--- /dev/null
+ATOM 1 N ASP E 18 50.694 21.325 -11.464 1.00 46.19 N
+ATOM 2 CA ASP E 18 52.162 21.072 -11.632 1.00 49.78 C
+ATOM 3 C ASP E 18 52.947 21.214 -10.318 1.00 50.12 C
+ATOM 4 O ASP E 18 53.684 20.307 -9.947 1.00 55.47 O
+ATOM 5 CB ASP E 18 52.773 21.958 -12.722 1.00 49.73 C
+ATOM 6 CG ASP E 18 53.786 21.216 -13.590 1.00 53.58 C
+ATOM 7 OD1 ASP E 18 54.041 20.005 -13.371 1.00 58.98 O
+ATOM 8 OD2 ASP E 18 54.321 21.846 -14.518 1.00 54.55 O
+ATOM 9 N TRP E 19 52.825 22.336 -9.615 1.00 45.66 N
+ATOM 10 CA TRP E 19 53.534 22.447 -8.343 1.00 39.13 C
+ATOM 11 C TRP E 19 52.881 21.497 -7.336 1.00 37.62 C
+ATOM 12 O TRP E 19 53.545 20.910 -6.499 1.00 37.61 O
+ATOM 13 CB TRP E 19 53.519 23.879 -7.775 1.00 33.89 C
+ATOM 14 CG TRP E 19 54.009 23.887 -6.364 1.00 26.00 C
+ATOM 15 CD1 TRP E 19 53.249 23.962 -5.231 1.00 27.80 C
+ATOM 16 CD2 TRP E 19 55.353 23.643 -5.928 1.00 24.02 C
+ATOM 17 NE1 TRP E 19 54.031 23.765 -4.118 1.00 28.11 N
+ATOM 18 CE2 TRP E 19 55.327 23.567 -4.516 1.00 25.03 C
+ATOM 19 CE3 TRP E 19 56.574 23.471 -6.594 1.00 17.97 C
+ATOM 20 CZ2 TRP E 19 56.476 23.328 -3.759 1.00 20.28 C
+ATOM 21 CZ3 TRP E 19 57.709 23.234 -5.844 1.00 17.51 C
+ATOM 22 CH2 TRP E 19 57.654 23.167 -4.441 1.00 16.45 C
+ATOM 23 N THR E 20 51.569 21.368 -7.413 1.00 39.35 N
+ATOM 24 CA THR E 20 50.842 20.500 -6.502 1.00 40.53 C
+ATOM 25 C THR E 20 51.158 19.027 -6.788 1.00 39.29 C
+ATOM 26 O THR E 20 51.161 18.189 -5.879 1.00 39.78 O
+ATOM 27 CB THR E 20 49.320 20.771 -6.627 1.00 45.65 C
+ATOM 28 OG1 THR E 20 49.054 22.161 -6.348 1.00 49.08 O
+ATOM 29 CG2 THR E 20 48.514 19.872 -5.688 1.00 48.23 C
+ATOM 30 N THR E 21 51.431 18.726 -8.057 1.00 36.83 N
+ATOM 31 CA THR E 21 51.753 17.364 -8.470 1.00 37.33 C
+ATOM 32 C THR E 21 53.226 17.048 -8.211 1.00 32.49 C
+ATOM 33 O THR E 21 53.548 15.980 -7.681 1.00 30.89 O
+ATOM 34 CB THR E 21 51.364 17.103 -9.951 1.00 38.41 C
+ATOM 35 OG1 THR E 21 51.312 18.344 -10.678 1.00 43.99 O
+ATOM 36 CG2 THR E 21 49.990 16.443 -10.023 1.00 42.28 C
+ATOM 37 N PHE E 22 54.094 17.999 -8.553 1.00 25.83 N
+ATOM 38 CA PHE E 22 55.528 17.899 -8.335 1.00 22.15 C
+ATOM 39 C PHE E 22 55.751 17.711 -6.845 1.00 23.16 C
+ATOM 40 O PHE E 22 56.421 16.782 -6.409 1.00 25.50 O
+ATOM 41 CB PHE E 22 56.197 19.197 -8.760 1.00 19.60 C
+ATOM 42 CG PHE E 22 57.693 19.179 -8.654 1.00 22.72 C
+ATOM 43 CD1 PHE E 22 58.453 18.298 -9.432 1.00 23.36 C
+ATOM 44 CD2 PHE E 22 58.358 20.077 -7.820 1.00 25.00 C
+ATOM 45 CE1 PHE E 22 59.850 18.308 -9.390 1.00 17.70 C
+ATOM 46 CE2 PHE E 22 59.765 20.101 -7.767 1.00 24.30 C
+ATOM 47 CZ PHE E 22 60.505 19.215 -8.554 1.00 25.31 C
+ATOM 48 N ARG E 23 55.151 18.595 -6.068 1.00 22.18 N
+ATOM 49 CA ARG E 23 55.258 18.565 -4.626 1.00 27.38 C
+ATOM 50 C ARG E 23 54.711 17.258 -4.103 1.00 31.48 C
+ATOM 51 O ARG E 23 55.163 16.747 -3.075 1.00 30.27 O
+ATOM 52 CB ARG E 23 54.479 19.733 -4.042 1.00 30.46 C
+ATOM 53 CG ARG E 23 54.389 19.756 -2.544 1.00 41.22 C
+ATOM 54 CD ARG E 23 53.079 20.390 -2.148 1.00 51.67 C
+ATOM 55 NE ARG E 23 51.970 19.720 -2.833 1.00 59.69 N
+ATOM 56 CZ ARG E 23 50.685 19.887 -2.541 1.00 61.82 C
+ATOM 57 NH1 ARG E 23 50.309 20.716 -1.569 1.00 59.87 N
+ATOM 58 NH2 ARG E 23 49.780 19.176 -3.197 1.00 63.71 N
+ATOM 59 N ARG E 24 53.728 16.723 -4.816 1.00 36.32 N
+ATOM 60 CA ARG E 24 53.115 15.460 -4.433 1.00 38.10 C
+ATOM 61 C ARG E 24 54.157 14.355 -4.560 1.00 32.35 C
+ATOM 62 O ARG E 24 54.645 13.855 -3.561 1.00 32.83 O
+ATOM 63 CB ARG E 24 51.901 15.154 -5.320 1.00 46.41 C
+ATOM 64 CG ARG E 24 51.223 13.814 -4.995 1.00 57.70 C
+ATOM 65 CD ARG E 24 50.007 13.549 -5.869 1.00 63.81 C
+ATOM 66 NE ARG E 24 48.985 14.576 -5.684 1.00 69.84 N
+ATOM 67 CZ ARG E 24 48.231 15.062 -6.664 1.00 72.85 C
+ATOM 68 NH1 ARG E 24 48.382 14.611 -7.906 1.00 73.95 N
+ATOM 69 NH2 ARG E 24 47.333 16.008 -6.406 1.00 75.78 N
+ATOM 70 N VAL E 25 54.544 14.050 -5.795 1.00 31.18 N
+ATOM 71 CA VAL E 25 55.536 13.010 -6.120 1.00 25.88 C
+ATOM 72 C VAL E 25 56.775 12.979 -5.238 1.00 22.02 C
+ATOM 73 O VAL E 25 57.229 11.915 -4.811 1.00 21.08 O
+ATOM 74 CB VAL E 25 56.088 13.188 -7.554 1.00 25.62 C
+ATOM 75 CG1 VAL E 25 57.028 12.052 -7.890 1.00 26.09 C
+ATOM 76 CG2 VAL E 25 54.958 13.306 -8.564 1.00 25.75 C
+ATOM 77 N PHE E 26 57.339 14.156 -5.013 1.00 15.74 N
+ATOM 78 CA PHE E 26 58.551 14.254 -4.261 1.00 13.66 C
+ATOM 79 C PHE E 26 58.412 14.565 -2.808 1.00 11.98 C
+ATOM 80 O PHE E 26 59.398 14.588 -2.090 1.00 13.16 O
+ATOM 81 CB PHE E 26 59.485 15.222 -4.954 1.00 11.93 C
+ATOM 82 CG PHE E 26 60.011 14.710 -6.268 1.00 20.20 C
+ATOM 83 CD1 PHE E 26 60.901 13.633 -6.309 1.00 21.61 C
+ATOM 84 CD2 PHE E 26 59.665 15.331 -7.470 1.00 24.24 C
+ATOM 85 CE1 PHE E 26 61.440 13.193 -7.529 1.00 20.74 C
+ATOM 86 CE2 PHE E 26 60.207 14.891 -8.700 1.00 21.42 C
+ATOM 87 CZ PHE E 26 61.094 13.825 -8.723 1.00 21.10 C
+ATOM 88 N LEU E 27 57.197 14.830 -2.358 1.00 15.17 N
+ATOM 89 CA LEU E 27 56.997 15.110 -0.940 1.00 18.48 C
+ATOM 90 C LEU E 27 57.830 16.320 -0.530 1.00 19.01 C
+ATOM 91 O LEU E 27 58.449 16.328 0.527 1.00 22.00 O
+ATOM 92 CB LEU E 27 57.448 13.889 -0.139 1.00 25.89 C
+ATOM 93 CG LEU E 27 56.524 13.117 0.804 1.00 34.46 C
+ATOM 94 CD1 LEU E 27 55.151 12.908 0.188 1.00 30.47 C
+ATOM 95 CD2 LEU E 27 57.197 11.780 1.152 1.00 30.41 C
+ATOM 96 N ILE E 28 57.846 17.336 -1.383 1.00 18.17 N
+ATOM 97 CA ILE E 28 58.595 18.568 -1.137 1.00 15.77 C
+ATOM 98 C ILE E 28 57.845 19.467 -0.164 1.00 13.60 C
+ATOM 99 O ILE E 28 56.636 19.589 -0.245 1.00 17.80 O
+ATOM 100 CB ILE E 28 58.790 19.366 -2.463 1.00 8.79 C
+ATOM 101 CG1 ILE E 28 59.407 18.476 -3.527 1.00 4.67 C
+ATOM 102 CG2 ILE E 28 59.736 20.535 -2.245 1.00 17.20 C
+ATOM 103 CD1 ILE E 28 59.717 19.159 -4.767 1.00 2.00 C
+ATOM 104 N ASP E 29 58.543 20.093 0.762 1.00 15.85 N
+ATOM 105 CA ASP E 29 57.877 20.999 1.692 1.00 21.61 C
+ATOM 106 C ASP E 29 57.502 22.315 0.966 1.00 24.87 C
+ATOM 107 O ASP E 29 58.284 22.839 0.164 1.00 25.79 O
+ATOM 108 CB ASP E 29 58.793 21.282 2.873 1.00 22.91 C
+ATOM 109 CG ASP E 29 58.141 22.147 3.926 1.00 30.25 C
+ATOM 110 OD1 ASP E 29 57.952 23.354 3.655 1.00 30.78 O
+ATOM 111 OD2 ASP E 29 57.831 21.623 5.028 1.00 35.34 O
+ATOM 112 N ASP E 30 56.346 22.885 1.302 1.00 24.03 N
+ATOM 113 CA ASP E 30 55.866 24.117 0.650 1.00 26.38 C
+ATOM 114 C ASP E 30 56.625 25.429 0.790 1.00 22.54 C
+ATOM 115 O ASP E 30 56.468 26.321 -0.035 1.00 19.63 O
+ATOM 116 CB ASP E 30 54.413 24.380 1.012 1.00 39.09 C
+ATOM 117 CG ASP E 30 53.464 23.832 -0.005 1.00 48.82 C
+ATOM 118 OD1 ASP E 30 53.770 23.950 -1.220 1.00 54.73 O
+ATOM 119 OD2 ASP E 30 52.417 23.287 0.418 1.00 57.21 O
+ATOM 120 N ALA E 31 57.363 25.575 1.883 1.00 18.51 N
+ATOM 121 CA ALA E 31 58.150 26.757 2.136 1.00 11.64 C
+ATOM 122 C ALA E 31 59.049 27.039 0.947 1.00 13.52 C
+ATOM 123 O ALA E 31 59.360 28.203 0.677 1.00 18.43 O
+ATOM 124 CB ALA E 31 58.983 26.549 3.353 1.00 9.95 C
+ATOM 125 N TRP E 32 59.472 25.971 0.254 1.00 11.88 N
+ATOM 126 CA TRP E 32 60.352 26.055 -0.907 1.00 7.76 C
+ATOM 127 C TRP E 32 59.658 26.342 -2.226 1.00 12.25 C
+ATOM 128 O TRP E 32 60.323 26.488 -3.255 1.00 16.93 O
+ATOM 129 CB TRP E 32 61.198 24.780 -1.021 1.00 2.24 C
+ATOM 130 CG TRP E 32 62.199 24.658 0.117 1.00 4.06 C
+ATOM 131 CD1 TRP E 32 61.939 24.218 1.391 1.00 5.11 C
+ATOM 132 CD2 TRP E 32 63.579 25.089 0.118 1.00 2.00 C
+ATOM 133 NE1 TRP E 32 63.056 24.367 2.185 1.00 5.11 N
+ATOM 134 CE2 TRP E 32 64.077 24.897 1.429 1.00 5.95 C
+ATOM 135 CE3 TRP E 32 64.437 25.626 -0.858 1.00 2.65 C
+ATOM 136 CZ2 TRP E 32 65.404 25.225 1.789 1.00 3.96 C
+ATOM 137 CZ3 TRP E 32 65.750 25.953 -0.501 1.00 2.01 C
+ATOM 138 CH2 TRP E 32 66.216 25.751 0.812 1.00 2.00 C
+ATOM 139 N ARG E 33 58.339 26.488 -2.218 1.00 14.48 N
+ATOM 140 CA ARG E 33 57.627 26.755 -3.466 1.00 16.58 C
+ATOM 141 C ARG E 33 58.157 27.912 -4.332 1.00 18.68 C
+ATOM 142 O ARG E 33 58.398 27.725 -5.528 1.00 22.50 O
+ATOM 143 CB ARG E 33 56.130 26.961 -3.238 1.00 19.82 C
+ATOM 144 CG ARG E 33 55.373 27.139 -4.565 1.00 29.52 C
+ATOM 145 CD ARG E 33 53.907 27.517 -4.391 1.00 32.79 C
+ATOM 146 NE ARG E 33 53.142 27.230 -5.604 1.00 37.04 N
+ATOM 147 CZ ARG E 33 51.874 26.828 -5.616 1.00 37.52 C
+ATOM 148 NH1 ARG E 33 51.198 26.677 -4.479 1.00 39.75 N
+ATOM 149 NH2 ARG E 33 51.316 26.461 -6.761 1.00 38.82 N
+ATOM 150 N PRO E 34 58.335 29.121 -3.749 1.00 17.41 N
+ATOM 151 CA PRO E 34 58.827 30.269 -4.515 1.00 14.29 C
+ATOM 152 C PRO E 34 60.152 30.146 -5.208 1.00 17.90 C
+ATOM 153 O PRO E 34 60.369 30.821 -6.201 1.00 21.79 O
+ATOM 154 CB PRO E 34 58.844 31.397 -3.486 1.00 13.74 C
+ATOM 155 CG PRO E 34 58.900 30.709 -2.176 1.00 14.24 C
+ATOM 156 CD PRO E 34 58.001 29.540 -2.375 1.00 15.90 C
+ATOM 157 N LEU E 35 61.037 29.291 -4.702 1.00 20.61 N
+ATOM 158 CA LEU E 35 62.373 29.113 -5.301 1.00 19.50 C
+ATOM 159 C LEU E 35 62.390 27.989 -6.328 1.00 19.10 C
+ATOM 160 O LEU E 35 63.154 28.008 -7.296 1.00 15.77 O
+ATOM 161 CB LEU E 35 63.419 28.825 -4.200 1.00 19.86 C
+ATOM 162 CG LEU E 35 63.551 29.796 -3.017 1.00 16.25 C
+ATOM 163 CD1 LEU E 35 64.343 29.168 -1.922 1.00 18.25 C
+ATOM 164 CD2 LEU E 35 64.214 31.074 -3.462 1.00 20.91 C
+ATOM 165 N MET E 36 61.509 27.023 -6.128 1.00 17.88 N
+ATOM 166 CA MET E 36 61.456 25.886 -7.020 1.00 19.69 C
+ATOM 167 C MET E 36 60.471 26.030 -8.152 1.00 18.66 C
+ATOM 168 O MET E 36 60.792 25.698 -9.299 1.00 20.07 O
+ATOM 169 CB MET E 36 61.144 24.603 -6.230 1.00 21.79 C
+ATOM 170 CG MET E 36 61.976 24.446 -4.963 1.00 22.61 C
+ATOM 171 SD MET E 36 62.098 22.785 -4.419 1.00 18.53 S
+ATOM 172 CE MET E 36 62.718 22.145 -5.888 1.00 17.59 C
+ATOM 173 N GLU E 37 59.271 26.508 -7.830 1.00 18.46 N
+ATOM 174 CA GLU E 37 58.205 26.655 -8.816 1.00 20.28 C
+ATOM 175 C GLU E 37 58.622 27.334 -10.123 1.00 19.35 C
+ATOM 176 O GLU E 37 58.316 26.862 -11.225 1.00 21.21 O
+ATOM 177 CB GLU E 37 57.010 27.360 -8.202 1.00 20.41 C
+ATOM 178 CG GLU E 37 55.908 27.624 -9.190 1.00 29.77 C
+ATOM 179 CD GLU E 37 54.613 28.033 -8.517 1.00 40.41 C
+ATOM 180 OE1 GLU E 37 54.668 28.836 -7.543 1.00 44.93 O
+ATOM 181 OE2 GLU E 37 53.544 27.533 -8.959 1.00 41.74 O
+ATOM 182 N PRO E 38 59.361 28.431 -10.025 1.00 14.93 N
+ATOM 183 CA PRO E 38 59.770 29.095 -11.266 1.00 15.50 C
+ATOM 184 C PRO E 38 60.554 28.199 -12.254 1.00 17.86 C
+ATOM 185 O PRO E 38 60.602 28.473 -13.458 1.00 19.14 O
+ATOM 186 CB PRO E 38 60.618 30.244 -10.744 1.00 11.51 C
+ATOM 187 CG PRO E 38 59.935 30.565 -9.421 1.00 7.88 C
+ATOM 188 CD PRO E 38 59.707 29.227 -8.834 1.00 7.16 C
+ATOM 189 N GLU E 39 61.142 27.121 -11.741 1.00 22.79 N
+ATOM 190 CA GLU E 39 61.960 26.195 -12.546 1.00 25.83 C
+ATOM 191 C GLU E 39 61.189 25.171 -13.374 1.00 26.76 C
+ATOM 192 O GLU E 39 61.682 24.737 -14.410 1.00 25.41 O
+ATOM 193 CB GLU E 39 62.968 25.450 -11.658 1.00 21.31 C
+ATOM 194 CG GLU E 39 64.077 26.300 -11.084 1.00 21.31 C
+ATOM 195 CD GLU E 39 65.089 26.686 -12.132 1.00 27.76 C
+ATOM 196 OE1 GLU E 39 65.278 25.911 -13.083 1.00 29.51 O
+ATOM 197 OE2 GLU E 39 65.706 27.760 -12.017 1.00 32.23 O
+ATOM 198 N LEU E 40 60.003 24.768 -12.912 1.00 28.45 N
+ATOM 199 CA LEU E 40 59.196 23.784 -13.632 1.00 27.45 C
+ATOM 200 C LEU E 40 58.889 24.270 -15.030 1.00 33.68 C
+ATOM 201 O LEU E 40 58.980 23.514 -16.006 1.00 38.33 O
+ATOM 202 CB LEU E 40 57.878 23.519 -12.912 1.00 23.53 C
+ATOM 203 CG LEU E 40 57.949 22.998 -11.487 1.00 22.82 C
+ATOM 204 CD1 LEU E 40 56.551 22.700 -10.975 1.00 20.71 C
+ATOM 205 CD2 LEU E 40 58.792 21.763 -11.455 1.00 24.74 C
+ATOM 206 N ALA E 41 58.568 25.556 -15.116 1.00 33.25 N
+ATOM 207 CA ALA E 41 58.214 26.190 -16.371 1.00 32.77 C
+ATOM 208 C ALA E 41 59.350 26.172 -17.387 1.00 33.58 C
+ATOM 209 O ALA E 41 59.158 26.568 -18.540 1.00 40.89 O
+ATOM 210 CB ALA E 41 57.722 27.596 -16.119 1.00 25.50 C
+ATOM 211 N ASN E 42 60.528 25.705 -16.985 1.00 31.43 N
+ATOM 212 CA ASN E 42 61.663 25.629 -17.912 1.00 34.02 C
+ATOM 213 C ASN E 42 61.491 24.325 -18.706 1.00 38.58 C
+ATOM 214 O ASN E 42 61.214 23.267 -18.138 1.00 40.05 O
+ATOM 215 CB ASN E 42 62.991 25.635 -17.134 1.00 29.76 C
+ATOM 216 CG ASN E 42 64.217 25.783 -18.034 1.00 36.02 C
+ATOM 217 OD1 ASN E 42 64.243 25.313 -19.176 1.00 43.04 O
+ATOM 218 ND2 ASN E 42 65.260 26.401 -17.500 1.00 32.57 N
+ATOM 219 N PRO E 43 61.580 24.389 -20.040 1.00 43.30 N
+ATOM 220 CA PRO E 43 61.416 23.136 -20.786 1.00 42.03 C
+ATOM 221 C PRO E 43 62.500 22.100 -20.442 1.00 39.59 C
+ATOM 222 O PRO E 43 62.277 20.890 -20.577 1.00 41.16 O
+ATOM 223 CB PRO E 43 61.494 23.594 -22.248 1.00 44.02 C
+ATOM 224 CG PRO E 43 62.383 24.828 -22.186 1.00 44.29 C
+ATOM 225 CD PRO E 43 61.830 25.524 -20.949 1.00 45.28 C
+ATOM 226 N LEU E 44 63.661 22.565 -19.987 1.00 33.68 N
+ATOM 227 CA LEU E 44 64.736 21.655 -19.631 1.00 28.21 C
+ATOM 228 C LEU E 44 64.467 20.909 -18.347 1.00 26.47 C
+ATOM 229 O LEU E 44 65.089 19.889 -18.077 1.00 24.82 O
+ATOM 230 CB LEU E 44 66.060 22.386 -19.536 1.00 33.38 C
+ATOM 231 CG LEU E 44 66.598 22.907 -20.872 1.00 39.98 C
+ATOM 232 CD1 LEU E 44 68.125 22.954 -20.793 1.00 40.01 C
+ATOM 233 CD2 LEU E 44 66.159 22.003 -22.036 1.00 39.85 C
+ATOM 234 N THR E 45 63.542 21.421 -17.554 1.00 24.62 N
+ATOM 235 CA THR E 45 63.170 20.780 -16.310 1.00 28.44 C
+ATOM 236 C THR E 45 62.236 19.616 -16.602 1.00 29.50 C
+ATOM 237 O THR E 45 62.394 18.530 -16.062 1.00 33.65 O
+ATOM 238 CB THR E 45 62.483 21.765 -15.387 1.00 26.50 C
+ATOM 239 OG1 THR E 45 63.416 22.797 -15.052 1.00 29.59 O
+ATOM 240 CG2 THR E 45 61.992 21.071 -14.125 1.00 26.56 C
+ATOM 241 N ALA E 46 61.273 19.848 -17.482 1.00 32.56 N
+ATOM 242 CA ALA E 46 60.314 18.832 -17.880 1.00 30.12 C
+ATOM 243 C ALA E 46 61.052 17.602 -18.390 1.00 30.27 C
+ATOM 244 O ALA E 46 60.745 16.477 -18.025 1.00 28.65 O
+ATOM 245 CB ALA E 46 59.448 19.390 -18.969 1.00 34.12 C
+ATOM 246 N HIS E 47 62.057 17.835 -19.215 1.00 31.99 N
+ATOM 247 CA HIS E 47 62.839 16.754 -19.778 1.00 37.82 C
+ATOM 248 C HIS E 47 63.675 16.051 -18.710 1.00 37.74 C
+ATOM 249 O HIS E 47 63.887 14.841 -18.790 1.00 39.17 O
+ATOM 250 CB HIS E 47 63.709 17.282 -20.921 1.00 48.43 C
+ATOM 251 CG HIS E 47 62.930 17.998 -21.990 1.00 60.75 C
+ATOM 252 ND1 HIS E 47 61.635 17.654 -22.329 1.00 63.17 N
+ATOM 253 CD2 HIS E 47 63.254 19.055 -22.776 1.00 63.48 C
+ATOM 254 CE1 HIS E 47 61.195 18.469 -23.272 1.00 64.34 C
+ATOM 255 NE2 HIS E 47 62.158 19.327 -23.561 1.00 65.95 N
+ATOM 256 N LEU E 48 64.144 16.814 -17.717 1.00 35.82 N
+ATOM 257 CA LEU E 48 64.926 16.270 -16.603 1.00 27.97 C
+ATOM 258 C LEU E 48 64.030 15.284 -15.854 1.00 26.96 C
+ATOM 259 O LEU E 48 64.412 14.139 -15.636 1.00 27.79 O
+ATOM 260 CB LEU E 48 65.377 17.397 -15.660 1.00 24.82 C
+ATOM 261 CG LEU E 48 65.795 17.069 -14.218 1.00 16.88 C
+ATOM 262 CD1 LEU E 48 67.065 16.299 -14.208 1.00 14.56 C
+ATOM 263 CD2 LEU E 48 65.965 18.339 -13.417 1.00 14.35 C
+ATOM 264 N LEU E 49 62.817 15.712 -15.513 1.00 23.45 N
+ATOM 265 CA LEU E 49 61.897 14.837 -14.809 1.00 22.27 C
+ATOM 266 C LEU E 49 61.577 13.620 -15.668 1.00 22.28 C
+ATOM 267 O LEU E 49 61.445 12.509 -15.164 1.00 21.02 O
+ATOM 268 CB LEU E 49 60.604 15.572 -14.417 1.00 25.34 C
+ATOM 269 CG LEU E 49 60.517 16.354 -13.084 1.00 29.80 C
+ATOM 270 CD1 LEU E 49 61.037 15.497 -11.945 1.00 36.02 C
+ATOM 271 CD2 LEU E 49 61.292 17.646 -13.103 1.00 32.38 C
+ATOM 272 N ALA E 50 61.519 13.815 -16.979 1.00 19.87 N
+ATOM 273 CA ALA E 50 61.210 12.707 -17.872 1.00 20.32 C
+ATOM 274 C ALA E 50 62.316 11.688 -17.818 1.00 17.90 C
+ATOM 275 O ALA E 50 62.060 10.511 -17.652 1.00 20.03 O
+ATOM 276 CB ALA E 50 61.029 13.191 -19.288 1.00 20.53 C
+ATOM 277 N GLU E 51 63.546 12.163 -17.911 1.00 16.87 N
+ATOM 278 CA GLU E 51 64.723 11.319 -17.887 1.00 17.03 C
+ATOM 279 C GLU E 51 64.864 10.591 -16.546 1.00 17.81 C
+ATOM 280 O GLU E 51 65.367 9.475 -16.469 1.00 17.20 O
+ATOM 281 CB GLU E 51 65.948 12.185 -18.167 1.00 18.69 C
+ATOM 282 CG GLU E 51 67.182 11.404 -18.524 1.00 26.86 C
+ATOM 283 CD GLU E 51 66.876 10.285 -19.487 1.00 34.99 C
+ATOM 284 OE1 GLU E 51 66.194 10.539 -20.516 1.00 39.47 O
+ATOM 285 OE2 GLU E 51 67.301 9.142 -19.198 1.00 35.17 O
+ATOM 286 N TYR E 52 64.415 11.233 -15.480 1.00 18.90 N
+ATOM 287 CA TYR E 52 64.473 10.639 -14.159 1.00 13.76 C
+ATOM 288 C TYR E 52 63.497 9.456 -14.115 1.00 16.04 C
+ATOM 289 O TYR E 52 63.874 8.347 -13.762 1.00 22.87 O
+ATOM 290 CB TYR E 52 64.103 11.694 -13.126 1.00 5.50 C
+ATOM 291 CG TYR E 52 63.753 11.129 -11.793 1.00 5.90 C
+ATOM 292 CD1 TYR E 52 64.728 10.563 -10.994 1.00 5.79 C
+ATOM 293 CD2 TYR E 52 62.450 11.161 -11.323 1.00 4.87 C
+ATOM 294 CE1 TYR E 52 64.436 10.039 -9.754 1.00 3.72 C
+ATOM 295 CE2 TYR E 52 62.133 10.640 -10.084 1.00 10.14 C
+ATOM 296 CZ TYR E 52 63.144 10.073 -9.299 1.00 7.73 C
+ATOM 297 OH TYR E 52 62.871 9.510 -8.068 1.00 9.11 O
+ATOM 298 N ASN E 53 62.257 9.688 -14.525 1.00 22.81 N
+ATOM 299 CA ASN E 53 61.220 8.650 -14.526 1.00 27.91 C
+ATOM 300 C ASN E 53 61.456 7.450 -15.490 1.00 27.10 C
+ATOM 301 O ASN E 53 61.065 6.316 -15.197 1.00 25.43 O
+ATOM 302 CB ASN E 53 59.846 9.301 -14.738 1.00 31.39 C
+ATOM 303 CG ASN E 53 59.495 10.302 -13.621 1.00 43.12 C
+ATOM 304 OD1 ASN E 53 59.214 9.919 -12.482 1.00 49.19 O
+ATOM 305 ND2 ASN E 53 59.530 11.588 -13.945 1.00 46.36 N
+ATOM 306 N ARG E 54 62.083 7.697 -16.638 1.00 24.29 N
+ATOM 307 CA ARG E 54 62.395 6.637 -17.572 1.00 22.66 C
+ATOM 308 C ARG E 54 63.476 5.760 -16.929 1.00 24.41 C
+ATOM 309 O ARG E 54 63.545 4.548 -17.168 1.00 30.66 O
+ATOM 310 CB ARG E 54 62.918 7.227 -18.881 1.00 21.93 C
+ATOM 311 CG ARG E 54 61.878 7.405 -20.006 1.00 35.93 C
+ATOM 312 CD ARG E 54 60.696 8.353 -19.676 1.00 46.13 C
+ATOM 313 NE ARG E 54 59.635 7.728 -18.874 1.00 57.80 N
+ATOM 314 CZ ARG E 54 58.844 8.392 -18.023 1.00 61.73 C
+ATOM 315 NH1 ARG E 54 58.990 9.702 -17.855 1.00 63.24 N
+ATOM 316 NH2 ARG E 54 57.886 7.756 -17.350 1.00 59.80 N
+ATOM 317 N ARG E 55 64.313 6.369 -16.098 1.00 22.53 N
+ATOM 318 CA ARG E 55 65.386 5.648 -15.439 1.00 18.21 C
+ATOM 319 C ARG E 55 64.996 4.760 -14.272 1.00 17.96 C
+ATOM 320 O ARG E 55 65.538 3.677 -14.106 1.00 16.90 O
+ATOM 321 CB ARG E 55 66.493 6.613 -15.045 1.00 17.91 C
+ATOM 322 CG ARG E 55 67.366 6.937 -16.227 1.00 19.85 C
+ATOM 323 CD ARG E 55 68.457 7.877 -15.885 1.00 25.99 C
+ATOM 324 NE ARG E 55 68.922 8.530 -17.097 1.00 36.21 N
+ATOM 325 CZ ARG E 55 70.025 8.202 -17.762 1.00 41.50 C
+ATOM 326 NH1 ARG E 55 70.814 7.221 -17.335 1.00 46.25 N
+ATOM 327 NH2 ARG E 55 70.323 8.841 -18.883 1.00 44.73 N
+ATOM 328 N CYS E 56 64.069 5.213 -13.449 1.00 15.80 N
+ATOM 329 CA CYS E 56 63.630 4.411 -12.321 1.00 16.02 C
+ATOM 330 C CYS E 56 62.967 3.089 -12.752 1.00 17.87 C
+ATOM 331 O CYS E 56 62.755 2.184 -11.932 1.00 23.83 O
+ATOM 332 CB CYS E 56 62.657 5.220 -11.468 1.00 16.58 C
+ATOM 333 SG CYS E 56 63.383 6.681 -10.795 1.00 17.53 S
+ATOM 334 N GLN E 57 62.635 2.992 -14.038 1.00 17.71 N
+ATOM 335 CA GLN E 57 61.975 1.829 -14.607 1.00 15.58 C
+ATOM 336 C GLN E 57 62.937 0.711 -14.986 1.00 17.98 C
+ATOM 337 O GLN E 57 62.532 -0.435 -15.101 1.00 21.44 O
+ATOM 338 CB GLN E 57 61.181 2.236 -15.859 1.00 15.86 C
+ATOM 339 CG GLN E 57 59.982 3.167 -15.643 1.00 18.95 C
+ATOM 340 CD GLN E 57 59.242 3.484 -16.931 1.00 21.07 C
+ATOM 341 OE1 GLN E 57 58.849 2.583 -17.669 1.00 22.28 O
+ATOM 342 NE2 GLN E 57 59.074 4.767 -17.220 1.00 18.25 N
+ATOM 343 N THR E 58 64.190 1.046 -15.250 1.00 17.36 N
+ATOM 344 CA THR E 58 65.172 0.044 -15.632 1.00 15.36 C
+ATOM 345 C THR E 58 66.430 0.059 -14.784 1.00 13.66 C
+ATOM 346 O THR E 58 67.398 -0.636 -15.086 1.00 14.57 O
+ATOM 347 CB THR E 58 65.578 0.188 -17.105 1.00 22.90 C
+ATOM 348 OG1 THR E 58 65.705 1.582 -17.452 1.00 34.93 O
+ATOM 349 CG2 THR E 58 64.552 -0.482 -18.005 1.00 27.62 C
+ATOM 350 N GLU E 59 66.447 0.896 -13.756 1.00 12.41 N
+ATOM 351 CA GLU E 59 67.591 0.953 -12.866 1.00 8.70 C
+ATOM 352 C GLU E 59 67.243 1.293 -11.467 1.00 5.06 C
+ATOM 353 O GLU E 59 66.215 1.879 -11.207 1.00 9.33 O
+ATOM 354 CB GLU E 59 68.696 1.862 -13.374 1.00 8.17 C
+ATOM 355 CG GLU E 59 68.373 3.274 -13.650 1.00 9.79 C
+ATOM 356 CD GLU E 59 69.452 3.891 -14.512 1.00 12.89 C
+ATOM 357 OE1 GLU E 59 69.809 3.306 -15.552 1.00 13.26 O
+ATOM 358 OE2 GLU E 59 69.954 4.959 -14.161 1.00 12.45 O
+ATOM 359 N GLU E 60 68.022 0.755 -10.554 1.00 8.70 N
+ATOM 360 CA GLU E 60 67.833 1.020 -9.140 1.00 13.07 C
+ATOM 361 C GLU E 60 68.444 2.411 -8.860 1.00 7.70 C
+ATOM 362 O GLU E 60 69.656 2.626 -8.985 1.00 3.99 O
+ATOM 363 CB GLU E 60 68.517 -0.063 -8.316 1.00 15.94 C
+ATOM 364 CG GLU E 60 68.750 0.343 -6.897 1.00 24.87 C
+ATOM 365 CD GLU E 60 68.983 -0.832 -6.000 1.00 27.89 C
+ATOM 366 OE1 GLU E 60 69.581 -1.822 -6.469 1.00 33.61 O
+ATOM 367 OE2 GLU E 60 68.549 -0.774 -4.826 1.00 32.65 O
+ATOM 368 N VAL E 61 67.580 3.357 -8.546 1.00 5.26 N
+ATOM 369 CA VAL E 61 68.003 4.718 -8.310 1.00 9.98 C
+ATOM 370 C VAL E 61 67.986 5.082 -6.847 1.00 11.37 C
+ATOM 371 O VAL E 61 67.037 4.797 -6.125 1.00 13.32 O
+ATOM 372 CB VAL E 61 67.143 5.706 -9.113 1.00 12.79 C
+ATOM 373 CG1 VAL E 61 67.560 7.135 -8.814 1.00 6.22 C
+ATOM 374 CG2 VAL E 61 67.244 5.382 -10.633 1.00 7.30 C
+ATOM 375 N LEU E 62 69.068 5.717 -6.440 1.00 8.33 N
+ATOM 376 CA LEU E 62 69.300 6.151 -5.094 1.00 6.25 C
+ATOM 377 C LEU E 62 69.461 7.676 -5.114 1.00 10.15 C
+ATOM 378 O LEU E 62 70.006 8.252 -6.070 1.00 9.01 O
+ATOM 379 CB LEU E 62 70.603 5.513 -4.592 1.00 8.15 C
+ATOM 380 CG LEU E 62 70.679 4.100 -3.974 1.00 11.56 C
+ATOM 381 CD1 LEU E 62 69.400 3.287 -4.160 1.00 2.01 C
+ATOM 382 CD2 LEU E 62 71.915 3.391 -4.503 1.00 4.42 C
+ATOM 383 N PRO E 63 68.970 8.350 -4.066 1.00 9.06 N
+ATOM 384 CA PRO E 63 68.305 7.660 -2.957 1.00 10.10 C
+ATOM 385 C PRO E 63 66.827 7.478 -3.307 1.00 11.27 C
+ATOM 386 O PRO E 63 66.403 7.835 -4.404 1.00 7.20 O
+ATOM 387 CB PRO E 63 68.543 8.614 -1.780 1.00 8.19 C
+ATOM 388 CG PRO E 63 68.500 9.965 -2.428 1.00 4.72 C
+ATOM 389 CD PRO E 63 69.188 9.776 -3.761 1.00 7.09 C
+ATOM 390 N PRO E 64 66.060 6.797 -2.448 1.00 12.97 N
+ATOM 391 CA PRO E 64 64.638 6.581 -2.698 1.00 10.04 C
+ATOM 392 C PRO E 64 63.946 7.902 -3.011 1.00 14.84 C
+ATOM 393 O PRO E 64 64.330 8.965 -2.501 1.00 17.01 O
+ATOM 394 CB PRO E 64 64.162 6.016 -1.367 1.00 8.33 C
+ATOM 395 CG PRO E 64 65.271 5.159 -0.982 1.00 3.10 C
+ATOM 396 CD PRO E 64 66.482 6.035 -1.262 1.00 10.19 C
+ATOM 397 N ARG E 65 62.909 7.814 -3.838 1.00 19.67 N
+ATOM 398 CA ARG E 65 62.118 8.964 -4.256 1.00 22.13 C
+ATOM 399 C ARG E 65 61.734 9.875 -3.097 1.00 23.04 C
+ATOM 400 O ARG E 65 61.775 11.080 -3.251 1.00 27.54 O
+ATOM 401 CB ARG E 65 60.850 8.482 -4.973 1.00 25.69 C
+ATOM 402 CG ARG E 65 59.908 9.583 -5.453 1.00 31.42 C
+ATOM 403 CD ARG E 65 58.515 9.060 -5.926 1.00 40.54 C
+ATOM 404 NE ARG E 65 58.470 8.223 -7.139 1.00 42.33 N
+ATOM 405 CZ ARG E 65 59.325 8.263 -8.166 1.00 44.40 C
+ATOM 406 NH1 ARG E 65 60.357 9.088 -8.196 1.00 49.59 N
+ATOM 407 NH2 ARG E 65 59.110 7.504 -9.223 1.00 47.00 N
+ATOM 408 N GLU E 66 61.357 9.310 -1.949 1.00 20.25 N
+ATOM 409 CA GLU E 66 60.951 10.120 -0.785 1.00 20.79 C
+ATOM 410 C GLU E 66 62.105 10.907 -0.193 1.00 20.40 C
+ATOM 411 O GLU E 66 61.886 11.861 0.534 1.00 21.26 O
+ATOM 412 CB GLU E 66 60.379 9.269 0.359 1.00 28.49 C
+ATOM 413 CG GLU E 66 59.491 8.110 -0.036 1.00 40.12 C
+ATOM 414 CD GLU E 66 60.287 6.861 -0.353 1.00 44.12 C
+ATOM 415 OE1 GLU E 66 60.924 6.304 0.588 1.00 44.59 O
+ATOM 416 OE2 GLU E 66 60.270 6.455 -1.544 1.00 42.03 O
+ATOM 417 N ASP E 67 63.327 10.447 -0.413 1.00 14.60 N
+ATOM 418 CA ASP E 67 64.471 11.139 0.120 1.00 8.15 C
+ATOM 419 C ASP E 67 65.125 12.150 -0.830 1.00 11.52 C
+ATOM 420 O ASP E 67 65.808 13.071 -0.365 1.00 9.85 O
+ATOM 421 CB ASP E 67 65.495 10.124 0.566 1.00 12.10 C
+ATOM 422 CG ASP E 67 65.024 9.308 1.736 1.00 16.73 C
+ATOM 423 OD1 ASP E 67 64.268 9.866 2.553 1.00 16.99 O
+ATOM 424 OD2 ASP E 67 65.417 8.119 1.848 1.00 19.08 O
+ATOM 425 N VAL E 68 64.905 12.016 -2.141 1.00 3.15 N
+ATOM 426 CA VAL E 68 65.530 12.927 -3.101 1.00 5.81 C
+ATOM 427 C VAL E 68 65.469 14.434 -2.717 1.00 10.10 C
+ATOM 428 O VAL E 68 66.408 15.187 -2.965 1.00 10.46 O
+ATOM 429 CB VAL E 68 64.994 12.699 -4.533 1.00 2.89 C
+ATOM 430 CG1 VAL E 68 65.640 13.644 -5.489 1.00 2.01 C
+ATOM 431 CG2 VAL E 68 65.236 11.280 -4.978 1.00 2.00 C
+ATOM 432 N PHE E 69 64.397 14.863 -2.061 1.00 12.34 N
+ATOM 433 CA PHE E 69 64.267 16.266 -1.667 1.00 8.81 C
+ATOM 434 C PHE E 69 64.096 16.429 -0.168 1.00 10.03 C
+ATOM 435 O PHE E 69 63.421 17.358 0.277 1.00 10.09 O
+ATOM 436 CB PHE E 69 63.080 16.935 -2.377 1.00 5.69 C
+ATOM 437 CG PHE E 69 63.347 17.285 -3.819 1.00 8.18 C
+ATOM 438 CD1 PHE E 69 63.973 18.489 -4.152 1.00 5.46 C
+ATOM 439 CD2 PHE E 69 63.015 16.390 -4.848 1.00 4.57 C
+ATOM 440 CE1 PHE E 69 64.266 18.784 -5.475 1.00 4.81 C
+ATOM 441 CE2 PHE E 69 63.304 16.686 -6.174 1.00 2.00 C
+ATOM 442 CZ PHE E 69 63.931 17.879 -6.491 1.00 4.22 C
+ATOM 443 N SER E 70 64.734 15.574 0.628 1.00 8.06 N
+ATOM 444 CA SER E 70 64.574 15.716 2.071 1.00 9.70 C
+ATOM 445 C SER E 70 65.248 16.983 2.597 1.00 13.51 C
+ATOM 446 O SER E 70 64.974 17.421 3.721 1.00 14.22 O
+ATOM 447 CB SER E 70 65.085 14.495 2.813 1.00 7.25 C
+ATOM 448 OG SER E 70 66.476 14.453 2.768 1.00 8.38 O
+ATOM 449 N TRP E 71 66.077 17.611 1.764 1.00 12.50 N
+ATOM 450 CA TRP E 71 66.757 18.835 2.168 1.00 12.67 C
+ATOM 451 C TRP E 71 65.809 20.017 2.290 1.00 12.09 C
+ATOM 452 O TRP E 71 66.120 20.984 3.010 1.00 13.97 O
+ATOM 453 CB TRP E 71 67.904 19.176 1.221 1.00 10.17 C
+ATOM 454 CG TRP E 71 67.528 19.146 -0.201 1.00 5.66 C
+ATOM 455 CD1 TRP E 71 67.631 18.082 -1.047 1.00 6.97 C
+ATOM 456 CD2 TRP E 71 67.093 20.252 -0.993 1.00 5.73 C
+ATOM 457 NE1 TRP E 71 67.301 18.465 -2.326 1.00 9.26 N
+ATOM 458 CE2 TRP E 71 66.975 19.796 -2.321 1.00 9.89 C
+ATOM 459 CE3 TRP E 71 66.798 21.588 -0.713 1.00 2.57 C
+ATOM 460 CZ2 TRP E 71 66.585 20.640 -3.377 1.00 8.62 C
+ATOM 461 CZ3 TRP E 71 66.402 22.424 -1.769 1.00 7.80 C
+ATOM 462 CH2 TRP E 71 66.304 21.945 -3.081 1.00 2.00 C
+ATOM 463 N THR E 72 64.656 19.924 1.622 1.00 7.19 N
+ATOM 464 CA THR E 72 63.653 20.983 1.665 1.00 4.37 C
+ATOM 465 C THR E 72 62.800 20.876 2.914 1.00 6.91 C
+ATOM 466 O THR E 72 62.032 21.791 3.237 1.00 11.33 O
+ATOM 467 CB THR E 72 62.666 20.927 0.462 1.00 5.76 C
+ATOM 468 OG1 THR E 72 61.842 19.750 0.553 1.00 8.18 O
+ATOM 469 CG2 THR E 72 63.414 20.954 -0.874 1.00 4.26 C
+ATOM 470 N ARG E 73 63.000 19.798 3.659 1.00 10.76 N
+ATOM 471 CA ARG E 73 62.203 19.527 4.834 1.00 7.85 C
+ATOM 472 C ARG E 73 62.725 19.862 6.194 1.00 10.79 C
+ATOM 473 O ARG E 73 61.935 19.851 7.128 1.00 19.63 O
+ATOM 474 CB ARG E 73 61.820 18.056 4.862 1.00 10.84 C
+ATOM 475 CG ARG E 73 61.030 17.611 3.662 1.00 12.48 C
+ATOM 476 CD ARG E 73 60.626 16.164 3.834 1.00 16.14 C
+ATOM 477 NE ARG E 73 60.423 15.573 2.528 1.00 19.05 N
+ATOM 478 CZ ARG E 73 60.946 14.420 2.129 1.00 20.47 C
+ATOM 479 NH1 ARG E 73 61.701 13.678 2.960 1.00 11.20 N
+ATOM 480 NH2 ARG E 73 60.814 14.094 0.843 1.00 17.53 N
+ATOM 481 N TYR E 74 64.025 20.090 6.361 1.00 8.18 N
+ATOM 482 CA TYR E 74 64.543 20.377 7.701 1.00 3.73 C
+ATOM 483 C TYR E 74 64.499 21.817 8.156 1.00 6.09 C
+ATOM 484 O TYR E 74 64.515 22.080 9.356 1.00 8.65 O
+ATOM 485 CB TYR E 74 65.946 19.849 7.855 1.00 7.37 C
+ATOM 486 CG TYR E 74 66.013 18.377 7.662 1.00 6.01 C
+ATOM 487 CD1 TYR E 74 65.757 17.510 8.712 1.00 10.05 C
+ATOM 488 CD2 TYR E 74 66.320 17.847 6.431 1.00 2.00 C
+ATOM 489 CE1 TYR E 74 65.805 16.143 8.524 1.00 10.17 C
+ATOM 490 CE2 TYR E 74 66.370 16.497 6.235 1.00 10.24 C
+ATOM 491 CZ TYR E 74 66.111 15.646 7.283 1.00 10.36 C
+ATOM 492 OH TYR E 74 66.169 14.290 7.072 1.00 23.32 O
+ATOM 493 N CYS E 75 64.507 22.752 7.212 1.00 7.75 N
+ATOM 494 CA CYS E 75 64.432 24.176 7.542 1.00 10.92 C
+ATOM 495 C CYS E 75 63.893 24.926 6.324 1.00 12.88 C
+ATOM 496 O CYS E 75 63.952 24.423 5.196 1.00 17.48 O
+ATOM 497 CB CYS E 75 65.808 24.718 7.910 1.00 11.98 C
+ATOM 498 SG CYS E 75 66.871 24.881 6.467 1.00 21.31 S
+ATOM 499 N THR E 76 63.371 26.124 6.541 1.00 10.73 N
+ATOM 500 CA THR E 76 62.834 26.920 5.439 1.00 13.26 C
+ATOM 501 C THR E 76 63.955 27.717 4.739 1.00 11.21 C
+ATOM 502 O THR E 76 65.054 27.844 5.282 1.00 16.51 O
+ATOM 503 CB THR E 76 61.705 27.841 5.964 1.00 18.51 C
+ATOM 504 OG1 THR E 76 62.212 28.714 6.992 1.00 24.16 O
+ATOM 505 CG2 THR E 76 60.578 26.996 6.560 1.00 13.97 C
+ATOM 506 N PRO E 77 63.710 28.223 3.509 1.00 7.90 N
+ATOM 507 CA PRO E 77 64.742 28.993 2.800 1.00 7.41 C
+ATOM 508 C PRO E 77 65.252 30.200 3.608 1.00 11.93 C
+ATOM 509 O PRO E 77 66.367 30.688 3.414 1.00 21.27 O
+ATOM 510 CB PRO E 77 64.019 29.486 1.551 1.00 3.69 C
+ATOM 511 CG PRO E 77 62.931 28.549 1.330 1.00 5.61 C
+ATOM 512 CD PRO E 77 62.480 28.108 2.705 1.00 10.83 C
+ATOM 513 N ASP E 78 64.410 30.700 4.500 1.00 15.70 N
+ATOM 514 CA ASP E 78 64.747 31.861 5.298 1.00 12.46 C
+ATOM 515 C ASP E 78 65.533 31.519 6.503 1.00 14.19 C
+ATOM 516 O ASP E 78 66.217 32.368 7.032 1.00 16.83 O
+ATOM 517 CB ASP E 78 63.499 32.619 5.686 1.00 15.86 C
+ATOM 518 CG ASP E 78 62.826 33.276 4.490 1.00 25.33 C
+ATOM 519 OD1 ASP E 78 63.552 33.612 3.524 1.00 29.72 O
+ATOM 520 OD2 ASP E 78 61.583 33.469 4.520 1.00 27.30 O
+ATOM 521 N GLU E 79 65.411 30.287 6.953 1.00 9.76 N
+ATOM 522 CA GLU E 79 66.157 29.821 8.101 1.00 14.21 C
+ATOM 523 C GLU E 79 67.607 29.457 7.732 1.00 10.70 C
+ATOM 524 O GLU E 79 68.428 29.246 8.626 1.00 15.84 O
+ATOM 525 CB GLU E 79 65.541 28.542 8.656 1.00 18.35 C
+ATOM 526 CG GLU E 79 64.257 28.642 9.446 1.00 23.15 C
+ATOM 527 CD GLU E 79 63.732 27.240 9.780 1.00 29.79 C
+ATOM 528 OE1 GLU E 79 64.471 26.439 10.413 1.00 29.99 O
+ATOM 529 OE2 GLU E 79 62.601 26.924 9.363 1.00 30.06 O
+ATOM 530 N VAL E 80 67.898 29.308 6.443 1.00 9.85 N
+ATOM 531 CA VAL E 80 69.227 28.895 5.975 1.00 7.65 C
+ATOM 532 C VAL E 80 70.352 29.871 6.358 1.00 9.05 C
+ATOM 533 O VAL E 80 70.176 31.079 6.265 1.00 12.84 O
+ATOM 534 CB VAL E 80 69.210 28.604 4.441 1.00 2.00 C
+ATOM 535 CG1 VAL E 80 70.580 28.304 3.928 1.00 2.00 C
+ATOM 536 CG2 VAL E 80 68.260 27.448 4.150 1.00 2.00 C
+ATOM 537 N ARG E 81 71.476 29.333 6.846 1.00 6.47 N
+ATOM 538 CA ARG E 81 72.625 30.126 7.264 1.00 5.64 C
+ATOM 539 C ARG E 81 73.915 29.736 6.526 1.00 2.03 C
+ATOM 540 O ARG E 81 74.708 30.594 6.102 1.00 2.00 O
+ATOM 541 CB ARG E 81 72.794 30.021 8.790 1.00 2.00 C
+ATOM 542 CG ARG E 81 71.588 30.600 9.519 1.00 4.11 C
+ATOM 543 CD ARG E 81 71.740 30.719 11.018 1.00 12.46 C
+ATOM 544 NE ARG E 81 71.604 29.458 11.743 1.00 22.75 N
+ATOM 545 CZ ARG E 81 71.772 29.326 13.063 1.00 30.33 C
+ATOM 546 NH1 ARG E 81 72.080 30.393 13.799 1.00 27.32 N
+ATOM 547 NH2 ARG E 81 71.643 28.130 13.656 1.00 25.31 N
+ATOM 548 N VAL E 82 74.079 28.442 6.297 1.00 2.01 N
+ATOM 549 CA VAL E 82 75.274 27.934 5.634 1.00 2.00 C
+ATOM 550 C VAL E 82 74.861 26.971 4.518 1.00 2.00 C
+ATOM 551 O VAL E 82 73.928 26.205 4.686 1.00 5.64 O
+ATOM 552 CB VAL E 82 76.186 27.186 6.663 1.00 3.00 C
+ATOM 553 CG1 VAL E 82 77.469 26.714 6.010 1.00 6.02 C
+ATOM 554 CG2 VAL E 82 76.518 28.081 7.865 1.00 2.00 C
+ATOM 555 N VAL E 83 75.525 27.022 3.371 1.00 2.00 N
+ATOM 556 CA VAL E 83 75.194 26.126 2.277 1.00 2.00 C
+ATOM 557 C VAL E 83 76.435 25.335 1.957 1.00 2.00 C
+ATOM 558 O VAL E 83 77.436 25.931 1.605 1.00 2.93 O
+ATOM 559 CB VAL E 83 74.808 26.907 1.001 1.00 2.00 C
+ATOM 560 CG1 VAL E 83 74.526 25.957 -0.145 1.00 2.00 C
+ATOM 561 CG2 VAL E 83 73.622 27.819 1.272 1.00 2.00 C
+ATOM 562 N ILE E 84 76.397 24.019 2.112 1.00 2.02 N
+ATOM 563 CA ILE E 84 77.550 23.200 1.780 1.00 2.00 C
+ATOM 564 C ILE E 84 77.154 22.402 0.527 1.00 4.48 C
+ATOM 565 O ILE E 84 76.080 21.798 0.500 1.00 9.39 O
+ATOM 566 CB ILE E 84 77.944 22.253 2.935 1.00 2.00 C
+ATOM 567 CG1 ILE E 84 78.227 23.066 4.198 1.00 2.00 C
+ATOM 568 CG2 ILE E 84 79.195 21.492 2.580 1.00 2.00 C
+ATOM 569 CD1 ILE E 84 78.428 22.242 5.440 1.00 2.00 C
+ATOM 570 N ILE E 85 77.984 22.455 -0.520 1.00 2.88 N
+ATOM 571 CA ILE E 85 77.726 21.773 -1.795 1.00 4.21 C
+ATOM 572 C ILE E 85 78.463 20.419 -1.951 1.00 9.32 C
+ATOM 573 O ILE E 85 79.614 20.244 -1.506 1.00 10.94 O
+ATOM 574 CB ILE E 85 78.082 22.727 -2.987 1.00 2.11 C
+ATOM 575 CG1 ILE E 85 77.211 23.984 -2.926 1.00 5.03 C
+ATOM 576 CG2 ILE E 85 77.906 22.051 -4.346 1.00 2.00 C
+ATOM 577 CD1 ILE E 85 75.750 23.746 -3.151 1.00 2.00 C
+ATOM 578 N GLY E 86 77.772 19.453 -2.546 1.00 7.63 N
+ATOM 579 CA GLY E 86 78.351 18.149 -2.770 1.00 6.94 C
+ATOM 580 C GLY E 86 78.197 17.812 -4.232 1.00 5.02 C
+ATOM 581 O GLY E 86 77.709 18.627 -4.982 1.00 8.06 O
+ATOM 582 N GLN E 87 78.625 16.630 -4.644 1.00 5.85 N
+ATOM 583 CA GLN E 87 78.503 16.200 -6.036 1.00 7.44 C
+ATOM 584 C GLN E 87 77.263 15.301 -6.155 1.00 9.38 C
+ATOM 585 O GLN E 87 76.141 15.799 -6.081 1.00 17.53 O
+ATOM 586 CB GLN E 87 79.785 15.483 -6.480 1.00 9.02 C
+ATOM 587 CG GLN E 87 80.995 16.397 -6.477 1.00 10.50 C
+ATOM 588 CD GLN E 87 82.303 15.681 -6.695 1.00 16.62 C
+ATOM 589 OE1 GLN E 87 82.342 14.472 -6.905 1.00 19.89 O
+ATOM 590 NE2 GLN E 87 83.393 16.430 -6.648 1.00 14.62 N
+ATOM 591 N ASP E 88 77.442 13.989 -6.294 1.00 8.19 N
+ATOM 592 CA ASP E 88 76.302 13.074 -6.389 1.00 8.90 C
+ATOM 593 C ASP E 88 76.133 12.226 -5.143 1.00 3.67 C
+ATOM 594 O ASP E 88 77.068 12.079 -4.354 1.00 6.93 O
+ATOM 595 CB ASP E 88 76.355 12.215 -7.661 1.00 13.89 C
+ATOM 596 CG ASP E 88 77.549 11.301 -7.721 1.00 11.06 C
+ATOM 597 OD1 ASP E 88 78.535 11.495 -6.976 1.00 12.75 O
+ATOM 598 OD2 ASP E 88 77.498 10.387 -8.563 1.00 12.63 O
+ATOM 599 N PRO E 89 74.950 11.623 -4.960 1.00 2.00 N
+ATOM 600 CA PRO E 89 74.804 10.831 -3.751 1.00 2.21 C
+ATOM 601 C PRO E 89 75.597 9.540 -3.741 1.00 4.95 C
+ATOM 602 O PRO E 89 76.004 9.053 -4.796 1.00 7.44 O
+ATOM 603 CB PRO E 89 73.299 10.601 -3.685 1.00 3.85 C
+ATOM 604 CG PRO E 89 72.893 10.559 -5.056 1.00 2.00 C
+ATOM 605 CD PRO E 89 73.708 11.603 -5.747 1.00 2.00 C
+ATOM 606 N TYR E 90 75.893 9.070 -2.524 1.00 5.44 N
+ATOM 607 CA TYR E 90 76.614 7.828 -2.258 1.00 2.00 C
+ATOM 608 C TYR E 90 75.815 6.789 -3.024 1.00 7.58 C
+ATOM 609 O TYR E 90 74.568 6.811 -2.975 1.00 2.97 O
+ATOM 610 CB TYR E 90 76.542 7.499 -0.780 1.00 3.33 C
+ATOM 611 CG TYR E 90 77.362 8.386 0.094 1.00 2.00 C
+ATOM 612 CD1 TYR E 90 78.749 8.387 0.000 1.00 2.00 C
+ATOM 613 CD2 TYR E 90 76.756 9.240 1.019 1.00 3.25 C
+ATOM 614 CE1 TYR E 90 79.518 9.220 0.793 1.00 4.02 C
+ATOM 615 CE2 TYR E 90 77.523 10.079 1.836 1.00 5.06 C
+ATOM 616 CZ TYR E 90 78.904 10.069 1.712 1.00 4.27 C
+ATOM 617 OH TYR E 90 79.682 10.927 2.474 1.00 5.47 O
+ATOM 618 N HIS E 91 76.527 5.872 -3.691 1.00 8.09 N
+ATOM 619 CA HIS E 91 75.887 4.875 -4.535 1.00 4.81 C
+ATOM 620 C HIS E 91 75.688 3.489 -4.006 1.00 7.43 C
+ATOM 621 O HIS E 91 75.302 2.622 -4.767 1.00 14.87 O
+ATOM 622 CB HIS E 91 76.545 4.820 -5.907 1.00 2.00 C
+ATOM 623 CG HIS E 91 78.017 4.605 -5.858 1.00 2.00 C
+ATOM 624 ND1 HIS E 91 78.584 3.359 -5.688 1.00 10.26 N
+ATOM 625 CD2 HIS E 91 79.045 5.476 -5.938 1.00 5.63 C
+ATOM 626 CE1 HIS E 91 79.900 3.472 -5.663 1.00 2.00 C
+ATOM 627 NE2 HIS E 91 80.206 4.747 -5.815 1.00 11.86 N
+ATOM 628 N HIS E 92 75.986 3.249 -2.738 1.00 12.90 N
+ATOM 629 CA HIS E 92 75.740 1.934 -2.168 1.00 16.83 C
+ATOM 630 C HIS E 92 74.448 2.149 -1.399 1.00 15.06 C
+ATOM 631 O HIS E 92 74.274 3.175 -0.728 1.00 14.84 O
+ATOM 632 CB HIS E 92 76.888 1.469 -1.239 1.00 29.50 C
+ATOM 633 CG HIS E 92 76.570 0.226 -0.452 1.00 44.52 C
+ATOM 634 ND1 HIS E 92 75.812 0.241 0.705 1.00 49.67 N
+ATOM 635 CD2 HIS E 92 76.897 -1.075 -0.661 1.00 48.76 C
+ATOM 636 CE1 HIS E 92 75.688 -0.991 1.171 1.00 51.25 C
+ATOM 637 NE2 HIS E 92 76.336 -1.809 0.361 1.00 51.42 N
+ATOM 638 N PRO E 93 73.497 1.218 -1.537 1.00 11.06 N
+ATOM 639 CA PRO E 93 72.210 1.325 -0.847 1.00 7.44 C
+ATOM 640 C PRO E 93 72.345 1.468 0.653 1.00 5.62 C
+ATOM 641 O PRO E 93 73.292 0.945 1.252 1.00 8.41 O
+ATOM 642 CB PRO E 93 71.463 0.053 -1.282 1.00 4.62 C
+ATOM 643 CG PRO E 93 72.521 -0.837 -1.812 1.00 7.57 C
+ATOM 644 CD PRO E 93 73.493 0.080 -2.466 1.00 10.20 C
+ATOM 645 N GLY E 94 71.470 2.280 1.237 1.00 4.83 N
+ATOM 646 CA GLY E 94 71.511 2.496 2.667 1.00 5.17 C
+ATOM 647 C GLY E 94 72.318 3.695 3.101 1.00 9.75 C
+ATOM 648 O GLY E 94 72.061 4.270 4.154 1.00 10.52 O
+ATOM 649 N GLN E 95 73.283 4.102 2.286 1.00 8.73 N
+ATOM 650 CA GLN E 95 74.108 5.256 2.623 1.00 7.36 C
+ATOM 651 C GLN E 95 73.386 6.582 2.569 1.00 6.65 C
+ATOM 652 O GLN E 95 73.170 7.206 3.593 1.00 9.85 O
+ATOM 653 CB GLN E 95 75.322 5.340 1.699 1.00 7.38 C
+ATOM 654 CG GLN E 95 76.218 4.130 1.756 1.00 4.30 C
+ATOM 655 CD GLN E 95 77.455 4.348 0.964 1.00 8.08 C
+ATOM 656 OE1 GLN E 95 77.440 4.260 -0.258 1.00 13.66 O
+ATOM 657 NE2 GLN E 95 78.534 4.678 1.641 1.00 9.79 N
+ATOM 658 N ALA E 96 73.029 7.000 1.356 1.00 7.50 N
+ATOM 659 CA ALA E 96 72.385 8.283 1.098 1.00 3.19 C
+ATOM 660 C ALA E 96 70.955 8.437 1.514 1.00 6.44 C
+ATOM 661 O ALA E 96 70.119 7.563 1.289 1.00 7.76 O
+ATOM 662 CB ALA E 96 72.511 8.639 -0.371 1.00 5.00 C
+ATOM 663 N HIS E 97 70.652 9.638 1.987 1.00 5.92 N
+ATOM 664 CA HIS E 97 69.317 9.962 2.410 1.00 2.00 C
+ATOM 665 C HIS E 97 68.873 11.329 1.950 1.00 3.95 C
+ATOM 666 O HIS E 97 67.916 11.879 2.495 1.00 9.37 O
+ATOM 667 CB HIS E 97 69.162 9.800 3.921 1.00 4.11 C
+ATOM 668 CG HIS E 97 70.051 10.685 4.749 1.00 6.43 C
+ATOM 669 ND1 HIS E 97 69.559 11.719 5.515 1.00 2.00 N
+ATOM 670 CD2 HIS E 97 71.367 10.595 5.052 1.00 7.39 C
+ATOM 671 CE1 HIS E 97 70.521 12.216 6.267 1.00 2.02 C
+ATOM 672 NE2 HIS E 97 71.628 11.551 6.006 1.00 11.03 N
+ATOM 673 N GLY E 98 69.567 11.896 0.962 1.00 4.06 N
+ATOM 674 CA GLY E 98 69.159 13.195 0.435 1.00 2.01 C
+ATOM 675 C GLY E 98 69.959 14.439 0.779 1.00 3.37 C
+ATOM 676 O GLY E 98 69.697 15.507 0.232 1.00 3.80 O
+ATOM 677 N LEU E 99 70.919 14.313 1.682 1.00 4.78 N
+ATOM 678 CA LEU E 99 71.747 15.425 2.103 1.00 4.96 C
+ATOM 679 C LEU E 99 73.156 15.176 1.601 1.00 6.99 C
+ATOM 680 O LEU E 99 73.562 14.022 1.500 1.00 13.92 O
+ATOM 681 CB LEU E 99 71.818 15.473 3.634 1.00 6.65 C
+ATOM 682 CG LEU E 99 70.534 15.632 4.423 1.00 8.42 C
+ATOM 683 CD1 LEU E 99 70.831 15.866 5.895 1.00 2.00 C
+ATOM 684 CD2 LEU E 99 69.786 16.805 3.829 1.00 5.98 C
+ATOM 685 N ALA E 100 73.911 16.236 1.327 1.00 7.17 N
+ATOM 686 CA ALA E 100 75.291 16.101 0.893 1.00 2.00 C
+ATOM 687 C ALA E 100 76.040 15.588 2.118 1.00 4.51 C
+ATOM 688 O ALA E 100 75.678 15.914 3.247 1.00 2.00 O
+ATOM 689 CB ALA E 100 75.871 17.453 0.457 1.00 2.00 C
+ATOM 690 N PHE E 101 77.069 14.776 1.862 1.00 4.96 N
+ATOM 691 CA PHE E 101 77.972 14.169 2.855 1.00 6.49 C
+ATOM 692 C PHE E 101 77.372 13.286 3.951 1.00 6.34 C
+ATOM 693 O PHE E 101 78.024 12.351 4.416 1.00 8.69 O
+ATOM 694 CB PHE E 101 78.920 15.216 3.462 1.00 4.30 C
+ATOM 695 CG PHE E 101 79.749 15.946 2.441 1.00 5.13 C
+ATOM 696 CD1 PHE E 101 80.818 15.317 1.814 1.00 3.03 C
+ATOM 697 CD2 PHE E 101 79.413 17.261 2.049 1.00 7.23 C
+ATOM 698 CE1 PHE E 101 81.544 15.981 0.798 1.00 4.91 C
+ATOM 699 CE2 PHE E 101 80.137 17.928 1.034 1.00 2.01 C
+ATOM 700 CZ PHE E 101 81.202 17.274 0.413 1.00 2.68 C
+ATOM 701 N SER E 102 76.120 13.547 4.303 1.00 6.38 N
+ATOM 702 CA SER E 102 75.400 12.817 5.331 1.00 3.84 C
+ATOM 703 C SER E 102 75.121 11.354 4.963 1.00 7.91 C
+ATOM 704 O SER E 102 74.882 11.021 3.797 1.00 7.26 O
+ATOM 705 CB SER E 102 74.079 13.544 5.596 1.00 4.25 C
+ATOM 706 OG SER E 102 73.421 13.138 6.793 1.00 3.32 O
+ATOM 707 N VAL E 103 75.185 10.485 5.966 1.00 8.30 N
+ATOM 708 CA VAL E 103 74.875 9.064 5.804 1.00 7.39 C
+ATOM 709 C VAL E 103 73.849 8.764 6.898 1.00 5.54 C
+ATOM 710 O VAL E 103 73.816 9.443 7.930 1.00 4.95 O
+ATOM 711 CB VAL E 103 76.130 8.142 5.991 1.00 3.31 C
+ATOM 712 CG1 VAL E 103 77.117 8.393 4.891 1.00 2.00 C
+ATOM 713 CG2 VAL E 103 76.790 8.376 7.335 1.00 2.00 C
+ATOM 714 N ARG E 104 72.961 7.816 6.636 1.00 4.38 N
+ATOM 715 CA ARG E 104 71.968 7.410 7.615 1.00 4.53 C
+ATOM 716 C ARG E 104 72.744 7.004 8.874 1.00 6.81 C
+ATOM 717 O ARG E 104 73.911 6.624 8.779 1.00 9.44 O
+ATOM 718 CB ARG E 104 71.173 6.251 7.052 1.00 6.42 C
+ATOM 719 CG ARG E 104 70.705 6.516 5.637 1.00 19.28 C
+ATOM 720 CD ARG E 104 69.505 5.673 5.225 1.00 25.37 C
+ATOM 721 NE ARG E 104 68.238 6.394 5.383 1.00 32.06 N
+ATOM 722 CZ ARG E 104 67.454 6.785 4.368 1.00 40.34 C
+ATOM 723 NH1 ARG E 104 67.785 6.534 3.086 1.00 32.95 N
+ATOM 724 NH2 ARG E 104 66.325 7.439 4.643 1.00 40.18 N
+ATOM 725 N ALA E 105 72.119 7.075 10.048 1.00 8.85 N
+ATOM 726 CA ALA E 105 72.825 6.772 11.309 1.00 8.77 C
+ATOM 727 C ALA E 105 73.341 5.346 11.536 1.00 10.87 C
+ATOM 728 O ALA E 105 74.168 5.116 12.419 1.00 12.95 O
+ATOM 729 CB ALA E 105 72.006 7.227 12.487 1.00 2.00 C
+ATOM 730 N ASN E 106 72.846 4.386 10.763 1.00 12.68 N
+ATOM 731 CA ASN E 106 73.292 3.007 10.915 1.00 13.22 C
+ATOM 732 C ASN E 106 74.320 2.601 9.851 1.00 15.55 C
+ATOM 733 O ASN E 106 74.422 1.436 9.465 1.00 12.50 O
+ATOM 734 CB ASN E 106 72.094 2.061 10.906 1.00 15.85 C
+ATOM 735 CG ASN E 106 71.237 2.183 9.653 1.00 16.32 C
+ATOM 736 OD1 ASN E 106 70.187 1.574 9.584 1.00 19.24 O
+ATOM 737 ND2 ASN E 106 71.688 2.937 8.655 1.00 23.20 N
+ATOM 738 N VAL E 107 75.080 3.585 9.387 1.00 12.14 N
+ATOM 739 CA VAL E 107 76.096 3.394 8.370 1.00 11.16 C
+ATOM 740 C VAL E 107 77.396 4.084 8.826 1.00 10.82 C
+ATOM 741 O VAL E 107 77.362 5.148 9.440 1.00 18.93 O
+ATOM 742 CB VAL E 107 75.599 3.961 6.988 1.00 9.44 C
+ATOM 743 CG1 VAL E 107 76.757 4.149 6.031 1.00 13.77 C
+ATOM 744 CG2 VAL E 107 74.598 3.009 6.347 1.00 12.53 C
+ATOM 745 N PRO E 108 78.551 3.438 8.622 1.00 12.28 N
+ATOM 746 CA PRO E 108 79.838 4.022 9.018 1.00 8.71 C
+ATOM 747 C PRO E 108 80.131 5.248 8.147 1.00 11.86 C
+ATOM 748 O PRO E 108 79.978 5.184 6.924 1.00 16.61 O
+ATOM 749 CB PRO E 108 80.819 2.914 8.673 1.00 6.33 C
+ATOM 750 CG PRO E 108 79.971 1.664 8.684 1.00 9.20 C
+ATOM 751 CD PRO E 108 78.733 2.093 8.047 1.00 8.56 C
+ATOM 752 N PRO E 109 80.615 6.353 8.745 1.00 11.04 N
+ATOM 753 CA PRO E 109 80.922 7.573 7.989 1.00 4.74 C
+ATOM 754 C PRO E 109 81.968 7.305 6.936 1.00 2.00 C
+ATOM 755 O PRO E 109 83.019 6.791 7.251 1.00 8.61 O
+ATOM 756 CB PRO E 109 81.518 8.495 9.067 1.00 7.06 C
+ATOM 757 CG PRO E 109 80.903 8.051 10.324 1.00 5.54 C
+ATOM 758 CD PRO E 109 80.940 6.542 10.174 1.00 10.90 C
+ATOM 759 N PRO E 110 81.712 7.658 5.678 1.00 2.00 N
+ATOM 760 CA PRO E 110 82.724 7.412 4.644 1.00 2.00 C
+ATOM 761 C PRO E 110 83.996 8.256 4.892 1.00 5.21 C
+ATOM 762 O PRO E 110 83.966 9.210 5.685 1.00 5.05 O
+ATOM 763 CB PRO E 110 81.995 7.814 3.361 1.00 2.00 C
+ATOM 764 CG PRO E 110 80.564 7.587 3.686 1.00 2.00 C
+ATOM 765 CD PRO E 110 80.456 8.136 5.078 1.00 3.36 C
+ATOM 766 N PRO E 111 85.117 7.957 4.181 1.00 7.93 N
+ATOM 767 CA PRO E 111 86.379 8.702 4.359 1.00 6.73 C
+ATOM 768 C PRO E 111 86.309 10.239 4.327 1.00 7.95 C
+ATOM 769 O PRO E 111 86.933 10.891 5.177 1.00 11.00 O
+ATOM 770 CB PRO E 111 87.275 8.139 3.253 1.00 4.73 C
+ATOM 771 CG PRO E 111 86.789 6.744 3.113 1.00 2.23 C
+ATOM 772 CD PRO E 111 85.286 6.904 3.161 1.00 3.92 C
+ATOM 773 N SER E 112 85.611 10.824 3.345 1.00 5.02 N
+ATOM 774 CA SER E 112 85.490 12.291 3.273 1.00 5.36 C
+ATOM 775 C SER E 112 84.726 12.843 4.486 1.00 8.26 C
+ATOM 776 O SER E 112 85.098 13.868 5.040 1.00 8.91 O
+ATOM 777 CB SER E 112 84.788 12.714 1.988 1.00 3.56 C
+ATOM 778 OG SER E 112 85.672 12.696 0.888 1.00 11.39 O
+ATOM 779 N LEU E 113 83.667 12.153 4.912 1.00 8.53 N
+ATOM 780 CA LEU E 113 82.900 12.585 6.070 1.00 10.20 C
+ATOM 781 C LEU E 113 83.762 12.552 7.347 1.00 11.17 C
+ATOM 782 O LEU E 113 83.722 13.484 8.152 1.00 12.93 O
+ATOM 783 CB LEU E 113 81.648 11.726 6.233 1.00 11.59 C
+ATOM 784 CG LEU E 113 80.617 12.170 7.275 1.00 10.00 C
+ATOM 785 CD1 LEU E 113 80.152 13.585 7.018 1.00 8.35 C
+ATOM 786 CD2 LEU E 113 79.445 11.239 7.201 1.00 7.91 C
+ATOM 787 N ARG E 114 84.560 11.498 7.525 1.00 13.28 N
+ATOM 788 CA ARG E 114 85.436 11.397 8.700 1.00 10.05 C
+ATOM 789 C ARG E 114 86.368 12.606 8.753 1.00 8.61 C
+ATOM 790 O ARG E 114 86.706 13.082 9.831 1.00 11.09 O
+ATOM 791 CB ARG E 114 86.274 10.117 8.673 1.00 16.53 C
+ATOM 792 CG ARG E 114 85.591 8.855 9.186 1.00 22.69 C
+ATOM 793 CD ARG E 114 86.596 7.710 9.353 1.00 29.40 C
+ATOM 794 NE ARG E 114 87.140 7.233 8.074 1.00 45.10 N
+ATOM 795 CZ ARG E 114 88.269 7.673 7.504 1.00 48.29 C
+ATOM 796 NH1 ARG E 114 88.994 8.613 8.096 1.00 53.19 N
+ATOM 797 NH2 ARG E 114 88.678 7.177 6.336 1.00 46.43 N
+ATOM 798 N ASN E 115 86.807 13.092 7.599 1.00 2.58 N
+ATOM 799 CA ASN E 115 87.676 14.264 7.583 1.00 7.34 C
+ATOM 800 C ASN E 115 86.909 15.547 7.896 1.00 11.75 C
+ATOM 801 O ASN E 115 87.429 16.431 8.577 1.00 14.26 O
+ATOM 802 CB ASN E 115 88.404 14.371 6.257 1.00 12.31 C
+ATOM 803 CG ASN E 115 89.551 13.409 6.163 1.00 16.38 C
+ATOM 804 OD1 ASN E 115 90.428 13.569 5.336 1.00 25.41 O
+ATOM 805 ND2 ASN E 115 89.575 12.413 7.040 1.00 29.65 N
+ATOM 806 N VAL E 116 85.682 15.659 7.386 1.00 10.50 N
+ATOM 807 CA VAL E 116 84.838 16.819 7.674 1.00 9.84 C
+ATOM 808 C VAL E 116 84.629 16.851 9.198 1.00 9.86 C
+ATOM 809 O VAL E 116 84.857 17.874 9.848 1.00 9.34 O
+ATOM 810 CB VAL E 116 83.440 16.732 6.938 1.00 6.46 C
+ATOM 811 CG1 VAL E 116 82.458 17.657 7.563 1.00 2.00 C
+ATOM 812 CG2 VAL E 116 83.586 17.054 5.448 1.00 4.54 C
+ATOM 813 N LEU E 117 84.249 15.707 9.765 1.00 9.36 N
+ATOM 814 CA LEU E 117 84.014 15.610 11.193 1.00 5.90 C
+ATOM 815 C LEU E 117 85.304 15.823 11.958 1.00 8.34 C
+ATOM 816 O LEU E 117 85.298 16.289 13.095 1.00 8.18 O
+ATOM 817 CB LEU E 117 83.389 14.278 11.548 1.00 4.91 C
+ATOM 818 CG LEU E 117 82.030 13.919 10.911 1.00 10.52 C
+ATOM 819 CD1 LEU E 117 81.447 12.669 11.593 1.00 9.68 C
+ATOM 820 CD2 LEU E 117 81.042 15.070 11.008 1.00 9.41 C
+ATOM 821 N ALA E 118 86.428 15.549 11.318 1.00 8.11 N
+ATOM 822 CA ALA E 118 87.721 15.749 11.958 1.00 4.66 C
+ATOM 823 C ALA E 118 87.997 17.252 12.032 1.00 5.40 C
+ATOM 824 O ALA E 118 88.338 17.755 13.087 1.00 6.85 O
+ATOM 825 CB ALA E 118 88.795 15.041 11.162 1.00 3.31 C
+ATOM 826 N ALA E 119 87.776 17.976 10.929 1.00 8.62 N
+ATOM 827 CA ALA E 119 87.987 19.432 10.863 1.00 7.60 C
+ATOM 828 C ALA E 119 87.106 20.171 11.854 1.00 9.44 C
+ATOM 829 O ALA E 119 87.475 21.246 12.322 1.00 13.08 O
+ATOM 830 CB ALA E 119 87.702 19.951 9.472 1.00 5.22 C
+ATOM 831 N VAL E 120 85.947 19.596 12.184 1.00 11.48 N
+ATOM 832 CA VAL E 120 85.024 20.218 13.136 1.00 9.85 C
+ATOM 833 C VAL E 120 85.578 20.143 14.559 1.00 12.75 C
+ATOM 834 O VAL E 120 85.619 21.143 15.279 1.00 14.09 O
+ATOM 835 CB VAL E 120 83.584 19.578 13.090 1.00 7.79 C
+ATOM 836 CG1 VAL E 120 82.759 20.077 14.240 1.00 3.85 C
+ATOM 837 CG2 VAL E 120 82.871 19.897 11.774 1.00 2.00 C
+ATOM 838 N LYS E 121 86.015 18.958 14.961 1.00 15.32 N
+ATOM 839 CA LYS E 121 86.540 18.791 16.302 1.00 15.83 C
+ATOM 840 C LYS E 121 87.786 19.661 16.524 1.00 18.13 C
+ATOM 841 O LYS E 121 88.000 20.144 17.634 1.00 20.53 O
+ATOM 842 CB LYS E 121 86.833 17.310 16.567 1.00 20.73 C
+ATOM 843 CG LYS E 121 87.175 16.961 18.011 1.00 22.81 C
+ATOM 844 CD LYS E 121 86.102 17.455 18.967 1.00 30.22 C
+ATOM 845 CE LYS E 121 86.334 16.956 20.389 1.00 26.53 C
+ATOM 846 NZ LYS E 121 85.912 15.527 20.528 1.00 40.84 N
+ATOM 847 N ASN E 122 88.589 19.874 15.478 1.00 14.12 N
+ATOM 848 CA ASN E 122 89.795 20.703 15.587 1.00 16.13 C
+ATOM 849 C ASN E 122 89.476 22.154 15.865 1.00 19.50 C
+ATOM 850 O ASN E 122 90.216 22.811 16.593 1.00 26.19 O
+ATOM 851 CB ASN E 122 90.646 20.669 14.321 1.00 16.19 C
+ATOM 852 CG ASN E 122 91.413 19.387 14.163 1.00 21.49 C
+ATOM 853 OD1 ASN E 122 91.905 18.812 15.127 1.00 22.35 O
+ATOM 854 ND2 ASN E 122 91.516 18.923 12.931 1.00 29.00 N
+ATOM 855 N CYS E 123 88.459 22.683 15.187 1.00 21.44 N
+ATOM 856 CA CYS E 123 88.029 24.067 15.368 1.00 19.24 C
+ATOM 857 C CYS E 123 87.367 24.204 16.726 1.00 21.16 C
+ATOM 858 O CYS E 123 87.556 25.203 17.416 1.00 24.76 O
+ATOM 859 CB CYS E 123 86.985 24.466 14.322 1.00 13.93 C
+ATOM 860 SG CYS E 123 87.511 24.451 12.629 1.00 16.42 S
+ATOM 861 N TYR E 124 86.545 23.210 17.065 1.00 22.65 N
+ATOM 862 CA TYR E 124 85.779 23.167 18.313 1.00 20.93 C
+ATOM 863 C TYR E 124 86.085 21.904 19.095 1.00 19.99 C
+ATOM 864 O TYR E 124 85.310 20.954 19.102 1.00 21.29 O
+ATOM 865 CB TYR E 124 84.274 23.243 18.012 1.00 14.16 C
+ATOM 866 CG TYR E 124 83.866 24.536 17.333 1.00 13.97 C
+ATOM 867 CD1 TYR E 124 83.769 25.711 18.069 1.00 11.35 C
+ATOM 868 CD2 TYR E 124 83.611 24.594 15.952 1.00 11.02 C
+ATOM 869 CE1 TYR E 124 83.437 26.921 17.463 1.00 8.75 C
+ATOM 870 CE2 TYR E 124 83.278 25.803 15.335 1.00 10.01 C
+ATOM 871 CZ TYR E 124 83.197 26.968 16.109 1.00 7.41 C
+ATOM 872 OH TYR E 124 82.922 28.196 15.568 1.00 11.97 O
+ATOM 873 N PRO E 125 87.207 21.905 19.808 1.00 20.33 N
+ATOM 874 CA PRO E 125 87.659 20.768 20.616 1.00 22.60 C
+ATOM 875 C PRO E 125 86.775 20.541 21.835 1.00 26.43 C
+ATOM 876 O PRO E 125 86.805 19.487 22.465 1.00 29.33 O
+ATOM 877 CB PRO E 125 89.055 21.194 21.020 1.00 21.03 C
+ATOM 878 CG PRO E 125 88.932 22.701 21.124 1.00 21.27 C
+ATOM 879 CD PRO E 125 88.131 23.050 19.918 1.00 17.10 C
+ATOM 880 N GLU E 126 85.973 21.545 22.141 1.00 32.29 N
+ATOM 881 CA GLU E 126 85.073 21.509 23.278 1.00 34.38 C
+ATOM 882 C GLU E 126 83.835 20.711 22.887 1.00 35.21 C
+ATOM 883 O GLU E 126 82.926 20.532 23.700 1.00 37.29 O
+ATOM 884 CB GLU E 126 84.645 22.948 23.636 1.00 46.12 C
+ATOM 885 CG GLU E 126 85.728 24.078 23.404 1.00 58.58 C
+ATOM 886 CD GLU E 126 86.769 24.231 24.549 1.00 60.26 C
+ATOM 887 OE1 GLU E 126 86.387 24.721 25.643 1.00 59.88 O
+ATOM 888 OE2 GLU E 126 87.968 23.899 24.338 1.00 55.89 O
+ATOM 889 N ALA E 127 83.806 20.252 21.635 1.00 34.20 N
+ATOM 890 CA ALA E 127 82.678 19.510 21.071 1.00 28.66 C
+ATOM 891 C ALA E 127 82.612 18.008 21.416 1.00 29.33 C
+ATOM 892 O ALA E 127 83.612 17.286 21.349 1.00 25.43 O
+ATOM 893 CB ALA E 127 82.650 19.706 19.542 1.00 23.67 C
+ATOM 894 N ARG E 128 81.422 17.548 21.795 1.00 26.84 N
+ATOM 895 CA ARG E 128 81.209 16.143 22.104 1.00 23.38 C
+ATOM 896 C ARG E 128 80.552 15.476 20.857 1.00 17.97 C
+ATOM 897 O ARG E 128 79.359 15.580 20.631 1.00 15.80 O
+ATOM 898 CB ARG E 128 80.375 15.994 23.400 1.00 28.43 C
+ATOM 899 CG ARG E 128 78.857 16.417 23.327 1.00 45.79 C
+ATOM 900 CD ARG E 128 78.540 17.891 22.833 1.00 54.78 C
+ATOM 901 NE ARG E 128 77.092 18.205 22.790 1.00 56.48 N
+ATOM 902 CZ ARG E 128 76.218 17.736 21.885 1.00 58.37 C
+ATOM 903 NH1 ARG E 128 76.600 16.912 20.902 1.00 54.13 N
+ATOM 904 NH2 ARG E 128 74.935 18.082 21.965 1.00 56.97 N
+ATOM 905 N MET E 129 81.375 14.889 19.998 1.00 13.26 N
+ATOM 906 CA MET E 129 80.920 14.236 18.774 1.00 13.88 C
+ATOM 907 C MET E 129 80.375 12.837 19.052 1.00 14.50 C
+ATOM 908 O MET E 129 80.914 12.103 19.870 1.00 18.44 O
+ATOM 909 CB MET E 129 82.090 14.144 17.791 1.00 11.01 C
+ATOM 910 CG MET E 129 82.854 15.463 17.548 1.00 3.76 C
+ATOM 911 SD MET E 129 81.836 16.735 16.825 1.00 12.77 S
+ATOM 912 CE MET E 129 81.481 16.085 15.393 1.00 2.00 C
+ATOM 913 N SER E 130 79.358 12.419 18.317 1.00 17.19 N
+ATOM 914 CA SER E 130 78.764 11.104 18.556 1.00 12.05 C
+ATOM 915 C SER E 130 79.491 9.985 17.900 1.00 12.03 C
+ATOM 916 O SER E 130 79.106 8.828 18.070 1.00 22.63 O
+ATOM 917 CB SER E 130 77.348 11.047 18.023 1.00 12.31 C
+ATOM 918 OG SER E 130 77.346 10.963 16.609 1.00 12.85 O
+ATOM 919 N GLY E 131 80.436 10.316 17.035 1.00 15.91 N
+ATOM 920 CA GLY E 131 81.162 9.286 16.323 1.00 16.71 C
+ATOM 921 C GLY E 131 80.365 8.880 15.095 1.00 17.75 C
+ATOM 922 O GLY E 131 80.879 8.152 14.246 1.00 18.91 O
+ATOM 923 N HIS E 132 79.118 9.358 15.002 1.00 15.92 N
+ATOM 924 CA HIS E 132 78.217 9.067 13.880 1.00 17.61 C
+ATOM 925 C HIS E 132 78.292 10.092 12.750 1.00 16.33 C
+ATOM 926 O HIS E 132 78.857 11.172 12.918 1.00 11.60 O
+ATOM 927 CB HIS E 132 76.779 8.947 14.363 1.00 23.07 C
+ATOM 928 CG HIS E 132 76.467 7.625 14.992 1.00 39.93 C
+ATOM 929 ND1 HIS E 132 76.860 7.295 16.273 1.00 43.53 N
+ATOM 930 CD2 HIS E 132 75.821 6.536 14.503 1.00 45.48 C
+ATOM 931 CE1 HIS E 132 76.474 6.058 16.543 1.00 49.69 C
+ATOM 932 NE2 HIS E 132 75.841 5.576 15.486 1.00 48.73 N
+ATOM 933 N GLY E 133 77.685 9.752 11.614 1.00 14.35 N
+ATOM 934 CA GLY E 133 77.732 10.625 10.456 1.00 11.58 C
+ATOM 935 C GLY E 133 76.429 11.154 9.898 1.00 6.02 C
+ATOM 936 O GLY E 133 76.405 11.582 8.769 1.00 4.46 O
+ATOM 937 N CYS E 134 75.354 11.129 10.678 1.00 9.25 N
+ATOM 938 CA CYS E 134 74.060 11.636 10.223 1.00 13.70 C
+ATOM 939 C CYS E 134 73.998 13.127 10.554 1.00 15.95 C
+ATOM 940 O CYS E 134 73.895 13.535 11.726 1.00 16.92 O
+ATOM 941 CB CYS E 134 72.892 10.871 10.874 1.00 14.28 C
+ATOM 942 SG CYS E 134 71.295 11.213 10.146 1.00 12.62 S
+ATOM 943 N LEU E 135 74.003 13.931 9.500 1.00 15.83 N
+ATOM 944 CA LEU E 135 74.026 15.372 9.648 1.00 14.33 C
+ATOM 945 C LEU E 135 72.666 16.049 9.749 1.00 16.41 C
+ATOM 946 O LEU E 135 72.575 17.272 9.622 1.00 18.77 O
+ATOM 947 CB LEU E 135 74.864 15.986 8.513 1.00 8.84 C
+ATOM 948 CG LEU E 135 76.251 15.373 8.262 1.00 3.39 C
+ATOM 949 CD1 LEU E 135 76.967 16.093 7.145 1.00 2.00 C
+ATOM 950 CD2 LEU E 135 77.071 15.428 9.535 1.00 4.49 C
+ATOM 951 N GLU E 136 71.612 15.309 10.061 1.00 13.78 N
+ATOM 952 CA GLU E 136 70.349 15.991 10.117 1.00 15.54 C
+ATOM 953 C GLU E 136 70.207 17.028 11.212 1.00 14.60 C
+ATOM 954 O GLU E 136 69.353 17.898 11.117 1.00 13.58 O
+ATOM 955 CB GLU E 136 69.155 15.048 10.030 1.00 24.51 C
+ATOM 956 CG GLU E 136 69.010 13.970 11.068 1.00 39.35 C
+ATOM 957 CD GLU E 136 67.778 13.080 10.789 1.00 49.48 C
+ATOM 958 OE1 GLU E 136 67.478 12.775 9.603 1.00 46.74 O
+ATOM 959 OE2 GLU E 136 67.097 12.694 11.766 1.00 57.92 O
+ATOM 960 N LYS E 137 71.105 17.006 12.189 1.00 11.30 N
+ATOM 961 CA LYS E 137 71.076 17.980 13.281 1.00 7.31 C
+ATOM 962 C LYS E 137 71.418 19.389 12.740 1.00 8.59 C
+ATOM 963 O LYS E 137 70.751 20.384 13.059 1.00 12.70 O
+ATOM 964 CB LYS E 137 72.054 17.546 14.369 1.00 4.24 C
+ATOM 965 CG LYS E 137 72.255 18.532 15.513 1.00 5.60 C
+ATOM 966 CD LYS E 137 73.241 18.003 16.556 1.00 2.00 C
+ATOM 967 CE LYS E 137 73.553 19.016 17.630 1.00 2.01 C
+ATOM 968 NZ LYS E 137 74.339 20.146 17.094 1.00 8.01 N
+ATOM 969 N TRP E 138 72.417 19.423 11.858 1.00 6.03 N
+ATOM 970 CA TRP E 138 72.898 20.625 11.195 1.00 2.42 C
+ATOM 971 C TRP E 138 71.839 21.228 10.270 1.00 2.28 C
+ATOM 972 O TRP E 138 71.690 22.441 10.186 1.00 8.27 O
+ATOM 973 CB TRP E 138 74.080 20.253 10.327 1.00 3.50 C
+ATOM 974 CG TRP E 138 75.316 19.877 11.034 1.00 2.00 C
+ATOM 975 CD1 TRP E 138 75.479 19.700 12.371 1.00 2.00 C
+ATOM 976 CD2 TRP E 138 76.607 19.672 10.429 1.00 2.00 C
+ATOM 977 NE1 TRP E 138 76.798 19.400 12.633 1.00 5.90 N
+ATOM 978 CE2 TRP E 138 77.508 19.380 11.459 1.00 2.00 C
+ATOM 979 CE3 TRP E 138 77.076 19.708 9.109 1.00 2.65 C
+ATOM 980 CZ2 TRP E 138 78.862 19.124 11.225 1.00 3.82 C
+ATOM 981 CZ3 TRP E 138 78.435 19.448 8.865 1.00 5.02 C
+ATOM 982 CH2 TRP E 138 79.307 19.159 9.925 1.00 4.14 C
+ATOM 983 N ALA E 139 71.180 20.360 9.500 1.00 9.10 N
+ATOM 984 CA ALA E 139 70.132 20.733 8.538 1.00 7.30 C
+ATOM 985 C ALA E 139 69.047 21.477 9.260 1.00 6.71 C
+ATOM 986 O ALA E 139 68.609 22.526 8.812 1.00 9.20 O
+ATOM 987 CB ALA E 139 69.550 19.496 7.883 1.00 8.79 C
+ATOM 988 N ARG E 140 68.692 20.980 10.434 1.00 11.49 N
+ATOM 989 CA ARG E 140 67.662 21.614 11.234 1.00 15.61 C
+ATOM 990 C ARG E 140 68.087 23.004 11.684 1.00 14.63 C
+ATOM 991 O ARG E 140 67.237 23.881 11.849 1.00 13.59 O
+ATOM 992 CB ARG E 140 67.307 20.753 12.440 1.00 16.97 C
+ATOM 993 CG ARG E 140 67.028 19.322 12.050 1.00 24.07 C
+ATOM 994 CD ARG E 140 66.181 18.604 13.047 1.00 26.55 C
+ATOM 995 NE ARG E 140 64.958 18.174 12.380 1.00 42.09 N
+ATOM 996 CZ ARG E 140 64.723 16.931 11.963 1.00 46.16 C
+ATOM 997 NH1 ARG E 140 65.633 15.969 12.149 1.00 44.18 N
+ATOM 998 NH2 ARG E 140 63.574 16.653 11.348 1.00 46.24 N
+ATOM 999 N ASP E 141 69.398 23.196 11.849 1.00 13.50 N
+ATOM 1000 CA ASP E 141 69.997 24.462 12.283 1.00 9.07 C
+ATOM 1001 C ASP E 141 70.231 25.445 11.144 1.00 5.69 C
+ATOM 1002 O ASP E 141 70.777 26.503 11.365 1.00 7.08 O
+ATOM 1003 CB ASP E 141 71.359 24.210 12.948 1.00 18.17 C
+ATOM 1004 CG ASP E 141 71.265 23.925 14.421 1.00 15.40 C
+ATOM 1005 OD1 ASP E 141 70.230 23.424 14.857 1.00 17.76 O
+ATOM 1006 OD2 ASP E 141 72.236 24.224 15.147 1.00 26.58 O
+ATOM 1007 N GLY E 142 69.913 25.076 9.918 1.00 3.31 N
+ATOM 1008 CA GLY E 142 70.115 26.015 8.849 1.00 2.00 C
+ATOM 1009 C GLY E 142 71.275 25.692 7.950 1.00 5.04 C
+ATOM 1010 O GLY E 142 71.710 26.550 7.188 1.00 7.33 O
+ATOM 1011 N VAL E 143 71.822 24.486 8.032 1.00 8.57 N
+ATOM 1012 CA VAL E 143 72.928 24.148 7.147 1.00 4.58 C
+ATOM 1013 C VAL E 143 72.355 23.307 6.041 1.00 4.60 C
+ATOM 1014 O VAL E 143 71.905 22.196 6.288 1.00 2.03 O
+ATOM 1015 CB VAL E 143 74.049 23.352 7.833 1.00 2.50 C
+ATOM 1016 CG1 VAL E 143 75.108 23.060 6.795 1.00 5.16 C
+ATOM 1017 CG2 VAL E 143 74.649 24.127 9.041 1.00 2.01 C
+ATOM 1018 N LEU E 144 72.345 23.864 4.835 1.00 6.54 N
+ATOM 1019 CA LEU E 144 71.808 23.213 3.647 1.00 6.24 C
+ATOM 1020 C LEU E 144 72.908 22.405 2.954 1.00 8.90 C
+ATOM 1021 O LEU E 144 73.804 22.949 2.306 1.00 9.96 O
+ATOM 1022 CB LEU E 144 71.207 24.266 2.695 1.00 4.46 C
+ATOM 1023 CG LEU E 144 70.493 23.793 1.423 1.00 5.16 C
+ATOM 1024 CD1 LEU E 144 69.281 23.011 1.784 1.00 2.00 C
+ATOM 1025 CD2 LEU E 144 70.107 24.952 0.576 1.00 2.01 C
+ATOM 1026 N LEU E 145 72.855 21.097 3.147 1.00 8.16 N
+ATOM 1027 CA LEU E 145 73.829 20.181 2.578 1.00 2.97 C
+ATOM 1028 C LEU E 145 73.213 19.779 1.234 1.00 6.17 C
+ATOM 1029 O LEU E 145 72.394 18.852 1.156 1.00 7.93 O
+ATOM 1030 CB LEU E 145 73.990 19.007 3.548 1.00 2.65 C
+ATOM 1031 CG LEU E 145 74.548 19.407 4.911 1.00 2.02 C
+ATOM 1032 CD1 LEU E 145 74.057 18.527 6.000 1.00 2.00 C
+ATOM 1033 CD2 LEU E 145 76.030 19.373 4.829 1.00 2.01 C
+ATOM 1034 N LEU E 146 73.625 20.467 0.170 1.00 5.71 N
+ATOM 1035 CA LEU E 146 73.042 20.271 -1.155 1.00 3.35 C
+ATOM 1036 C LEU E 146 73.960 19.755 -2.266 1.00 4.72 C
+ATOM 1037 O LEU E 146 74.980 20.355 -2.540 1.00 11.61 O
+ATOM 1038 CB LEU E 146 72.357 21.595 -1.543 1.00 3.45 C
+ATOM 1039 CG LEU E 146 71.644 21.944 -2.846 1.00 9.51 C
+ATOM 1040 CD1 LEU E 146 70.692 20.820 -3.300 1.00 11.75 C
+ATOM 1041 CD2 LEU E 146 70.878 23.260 -2.627 1.00 3.83 C
+ATOM 1042 N ASN E 147 73.621 18.600 -2.851 1.00 4.34 N
+ATOM 1043 CA ASN E 147 74.391 18.027 -3.945 1.00 2.76 C
+ATOM 1044 C ASN E 147 73.920 18.719 -5.205 1.00 2.00 C
+ATOM 1045 O ASN E 147 72.817 19.245 -5.261 1.00 2.01 O
+ATOM 1046 CB ASN E 147 74.108 16.526 -4.127 1.00 2.00 C
+ATOM 1047 CG ASN E 147 74.724 15.647 -3.041 1.00 5.95 C
+ATOM 1048 OD1 ASN E 147 75.783 15.941 -2.485 1.00 4.41 O
+ATOM 1049 ND2 ASN E 147 74.063 14.532 -2.762 1.00 10.71 N
+ATOM 1050 N THR E 148 74.748 18.706 -6.228 1.00 2.00 N
+ATOM 1051 CA THR E 148 74.349 19.299 -7.474 1.00 4.75 C
+ATOM 1052 C THR E 148 73.733 18.215 -8.381 1.00 8.46 C
+ATOM 1053 O THR E 148 73.064 18.532 -9.358 1.00 11.55 O
+ATOM 1054 CB THR E 148 75.510 20.032 -8.139 1.00 6.92 C
+ATOM 1055 OG1 THR E 148 76.656 19.180 -8.167 1.00 15.29 O
+ATOM 1056 CG2 THR E 148 75.865 21.290 -7.365 1.00 4.85 C
+ATOM 1057 N THR E 149 74.003 16.940 -8.087 1.00 6.71 N
+ATOM 1058 CA THR E 149 73.404 15.817 -8.814 1.00 6.12 C
+ATOM 1059 C THR E 149 72.662 15.079 -7.717 1.00 7.31 C
+ATOM 1060 O THR E 149 73.266 14.582 -6.759 1.00 9.22 O
+ATOM 1061 CB THR E 149 74.417 14.924 -9.453 1.00 8.22 C
+ATOM 1062 OG1 THR E 149 75.180 15.710 -10.367 1.00 8.32 O
+ATOM 1063 CG2 THR E 149 73.722 13.802 -10.227 1.00 6.52 C
+ATOM 1064 N LEU E 150 71.341 15.098 -7.815 1.00 2.34 N
+ATOM 1065 CA LEU E 150 70.518 14.543 -6.794 1.00 2.00 C
+ATOM 1066 C LEU E 150 70.297 13.037 -6.774 1.00 4.68 C
+ATOM 1067 O LEU E 150 69.869 12.499 -5.752 1.00 7.57 O
+ATOM 1068 CB LEU E 150 69.178 15.260 -6.832 1.00 5.38 C
+ATOM 1069 CG LEU E 150 69.088 16.772 -6.633 1.00 2.00 C
+ATOM 1070 CD1 LEU E 150 67.629 17.127 -6.540 1.00 2.05 C
+ATOM 1071 CD2 LEU E 150 69.814 17.236 -5.407 1.00 2.01 C
+ATOM 1072 N THR E 151 70.541 12.351 -7.883 1.00 5.19 N
+ATOM 1073 CA THR E 151 70.315 10.912 -7.920 1.00 7.45 C
+ATOM 1074 C THR E 151 71.485 10.219 -8.566 1.00 8.66 C
+ATOM 1075 O THR E 151 72.272 10.852 -9.284 1.00 11.39 O
+ATOM 1076 CB THR E 151 69.063 10.507 -8.734 1.00 8.10 C
+ATOM 1077 OG1 THR E 151 69.270 10.855 -10.105 1.00 8.94 O
+ATOM 1078 CG2 THR E 151 67.773 11.148 -8.203 1.00 2.00 C
+ATOM 1079 N VAL E 152 71.562 8.909 -8.343 1.00 8.20 N
+ATOM 1080 CA VAL E 152 72.626 8.071 -8.871 1.00 7.28 C
+ATOM 1081 C VAL E 152 72.085 6.645 -9.023 1.00 9.10 C
+ATOM 1082 O VAL E 152 71.199 6.236 -8.285 1.00 13.64 O
+ATOM 1083 CB VAL E 152 73.793 8.004 -7.869 1.00 7.17 C
+ATOM 1084 CG1 VAL E 152 73.352 7.270 -6.612 1.00 3.17 C
+ATOM 1085 CG2 VAL E 152 74.988 7.299 -8.480 1.00 3.72 C
+ATOM 1086 N LYS E 153 72.577 5.903 -10.003 1.00 11.87 N
+ATOM 1087 CA LYS E 153 72.166 4.513 -10.150 1.00 8.77 C
+ATOM 1088 C LYS E 153 73.006 3.704 -9.153 1.00 10.78 C
+ATOM 1089 O LYS E 153 74.231 3.907 -9.045 1.00 11.54 O
+ATOM 1090 CB LYS E 153 72.494 4.031 -11.546 1.00 8.47 C
+ATOM 1091 CG LYS E 153 72.339 2.566 -11.727 1.00 10.63 C
+ATOM 1092 CD LYS E 153 72.884 2.181 -13.062 1.00 15.91 C
+ATOM 1093 CE LYS E 153 72.520 0.764 -13.401 1.00 19.35 C
+ATOM 1094 NZ LYS E 153 72.429 0.607 -14.881 1.00 27.39 N
+ATOM 1095 N ARG E 154 72.363 2.793 -8.434 1.00 9.97 N
+ATOM 1096 CA ARG E 154 73.064 1.951 -7.469 1.00 13.78 C
+ATOM 1097 C ARG E 154 74.295 1.323 -8.102 1.00 11.22 C
+ATOM 1098 O ARG E 154 74.206 0.726 -9.169 1.00 9.25 O
+ATOM 1099 CB ARG E 154 72.158 0.830 -6.970 1.00 19.24 C
+ATOM 1100 CG ARG E 154 72.851 -0.074 -5.964 1.00 26.16 C
+ATOM 1101 CD ARG E 154 72.427 -1.530 -6.138 1.00 33.92 C
+ATOM 1102 NE ARG E 154 73.142 -2.462 -5.270 1.00 35.20 N
+ATOM 1103 CZ ARG E 154 72.593 -3.545 -4.721 1.00 37.66 C
+ATOM 1104 NH1 ARG E 154 71.309 -3.849 -4.939 1.00 34.23 N
+ATOM 1105 NH2 ARG E 154 73.334 -4.322 -3.938 1.00 38.83 N
+ATOM 1106 N GLY E 155 75.447 1.521 -7.469 1.00 9.02 N
+ATOM 1107 CA GLY E 155 76.692 0.959 -7.964 1.00 6.16 C
+ATOM 1108 C GLY E 155 77.418 1.658 -9.099 1.00 10.40 C
+ATOM 1109 O GLY E 155 78.533 1.258 -9.431 1.00 13.56 O
+ATOM 1110 N ALA E 156 76.846 2.712 -9.675 1.00 8.34 N
+ATOM 1111 CA ALA E 156 77.525 3.424 -10.770 1.00 8.61 C
+ATOM 1112 C ALA E 156 77.700 4.877 -10.357 1.00 11.48 C
+ATOM 1113 O ALA E 156 76.708 5.593 -10.198 1.00 17.17 O
+ATOM 1114 CB ALA E 156 76.692 3.336 -12.074 1.00 2.00 C
+ATOM 1115 N ALA E 157 78.934 5.338 -10.202 1.00 11.87 N
+ATOM 1116 CA ALA E 157 79.138 6.727 -9.776 1.00 9.35 C
+ATOM 1117 C ALA E 157 79.022 7.698 -10.939 1.00 10.64 C
+ATOM 1118 O ALA E 157 79.498 7.420 -12.026 1.00 17.51 O
+ATOM 1119 CB ALA E 157 80.484 6.892 -9.062 1.00 4.41 C
+ATOM 1120 N ALA E 158 78.380 8.838 -10.699 1.00 13.33 N
+ATOM 1121 CA ALA E 158 78.185 9.871 -11.715 1.00 12.61 C
+ATOM 1122 C ALA E 158 77.339 9.377 -12.878 1.00 13.74 C
+ATOM 1123 O ALA E 158 77.416 9.902 -13.979 1.00 15.41 O
+ATOM 1124 CB ALA E 158 79.519 10.382 -12.212 1.00 8.25 C
+ATOM 1125 N SER E 159 76.531 8.356 -12.631 1.00 14.63 N
+ATOM 1126 CA SER E 159 75.670 7.806 -13.663 1.00 10.18 C
+ATOM 1127 C SER E 159 74.570 8.782 -14.125 1.00 13.38 C
+ATOM 1128 O SER E 159 74.208 8.792 -15.299 1.00 15.67 O
+ATOM 1129 CB SER E 159 75.078 6.482 -13.187 1.00 10.54 C
+ATOM 1130 OG SER E 159 74.807 6.501 -11.791 1.00 11.42 O
+ATOM 1131 N HIS E 160 74.020 9.593 -13.222 1.00 12.74 N
+ATOM 1132 CA HIS E 160 72.984 10.551 -13.620 1.00 11.37 C
+ATOM 1133 C HIS E 160 73.517 11.966 -13.697 1.00 14.46 C
+ATOM 1134 O HIS E 160 72.739 12.910 -13.824 1.00 14.33 O
+ATOM 1135 CB HIS E 160 71.867 10.568 -12.620 1.00 6.69 C
+ATOM 1136 CG HIS E 160 71.115 9.298 -12.559 1.00 3.03 C
+ATOM 1137 ND1 HIS E 160 69.988 9.143 -11.788 1.00 3.70 N
+ATOM 1138 CD2 HIS E 160 71.323 8.115 -13.173 1.00 2.00 C
+ATOM 1139 CE1 HIS E 160 69.536 7.912 -11.920 1.00 7.71 C
+ATOM 1140 NE2 HIS E 160 70.329 7.270 -12.757 1.00 2.00 N
+ATOM 1141 N SER E 161 74.835 12.109 -13.630 1.00 13.00 N
+ATOM 1142 CA SER E 161 75.463 13.419 -13.643 1.00 16.88 C
+ATOM 1143 C SER E 161 75.214 14.278 -14.876 1.00 15.64 C
+ATOM 1144 O SER E 161 75.476 15.481 -14.824 1.00 22.05 O
+ATOM 1145 CB SER E 161 76.967 13.290 -13.390 1.00 19.11 C
+ATOM 1146 OG SER E 161 77.592 12.407 -14.323 1.00 28.32 O
+ATOM 1147 N ARG E 162 74.696 13.679 -15.957 1.00 13.74 N
+ATOM 1148 CA ARG E 162 74.419 14.385 -17.210 1.00 8.07 C
+ATOM 1149 C ARG E 162 72.949 14.508 -17.573 1.00 11.98 C
+ATOM 1150 O ARG E 162 72.633 14.763 -18.730 1.00 12.78 O
+ATOM 1151 CB ARG E 162 75.118 13.702 -18.372 1.00 7.79 C
+ATOM 1152 CG ARG E 162 76.573 13.967 -18.435 1.00 15.52 C
+ATOM 1153 CD ARG E 162 77.301 12.950 -19.269 1.00 23.61 C
+ATOM 1154 NE ARG E 162 78.427 12.468 -18.483 1.00 35.70 N
+ATOM 1155 CZ ARG E 162 78.449 11.293 -17.865 1.00 41.37 C
+ATOM 1156 NH1 ARG E 162 77.418 10.451 -17.983 1.00 38.36 N
+ATOM 1157 NH2 ARG E 162 79.418 11.038 -16.989 1.00 41.91 N
+ATOM 1158 N ILE E 163 72.042 14.285 -16.629 1.00 12.29 N
+ATOM 1159 CA ILE E 163 70.632 14.400 -16.965 1.00 14.52 C
+ATOM 1160 C ILE E 163 70.020 15.781 -16.658 1.00 16.28 C
+ATOM 1161 O ILE E 163 68.852 16.039 -16.967 1.00 18.67 O
+ATOM 1162 CB ILE E 163 69.789 13.215 -16.378 1.00 17.86 C
+ATOM 1163 CG1 ILE E 163 69.727 13.267 -14.862 1.00 14.85 C
+ATOM 1164 CG2 ILE E 163 70.423 11.866 -16.755 1.00 20.29 C
+ATOM 1165 CD1 ILE E 163 69.219 11.973 -14.289 1.00 13.57 C
+ATOM 1166 N GLY E 164 70.808 16.669 -16.057 1.00 18.68 N
+ATOM 1167 CA GLY E 164 70.326 18.013 -15.776 1.00 16.46 C
+ATOM 1168 C GLY E 164 69.959 18.452 -14.374 1.00 14.44 C
+ATOM 1169 O GLY E 164 69.324 19.486 -14.207 1.00 22.50 O
+ATOM 1170 N TRP E 165 70.342 17.690 -13.364 1.00 13.83 N
+ATOM 1171 CA TRP E 165 70.040 18.051 -11.982 1.00 12.42 C
+ATOM 1172 C TRP E 165 70.754 19.338 -11.575 1.00 10.54 C
+ATOM 1173 O TRP E 165 70.210 20.157 -10.825 1.00 14.36 O
+ATOM 1174 CB TRP E 165 70.474 16.935 -11.021 1.00 12.47 C
+ATOM 1175 CG TRP E 165 69.466 15.869 -10.805 1.00 9.91 C
+ATOM 1176 CD1 TRP E 165 69.634 14.540 -11.013 1.00 9.93 C
+ATOM 1177 CD2 TRP E 165 68.121 16.038 -10.325 1.00 10.03 C
+ATOM 1178 NE1 TRP E 165 68.476 13.862 -10.700 1.00 9.63 N
+ATOM 1179 CE2 TRP E 165 67.534 14.754 -10.273 1.00 12.90 C
+ATOM 1180 CE3 TRP E 165 67.359 17.146 -9.934 1.00 7.19 C
+ATOM 1181 CZ2 TRP E 165 66.220 14.544 -9.846 1.00 5.91 C
+ATOM 1182 CZ3 TRP E 165 66.053 16.940 -9.508 1.00 15.11 C
+ATOM 1183 CH2 TRP E 165 65.497 15.648 -9.467 1.00 10.14 C
+ATOM 1184 N ASP E 166 71.964 19.517 -12.091 1.00 13.52 N
+ATOM 1185 CA ASP E 166 72.782 20.667 -11.744 1.00 12.64 C
+ATOM 1186 C ASP E 166 72.274 22.001 -12.245 1.00 10.65 C
+ATOM 1187 O ASP E 166 72.386 23.000 -11.541 1.00 11.92 O
+ATOM 1188 CB ASP E 166 74.250 20.423 -12.106 1.00 16.83 C
+ATOM 1189 CG ASP E 166 74.489 20.271 -13.605 1.00 26.34 C
+ATOM 1190 OD1 ASP E 166 73.547 19.961 -14.376 1.00 34.31 O
+ATOM 1191 OD2 ASP E 166 75.660 20.459 -14.021 1.00 34.14 O
+ATOM 1192 N ARG E 167 71.633 22.008 -13.406 1.00 9.21 N
+ATOM 1193 CA ARG E 167 71.094 23.241 -13.936 1.00 8.09 C
+ATOM 1194 C ARG E 167 69.909 23.614 -13.072 1.00 11.13 C
+ATOM 1195 O ARG E 167 69.638 24.772 -12.820 1.00 18.93 O
+ATOM 1196 CB ARG E 167 70.632 23.059 -15.374 1.00 14.33 C
+ATOM 1197 CG ARG E 167 70.260 24.371 -16.077 1.00 29.44 C
+ATOM 1198 CD ARG E 167 68.938 24.299 -16.861 1.00 36.73 C
+ATOM 1199 NE ARG E 167 67.753 24.676 -16.070 1.00 45.81 N
+ATOM 1200 CZ ARG E 167 66.824 23.823 -15.621 1.00 49.72 C
+ATOM 1201 NH1 ARG E 167 66.912 22.511 -15.856 1.00 54.90 N
+ATOM 1202 NH2 ARG E 167 65.761 24.288 -14.986 1.00 50.28 N
+ATOM 1203 N PHE E 168 69.221 22.608 -12.581 1.00 11.53 N
+ATOM 1204 CA PHE E 168 68.049 22.801 -11.742 1.00 12.82 C
+ATOM 1205 C PHE E 168 68.452 23.337 -10.376 1.00 16.32 C
+ATOM 1206 O PHE E 168 67.949 24.362 -9.908 1.00 15.71 O
+ATOM 1207 CB PHE E 168 67.344 21.443 -11.604 1.00 11.50 C
+ATOM 1208 CG PHE E 168 66.156 21.453 -10.705 1.00 12.20 C
+ATOM 1209 CD1 PHE E 168 64.937 21.952 -11.146 1.00 16.85 C
+ATOM 1210 CD2 PHE E 168 66.240 20.926 -9.421 1.00 11.25 C
+ATOM 1211 CE1 PHE E 168 63.802 21.926 -10.307 1.00 13.18 C
+ATOM 1212 CE2 PHE E 168 65.125 20.898 -8.586 1.00 9.26 C
+ATOM 1213 CZ PHE E 168 63.903 21.401 -9.033 1.00 11.24 C
+ATOM 1214 N VAL E 169 69.339 22.596 -9.721 1.00 18.51 N
+ATOM 1215 CA VAL E 169 69.821 22.936 -8.391 1.00 13.56 C
+ATOM 1216 C VAL E 169 70.423 24.311 -8.441 1.00 12.57 C
+ATOM 1217 O VAL E 169 70.207 25.107 -7.542 1.00 10.76 O
+ATOM 1218 CB VAL E 169 70.820 21.866 -7.905 1.00 10.27 C
+ATOM 1219 CG1 VAL E 169 71.618 22.342 -6.705 1.00 14.25 C
+ATOM 1220 CG2 VAL E 169 70.045 20.602 -7.540 1.00 10.50 C
+ATOM 1221 N GLY E 170 71.150 24.597 -9.516 1.00 12.10 N
+ATOM 1222 CA GLY E 170 71.742 25.917 -9.683 1.00 9.21 C
+ATOM 1223 C GLY E 170 70.682 27.016 -9.648 1.00 9.21 C
+ATOM 1224 O GLY E 170 70.843 28.025 -8.962 1.00 14.04 O
+ATOM 1225 N GLY E 171 69.586 26.790 -10.368 1.00 9.62 N
+ATOM 1226 CA GLY E 171 68.470 27.716 -10.433 1.00 6.41 C
+ATOM 1227 C GLY E 171 67.921 28.016 -9.061 1.00 6.78 C
+ATOM 1228 O GLY E 171 67.661 29.187 -8.763 1.00 14.74 O
+ATOM 1229 N VAL E 172 67.760 26.994 -8.224 1.00 2.00 N
+ATOM 1230 CA VAL E 172 67.279 27.178 -6.863 1.00 2.00 C
+ATOM 1231 C VAL E 172 68.270 27.940 -5.982 1.00 7.82 C
+ATOM 1232 O VAL E 172 67.870 28.777 -5.175 1.00 15.85 O
+ATOM 1233 CB VAL E 172 66.985 25.825 -6.180 1.00 2.00 C
+ATOM 1234 CG1 VAL E 172 66.611 26.023 -4.694 1.00 2.01 C
+ATOM 1235 CG2 VAL E 172 65.898 25.088 -6.952 1.00 2.00 C
+ATOM 1236 N ILE E 173 69.561 27.647 -6.102 1.00 11.15 N
+ATOM 1237 CA ILE E 173 70.557 28.320 -5.277 1.00 9.11 C
+ATOM 1238 C ILE E 173 70.640 29.763 -5.680 1.00 8.95 C
+ATOM 1239 O ILE E 173 70.748 30.645 -4.829 1.00 10.48 O
+ATOM 1240 CB ILE E 173 71.943 27.709 -5.418 1.00 13.37 C
+ATOM 1241 CG1 ILE E 173 71.971 26.315 -4.805 1.00 11.02 C
+ATOM 1242 CG2 ILE E 173 72.945 28.554 -4.681 1.00 13.35 C
+ATOM 1243 CD1 ILE E 173 73.194 25.525 -5.229 1.00 16.75 C
+ATOM 1244 N ARG E 174 70.558 30.003 -6.980 1.00 8.68 N
+ATOM 1245 CA ARG E 174 70.601 31.364 -7.496 1.00 13.46 C
+ATOM 1246 C ARG E 174 69.495 32.176 -6.845 1.00 12.62 C
+ATOM 1247 O ARG E 174 69.746 33.234 -6.287 1.00 17.20 O
+ATOM 1248 CB ARG E 174 70.439 31.370 -9.005 1.00 18.62 C
+ATOM 1249 CG ARG E 174 70.836 32.656 -9.667 1.00 27.78 C
+ATOM 1250 CD ARG E 174 70.391 32.685 -11.124 1.00 42.76 C
+ATOM 1251 NE ARG E 174 68.929 32.670 -11.248 1.00 49.54 N
+ATOM 1252 CZ ARG E 174 68.228 31.602 -11.616 1.00 51.56 C
+ATOM 1253 NH1 ARG E 174 68.857 30.466 -11.895 1.00 54.72 N
+ATOM 1254 NH2 ARG E 174 66.905 31.664 -11.702 1.00 53.76 N
+ATOM 1255 N ARG E 175 68.280 31.652 -6.856 1.00 13.86 N
+ATOM 1256 CA ARG E 175 67.174 32.349 -6.236 1.00 11.57 C
+ATOM 1257 C ARG E 175 67.361 32.546 -4.740 1.00 11.95 C
+ATOM 1258 O ARG E 175 67.071 33.624 -4.209 1.00 14.01 O
+ATOM 1259 CB ARG E 175 65.875 31.619 -6.504 1.00 13.36 C
+ATOM 1260 CG ARG E 175 65.619 31.480 -7.961 1.00 17.29 C
+ATOM 1261 CD ARG E 175 64.134 31.404 -8.265 1.00 24.17 C
+ATOM 1262 NE ARG E 175 63.981 31.357 -9.708 1.00 28.22 N
+ATOM 1263 CZ ARG E 175 64.351 30.317 -10.443 1.00 33.15 C
+ATOM 1264 NH1 ARG E 175 64.867 29.239 -9.856 1.00 29.53 N
+ATOM 1265 NH2 ARG E 175 64.304 30.398 -11.767 1.00 36.32 N
+ATOM 1266 N LEU E 176 67.842 31.511 -4.055 1.00 11.74 N
+ATOM 1267 CA LEU E 176 68.067 31.590 -2.607 1.00 8.96 C
+ATOM 1268 C LEU E 176 69.015 32.707 -2.211 1.00 7.62 C
+ATOM 1269 O LEU E 176 68.749 33.427 -1.238 1.00 9.74 O
+ATOM 1270 CB LEU E 176 68.656 30.299 -2.099 1.00 7.45 C
+ATOM 1271 CG LEU E 176 68.955 30.276 -0.617 1.00 4.87 C
+ATOM 1272 CD1 LEU E 176 67.652 30.335 0.182 1.00 5.32 C
+ATOM 1273 CD2 LEU E 176 69.729 29.003 -0.364 1.00 3.18 C
+ATOM 1274 N ALA E 177 70.125 32.808 -2.954 1.00 5.61 N
+ATOM 1275 CA ALA E 177 71.183 33.807 -2.748 1.00 8.11 C
+ATOM 1276 C ALA E 177 70.688 35.245 -2.953 1.00 11.33 C
+ATOM 1277 O ALA E 177 71.155 36.185 -2.299 1.00 17.11 O
+ATOM 1278 CB ALA E 177 72.354 33.523 -3.691 1.00 2.00 C
+ATOM 1279 N ALA E 178 69.763 35.401 -3.893 1.00 14.80 N
+ATOM 1280 CA ALA E 178 69.161 36.689 -4.211 1.00 13.57 C
+ATOM 1281 C ALA E 178 68.106 37.021 -3.169 1.00 13.50 C
+ATOM 1282 O ALA E 178 67.971 38.149 -2.759 1.00 20.62 O
+ATOM 1283 CB ALA E 178 68.547 36.651 -5.616 1.00 9.97 C
+ATOM 1284 N ARG E 179 67.392 36.029 -2.689 1.00 15.77 N
+ATOM 1285 CA ARG E 179 66.380 36.296 -1.701 1.00 14.99 C
+ATOM 1286 C ARG E 179 66.915 36.568 -0.306 1.00 15.11 C
+ATOM 1287 O ARG E 179 66.312 37.302 0.435 1.00 16.17 O
+ATOM 1288 CB ARG E 179 65.404 35.126 -1.662 1.00 22.41 C
+ATOM 1289 CG ARG E 179 64.552 35.014 -0.389 1.00 30.22 C
+ATOM 1290 CD ARG E 179 63.683 33.749 -0.437 1.00 36.70 C
+ATOM 1291 NE ARG E 179 62.645 33.724 0.598 1.00 40.60 N
+ATOM 1292 CZ ARG E 179 61.333 33.817 0.369 1.00 40.94 C
+ATOM 1293 NH1 ARG E 179 60.864 33.950 -0.877 1.00 38.28 N
+ATOM 1294 NH2 ARG E 179 60.489 33.755 1.396 1.00 36.98 N
+ATOM 1295 N ARG E 180 68.024 35.954 0.077 1.00 16.40 N
+ATOM 1296 CA ARG E 180 68.543 36.142 1.426 1.00 21.11 C
+ATOM 1297 C ARG E 180 70.044 36.471 1.498 1.00 21.15 C
+ATOM 1298 O ARG E 180 70.909 35.589 1.506 1.00 26.21 O
+ATOM 1299 CB ARG E 180 68.192 34.902 2.282 1.00 27.76 C
+ATOM 1300 CG ARG E 180 68.641 34.964 3.763 1.00 40.13 C
+ATOM 1301 CD ARG E 180 67.572 34.488 4.769 1.00 45.77 C
+ATOM 1302 NE ARG E 180 66.692 35.574 5.211 1.00 50.17 N
+ATOM 1303 CZ ARG E 180 65.675 36.065 4.502 1.00 53.21 C
+ATOM 1304 NH1 ARG E 180 65.383 35.582 3.304 1.00 56.20 N
+ATOM 1305 NH2 ARG E 180 64.934 37.046 4.989 1.00 58.31 N
+ATOM 1306 N PRO E 181 70.379 37.755 1.577 1.00 19.79 N
+ATOM 1307 CA PRO E 181 71.776 38.176 1.652 1.00 16.86 C
+ATOM 1308 C PRO E 181 72.444 37.759 2.975 1.00 11.38 C
+ATOM 1309 O PRO E 181 71.799 37.720 4.016 1.00 16.52 O
+ATOM 1310 CB PRO E 181 71.644 39.688 1.547 1.00 18.62 C
+ATOM 1311 CG PRO E 181 70.380 39.927 2.331 1.00 19.86 C
+ATOM 1312 CD PRO E 181 69.484 38.914 1.694 1.00 19.91 C
+ATOM 1313 N GLY E 182 73.746 37.497 2.935 1.00 5.52 N
+ATOM 1314 CA GLY E 182 74.444 37.104 4.137 1.00 4.37 C
+ATOM 1315 C GLY E 182 74.519 35.611 4.383 1.00 8.22 C
+ATOM 1316 O GLY E 182 74.483 35.187 5.529 1.00 16.45 O
+ATOM 1317 N LEU E 183 74.548 34.802 3.326 1.00 10.14 N
+ATOM 1318 CA LEU E 183 74.663 33.343 3.469 1.00 8.36 C
+ATOM 1319 C LEU E 183 76.154 33.040 3.433 1.00 9.11 C
+ATOM 1320 O LEU E 183 76.928 33.786 2.828 1.00 10.35 O
+ATOM 1321 CB LEU E 183 74.025 32.584 2.286 1.00 5.78 C
+ATOM 1322 CG LEU E 183 72.540 32.706 1.954 1.00 3.96 C
+ATOM 1323 CD1 LEU E 183 72.211 31.863 0.759 1.00 2.00 C
+ATOM 1324 CD2 LEU E 183 71.759 32.243 3.102 1.00 3.67 C
+ATOM 1325 N VAL E 184 76.560 31.966 4.092 1.00 4.22 N
+ATOM 1326 CA VAL E 184 77.950 31.571 4.072 1.00 4.92 C
+ATOM 1327 C VAL E 184 77.948 30.391 3.116 1.00 3.64 C
+ATOM 1328 O VAL E 184 77.047 29.579 3.186 1.00 6.90 O
+ATOM 1329 CB VAL E 184 78.399 31.083 5.467 1.00 4.64 C
+ATOM 1330 CG1 VAL E 184 79.831 30.636 5.445 1.00 2.00 C
+ATOM 1331 CG2 VAL E 184 78.213 32.177 6.490 1.00 2.04 C
+ATOM 1332 N PHE E 185 78.875 30.340 2.167 1.00 4.81 N
+ATOM 1333 CA PHE E 185 78.974 29.202 1.246 1.00 2.60 C
+ATOM 1334 C PHE E 185 80.305 28.491 1.462 1.00 2.00 C
+ATOM 1335 O PHE E 185 81.340 29.139 1.479 1.00 4.25 O
+ATOM 1336 CB PHE E 185 78.944 29.644 -0.211 1.00 2.00 C
+ATOM 1337 CG PHE E 185 77.605 30.057 -0.697 1.00 4.91 C
+ATOM 1338 CD1 PHE E 185 77.128 31.342 -0.451 1.00 2.00 C
+ATOM 1339 CD2 PHE E 185 76.824 29.173 -1.450 1.00 6.17 C
+ATOM 1340 CE1 PHE E 185 75.895 31.738 -0.950 1.00 2.04 C
+ATOM 1341 CE2 PHE E 185 75.583 29.578 -1.952 1.00 2.97 C
+ATOM 1342 CZ PHE E 185 75.122 30.864 -1.699 1.00 2.00 C
+ATOM 1343 N MET E 186 80.288 27.176 1.665 1.00 2.00 N
+ATOM 1344 CA MET E 186 81.533 26.412 1.823 1.00 3.01 C
+ATOM 1345 C MET E 186 81.659 25.578 0.544 1.00 2.00 C
+ATOM 1346 O MET E 186 80.862 24.700 0.297 1.00 2.00 O
+ATOM 1347 CB MET E 186 81.492 25.536 3.079 1.00 2.00 C
+ATOM 1348 CG MET E 186 81.324 26.335 4.352 1.00 2.00 C
+ATOM 1349 SD MET E 186 81.307 25.307 5.825 1.00 2.02 S
+ATOM 1350 CE MET E 186 80.983 26.477 7.068 1.00 2.01 C
+ATOM 1351 N LEU E 187 82.612 25.930 -0.310 1.00 5.79 N
+ATOM 1352 CA LEU E 187 82.805 25.248 -1.582 1.00 5.53 C
+ATOM 1353 C LEU E 187 84.086 24.434 -1.518 1.00 9.07 C
+ATOM 1354 O LEU E 187 85.176 25.009 -1.490 1.00 10.45 O
+ATOM 1355 CB LEU E 187 82.853 26.288 -2.706 1.00 5.25 C
+ATOM 1356 CG LEU E 187 81.604 27.188 -2.753 1.00 3.14 C
+ATOM 1357 CD1 LEU E 187 81.852 28.368 -3.643 1.00 2.01 C
+ATOM 1358 CD2 LEU E 187 80.370 26.400 -3.186 1.00 2.01 C
+ATOM 1359 N TRP E 188 83.949 23.099 -1.478 1.00 8.70 N
+ATOM 1360 CA TRP E 188 85.092 22.185 -1.361 1.00 5.75 C
+ATOM 1361 C TRP E 188 85.486 21.440 -2.638 1.00 8.47 C
+ATOM 1362 O TRP E 188 84.729 20.614 -3.164 1.00 6.37 O
+ATOM 1363 CB TRP E 188 84.849 21.209 -0.228 1.00 4.04 C
+ATOM 1364 CG TRP E 188 84.570 21.886 1.082 1.00 2.01 C
+ATOM 1365 CD1 TRP E 188 85.066 23.080 1.509 1.00 3.34 C
+ATOM 1366 CD2 TRP E 188 83.762 21.383 2.153 1.00 2.00 C
+ATOM 1367 NE1 TRP E 188 84.624 23.347 2.775 1.00 2.00 N
+ATOM 1368 CE2 TRP E 188 83.819 22.319 3.191 1.00 2.00 C
+ATOM 1369 CE3 TRP E 188 83.006 20.221 2.337 1.00 3.16 C
+ATOM 1370 CZ2 TRP E 188 83.149 22.127 4.406 1.00 2.00 C
+ATOM 1371 CZ3 TRP E 188 82.342 20.031 3.547 1.00 2.00 C
+ATOM 1372 CH2 TRP E 188 82.419 20.976 4.561 1.00 2.00 C
+ATOM 1373 N GLY E 189 86.694 21.716 -3.124 1.00 8.35 N
+ATOM 1374 CA GLY E 189 87.147 21.085 -4.347 1.00 9.85 C
+ATOM 1375 C GLY E 189 86.853 21.989 -5.522 1.00 11.98 C
+ATOM 1376 O GLY E 189 85.910 22.750 -5.475 1.00 13.22 O
+ATOM 1377 N THR E 190 87.628 21.892 -6.590 1.00 12.18 N
+ATOM 1378 CA THR E 190 87.432 22.750 -7.745 1.00 13.04 C
+ATOM 1379 C THR E 190 86.070 22.582 -8.377 1.00 12.57 C
+ATOM 1380 O THR E 190 85.446 23.545 -8.792 1.00 16.73 O
+ATOM 1381 CB THR E 190 88.495 22.481 -8.814 1.00 15.79 C
+ATOM 1382 OG1 THR E 190 89.796 22.649 -8.246 1.00 23.06 O
+ATOM 1383 CG2 THR E 190 88.334 23.445 -9.982 1.00 18.51 C
+ATOM 1384 N HIS E 191 85.616 21.350 -8.488 1.00 16.77 N
+ATOM 1385 CA HIS E 191 84.326 21.095 -9.099 1.00 15.32 C
+ATOM 1386 C HIS E 191 83.198 21.938 -8.467 1.00 14.69 C
+ATOM 1387 O HIS E 191 82.416 22.578 -9.170 1.00 22.94 O
+ATOM 1388 CB HIS E 191 84.003 19.606 -9.004 1.00 16.62 C
+ATOM 1389 CG HIS E 191 82.702 19.251 -9.635 1.00 19.67 C
+ATOM 1390 ND1 HIS E 191 82.584 18.949 -10.974 1.00 21.28 N
+ATOM 1391 CD2 HIS E 191 81.441 19.234 -9.132 1.00 24.37 C
+ATOM 1392 CE1 HIS E 191 81.307 18.767 -11.271 1.00 19.75 C
+ATOM 1393 NE2 HIS E 191 80.594 18.935 -10.171 1.00 19.41 N
+ATOM 1394 N ALA E 192 83.128 21.942 -7.144 1.00 11.22 N
+ATOM 1395 CA ALA E 192 82.114 22.683 -6.412 1.00 11.05 C
+ATOM 1396 C ALA E 192 82.311 24.178 -6.554 1.00 10.89 C
+ATOM 1397 O ALA E 192 81.355 24.936 -6.606 1.00 15.64 O
+ATOM 1398 CB ALA E 192 82.140 22.290 -4.932 1.00 8.25 C
+ATOM 1399 N GLN E 193 83.563 24.595 -6.588 1.00 9.52 N
+ATOM 1400 CA GLN E 193 83.900 26.003 -6.732 1.00 12.02 C
+ATOM 1401 C GLN E 193 83.473 26.528 -8.104 1.00 10.18 C
+ATOM 1402 O GLN E 193 82.938 27.621 -8.189 1.00 13.64 O
+ATOM 1403 CB GLN E 193 85.402 26.209 -6.515 1.00 5.76 C
+ATOM 1404 CG GLN E 193 85.877 25.904 -5.119 1.00 6.12 C
+ATOM 1405 CD GLN E 193 87.391 25.852 -5.020 1.00 18.78 C
+ATOM 1406 OE1 GLN E 193 88.103 26.330 -5.906 1.00 23.26 O
+ATOM 1407 NE2 GLN E 193 87.899 25.252 -3.941 1.00 25.11 N
+ATOM 1408 N ASN E 194 83.650 25.731 -9.158 1.00 11.05 N
+ATOM 1409 CA ASN E 194 83.281 26.153 -10.513 1.00 14.45 C
+ATOM 1410 C ASN E 194 81.795 26.035 -10.747 1.00 14.88 C
+ATOM 1411 O ASN E 194 81.253 26.591 -11.687 1.00 16.88 O
+ATOM 1412 CB ASN E 194 83.958 25.288 -11.579 1.00 17.94 C
+ATOM 1413 CG ASN E 194 85.466 25.382 -11.568 1.00 22.94 C
+ATOM 1414 OD1 ASN E 194 86.050 26.287 -10.976 1.00 35.29 O
+ATOM 1415 ND2 ASN E 194 86.114 24.430 -12.225 1.00 28.80 N
+ATOM 1416 N ALA E 195 81.134 25.244 -9.933 1.00 16.29 N
+ATOM 1417 CA ALA E 195 79.708 25.031 -10.103 1.00 17.95 C
+ATOM 1418 C ALA E 195 78.831 26.161 -9.565 1.00 22.39 C
+ATOM 1419 O ALA E 195 77.826 26.539 -10.177 1.00 25.13 O
+ATOM 1420 CB ALA E 195 79.321 23.697 -9.438 1.00 19.70 C
+ATOM 1421 N ILE E 196 79.174 26.647 -8.375 1.00 27.56 N
+ATOM 1422 CA ILE E 196 78.403 27.686 -7.707 1.00 22.95 C
+ATOM 1423 C ILE E 196 79.270 28.921 -7.599 1.00 24.68 C
+ATOM 1424 O ILE E 196 80.353 28.878 -7.012 1.00 22.94 O
+ATOM 1425 CB ILE E 196 77.988 27.204 -6.291 1.00 19.98 C
+ATOM 1426 CG1 ILE E 196 77.239 25.871 -6.392 1.00 23.08 C
+ATOM 1427 CG2 ILE E 196 77.101 28.210 -5.586 1.00 18.92 C
+ATOM 1428 CD1 ILE E 196 75.956 25.918 -7.219 1.00 23.51 C
+ATOM 1429 N ARG E 197 78.792 30.023 -8.170 1.00 26.91 N
+ATOM 1430 CA ARG E 197 79.533 31.282 -8.126 1.00 28.61 C
+ATOM 1431 C ARG E 197 78.715 32.403 -7.470 1.00 26.50 C
+ATOM 1432 O ARG E 197 78.273 33.326 -8.154 1.00 27.98 O
+ATOM 1433 CB ARG E 197 79.934 31.705 -9.548 1.00 36.11 C
+ATOM 1434 CG ARG E 197 80.459 30.567 -10.437 1.00 45.95 C
+ATOM 1435 CD ARG E 197 81.728 29.922 -9.884 1.00 53.47 C
+ATOM 1436 NE ARG E 197 82.933 30.267 -10.645 1.00 66.73 N
+ATOM 1437 CZ ARG E 197 83.120 29.997 -11.942 1.00 72.71 C
+ATOM 1438 NH1 ARG E 197 82.176 29.375 -12.652 1.00 73.55 N
+ATOM 1439 NH2 ARG E 197 84.269 30.330 -12.531 1.00 73.63 N
+ATOM 1440 N PRO E 198 78.487 32.335 -6.139 1.00 21.81 N
+ATOM 1441 CA PRO E 198 77.709 33.384 -5.468 1.00 18.20 C
+ATOM 1442 C PRO E 198 78.436 34.739 -5.397 1.00 12.33 C
+ATOM 1443 O PRO E 198 79.658 34.795 -5.464 1.00 12.42 O
+ATOM 1444 CB PRO E 198 77.461 32.773 -4.087 1.00 12.29 C
+ATOM 1445 CG PRO E 198 78.701 32.019 -3.856 1.00 15.40 C
+ATOM 1446 CD PRO E 198 78.900 31.308 -5.166 1.00 16.19 C
+ATOM 1447 N ASP E 199 77.674 35.825 -5.274 1.00 12.65 N
+ATOM 1448 CA ASP E 199 78.255 37.167 -5.195 1.00 10.35 C
+ATOM 1449 C ASP E 199 79.075 37.251 -3.936 1.00 10.65 C
+ATOM 1450 O ASP E 199 78.521 37.132 -2.847 1.00 13.95 O
+ATOM 1451 CB ASP E 199 77.159 38.216 -5.099 1.00 15.35 C
+ATOM 1452 CG ASP E 199 77.670 39.630 -5.306 1.00 18.24 C
+ATOM 1453 OD1 ASP E 199 78.857 39.924 -5.056 1.00 19.22 O
+ATOM 1454 OD2 ASP E 199 76.848 40.463 -5.728 1.00 23.25 O
+ATOM 1455 N PRO E 200 80.369 37.576 -4.053 1.00 8.19 N
+ATOM 1456 CA PRO E 200 81.150 37.644 -2.822 1.00 7.82 C
+ATOM 1457 C PRO E 200 81.056 38.951 -2.055 1.00 8.13 C
+ATOM 1458 O PRO E 200 81.644 39.090 -0.990 1.00 11.52 O
+ATOM 1459 CB PRO E 200 82.563 37.303 -3.292 1.00 5.12 C
+ATOM 1460 CG PRO E 200 82.612 37.856 -4.671 1.00 3.27 C
+ATOM 1461 CD PRO E 200 81.222 37.686 -5.253 1.00 5.89 C
+ATOM 1462 N ARG E 201 80.309 39.919 -2.569 1.00 10.13 N
+ATOM 1463 CA ARG E 201 80.163 41.195 -1.852 1.00 8.89 C
+ATOM 1464 C ARG E 201 78.948 41.126 -0.922 1.00 8.11 C
+ATOM 1465 O ARG E 201 78.850 41.857 0.060 1.00 12.53 O
+ATOM 1466 CB ARG E 201 79.969 42.336 -2.843 1.00 10.98 C
+ATOM 1467 CG ARG E 201 81.034 42.421 -3.937 1.00 2.00 C
+ATOM 1468 CD ARG E 201 80.562 43.347 -5.030 1.00 2.67 C
+ATOM 1469 NE ARG E 201 79.267 42.921 -5.571 1.00 7.76 N
+ATOM 1470 CZ ARG E 201 78.631 43.543 -6.556 1.00 9.02 C
+ATOM 1471 NH1 ARG E 201 79.156 44.632 -7.099 1.00 13.21 N
+ATOM 1472 NH2 ARG E 201 77.529 43.024 -7.072 1.00 9.63 N
+ATOM 1473 N VAL E 202 78.037 40.217 -1.250 1.00 7.00 N
+ATOM 1474 CA VAL E 202 76.812 39.996 -0.506 1.00 2.87 C
+ATOM 1475 C VAL E 202 76.891 38.786 0.431 1.00 6.30 C
+ATOM 1476 O VAL E 202 76.154 38.740 1.416 1.00 11.77 O
+ATOM 1477 CB VAL E 202 75.648 39.753 -1.502 1.00 2.00 C
+ATOM 1478 CG1 VAL E 202 74.342 39.620 -0.788 1.00 2.00 C
+ATOM 1479 CG2 VAL E 202 75.575 40.870 -2.488 1.00 2.00 C
+ATOM 1480 N HIS E 203 77.700 37.774 0.072 1.00 6.76 N
+ATOM 1481 CA HIS E 203 77.853 36.538 0.851 1.00 3.03 C
+ATOM 1482 C HIS E 203 79.290 36.214 1.126 1.00 6.52 C
+ATOM 1483 O HIS E 203 80.175 36.686 0.395 1.00 9.38 O
+ATOM 1484 CB HIS E 203 77.307 35.352 0.085 1.00 2.87 C
+ATOM 1485 CG HIS E 203 75.880 35.503 -0.310 1.00 2.51 C
+ATOM 1486 ND1 HIS E 203 75.498 35.796 -1.596 1.00 2.00 N
+ATOM 1487 CD2 HIS E 203 74.745 35.488 0.426 1.00 5.56 C
+ATOM 1488 CE1 HIS E 203 74.188 35.967 -1.639 1.00 2.82 C
+ATOM 1489 NE2 HIS E 203 73.706 35.787 -0.424 1.00 7.04 N
+ATOM 1490 N CYS E 204 79.505 35.398 2.172 1.00 5.05 N
+ATOM 1491 CA CYS E 204 80.828 34.908 2.594 1.00 2.52 C
+ATOM 1492 C CYS E 204 81.107 33.628 1.801 1.00 3.29 C
+ATOM 1493 O CYS E 204 80.502 32.598 2.067 1.00 2.01 O
+ATOM 1494 CB CYS E 204 80.796 34.553 4.077 1.00 3.22 C
+ATOM 1495 SG CYS E 204 82.315 34.197 4.870 1.00 11.70 S
+ATOM 1496 N VAL E 205 81.944 33.708 0.776 1.00 2.00 N
+ATOM 1497 CA VAL E 205 82.271 32.525 -0.010 1.00 3.63 C
+ATOM 1498 C VAL E 205 83.607 31.908 0.470 1.00 4.03 C
+ATOM 1499 O VAL E 205 84.662 32.533 0.333 1.00 10.08 O
+ATOM 1500 CB VAL E 205 82.372 32.880 -1.502 1.00 2.84 C
+ATOM 1501 CG1 VAL E 205 82.534 31.615 -2.339 1.00 2.03 C
+ATOM 1502 CG2 VAL E 205 81.153 33.659 -1.927 1.00 2.00 C
+ATOM 1503 N LEU E 206 83.547 30.730 1.089 1.00 2.40 N
+ATOM 1504 CA LEU E 206 84.721 30.045 1.593 1.00 2.00 C
+ATOM 1505 C LEU E 206 85.068 28.869 0.690 1.00 3.39 C
+ATOM 1506 O LEU E 206 84.252 28.009 0.442 1.00 3.64 O
+ATOM 1507 CB LEU E 206 84.479 29.568 3.021 1.00 2.00 C
+ATOM 1508 CG LEU E 206 84.132 30.633 4.083 1.00 4.32 C
+ATOM 1509 CD1 LEU E 206 83.684 30.036 5.400 1.00 2.01 C
+ATOM 1510 CD2 LEU E 206 85.339 31.498 4.326 1.00 2.93 C
+ATOM 1511 N LYS E 207 86.311 28.819 0.244 1.00 4.74 N
+ATOM 1512 CA LYS E 207 86.811 27.786 -0.640 1.00 2.52 C
+ATOM 1513 C LYS E 207 87.899 26.938 0.003 1.00 3.46 C
+ATOM 1514 O LYS E 207 88.618 27.416 0.864 1.00 9.88 O
+ATOM 1515 CB LYS E 207 87.382 28.449 -1.866 1.00 2.01 C
+ATOM 1516 CG LYS E 207 86.353 29.233 -2.625 1.00 13.19 C
+ATOM 1517 CD LYS E 207 86.913 29.737 -3.941 1.00 21.88 C
+ATOM 1518 CE LYS E 207 85.782 30.195 -4.853 1.00 28.62 C
+ATOM 1519 NZ LYS E 207 86.238 30.576 -6.228 1.00 33.67 N
+ATOM 1520 N PHE E 208 88.002 25.670 -0.380 1.00 3.23 N
+ATOM 1521 CA PHE E 208 89.025 24.794 0.167 1.00 2.00 C
+ATOM 1522 C PHE E 208 89.123 23.580 -0.749 1.00 6.58 C
+ATOM 1523 O PHE E 208 88.371 23.453 -1.732 1.00 8.31 O
+ATOM 1524 CB PHE E 208 88.656 24.356 1.594 1.00 2.00 C
+ATOM 1525 CG PHE E 208 89.848 23.936 2.463 1.00 4.95 C
+ATOM 1526 CD1 PHE E 208 90.714 24.885 3.001 1.00 7.01 C
+ATOM 1527 CD2 PHE E 208 90.079 22.596 2.760 1.00 9.63 C
+ATOM 1528 CE1 PHE E 208 91.781 24.503 3.813 1.00 2.00 C
+ATOM 1529 CE2 PHE E 208 91.143 22.206 3.569 1.00 6.85 C
+ATOM 1530 CZ PHE E 208 91.992 23.154 4.096 1.00 6.69 C
+ATOM 1531 N SER E 209 90.134 22.759 -0.490 1.00 7.67 N
+ATOM 1532 CA SER E 209 90.349 21.524 -1.228 1.00 10.20 C
+ATOM 1533 C SER E 209 89.343 20.488 -0.692 1.00 9.21 C
+ATOM 1534 O SER E 209 88.872 20.584 0.452 1.00 6.60 O
+ATOM 1535 CB SER E 209 91.809 21.033 -1.070 1.00 11.50 C
+ATOM 1536 OG SER E 209 92.321 21.219 0.242 1.00 10.87 O
+ATOM 1537 N HIS E 210 88.990 19.521 -1.531 1.00 9.98 N
+ATOM 1538 CA HIS E 210 88.009 18.510 -1.155 1.00 9.30 C
+ATOM 1539 C HIS E 210 88.401 17.799 0.118 1.00 8.75 C
+ATOM 1540 O HIS E 210 89.590 17.711 0.416 1.00 7.99 O
+ATOM 1541 CB HIS E 210 87.826 17.486 -2.268 1.00 2.00 C
+ATOM 1542 CG HIS E 210 86.546 16.735 -2.153 1.00 2.00 C
+ATOM 1543 ND1 HIS E 210 86.388 15.656 -1.311 1.00 6.06 N
+ATOM 1544 CD2 HIS E 210 85.344 16.942 -2.729 1.00 2.01 C
+ATOM 1545 CE1 HIS E 210 85.142 15.229 -1.369 1.00 6.78 C
+ATOM 1546 NE2 HIS E 210 84.488 15.993 -2.226 1.00 10.52 N
+ATOM 1547 N PRO E 211 87.413 17.323 0.904 1.00 4.57 N
+ATOM 1548 CA PRO E 211 87.714 16.617 2.144 1.00 3.99 C
+ATOM 1549 C PRO E 211 88.304 15.240 1.869 1.00 6.36 C
+ATOM 1550 O PRO E 211 88.752 14.582 2.787 1.00 5.76 O
+ATOM 1551 CB PRO E 211 86.332 16.466 2.808 1.00 2.01 C
+ATOM 1552 CG PRO E 211 85.552 17.526 2.272 1.00 4.09 C
+ATOM 1553 CD PRO E 211 85.969 17.593 0.824 1.00 4.73 C
+ATOM 1554 N SER E 212 88.296 14.801 0.613 1.00 5.13 N
+ATOM 1555 CA SER E 212 88.818 13.494 0.257 1.00 7.40 C
+ATOM 1556 C SER E 212 90.202 13.301 0.830 1.00 6.88 C
+ATOM 1557 O SER E 212 90.992 14.227 0.906 1.00 8.68 O
+ATOM 1558 CB SER E 212 88.924 13.325 -1.245 1.00 8.64 C
+ATOM 1559 OG SER E 212 89.748 12.196 -1.514 1.00 6.82 O
+ATOM 1560 N PRO E 213 90.556 12.055 1.126 1.00 11.09 N
+ATOM 1561 CA PRO E 213 91.886 11.826 1.686 1.00 8.04 C
+ATOM 1562 C PRO E 213 93.001 11.994 0.645 1.00 9.80 C
+ATOM 1563 O PRO E 213 94.169 12.044 1.009 1.00 12.86 O
+ATOM 1564 CB PRO E 213 91.804 10.375 2.178 1.00 8.03 C
+ATOM 1565 CG PRO E 213 90.308 10.081 2.250 1.00 13.63 C
+ATOM 1566 CD PRO E 213 89.804 10.796 1.026 1.00 7.80 C
+ATOM 1567 N LEU E 214 92.667 12.077 -0.644 1.00 12.13 N
+ATOM 1568 CA LEU E 214 93.724 12.209 -1.648 1.00 11.69 C
+ATOM 1569 C LEU E 214 94.266 13.600 -1.698 1.00 14.24 C
+ATOM 1570 O LEU E 214 95.393 13.800 -2.095 1.00 23.14 O
+ATOM 1571 CB LEU E 214 93.240 11.851 -3.045 1.00 8.19 C
+ATOM 1572 CG LEU E 214 94.352 11.739 -4.101 1.00 10.15 C
+ATOM 1573 CD1 LEU E 214 95.231 10.538 -3.800 1.00 10.98 C
+ATOM 1574 CD2 LEU E 214 93.759 11.568 -5.473 1.00 11.35 C
+ATOM 1575 N SER E 215 93.450 14.565 -1.310 1.00 14.98 N
+ATOM 1576 CA SER E 215 93.832 15.969 -1.328 1.00 15.52 C
+ATOM 1577 C SER E 215 95.212 16.247 -0.754 1.00 16.81 C
+ATOM 1578 O SER E 215 95.593 15.688 0.279 1.00 18.14 O
+ATOM 1579 CB SER E 215 92.782 16.790 -0.584 1.00 16.09 C
+ATOM 1580 OG SER E 215 91.625 16.921 -1.386 1.00 19.21 O
+ATOM 1581 N LYS E 216 95.932 17.149 -1.413 1.00 18.31 N
+ATOM 1582 CA LYS E 216 97.270 17.529 -0.995 1.00 22.79 C
+ATOM 1583 C LYS E 216 97.295 18.119 0.423 1.00 22.87 C
+ATOM 1584 O LYS E 216 98.195 17.831 1.212 1.00 23.30 O
+ATOM 1585 CB LYS E 216 97.854 18.509 -2.015 1.00 26.84 C
+ATOM 1586 CG LYS E 216 99.372 18.446 -2.165 1.00 33.32 C
+ATOM 1587 CD LYS E 216 100.078 19.438 -1.257 1.00 39.62 C
+ATOM 1588 CE LYS E 216 99.787 20.893 -1.682 1.00 50.08 C
+ATOM 1589 NZ LYS E 216 100.314 21.944 -0.729 1.00 49.56 N
+ATOM 1590 N VAL E 217 96.275 18.902 0.761 1.00 24.53 N
+ATOM 1591 CA VAL E 217 96.199 19.534 2.075 1.00 19.77 C
+ATOM 1592 C VAL E 217 95.231 18.802 3.016 1.00 19.97 C
+ATOM 1593 O VAL E 217 94.052 18.617 2.692 1.00 25.58 O
+ATOM 1594 CB VAL E 217 95.761 20.990 1.930 1.00 15.09 C
+ATOM 1595 CG1 VAL E 217 95.981 21.722 3.205 1.00 18.65 C
+ATOM 1596 CG2 VAL E 217 96.514 21.645 0.820 1.00 18.30 C
+ATOM 1597 N PRO E 218 95.708 18.372 4.195 1.00 16.26 N
+ATOM 1598 CA PRO E 218 94.755 17.680 5.057 1.00 15.42 C
+ATOM 1599 C PRO E 218 93.591 18.565 5.461 1.00 14.32 C
+ATOM 1600 O PRO E 218 93.772 19.644 6.003 1.00 13.77 O
+ATOM 1601 CB PRO E 218 95.620 17.208 6.242 1.00 11.54 C
+ATOM 1602 CG PRO E 218 96.751 18.133 6.258 1.00 14.44 C
+ATOM 1603 CD PRO E 218 97.052 18.349 4.786 1.00 18.69 C
+ATOM 1604 N PHE E 219 92.390 18.081 5.170 1.00 18.14 N
+ATOM 1605 CA PHE E 219 91.164 18.796 5.477 1.00 17.04 C
+ATOM 1606 C PHE E 219 90.992 19.068 6.957 1.00 16.23 C
+ATOM 1607 O PHE E 219 90.240 19.959 7.352 1.00 21.49 O
+ATOM 1608 CB PHE E 219 89.943 18.023 4.966 1.00 15.88 C
+ATOM 1609 CG PHE E 219 88.714 18.874 4.840 1.00 11.45 C
+ATOM 1610 CD1 PHE E 219 88.560 19.720 3.754 1.00 9.72 C
+ATOM 1611 CD2 PHE E 219 87.741 18.865 5.827 1.00 6.01 C
+ATOM 1612 CE1 PHE E 219 87.462 20.541 3.663 1.00 12.24 C
+ATOM 1613 CE2 PHE E 219 86.653 19.680 5.739 1.00 3.13 C
+ATOM 1614 CZ PHE E 219 86.507 20.520 4.660 1.00 4.24 C
+ATOM 1615 N GLY E 220 91.639 18.272 7.789 1.00 16.89 N
+ATOM 1616 CA GLY E 220 91.522 18.487 9.219 1.00 15.24 C
+ATOM 1617 C GLY E 220 92.071 19.843 9.620 1.00 14.94 C
+ATOM 1618 O GLY E 220 91.918 20.235 10.766 1.00 17.32 O
+ATOM 1619 N THR E 221 92.728 20.540 8.695 1.00 10.62 N
+ATOM 1620 CA THR E 221 93.284 21.865 8.951 1.00 11.92 C
+ATOM 1621 C THR E 221 92.355 23.005 8.465 1.00 14.58 C
+ATOM 1622 O THR E 221 92.723 24.196 8.502 1.00 18.88 O
+ATOM 1623 CB THR E 221 94.662 22.018 8.252 1.00 12.06 C
+ATOM 1624 OG1 THR E 221 94.504 21.971 6.824 1.00 7.03 O
+ATOM 1625 CG2 THR E 221 95.595 20.905 8.689 1.00 12.43 C
+ATOM 1626 N CYS E 222 91.190 22.630 7.946 1.00 13.86 N
+ATOM 1627 CA CYS E 222 90.206 23.569 7.442 1.00 13.16 C
+ATOM 1628 C CYS E 222 89.504 24.289 8.605 1.00 14.58 C
+ATOM 1629 O CYS E 222 88.980 23.655 9.521 1.00 20.44 O
+ATOM 1630 CB CYS E 222 89.181 22.806 6.599 1.00 16.37 C
+ATOM 1631 SG CYS E 222 87.958 23.766 5.725 1.00 12.45 S
+ATOM 1632 N GLN E 223 89.458 25.616 8.559 1.00 14.20 N
+ATOM 1633 CA GLN E 223 88.808 26.339 9.632 1.00 10.29 C
+ATOM 1634 C GLN E 223 87.532 27.028 9.263 1.00 11.21 C
+ATOM 1635 O GLN E 223 87.098 27.935 9.973 1.00 14.15 O
+ATOM 1636 CB GLN E 223 89.754 27.333 10.244 1.00 17.23 C
+ATOM 1637 CG GLN E 223 90.955 26.683 10.861 1.00 26.97 C
+ATOM 1638 CD GLN E 223 91.459 27.487 12.010 1.00 36.45 C
+ATOM 1639 OE1 GLN E 223 92.199 28.465 11.818 1.00 42.48 O
+ATOM 1640 NE2 GLN E 223 91.009 27.137 13.224 1.00 37.41 N
+ATOM 1641 N HIS E 224 86.888 26.547 8.205 1.00 6.99 N
+ATOM 1642 CA HIS E 224 85.632 27.103 7.721 1.00 5.60 C
+ATOM 1643 C HIS E 224 84.529 27.205 8.756 1.00 6.26 C
+ATOM 1644 O HIS E 224 83.783 28.187 8.782 1.00 8.63 O
+ATOM 1645 CB HIS E 224 85.140 26.310 6.518 1.00 7.72 C
+ATOM 1646 CG HIS E 224 85.895 26.610 5.267 1.00 8.78 C
+ATOM 1647 ND1 HIS E 224 85.475 26.191 4.025 1.00 5.93 N
+ATOM 1648 CD2 HIS E 224 87.022 27.333 5.060 1.00 5.39 C
+ATOM 1649 CE1 HIS E 224 86.307 26.649 3.106 1.00 7.72 C
+ATOM 1650 NE2 HIS E 224 87.254 27.344 3.710 1.00 7.69 N
+ATOM 1651 N PHE E 225 84.428 26.195 9.615 1.00 8.49 N
+ATOM 1652 CA PHE E 225 83.400 26.171 10.659 1.00 5.44 C
+ATOM 1653 C PHE E 225 83.596 27.308 11.669 1.00 6.11 C
+ATOM 1654 O PHE E 225 82.640 27.858 12.200 1.00 11.02 O
+ATOM 1655 CB PHE E 225 83.414 24.804 11.321 1.00 5.35 C
+ATOM 1656 CG PHE E 225 83.434 23.676 10.329 1.00 4.48 C
+ATOM 1657 CD1 PHE E 225 82.252 23.233 9.739 1.00 5.11 C
+ATOM 1658 CD2 PHE E 225 84.645 23.123 9.908 1.00 7.34 C
+ATOM 1659 CE1 PHE E 225 82.268 22.263 8.733 1.00 6.22 C
+ATOM 1660 CE2 PHE E 225 84.684 22.150 8.900 1.00 8.69 C
+ATOM 1661 CZ PHE E 225 83.479 21.722 8.308 1.00 5.74 C
+ATOM 1662 N LEU E 226 84.849 27.705 11.859 1.00 6.85 N
+ATOM 1663 CA LEU E 226 85.200 28.775 12.770 1.00 7.03 C
+ATOM 1664 C LEU E 226 84.932 30.150 12.116 1.00 8.83 C
+ATOM 1665 O LEU E 226 84.362 31.040 12.734 1.00 11.36 O
+ATOM 1666 CB LEU E 226 86.664 28.621 13.118 1.00 12.24 C
+ATOM 1667 CG LEU E 226 87.231 29.409 14.285 1.00 16.80 C
+ATOM 1668 CD1 LEU E 226 86.145 29.708 15.316 1.00 13.95 C
+ATOM 1669 CD2 LEU E 226 88.369 28.583 14.875 1.00 20.40 C
+ATOM 1670 N VAL E 227 85.345 30.297 10.860 1.00 4.15 N
+ATOM 1671 CA VAL E 227 85.162 31.519 10.090 1.00 4.11 C
+ATOM 1672 C VAL E 227 83.676 31.782 9.816 1.00 9.59 C
+ATOM 1673 O VAL E 227 83.223 32.936 9.824 1.00 15.02 O
+ATOM 1674 CB VAL E 227 85.900 31.435 8.737 1.00 3.51 C
+ATOM 1675 CG1 VAL E 227 85.743 32.728 7.970 1.00 2.00 C
+ATOM 1676 CG2 VAL E 227 87.348 31.097 8.938 1.00 2.00 C
+ATOM 1677 N ALA E 228 82.934 30.723 9.511 1.00 10.52 N
+ATOM 1678 CA ALA E 228 81.502 30.818 9.266 1.00 9.29 C
+ATOM 1679 C ALA E 228 80.848 31.441 10.484 1.00 9.03 C
+ATOM 1680 O ALA E 228 80.119 32.403 10.371 1.00 13.21 O
+ATOM 1681 CB ALA E 228 80.916 29.440 9.038 1.00 8.40 C
+ATOM 1682 N ASN E 229 81.116 30.898 11.663 1.00 10.35 N
+ATOM 1683 CA ASN E 229 80.525 31.431 12.886 1.00 8.45 C
+ATOM 1684 C ASN E 229 80.984 32.857 13.223 1.00 8.01 C
+ATOM 1685 O ASN E 229 80.195 33.653 13.699 1.00 12.28 O
+ATOM 1686 CB ASN E 229 80.774 30.474 14.055 1.00 8.39 C
+ATOM 1687 CG ASN E 229 79.811 29.296 14.056 1.00 11.39 C
+ATOM 1688 OD1 ASN E 229 78.782 29.328 13.373 1.00 9.57 O
+ATOM 1689 ND2 ASN E 229 80.110 28.272 14.851 1.00 9.06 N
+ATOM 1690 N ARG E 230 82.249 33.185 12.951 1.00 10.57 N
+ATOM 1691 CA ARG E 230 82.770 34.509 13.236 1.00 10.94 C
+ATOM 1692 C ARG E 230 82.032 35.501 12.374 1.00 11.53 C
+ATOM 1693 O ARG E 230 81.726 36.606 12.823 1.00 15.94 O
+ATOM 1694 CB ARG E 230 84.290 34.573 13.032 1.00 12.48 C
+ATOM 1695 CG ARG E 230 85.048 33.852 14.180 1.00 18.81 C
+ATOM 1696 CD ARG E 230 86.568 34.003 14.130 1.00 23.97 C
+ATOM 1697 NE ARG E 230 87.221 33.421 15.311 1.00 28.28 N
+ATOM 1698 CZ ARG E 230 88.533 33.153 15.414 1.00 31.80 C
+ATOM 1699 NH1 ARG E 230 89.370 33.405 14.411 1.00 32.67 N
+ATOM 1700 NH2 ARG E 230 89.024 32.641 16.541 1.00 30.09 N
+ATOM 1701 N TYR E 231 81.671 35.066 11.167 1.00 9.56 N
+ATOM 1702 CA TYR E 231 80.913 35.891 10.228 1.00 6.57 C
+ATOM 1703 C TYR E 231 79.467 36.112 10.687 1.00 11.46 C
+ATOM 1704 O TYR E 231 78.940 37.218 10.621 1.00 11.92 O
+ATOM 1705 CB TYR E 231 80.885 35.224 8.863 1.00 2.00 C
+ATOM 1706 CG TYR E 231 80.000 35.952 7.876 1.00 6.73 C
+ATOM 1707 CD1 TYR E 231 80.509 37.000 7.126 1.00 8.33 C
+ATOM 1708 CD2 TYR E 231 78.673 35.551 7.639 1.00 6.27 C
+ATOM 1709 CE1 TYR E 231 79.745 37.630 6.162 1.00 10.73 C
+ATOM 1710 CE2 TYR E 231 77.893 36.178 6.659 1.00 4.20 C
+ATOM 1711 CZ TYR E 231 78.451 37.221 5.931 1.00 6.61 C
+ATOM 1712 OH TYR E 231 77.754 37.895 4.968 1.00 15.40 O
+ATOM 1713 N LEU E 232 78.810 35.028 11.085 1.00 11.16 N
+ATOM 1714 CA LEU E 232 77.440 35.066 11.550 1.00 6.97 C
+ATOM 1715 C LEU E 232 77.345 35.991 12.746 1.00 10.85 C
+ATOM 1716 O LEU E 232 76.348 36.682 12.910 1.00 9.38 O
+ATOM 1717 CB LEU E 232 76.974 33.654 11.900 1.00 7.47 C
+ATOM 1718 CG LEU E 232 76.853 32.762 10.655 1.00 3.99 C
+ATOM 1719 CD1 LEU E 232 76.463 31.362 11.021 1.00 2.00 C
+ATOM 1720 CD2 LEU E 232 75.847 33.360 9.720 1.00 2.48 C
+ATOM 1721 N GLU E 233 78.395 36.019 13.561 1.00 13.37 N
+ATOM 1722 CA GLU E 233 78.491 36.903 14.724 1.00 15.76 C
+ATOM 1723 C GLU E 233 78.413 38.376 14.299 1.00 15.13 C
+ATOM 1724 O GLU E 233 77.819 39.195 14.987 1.00 15.37 O
+ATOM 1725 CB GLU E 233 79.846 36.714 15.410 1.00 24.03 C
+ATOM 1726 CG GLU E 233 79.799 36.151 16.813 1.00 40.53 C
+ATOM 1727 CD GLU E 233 79.479 34.670 16.846 1.00 49.92 C
+ATOM 1728 OE1 GLU E 233 78.378 34.287 16.378 1.00 56.96 O
+ATOM 1729 OE2 GLU E 233 80.335 33.890 17.337 1.00 54.89 O
+ATOM 1730 N THR E 234 79.034 38.722 13.177 1.00 13.50 N
+ATOM 1731 CA THR E 234 79.033 40.102 12.737 1.00 14.48 C
+ATOM 1732 C THR E 234 77.718 40.547 12.128 1.00 18.84 C
+ATOM 1733 O THR E 234 77.421 41.749 12.081 1.00 25.45 O
+ATOM 1734 CB THR E 234 80.186 40.388 11.779 1.00 14.77 C
+ATOM 1735 OG1 THR E 234 79.968 39.724 10.531 1.00 19.33 O
+ATOM 1736 CG2 THR E 234 81.480 39.918 12.383 1.00 10.82 C
+ATOM 1737 N ARG E 235 76.946 39.600 11.606 1.00 18.30 N
+ATOM 1738 CA ARG E 235 75.653 39.950 11.051 1.00 13.90 C
+ATOM 1739 C ARG E 235 74.519 39.801 12.099 1.00 14.68 C
+ATOM 1740 O ARG E 235 73.351 40.041 11.797 1.00 21.28 O
+ATOM 1741 CB ARG E 235 75.376 39.163 9.769 1.00 15.61 C
+ATOM 1742 CG ARG E 235 76.282 39.550 8.609 1.00 26.43 C
+ATOM 1743 CD ARG E 235 75.683 39.155 7.235 1.00 36.78 C
+ATOM 1744 NE ARG E 235 74.622 40.052 6.752 1.00 41.24 N
+ATOM 1745 CZ ARG E 235 74.574 40.617 5.538 1.00 43.18 C
+ATOM 1746 NH1 ARG E 235 75.522 40.393 4.634 1.00 43.26 N
+ATOM 1747 NH2 ARG E 235 73.585 41.454 5.231 1.00 47.75 N
+ATOM 1748 N SER E 236 74.894 39.473 13.340 1.00 15.93 N
+ATOM 1749 CA SER E 236 73.981 39.280 14.496 1.00 14.29 C
+ATOM 1750 C SER E 236 73.148 37.981 14.473 1.00 11.70 C
+ATOM 1751 O SER E 236 72.136 37.853 15.145 1.00 16.83 O
+ATOM 1752 CB SER E 236 73.083 40.513 14.705 1.00 20.11 C
+ATOM 1753 OG SER E 236 73.812 41.652 15.170 1.00 17.83 O
+ATOM 1754 N ILE E 237 73.617 37.007 13.718 1.00 9.00 N
+ATOM 1755 CA ILE E 237 72.950 35.742 13.597 1.00 6.32 C
+ATOM 1756 C ILE E 237 73.712 34.846 14.536 1.00 8.26 C
+ATOM 1757 O ILE E 237 74.914 35.014 14.697 1.00 10.80 O
+ATOM 1758 CB ILE E 237 73.077 35.261 12.177 1.00 5.66 C
+ATOM 1759 CG1 ILE E 237 72.278 36.190 11.259 1.00 2.00 C
+ATOM 1760 CG2 ILE E 237 72.660 33.826 12.095 1.00 11.10 C
+ATOM 1761 CD1 ILE E 237 72.658 36.169 9.801 1.00 2.00 C
+ATOM 1762 N SER E 238 73.033 33.941 15.218 1.00 10.55 N
+ATOM 1763 CA SER E 238 73.759 33.092 16.154 1.00 13.12 C
+ATOM 1764 C SER E 238 74.550 32.009 15.456 1.00 16.72 C
+ATOM 1765 O SER E 238 74.207 31.594 14.343 1.00 16.97 O
+ATOM 1766 CB SER E 238 72.875 32.539 17.277 1.00 12.16 C
+ATOM 1767 OG SER E 238 71.642 32.060 16.803 1.00 26.05 O
+ATOM 1768 N PRO E 239 75.662 31.580 16.082 1.00 16.70 N
+ATOM 1769 CA PRO E 239 76.526 30.558 15.519 1.00 16.97 C
+ATOM 1770 C PRO E 239 75.890 29.173 15.535 1.00 16.41 C
+ATOM 1771 O PRO E 239 75.005 28.869 16.345 1.00 18.68 O
+ATOM 1772 CB PRO E 239 77.765 30.666 16.404 1.00 14.75 C
+ATOM 1773 CG PRO E 239 77.178 30.945 17.734 1.00 10.73 C
+ATOM 1774 CD PRO E 239 76.150 31.983 17.417 1.00 14.58 C
+ATOM 1775 N ILE E 240 76.314 28.361 14.582 1.00 13.13 N
+ATOM 1776 CA ILE E 240 75.817 27.022 14.452 1.00 11.15 C
+ATOM 1777 C ILE E 240 76.623 26.149 15.406 1.00 12.73 C
+ATOM 1778 O ILE E 240 77.788 26.456 15.690 1.00 17.29 O
+ATOM 1779 CB ILE E 240 75.940 26.565 12.986 1.00 8.87 C
+ATOM 1780 CG1 ILE E 240 75.058 27.480 12.136 1.00 6.67 C
+ATOM 1781 CG2 ILE E 240 75.533 25.094 12.832 1.00 9.43 C
+ATOM 1782 CD1 ILE E 240 75.230 27.344 10.678 1.00 7.75 C
+ATOM 1783 N ASP E 241 75.950 25.184 16.034 1.00 13.81 N
+ATOM 1784 CA ASP E 241 76.609 24.241 16.942 1.00 14.74 C
+ATOM 1785 C ASP E 241 77.017 23.107 15.997 1.00 12.41 C
+ATOM 1786 O ASP E 241 76.172 22.354 15.506 1.00 12.81 O
+ATOM 1787 CB ASP E 241 75.613 23.752 17.998 1.00 21.32 C
+ATOM 1788 CG ASP E 241 76.112 22.549 18.766 1.00 26.84 C
+ATOM 1789 OD1 ASP E 241 77.330 22.473 19.049 1.00 32.99 O
+ATOM 1790 OD2 ASP E 241 75.277 21.670 19.090 1.00 34.65 O
+ATOM 1791 N TRP E 242 78.306 23.022 15.712 1.00 10.36 N
+ATOM 1792 CA TRP E 242 78.806 22.052 14.753 1.00 8.14 C
+ATOM 1793 C TRP E 242 78.908 20.639 15.238 1.00 9.72 C
+ATOM 1794 O TRP E 242 79.070 19.735 14.424 1.00 13.48 O
+ATOM 1795 CB TRP E 242 80.149 22.516 14.171 1.00 4.83 C
+ATOM 1796 CG TRP E 242 80.027 23.724 13.256 1.00 5.53 C
+ATOM 1797 CD1 TRP E 242 80.399 25.021 13.537 1.00 3.40 C
+ATOM 1798 CD2 TRP E 242 79.432 23.751 11.943 1.00 8.30 C
+ATOM 1799 NE1 TRP E 242 80.064 25.845 12.481 1.00 5.02 N
+ATOM 1800 CE2 TRP E 242 79.475 25.091 11.491 1.00 7.39 C
+ATOM 1801 CE3 TRP E 242 78.860 22.775 11.113 1.00 2.00 C
+ATOM 1802 CZ2 TRP E 242 78.970 25.472 10.243 1.00 2.00 C
+ATOM 1803 CZ3 TRP E 242 78.359 23.155 9.883 1.00 2.00 C
+ATOM 1804 CH2 TRP E 242 78.417 24.486 9.457 1.00 4.52 C
+ATOM 1805 N SER E 243 78.783 20.430 16.545 1.00 7.81 N
+ATOM 1806 CA SER E 243 78.880 19.093 17.099 1.00 7.18 C
+ATOM 1807 C SER E 243 77.756 18.209 16.536 1.00 7.03 C
+ATOM 1808 O SER E 243 76.636 18.649 16.345 1.00 8.39 O
+ATOM 1809 CB SER E 243 78.812 19.163 18.608 1.00 4.45 C
+ATOM 1810 OG SER E 243 77.550 19.670 18.967 1.00 12.83 O
+ATOM 1811 N VAL E 244 78.085 16.969 16.234 1.00 9.26 N
+ATOM 1812 CA VAL E 244 77.137 16.046 15.671 1.00 8.27 C
+ATOM 1813 C VAL E 244 77.617 14.640 16.006 1.00 14.46 C
+ATOM 1814 O VAL E 244 78.842 14.443 16.241 1.00 13.72 O
+ATOM 1815 CB VAL E 244 77.034 16.219 14.146 1.00 4.75 C
+ATOM 1816 CG1 VAL E 244 77.993 15.342 13.433 1.00 2.00 C
+ATOM 1817 CG2 VAL E 244 75.658 15.941 13.684 1.00 8.59 C
+ATOM 1818 OXT VAL E 244 76.737 13.750 16.071 1.00 20.50 O
--- /dev/null
+ATOM 1820 N THR I 2 81.813 -5.843 -8.578 1.00 72.74 N
+ATOM 1821 CA THR I 2 82.419 -6.220 -9.891 1.00 72.71 C
+ATOM 1822 C THR I 2 83.540 -5.243 -10.263 1.00 67.44 C
+ATOM 1823 O THR I 2 83.909 -4.383 -9.460 1.00 68.64 O
+ATOM 1824 CB THR I 2 81.330 -6.260 -11.028 1.00 76.67 C
+ATOM 1825 OG1 THR I 2 80.266 -5.345 -10.713 1.00 78.29 O
+ATOM 1826 CG2 THR I 2 80.759 -7.688 -11.207 1.00 75.51 C
+ATOM 1827 N ASN I 3 84.092 -5.419 -11.459 1.00 62.98 N
+ATOM 1828 CA ASN I 3 85.161 -4.592 -11.999 1.00 59.24 C
+ATOM 1829 C ASN I 3 86.015 -3.883 -10.961 1.00 56.41 C
+ATOM 1830 O ASN I 3 86.901 -4.490 -10.359 1.00 59.23 O
+ATOM 1831 CB ASN I 3 84.603 -3.551 -12.973 1.00 64.98 C
+ATOM 1832 CG ASN I 3 83.667 -4.147 -14.005 1.00 71.20 C
+ATOM 1833 OD1 ASN I 3 83.141 -5.251 -13.822 1.00 73.60 O
+ATOM 1834 ND2 ASN I 3 83.425 -3.402 -15.089 1.00 70.40 N
+ATOM 1835 N LEU I 4 85.661 -2.632 -10.675 1.00 49.68 N
+ATOM 1836 CA LEU I 4 86.411 -1.788 -9.754 1.00 43.24 C
+ATOM 1837 C LEU I 4 86.853 -2.428 -8.450 1.00 39.84 C
+ATOM 1838 O LEU I 4 88.048 -2.437 -8.150 1.00 38.56 O
+ATOM 1839 CB LEU I 4 85.687 -0.456 -9.539 1.00 38.54 C
+ATOM 1840 CG LEU I 4 85.457 0.222 -10.896 1.00 36.13 C
+ATOM 1841 CD1 LEU I 4 84.673 1.470 -10.742 1.00 35.29 C
+ATOM 1842 CD2 LEU I 4 86.761 0.516 -11.585 1.00 35.52 C
+ATOM 1843 N SER I 5 85.925 -2.999 -7.693 1.00 37.26 N
+ATOM 1844 CA SER I 5 86.309 -3.645 -6.446 1.00 41.88 C
+ATOM 1845 C SER I 5 87.245 -4.834 -6.695 1.00 43.09 C
+ATOM 1846 O SER I 5 88.182 -5.079 -5.919 1.00 42.69 O
+ATOM 1847 CB SER I 5 85.080 -4.084 -5.656 1.00 42.79 C
+ATOM 1848 OG SER I 5 84.847 -3.195 -4.575 1.00 49.24 O
+ATOM 1849 N ASP I 6 87.013 -5.558 -7.789 1.00 42.36 N
+ATOM 1850 CA ASP I 6 87.862 -6.693 -8.110 1.00 41.84 C
+ATOM 1851 C ASP I 6 89.272 -6.206 -8.317 1.00 41.32 C
+ATOM 1852 O ASP I 6 90.231 -6.856 -7.902 1.00 47.11 O
+ATOM 1853 CB ASP I 6 87.381 -7.409 -9.359 1.00 46.17 C
+ATOM 1854 CG ASP I 6 86.194 -8.297 -9.092 1.00 52.40 C
+ATOM 1855 OD1 ASP I 6 85.880 -8.543 -7.899 1.00 51.56 O
+ATOM 1856 OD2 ASP I 6 85.581 -8.759 -10.083 1.00 59.10 O
+ATOM 1857 N ILE I 7 89.405 -5.048 -8.946 1.00 38.07 N
+ATOM 1858 CA ILE I 7 90.718 -4.494 -9.180 1.00 34.09 C
+ATOM 1859 C ILE I 7 91.435 -4.266 -7.861 1.00 34.15 C
+ATOM 1860 O ILE I 7 92.599 -4.652 -7.699 1.00 33.42 O
+ATOM 1861 CB ILE I 7 90.632 -3.187 -9.930 1.00 30.62 C
+ATOM 1862 CG1 ILE I 7 89.824 -3.400 -11.210 1.00 27.21 C
+ATOM 1863 CG2 ILE I 7 92.037 -2.661 -10.211 1.00 23.18 C
+ATOM 1864 CD1 ILE I 7 89.815 -2.205 -12.127 1.00 31.32 C
+ATOM 1865 N ILE I 8 90.731 -3.679 -6.901 1.00 36.51 N
+ATOM 1866 CA ILE I 8 91.342 -3.417 -5.602 1.00 38.03 C
+ATOM 1867 C ILE I 8 91.847 -4.724 -5.000 1.00 38.90 C
+ATOM 1868 O ILE I 8 92.969 -4.788 -4.496 1.00 37.04 O
+ATOM 1869 CB ILE I 8 90.393 -2.606 -4.642 1.00 37.52 C
+ATOM 1870 CG1 ILE I 8 90.232 -1.173 -5.182 1.00 33.90 C
+ATOM 1871 CG2 ILE I 8 90.950 -2.572 -3.211 1.00 32.49 C
+ATOM 1872 CD1 ILE I 8 89.392 -0.274 -4.339 1.00 35.27 C
+ATOM 1873 N GLU I 9 91.069 -5.786 -5.146 1.00 39.65 N
+ATOM 1874 CA GLU I 9 91.490 -7.079 -4.630 1.00 43.81 C
+ATOM 1875 C GLU I 9 92.694 -7.625 -5.400 1.00 45.38 C
+ATOM 1876 O GLU I 9 93.657 -8.080 -4.802 1.00 43.56 O
+ATOM 1877 CB GLU I 9 90.348 -8.071 -4.682 1.00 45.27 C
+ATOM 1878 CG GLU I 9 90.696 -9.399 -4.074 1.00 53.11 C
+ATOM 1879 CD GLU I 9 89.477 -10.252 -3.847 1.00 57.92 C
+ATOM 1880 OE1 GLU I 9 88.471 -10.049 -4.569 1.00 61.88 O
+ATOM 1881 OE2 GLU I 9 89.523 -11.120 -2.942 1.00 62.27 O
+ATOM 1882 N LYS I 10 92.649 -7.587 -6.724 1.00 45.45 N
+ATOM 1883 CA LYS I 10 93.774 -8.068 -7.513 1.00 46.57 C
+ATOM 1884 C LYS I 10 95.041 -7.292 -7.140 1.00 49.72 C
+ATOM 1885 O LYS I 10 96.133 -7.846 -7.101 1.00 52.94 O
+ATOM 1886 CB LYS I 10 93.476 -7.923 -9.016 1.00 51.42 C
+ATOM 1887 CG LYS I 10 94.692 -7.644 -9.911 1.00 55.02 C
+ATOM 1888 CD LYS I 10 95.677 -8.815 -9.945 1.00 62.80 C
+ATOM 1889 CE LYS I 10 97.032 -8.416 -10.553 1.00 66.27 C
+ATOM 1890 NZ LYS I 10 98.028 -9.544 -10.570 1.00 65.87 N
+ATOM 1891 N GLU I 11 94.888 -6.016 -6.822 1.00 51.74 N
+ATOM 1892 CA GLU I 11 96.039 -5.196 -6.490 1.00 48.65 C
+ATOM 1893 C GLU I 11 96.476 -5.235 -5.033 1.00 48.55 C
+ATOM 1894 O GLU I 11 97.662 -5.090 -4.746 1.00 52.48 O
+ATOM 1895 CB GLU I 11 95.777 -3.751 -6.895 1.00 47.07 C
+ATOM 1896 CG GLU I 11 95.439 -3.574 -8.358 1.00 45.93 C
+ATOM 1897 CD GLU I 11 96.598 -3.892 -9.272 1.00 48.00 C
+ATOM 1898 OE1 GLU I 11 97.766 -3.743 -8.845 1.00 46.14 O
+ATOM 1899 OE2 GLU I 11 96.333 -4.285 -10.429 1.00 51.03 O
+ATOM 1900 N THR I 12 95.535 -5.420 -4.116 1.00 47.36 N
+ATOM 1901 CA THR I 12 95.867 -5.423 -2.696 1.00 45.62 C
+ATOM 1902 C THR I 12 95.644 -6.772 -2.027 1.00 42.53 C
+ATOM 1903 O THR I 12 96.177 -7.044 -0.950 1.00 44.76 O
+ATOM 1904 CB THR I 12 95.019 -4.370 -1.913 1.00 46.76 C
+ATOM 1905 OG1 THR I 12 93.647 -4.796 -1.855 1.00 45.35 O
+ATOM 1906 CG2 THR I 12 95.100 -2.995 -2.584 1.00 42.51 C
+ATOM 1907 N GLY I 13 94.768 -7.568 -2.621 1.00 44.66 N
+ATOM 1908 CA GLY I 13 94.435 -8.867 -2.071 1.00 43.85 C
+ATOM 1909 C GLY I 13 93.191 -8.768 -1.207 1.00 43.94 C
+ATOM 1910 O GLY I 13 92.412 -9.726 -1.098 1.00 45.94 O
+ATOM 1911 N LYS I 14 92.986 -7.592 -0.623 1.00 39.97 N
+ATOM 1912 CA LYS I 14 91.854 -7.340 0.245 1.00 37.39 C
+ATOM 1913 C LYS I 14 90.519 -7.187 -0.474 1.00 31.88 C
+ATOM 1914 O LYS I 14 90.458 -6.661 -1.582 1.00 30.73 O
+ATOM 1915 CB LYS I 14 92.138 -6.088 1.049 1.00 40.41 C
+ATOM 1916 CG LYS I 14 93.155 -6.290 2.135 1.00 49.16 C
+ATOM 1917 CD LYS I 14 92.651 -7.285 3.180 1.00 58.87 C
+ATOM 1918 CE LYS I 14 91.331 -6.853 3.855 1.00 65.47 C
+ATOM 1919 NZ LYS I 14 90.104 -6.959 2.983 1.00 69.92 N
+ATOM 1920 N GLN I 15 89.446 -7.648 0.157 1.00 29.97 N
+ATOM 1921 CA GLN I 15 88.127 -7.495 -0.438 1.00 29.65 C
+ATOM 1922 C GLN I 15 87.530 -6.231 0.168 1.00 26.39 C
+ATOM 1923 O GLN I 15 86.785 -6.285 1.157 1.00 23.49 O
+ATOM 1924 CB GLN I 15 87.195 -8.657 -0.112 1.00 34.81 C
+ATOM 1925 CG GLN I 15 87.846 -10.024 0.021 1.00 44.84 C
+ATOM 1926 CD GLN I 15 88.623 -10.169 1.336 1.00 49.21 C
+ATOM 1927 OE1 GLN I 15 88.314 -9.479 2.350 1.00 52.04 O
+ATOM 1928 NE2 GLN I 15 89.675 -11.027 1.322 1.00 52.01 N
+ATOM 1929 N LEU I 16 87.874 -5.088 -0.415 1.00 22.15 N
+ATOM 1930 CA LEU I 16 87.375 -3.822 0.095 1.00 17.29 C
+ATOM 1931 C LEU I 16 86.181 -3.254 -0.662 1.00 14.24 C
+ATOM 1932 O LEU I 16 86.057 -3.385 -1.879 1.00 20.41 O
+ATOM 1933 CB LEU I 16 88.510 -2.813 0.164 1.00 15.57 C
+ATOM 1934 CG LEU I 16 89.651 -3.302 1.051 1.00 18.30 C
+ATOM 1935 CD1 LEU I 16 90.791 -2.293 1.076 1.00 18.41 C
+ATOM 1936 CD2 LEU I 16 89.116 -3.571 2.450 1.00 23.01 C
+ATOM 1937 N VAL I 17 85.308 -2.604 0.076 1.00 11.42 N
+ATOM 1938 CA VAL I 17 84.116 -2.022 -0.483 1.00 10.13 C
+ATOM 1939 C VAL I 17 84.312 -0.550 -0.684 1.00 12.63 C
+ATOM 1940 O VAL I 17 84.636 0.154 0.263 1.00 14.89 O
+ATOM 1941 CB VAL I 17 83.002 -2.206 0.484 1.00 8.18 C
+ATOM 1942 CG1 VAL I 17 81.871 -1.303 0.154 1.00 7.99 C
+ATOM 1943 CG2 VAL I 17 82.591 -3.636 0.460 1.00 11.77 C
+ATOM 1944 N ILE I 18 84.131 -0.082 -1.911 1.00 13.49 N
+ATOM 1945 CA ILE I 18 84.273 1.351 -2.209 1.00 12.04 C
+ATOM 1946 C ILE I 18 83.166 2.108 -1.474 1.00 14.26 C
+ATOM 1947 O ILE I 18 81.988 1.753 -1.583 1.00 13.99 O
+ATOM 1948 CB ILE I 18 84.175 1.623 -3.723 1.00 7.96 C
+ATOM 1949 CG1 ILE I 18 85.427 1.049 -4.394 1.00 5.02 C
+ATOM 1950 CG2 ILE I 18 83.951 3.138 -3.994 1.00 2.80 C
+ATOM 1951 CD1 ILE I 18 85.297 0.899 -5.840 1.00 4.95 C
+ATOM 1952 N GLN I 19 83.545 3.140 -0.728 1.00 12.41 N
+ATOM 1953 CA GLN I 19 82.581 3.891 0.048 1.00 9.13 C
+ATOM 1954 C GLN I 19 82.053 5.209 -0.486 1.00 9.59 C
+ATOM 1955 O GLN I 19 80.953 5.644 -0.093 1.00 6.59 O
+ATOM 1956 CB GLN I 19 83.111 4.036 1.454 1.00 9.38 C
+ATOM 1957 CG GLN I 19 83.020 2.731 2.144 1.00 14.86 C
+ATOM 1958 CD GLN I 19 83.393 2.823 3.558 1.00 21.32 C
+ATOM 1959 OE1 GLN I 19 84.548 2.640 3.904 1.00 30.56 O
+ATOM 1960 NE2 GLN I 19 82.427 3.121 4.407 1.00 28.70 N
+ATOM 1961 N GLU I 20 82.825 5.826 -1.388 1.00 10.97 N
+ATOM 1962 CA GLU I 20 82.486 7.106 -2.012 1.00 4.90 C
+ATOM 1963 C GLU I 20 83.302 7.232 -3.266 1.00 6.71 C
+ATOM 1964 O GLU I 20 84.303 6.539 -3.426 1.00 7.97 O
+ATOM 1965 CB GLU I 20 82.833 8.277 -1.088 1.00 3.48 C
+ATOM 1966 CG GLU I 20 84.291 8.378 -0.734 1.00 3.40 C
+ATOM 1967 CD GLU I 20 84.592 9.507 0.240 1.00 6.91 C
+ATOM 1968 OE1 GLU I 20 83.757 9.825 1.109 1.00 10.69 O
+ATOM 1969 OE2 GLU I 20 85.687 10.087 0.142 1.00 8.52 O
+ATOM 1970 N SER I 21 82.834 8.052 -4.196 1.00 9.09 N
+ATOM 1971 CA SER I 21 83.542 8.294 -5.452 1.00 8.48 C
+ATOM 1972 C SER I 21 83.486 9.792 -5.644 1.00 10.14 C
+ATOM 1973 O SER I 21 82.408 10.360 -5.796 1.00 10.46 O
+ATOM 1974 CB SER I 21 82.856 7.575 -6.603 1.00 9.36 C
+ATOM 1975 OG SER I 21 82.785 6.181 -6.339 1.00 12.13 O
+ATOM 1976 N ILE I 22 84.642 10.433 -5.561 1.00 10.24 N
+ATOM 1977 CA ILE I 22 84.741 11.874 -5.673 1.00 14.21 C
+ATOM 1978 C ILE I 22 85.347 12.296 -6.990 1.00 13.72 C
+ATOM 1979 O ILE I 22 86.368 11.749 -7.396 1.00 15.83 O
+ATOM 1980 CB ILE I 22 85.623 12.446 -4.524 1.00 9.42 C
+ATOM 1981 CG1 ILE I 22 85.031 12.054 -3.169 1.00 11.30 C
+ATOM 1982 CG2 ILE I 22 85.695 13.941 -4.621 1.00 10.29 C
+ATOM 1983 CD1 ILE I 22 83.495 12.250 -3.068 1.00 5.68 C
+ATOM 1984 N LEU I 23 84.746 13.294 -7.632 1.00 10.47 N
+ATOM 1985 CA LEU I 23 85.269 13.797 -8.894 1.00 9.95 C
+ATOM 1986 C LEU I 23 86.275 14.895 -8.684 1.00 9.99 C
+ATOM 1987 O LEU I 23 85.962 15.904 -8.064 1.00 11.92 O
+ATOM 1988 CB LEU I 23 84.172 14.362 -9.765 1.00 10.89 C
+ATOM 1989 CG LEU I 23 84.705 14.768 -11.137 1.00 13.73 C
+ATOM 1990 CD1 LEU I 23 84.827 13.546 -12.012 1.00 7.98 C
+ATOM 1991 CD2 LEU I 23 83.748 15.748 -11.778 1.00 14.50 C
+ATOM 1992 N MET I 24 87.468 14.712 -9.233 1.00 15.54 N
+ATOM 1993 CA MET I 24 88.530 15.706 -9.154 1.00 15.20 C
+ATOM 1994 C MET I 24 89.034 16.046 -10.543 1.00 14.43 C
+ATOM 1995 O MET I 24 89.031 15.202 -11.435 1.00 13.29 O
+ATOM 1996 CB MET I 24 89.705 15.200 -8.340 1.00 14.02 C
+ATOM 1997 CG MET I 24 89.375 14.913 -6.918 1.00 16.93 C
+ATOM 1998 SD MET I 24 90.860 14.830 -5.964 1.00 18.12 S
+ATOM 1999 CE MET I 24 90.167 15.111 -4.429 1.00 16.95 C
+ATOM 2000 N LEU I 25 89.463 17.291 -10.718 1.00 15.48 N
+ATOM 2001 CA LEU I 25 89.998 17.765 -11.995 1.00 19.89 C
+ATOM 2002 C LEU I 25 91.500 17.476 -12.004 1.00 22.27 C
+ATOM 2003 O LEU I 25 92.155 17.547 -10.961 1.00 23.68 O
+ATOM 2004 CB LEU I 25 89.714 19.258 -12.158 1.00 21.34 C
+ATOM 2005 CG LEU I 25 88.233 19.511 -12.449 1.00 25.60 C
+ATOM 2006 CD1 LEU I 25 87.726 20.770 -11.768 1.00 24.32 C
+ATOM 2007 CD2 LEU I 25 88.029 19.591 -13.955 1.00 30.67 C
+ATOM 2008 N PRO I 26 92.074 17.222 -13.188 1.00 22.76 N
+ATOM 2009 CA PRO I 26 93.490 16.915 -13.396 1.00 24.17 C
+ATOM 2010 C PRO I 26 94.465 17.761 -12.576 1.00 23.71 C
+ATOM 2011 O PRO I 26 95.505 17.277 -12.136 1.00 24.42 O
+ATOM 2012 CB PRO I 26 93.667 17.171 -14.884 1.00 23.49 C
+ATOM 2013 CG PRO I 26 92.363 16.802 -15.447 1.00 21.27 C
+ATOM 2014 CD PRO I 26 91.419 17.475 -14.482 1.00 22.78 C
+ATOM 2015 N GLU I 27 94.138 19.023 -12.364 1.00 21.45 N
+ATOM 2016 CA GLU I 27 95.019 19.882 -11.590 1.00 24.35 C
+ATOM 2017 C GLU I 27 95.039 19.521 -10.099 1.00 24.31 C
+ATOM 2018 O GLU I 27 96.086 19.629 -9.447 1.00 24.45 O
+ATOM 2019 CB GLU I 27 94.629 21.347 -11.778 1.00 30.82 C
+ATOM 2020 CG GLU I 27 94.814 21.868 -13.200 1.00 41.80 C
+ATOM 2021 CD GLU I 27 93.859 21.234 -14.208 1.00 47.20 C
+ATOM 2022 OE1 GLU I 27 92.635 21.157 -13.935 1.00 47.05 O
+ATOM 2023 OE2 GLU I 27 94.342 20.828 -15.290 1.00 54.29 O
+ATOM 2024 N GLU I 28 93.888 19.106 -9.562 1.00 21.67 N
+ATOM 2025 CA GLU I 28 93.785 18.727 -8.147 1.00 18.19 C
+ATOM 2026 C GLU I 28 94.532 17.440 -7.874 1.00 18.63 C
+ATOM 2027 O GLU I 28 94.994 17.205 -6.754 1.00 15.91 O
+ATOM 2028 CB GLU I 28 92.343 18.497 -7.751 1.00 18.96 C
+ATOM 2029 CG GLU I 28 91.516 19.711 -7.603 1.00 19.38 C
+ATOM 2030 CD GLU I 28 90.127 19.356 -7.166 1.00 17.24 C
+ATOM 2031 OE1 GLU I 28 89.419 18.725 -7.962 1.00 14.81 O
+ATOM 2032 OE2 GLU I 28 89.765 19.682 -6.018 1.00 21.08 O
+ATOM 2033 N VAL I 29 94.534 16.577 -8.890 1.00 19.82 N
+ATOM 2034 CA VAL I 29 95.193 15.278 -8.875 1.00 19.87 C
+ATOM 2035 C VAL I 29 96.693 15.442 -9.174 1.00 23.11 C
+ATOM 2036 O VAL I 29 97.527 14.988 -8.397 1.00 24.93 O
+ATOM 2037 CB VAL I 29 94.570 14.337 -9.945 1.00 18.07 C
+ATOM 2038 CG1 VAL I 29 95.397 13.086 -10.095 1.00 16.45 C
+ATOM 2039 CG2 VAL I 29 93.153 13.972 -9.584 1.00 8.42 C
+ATOM 2040 N GLU I 30 97.021 16.092 -10.294 1.00 24.93 N
+ATOM 2041 CA GLU I 30 98.402 16.321 -10.745 1.00 27.52 C
+ATOM 2042 C GLU I 30 99.293 16.694 -9.586 1.00 29.40 C
+ATOM 2043 O GLU I 30 100.439 16.275 -9.494 1.00 29.02 O
+ATOM 2044 CB GLU I 30 98.402 17.452 -11.763 1.00 30.24 C
+ATOM 2045 CG GLU I 30 99.765 17.866 -12.328 1.00 38.75 C
+ATOM 2046 CD GLU I 30 99.708 19.226 -13.113 1.00 46.88 C
+ATOM 2047 OE1 GLU I 30 98.626 19.921 -13.096 1.00 49.86 O
+ATOM 2048 OE2 GLU I 30 100.760 19.619 -13.726 1.00 50.10 O
+ATOM 2049 N GLU I 31 98.692 17.444 -8.675 1.00 35.54 N
+ATOM 2050 CA GLU I 31 99.285 17.963 -7.448 1.00 41.95 C
+ATOM 2051 C GLU I 31 99.809 16.905 -6.454 1.00 41.80 C
+ATOM 2052 O GLU I 31 100.733 17.177 -5.668 1.00 43.99 O
+ATOM 2053 CB GLU I 31 98.183 18.780 -6.771 1.00 46.96 C
+ATOM 2054 CG GLU I 31 98.613 19.890 -5.852 1.00 58.04 C
+ATOM 2055 CD GLU I 31 97.500 20.908 -5.682 1.00 63.20 C
+ATOM 2056 OE1 GLU I 31 96.560 20.635 -4.898 1.00 67.77 O
+ATOM 2057 OE2 GLU I 31 97.548 21.960 -6.364 1.00 66.56 O
+ATOM 2058 N VAL I 32 99.178 15.729 -6.473 1.00 40.69 N
+ATOM 2059 CA VAL I 32 99.473 14.616 -5.573 1.00 37.98 C
+ATOM 2060 C VAL I 32 100.147 13.401 -6.224 1.00 39.46 C
+ATOM 2061 O VAL I 32 101.135 12.878 -5.720 1.00 39.68 O
+ATOM 2062 CB VAL I 32 98.151 14.126 -4.911 1.00 37.24 C
+ATOM 2063 CG1 VAL I 32 98.433 13.104 -3.831 1.00 36.62 C
+ATOM 2064 CG2 VAL I 32 97.368 15.294 -4.354 1.00 36.23 C
+ATOM 2065 N ILE I 33 99.552 12.906 -7.301 1.00 38.92 N
+ATOM 2066 CA ILE I 33 100.069 11.742 -8.011 1.00 38.22 C
+ATOM 2067 C ILE I 33 101.391 12.038 -8.706 1.00 40.07 C
+ATOM 2068 O ILE I 33 102.217 11.157 -8.895 1.00 41.82 O
+ATOM 2069 CB ILE I 33 99.021 11.237 -9.052 1.00 38.70 C
+ATOM 2070 CG1 ILE I 33 97.772 10.763 -8.318 1.00 39.86 C
+ATOM 2071 CG2 ILE I 33 99.575 10.128 -9.931 1.00 37.34 C
+ATOM 2072 CD1 ILE I 33 98.072 10.087 -6.991 1.00 40.72 C
+ATOM 2073 N GLY I 34 101.595 13.290 -9.077 1.00 39.96 N
+ATOM 2074 CA GLY I 34 102.805 13.648 -9.778 1.00 42.19 C
+ATOM 2075 C GLY I 34 102.520 13.785 -11.264 1.00 44.93 C
+ATOM 2076 O GLY I 34 103.039 14.694 -11.908 1.00 51.19 O
+ATOM 2077 N ASN I 35 101.721 12.880 -11.824 1.00 43.29 N
+ATOM 2078 CA ASN I 35 101.385 12.958 -13.240 1.00 42.47 C
+ATOM 2079 C ASN I 35 100.040 13.624 -13.365 1.00 41.56 C
+ATOM 2080 O ASN I 35 99.247 13.618 -12.423 1.00 38.97 O
+ATOM 2081 CB ASN I 35 101.300 11.575 -13.874 1.00 45.41 C
+ATOM 2082 CG ASN I 35 102.499 10.724 -13.565 1.00 52.41 C
+ATOM 2083 OD1 ASN I 35 103.538 10.846 -14.213 1.00 58.32 O
+ATOM 2084 ND2 ASN I 35 102.371 9.853 -12.564 1.00 53.36 N
+ATOM 2085 N LYS I 36 99.772 14.162 -14.546 1.00 41.95 N
+ATOM 2086 CA LYS I 36 98.509 14.829 -14.812 1.00 45.75 C
+ATOM 2087 C LYS I 36 97.676 13.904 -15.693 1.00 43.23 C
+ATOM 2088 O LYS I 36 98.152 13.433 -16.726 1.00 45.40 O
+ATOM 2089 CB LYS I 36 98.771 16.166 -15.519 1.00 47.72 C
+ATOM 2090 CG LYS I 36 97.563 17.077 -15.677 1.00 44.75 C
+ATOM 2091 CD LYS I 36 98.005 18.402 -16.242 1.00 48.02 C
+ATOM 2092 CE LYS I 36 96.837 19.185 -16.785 1.00 52.46 C
+ATOM 2093 NZ LYS I 36 96.106 18.382 -17.809 1.00 55.51 N
+ATOM 2094 N PRO I 37 96.461 13.550 -15.253 1.00 40.01 N
+ATOM 2095 CA PRO I 37 95.668 12.664 -16.107 1.00 38.51 C
+ATOM 2096 C PRO I 37 95.149 13.453 -17.312 1.00 39.39 C
+ATOM 2097 O PRO I 37 95.259 14.676 -17.351 1.00 41.79 O
+ATOM 2098 CB PRO I 37 94.561 12.197 -15.166 1.00 37.64 C
+ATOM 2099 CG PRO I 37 94.363 13.386 -14.256 1.00 40.69 C
+ATOM 2100 CD PRO I 37 95.780 13.826 -13.974 1.00 40.51 C
+ATOM 2101 N GLU I 38 94.616 12.767 -18.312 1.00 43.91 N
+ATOM 2102 CA GLU I 38 94.117 13.475 -19.487 1.00 47.60 C
+ATOM 2103 C GLU I 38 92.794 14.154 -19.203 1.00 47.89 C
+ATOM 2104 O GLU I 38 92.547 15.252 -19.698 1.00 49.50 O
+ATOM 2105 CB GLU I 38 93.943 12.533 -20.693 1.00 47.93 C
+ATOM 2106 CG GLU I 38 92.630 11.683 -20.685 1.00 52.23 C
+ATOM 2107 CD GLU I 38 92.105 11.339 -22.118 1.00 54.82 C
+ATOM 2108 OE1 GLU I 38 92.660 10.357 -22.736 1.00 53.08 O
+ATOM 2109 OE2 GLU I 38 91.147 12.056 -22.604 1.00 51.07 O
+ATOM 2110 N SER I 39 91.948 13.486 -18.421 1.00 48.32 N
+ATOM 2111 CA SER I 39 90.621 13.998 -18.093 1.00 49.67 C
+ATOM 2112 C SER I 39 90.364 14.070 -16.593 1.00 45.86 C
+ATOM 2113 O SER I 39 91.301 14.062 -15.789 1.00 44.42 O
+ATOM 2114 CB SER I 39 89.530 13.141 -18.766 1.00 56.85 C
+ATOM 2115 OG SER I 39 89.441 11.842 -18.184 1.00 61.49 O
+ATOM 2116 N ASP I 40 89.082 14.169 -16.243 1.00 40.12 N
+ATOM 2117 CA ASP I 40 88.647 14.256 -14.862 1.00 36.80 C
+ATOM 2118 C ASP I 40 88.733 12.893 -14.240 1.00 32.48 C
+ATOM 2119 O ASP I 40 88.372 11.888 -14.865 1.00 32.59 O
+ATOM 2120 CB ASP I 40 87.215 14.745 -14.794 1.00 37.98 C
+ATOM 2121 CG ASP I 40 86.974 15.910 -15.699 1.00 39.80 C
+ATOM 2122 OD1 ASP I 40 87.590 16.966 -15.448 1.00 40.40 O
+ATOM 2123 OD2 ASP I 40 86.201 15.751 -16.675 1.00 40.07 O
+ATOM 2124 N ILE I 41 89.146 12.883 -12.982 1.00 26.64 N
+ATOM 2125 CA ILE I 41 89.323 11.666 -12.230 1.00 21.98 C
+ATOM 2126 C ILE I 41 88.246 11.404 -11.183 1.00 21.01 C
+ATOM 2127 O ILE I 41 87.863 12.305 -10.440 1.00 20.42 O
+ATOM 2128 CB ILE I 41 90.708 11.710 -11.516 1.00 19.74 C
+ATOM 2129 CG1 ILE I 41 91.828 11.560 -12.544 1.00 21.92 C
+ATOM 2130 CG2 ILE I 41 90.833 10.627 -10.444 1.00 21.21 C
+ATOM 2131 CD1 ILE I 41 91.870 10.190 -13.232 1.00 13.74 C
+ATOM 2132 N LEU I 42 87.764 10.163 -11.142 1.00 17.21 N
+ATOM 2133 CA LEU I 42 86.813 9.715 -10.122 1.00 11.53 C
+ATOM 2134 C LEU I 42 87.717 8.954 -9.125 1.00 10.41 C
+ATOM 2135 O LEU I 42 88.374 7.982 -9.494 1.00 12.88 O
+ATOM 2136 CB LEU I 42 85.767 8.753 -10.708 1.00 7.99 C
+ATOM 2137 CG LEU I 42 84.504 9.324 -11.359 1.00 6.86 C
+ATOM 2138 CD1 LEU I 42 83.617 8.210 -11.903 1.00 2.00 C
+ATOM 2139 CD2 LEU I 42 83.749 10.127 -10.317 1.00 4.94 C
+ATOM 2140 N VAL I 43 87.845 9.469 -7.910 1.00 10.52 N
+ATOM 2141 CA VAL I 43 88.653 8.825 -6.884 1.00 10.09 C
+ATOM 2142 C VAL I 43 87.719 7.921 -6.077 1.00 13.53 C
+ATOM 2143 O VAL I 43 86.872 8.422 -5.332 1.00 15.40 O
+ATOM 2144 CB VAL I 43 89.263 9.862 -5.882 1.00 6.68 C
+ATOM 2145 CG1 VAL I 43 90.123 9.140 -4.848 1.00 4.53 C
+ATOM 2146 CG2 VAL I 43 90.057 10.960 -6.610 1.00 2.86 C
+ATOM 2147 N HIS I 44 87.840 6.601 -6.222 1.00 15.33 N
+ATOM 2148 CA HIS I 44 86.985 5.679 -5.461 1.00 14.02 C
+ATOM 2149 C HIS I 44 87.732 5.284 -4.214 1.00 13.25 C
+ATOM 2150 O HIS I 44 88.789 4.650 -4.291 1.00 16.43 O
+ATOM 2151 CB HIS I 44 86.684 4.449 -6.284 1.00 15.11 C
+ATOM 2152 CG HIS I 44 85.999 4.756 -7.571 1.00 10.22 C
+ATOM 2153 ND1 HIS I 44 86.691 5.076 -8.719 1.00 7.67 N
+ATOM 2154 CD2 HIS I 44 84.687 4.781 -7.895 1.00 2.00 C
+ATOM 2155 CE1 HIS I 44 85.833 5.282 -9.700 1.00 4.97 C
+ATOM 2156 NE2 HIS I 44 84.611 5.109 -9.226 1.00 4.77 N
+ATOM 2157 N THR I 45 87.162 5.592 -3.062 1.00 12.15 N
+ATOM 2158 CA THR I 45 87.855 5.321 -1.816 1.00 12.58 C
+ATOM 2159 C THR I 45 87.209 4.310 -0.898 1.00 15.96 C
+ATOM 2160 O THR I 45 86.001 4.350 -0.614 1.00 17.60 O
+ATOM 2161 CB THR I 45 88.093 6.638 -1.042 1.00 9.08 C
+ATOM 2162 OG1 THR I 45 88.548 7.627 -1.966 1.00 16.25 O
+ATOM 2163 CG2 THR I 45 89.139 6.477 0.066 1.00 8.51 C
+ATOM 2164 N ALA I 46 88.052 3.409 -0.421 1.00 18.26 N
+ATOM 2165 CA ALA I 46 87.639 2.380 0.495 1.00 18.88 C
+ATOM 2166 C ALA I 46 88.580 2.515 1.661 1.00 17.62 C
+ATOM 2167 O ALA I 46 89.622 3.131 1.568 1.00 14.75 O
+ATOM 2168 CB ALA I 46 87.777 1.022 -0.153 1.00 20.74 C
+ATOM 2169 N TYR I 47 88.228 1.906 2.763 1.00 23.29 N
+ATOM 2170 CA TYR I 47 89.060 2.004 3.926 1.00 26.90 C
+ATOM 2171 C TYR I 47 89.309 0.624 4.523 1.00 28.64 C
+ATOM 2172 O TYR I 47 88.357 -0.106 4.831 1.00 34.13 O
+ATOM 2173 CB TYR I 47 88.363 2.911 4.920 1.00 25.24 C
+ATOM 2174 CG TYR I 47 88.948 2.876 6.287 1.00 26.19 C
+ATOM 2175 CD1 TYR I 47 90.187 3.445 6.544 1.00 26.84 C
+ATOM 2176 CD2 TYR I 47 88.255 2.286 7.334 1.00 26.46 C
+ATOM 2177 CE1 TYR I 47 90.725 3.429 7.819 1.00 32.44 C
+ATOM 2178 CE2 TYR I 47 88.777 2.264 8.609 1.00 34.50 C
+ATOM 2179 CZ TYR I 47 90.014 2.835 8.849 1.00 35.41 C
+ATOM 2180 OH TYR I 47 90.536 2.805 10.120 1.00 42.19 O
+ATOM 2181 N ASP I 48 90.581 0.243 4.620 1.00 29.21 N
+ATOM 2182 CA ASP I 48 90.954 -1.029 5.206 1.00 30.89 C
+ATOM 2183 C ASP I 48 91.204 -0.787 6.690 1.00 31.78 C
+ATOM 2184 O ASP I 48 92.316 -0.509 7.083 1.00 31.42 O
+ATOM 2185 CB ASP I 48 92.222 -1.540 4.545 1.00 32.96 C
+ATOM 2186 CG ASP I 48 92.658 -2.895 5.085 1.00 37.77 C
+ATOM 2187 OD1 ASP I 48 92.024 -3.379 6.048 1.00 38.54 O
+ATOM 2188 OD2 ASP I 48 93.636 -3.479 4.551 1.00 39.98 O
+ATOM 2189 N GLU I 49 90.175 -0.945 7.511 1.00 36.01 N
+ATOM 2190 CA GLU I 49 90.275 -0.704 8.952 1.00 42.99 C
+ATOM 2191 C GLU I 49 91.359 -1.468 9.681 1.00 46.52 C
+ATOM 2192 O GLU I 49 91.916 -0.973 10.658 1.00 44.98 O
+ATOM 2193 CB GLU I 49 88.923 -0.950 9.641 1.00 49.52 C
+ATOM 2194 CG GLU I 49 88.933 -0.852 11.194 1.00 64.18 C
+ATOM 2195 CD GLU I 49 89.171 0.571 11.767 1.00 70.41 C
+ATOM 2196 OE1 GLU I 49 88.197 1.368 11.814 1.00 69.98 O
+ATOM 2197 OE2 GLU I 49 90.316 0.872 12.217 1.00 68.98 O
+ATOM 2198 N SER I 50 91.656 -2.673 9.220 1.00 42.85 N
+ATOM 2199 CA SER I 50 92.678 -3.471 9.882 1.00 48.50 C
+ATOM 2200 C SER I 50 93.992 -2.698 9.891 1.00 47.68 C
+ATOM 2201 O SER I 50 94.487 -2.296 10.946 1.00 49.91 O
+ATOM 2202 CB SER I 50 92.836 -4.847 9.207 1.00 49.20 C
+ATOM 2203 OG SER I 50 93.317 -4.762 7.872 1.00 51.38 O
+ATOM 2204 N THR I 51 94.508 -2.439 8.697 1.00 45.17 N
+ATOM 2205 CA THR I 51 95.742 -1.708 8.527 1.00 42.26 C
+ATOM 2206 C THR I 51 95.513 -0.207 8.704 1.00 41.54 C
+ATOM 2207 O THR I 51 96.469 0.566 8.782 1.00 44.10 O
+ATOM 2208 CB THR I 51 96.311 -1.972 7.136 1.00 41.26 C
+ATOM 2209 OG1 THR I 51 95.280 -1.794 6.161 1.00 41.68 O
+ATOM 2210 CG2 THR I 51 96.841 -3.392 7.034 1.00 45.44 C
+ATOM 2211 N ASP I 52 94.246 0.198 8.757 1.00 37.77 N
+ATOM 2212 CA ASP I 52 93.873 1.599 8.908 1.00 36.54 C
+ATOM 2213 C ASP I 52 94.404 2.446 7.733 1.00 34.27 C
+ATOM 2214 O ASP I 52 94.939 3.543 7.914 1.00 30.96 O
+ATOM 2215 CB ASP I 52 94.382 2.108 10.252 1.00 43.87 C
+ATOM 2216 CG ASP I 52 93.878 3.490 10.592 1.00 51.88 C
+ATOM 2217 OD1 ASP I 52 93.108 4.077 9.802 1.00 56.22 O
+ATOM 2218 OD2 ASP I 52 94.268 4.001 11.663 1.00 57.80 O
+ATOM 2219 N GLU I 53 94.233 1.927 6.524 1.00 30.47 N
+ATOM 2220 CA GLU I 53 94.676 2.612 5.316 1.00 31.76 C
+ATOM 2221 C GLU I 53 93.476 2.955 4.433 1.00 28.88 C
+ATOM 2222 O GLU I 53 92.453 2.253 4.437 1.00 27.90 O
+ATOM 2223 CB GLU I 53 95.588 1.713 4.476 1.00 31.08 C
+ATOM 2224 CG GLU I 53 96.792 1.103 5.160 1.00 34.34 C
+ATOM 2225 CD GLU I 53 97.415 0.001 4.306 1.00 39.94 C
+ATOM 2226 OE1 GLU I 53 96.667 -0.885 3.835 1.00 45.51 O
+ATOM 2227 OE2 GLU I 53 98.643 0.019 4.084 1.00 43.73 O
+ATOM 2228 N ASN I 54 93.618 4.019 3.650 1.00 26.63 N
+ATOM 2229 CA ASN I 54 92.568 4.427 2.714 1.00 23.32 C
+ATOM 2230 C ASN I 54 93.032 3.925 1.352 1.00 23.69 C
+ATOM 2231 O ASN I 54 94.119 4.293 0.899 1.00 29.41 O
+ATOM 2232 CB ASN I 54 92.410 5.957 2.687 1.00 22.65 C
+ATOM 2233 CG ASN I 54 91.632 6.490 3.881 1.00 22.42 C
+ATOM 2234 OD1 ASN I 54 90.466 6.134 4.100 1.00 29.03 O
+ATOM 2235 ND2 ASN I 54 92.264 7.353 4.647 1.00 14.40 N
+ATOM 2236 N VAL I 55 92.281 3.020 0.737 1.00 19.44 N
+ATOM 2237 CA VAL I 55 92.683 2.515 -0.566 1.00 15.58 C
+ATOM 2238 C VAL I 55 91.877 3.278 -1.598 1.00 17.26 C
+ATOM 2239 O VAL I 55 90.643 3.179 -1.621 1.00 21.06 O
+ATOM 2240 CB VAL I 55 92.444 0.993 -0.704 1.00 13.18 C
+ATOM 2241 CG1 VAL I 55 93.057 0.492 -1.998 1.00 12.13 C
+ATOM 2242 CG2 VAL I 55 93.045 0.255 0.487 1.00 7.18 C
+ATOM 2243 N MET I 56 92.556 4.088 -2.407 1.00 13.38 N
+ATOM 2244 CA MET I 56 91.884 4.871 -3.428 1.00 9.30 C
+ATOM 2245 C MET I 56 92.205 4.403 -4.828 1.00 10.70 C
+ATOM 2246 O MET I 56 93.360 4.377 -5.228 1.00 12.57 O
+ATOM 2247 CB MET I 56 92.259 6.336 -3.291 1.00 10.40 C
+ATOM 2248 CG MET I 56 91.853 6.952 -1.953 1.00 11.84 C
+ATOM 2249 SD MET I 56 93.059 8.155 -1.453 1.00 17.60 S
+ATOM 2250 CE MET I 56 94.417 7.141 -0.865 1.00 10.50 C
+ATOM 2251 N LEU I 57 91.168 4.013 -5.567 1.00 13.01 N
+ATOM 2252 CA LEU I 57 91.300 3.558 -6.952 1.00 13.52 C
+ATOM 2253 C LEU I 57 90.829 4.712 -7.858 1.00 18.18 C
+ATOM 2254 O LEU I 57 89.611 4.966 -7.950 1.00 23.49 O
+ATOM 2255 CB LEU I 57 90.428 2.297 -7.151 1.00 12.29 C
+ATOM 2256 CG LEU I 57 90.426 1.408 -8.407 1.00 10.45 C
+ATOM 2257 CD1 LEU I 57 89.184 1.656 -9.204 1.00 10.96 C
+ATOM 2258 CD2 LEU I 57 91.673 1.565 -9.250 1.00 6.44 C
+ATOM 2259 N LEU I 58 91.777 5.437 -8.473 1.00 16.50 N
+ATOM 2260 CA LEU I 58 91.445 6.571 -9.360 1.00 16.44 C
+ATOM 2261 C LEU I 58 91.163 6.122 -10.791 1.00 18.30 C
+ATOM 2262 O LEU I 58 92.069 5.656 -11.472 1.00 23.77 O
+ATOM 2263 CB LEU I 58 92.578 7.599 -9.427 1.00 8.68 C
+ATOM 2264 CG LEU I 58 93.506 7.930 -8.257 1.00 7.07 C
+ATOM 2265 CD1 LEU I 58 94.280 9.163 -8.606 1.00 2.00 C
+ATOM 2266 CD2 LEU I 58 92.746 8.135 -6.998 1.00 6.85 C
+ATOM 2267 N THR I 59 89.920 6.234 -11.248 1.00 18.46 N
+ATOM 2268 CA THR I 59 89.593 5.850 -12.616 1.00 15.62 C
+ATOM 2269 C THR I 59 89.212 7.120 -13.379 1.00 21.62 C
+ATOM 2270 O THR I 59 89.280 8.232 -12.839 1.00 25.35 O
+ATOM 2271 CB THR I 59 88.390 4.885 -12.694 1.00 12.11 C
+ATOM 2272 OG1 THR I 59 87.204 5.556 -12.285 1.00 13.92 O
+ATOM 2273 CG2 THR I 59 88.597 3.675 -11.823 1.00 10.91 C
+ATOM 2274 N SER I 60 88.846 6.961 -14.644 1.00 20.42 N
+ATOM 2275 CA SER I 60 88.411 8.085 -15.428 1.00 20.75 C
+ATOM 2276 C SER I 60 86.925 8.215 -15.103 1.00 23.90 C
+ATOM 2277 O SER I 60 86.327 7.332 -14.486 1.00 25.21 O
+ATOM 2278 CB SER I 60 88.602 7.803 -16.911 1.00 20.85 C
+ATOM 2279 OG SER I 60 87.800 6.714 -17.320 1.00 20.15 O
+ATOM 2280 N ASP I 61 86.333 9.305 -15.556 1.00 20.29 N
+ATOM 2281 CA ASP I 61 84.934 9.614 -15.331 1.00 20.70 C
+ATOM 2282 C ASP I 61 83.967 8.581 -15.938 1.00 18.43 C
+ATOM 2283 O ASP I 61 84.345 7.729 -16.743 1.00 16.94 O
+ATOM 2284 CB ASP I 61 84.684 11.019 -15.906 1.00 26.19 C
+ATOM 2285 CG ASP I 61 83.397 11.690 -15.392 1.00 26.29 C
+ATOM 2286 OD1 ASP I 61 82.778 11.263 -14.388 1.00 26.63 O
+ATOM 2287 OD2 ASP I 61 83.016 12.697 -16.020 1.00 29.81 O
+ATOM 2288 N ALA I 62 82.724 8.620 -15.471 1.00 23.62 N
+ATOM 2289 CA ALA I 62 81.678 7.757 -15.980 1.00 27.04 C
+ATOM 2290 C ALA I 62 81.485 8.147 -17.456 1.00 29.64 C
+ATOM 2291 O ALA I 62 81.721 9.297 -17.842 1.00 36.32 O
+ATOM 2292 CB ALA I 62 80.403 8.008 -15.203 1.00 20.32 C
+ATOM 2293 N PRO I 63 81.048 7.207 -18.305 1.00 33.45 N
+ATOM 2294 CA PRO I 63 80.711 5.810 -18.022 1.00 32.65 C
+ATOM 2295 C PRO I 63 81.884 4.895 -18.305 1.00 32.66 C
+ATOM 2296 O PRO I 63 81.751 3.676 -18.241 1.00 33.40 O
+ATOM 2297 CB PRO I 63 79.599 5.543 -19.022 1.00 30.96 C
+ATOM 2298 CG PRO I 63 80.128 6.256 -20.239 1.00 33.73 C
+ATOM 2299 CD PRO I 63 80.664 7.567 -19.688 1.00 33.92 C
+ATOM 2300 N GLU I 64 83.028 5.489 -18.616 1.00 30.97 N
+ATOM 2301 CA GLU I 64 84.189 4.707 -18.960 1.00 32.09 C
+ATOM 2302 C GLU I 64 84.743 4.056 -17.703 1.00 32.63 C
+ATOM 2303 O GLU I 64 84.763 2.849 -17.618 1.00 38.15 O
+ATOM 2304 CB GLU I 64 85.211 5.594 -19.670 1.00 36.29 C
+ATOM 2305 CG GLU I 64 86.317 4.860 -20.397 1.00 42.00 C
+ATOM 2306 CD GLU I 64 87.404 5.801 -20.931 1.00 49.56 C
+ATOM 2307 OE1 GLU I 64 88.232 6.305 -20.133 1.00 50.72 O
+ATOM 2308 OE2 GLU I 64 87.435 6.037 -22.158 1.00 56.17 O
+ATOM 2309 N TYR I 65 85.101 4.845 -16.697 1.00 29.76 N
+ATOM 2310 CA TYR I 65 85.658 4.320 -15.443 1.00 23.31 C
+ATOM 2311 C TYR I 65 86.961 3.524 -15.634 1.00 24.43 C
+ATOM 2312 O TYR I 65 87.240 2.565 -14.904 1.00 25.16 O
+ATOM 2313 CB TYR I 65 84.664 3.415 -14.734 1.00 15.29 C
+ATOM 2314 CG TYR I 65 83.299 3.982 -14.446 1.00 12.57 C
+ATOM 2315 CD1 TYR I 65 83.095 4.980 -13.487 1.00 9.27 C
+ATOM 2316 CD2 TYR I 65 82.180 3.413 -15.038 1.00 12.38 C
+ATOM 2317 CE1 TYR I 65 81.801 5.364 -13.136 1.00 6.46 C
+ATOM 2318 CE2 TYR I 65 80.901 3.790 -14.689 1.00 9.07 C
+ATOM 2319 CZ TYR I 65 80.716 4.752 -13.750 1.00 5.31 C
+ATOM 2320 OH TYR I 65 79.414 5.069 -13.468 1.00 9.06 O
+ATOM 2321 N LYS I 66 87.795 3.964 -16.559 1.00 25.54 N
+ATOM 2322 CA LYS I 66 89.040 3.269 -16.849 1.00 29.28 C
+ATOM 2323 C LYS I 66 90.055 3.514 -15.762 1.00 26.38 C
+ATOM 2324 O LYS I 66 90.374 4.670 -15.496 1.00 26.41 O
+ATOM 2325 CB LYS I 66 89.588 3.790 -18.179 1.00 34.95 C
+ATOM 2326 CG LYS I 66 90.946 3.231 -18.671 1.00 36.59 C
+ATOM 2327 CD LYS I 66 91.190 3.834 -20.083 1.00 43.83 C
+ATOM 2328 CE LYS I 66 92.547 3.462 -20.733 1.00 45.70 C
+ATOM 2329 NZ LYS I 66 92.609 3.983 -22.181 1.00 47.74 N
+ATOM 2330 N PRO I 67 90.618 2.436 -15.163 1.00 24.60 N
+ATOM 2331 CA PRO I 67 91.624 2.478 -14.091 1.00 22.15 C
+ATOM 2332 C PRO I 67 92.859 3.236 -14.553 1.00 24.75 C
+ATOM 2333 O PRO I 67 93.371 2.966 -15.634 1.00 28.63 O
+ATOM 2334 CB PRO I 67 91.947 1.011 -13.873 1.00 19.36 C
+ATOM 2335 CG PRO I 67 90.691 0.328 -14.263 1.00 18.77 C
+ATOM 2336 CD PRO I 67 90.305 1.043 -15.509 1.00 19.15 C
+ATOM 2337 N TRP I 68 93.316 4.187 -13.737 1.00 27.05 N
+ATOM 2338 CA TRP I 68 94.482 5.019 -14.052 1.00 29.48 C
+ATOM 2339 C TRP I 68 95.622 4.931 -13.035 1.00 28.67 C
+ATOM 2340 O TRP I 68 96.793 4.982 -13.409 1.00 28.61 O
+ATOM 2341 CB TRP I 68 94.049 6.478 -14.187 1.00 29.24 C
+ATOM 2342 CG TRP I 68 95.180 7.430 -14.442 1.00 34.31 C
+ATOM 2343 CD1 TRP I 68 95.987 7.474 -15.549 1.00 36.17 C
+ATOM 2344 CD2 TRP I 68 95.621 8.493 -13.586 1.00 35.72 C
+ATOM 2345 NE1 TRP I 68 96.897 8.501 -15.434 1.00 36.03 N
+ATOM 2346 CE2 TRP I 68 96.696 9.141 -14.240 1.00 35.64 C
+ATOM 2347 CE3 TRP I 68 95.215 8.960 -12.329 1.00 37.87 C
+ATOM 2348 CZ2 TRP I 68 97.367 10.223 -13.679 1.00 36.54 C
+ATOM 2349 CZ3 TRP I 68 95.886 10.042 -11.768 1.00 37.54 C
+ATOM 2350 CH2 TRP I 68 96.950 10.659 -12.444 1.00 39.87 C
+ATOM 2351 N ALA I 69 95.288 4.859 -11.752 1.00 25.55 N
+ATOM 2352 CA ALA I 69 96.299 4.778 -10.715 1.00 22.36 C
+ATOM 2353 C ALA I 69 95.654 4.217 -9.477 1.00 25.29 C
+ATOM 2354 O ALA I 69 94.442 4.317 -9.325 1.00 27.73 O
+ATOM 2355 CB ALA I 69 96.834 6.151 -10.415 1.00 18.19 C
+ATOM 2356 N LEU I 70 96.447 3.581 -8.624 1.00 25.04 N
+ATOM 2357 CA LEU I 70 95.951 3.040 -7.360 1.00 23.52 C
+ATOM 2358 C LEU I 70 96.783 3.754 -6.313 1.00 24.67 C
+ATOM 2359 O LEU I 70 97.988 3.945 -6.519 1.00 22.89 O
+ATOM 2360 CB LEU I 70 96.172 1.525 -7.248 1.00 22.45 C
+ATOM 2361 CG LEU I 70 95.658 0.840 -5.961 1.00 27.73 C
+ATOM 2362 CD1 LEU I 70 94.129 0.753 -5.933 1.00 23.96 C
+ATOM 2363 CD2 LEU I 70 96.219 -0.556 -5.853 1.00 26.94 C
+ATOM 2364 N VAL I 71 96.149 4.209 -5.235 1.00 21.54 N
+ATOM 2365 CA VAL I 71 96.867 4.905 -4.177 1.00 21.10 C
+ATOM 2366 C VAL I 71 96.509 4.375 -2.801 1.00 24.08 C
+ATOM 2367 O VAL I 71 95.333 4.323 -2.446 1.00 27.70 O
+ATOM 2368 CB VAL I 71 96.606 6.435 -4.191 1.00 16.26 C
+ATOM 2369 CG1 VAL I 71 97.285 7.099 -2.999 1.00 22.46 C
+ATOM 2370 CG2 VAL I 71 97.142 7.064 -5.457 1.00 16.36 C
+ATOM 2371 N ILE I 72 97.527 3.937 -2.054 1.00 27.68 N
+ATOM 2372 CA ILE I 72 97.358 3.452 -0.680 1.00 27.54 C
+ATOM 2373 C ILE I 72 97.999 4.501 0.219 1.00 28.76 C
+ATOM 2374 O ILE I 72 99.169 4.838 0.050 1.00 26.96 O
+ATOM 2375 CB ILE I 72 98.101 2.156 -0.402 1.00 28.39 C
+ATOM 2376 CG1 ILE I 72 97.808 1.123 -1.480 1.00 25.57 C
+ATOM 2377 CG2 ILE I 72 97.681 1.637 0.962 1.00 25.20 C
+ATOM 2378 CD1 ILE I 72 96.401 0.631 -1.460 1.00 34.92 C
+ATOM 2379 N GLN I 73 97.232 5.016 1.164 1.00 27.63 N
+ATOM 2380 CA GLN I 73 97.725 6.034 2.074 1.00 26.81 C
+ATOM 2381 C GLN I 73 97.666 5.471 3.489 1.00 28.33 C
+ATOM 2382 O GLN I 73 96.623 4.955 3.909 1.00 26.73 O
+ATOM 2383 CB GLN I 73 96.838 7.261 1.940 1.00 25.24 C
+ATOM 2384 CG GLN I 73 97.179 8.388 2.849 1.00 23.99 C
+ATOM 2385 CD GLN I 73 96.209 9.526 2.699 1.00 23.25 C
+ATOM 2386 OE1 GLN I 73 95.399 9.785 3.593 1.00 24.19 O
+ATOM 2387 NE2 GLN I 73 96.258 10.196 1.558 1.00 16.66 N
+ATOM 2388 N ASP I 74 98.776 5.538 4.216 1.00 29.80 N
+ATOM 2389 CA ASP I 74 98.814 4.992 5.572 1.00 33.96 C
+ATOM 2390 C ASP I 74 98.286 5.936 6.629 1.00 38.37 C
+ATOM 2391 O ASP I 74 98.092 7.120 6.372 1.00 39.02 O
+ATOM 2392 CB ASP I 74 100.222 4.528 5.948 1.00 34.80 C
+ATOM 2393 CG ASP I 74 101.271 5.604 5.754 1.00 39.69 C
+ATOM 2394 OD1 ASP I 74 100.966 6.793 5.979 1.00 44.01 O
+ATOM 2395 OD2 ASP I 74 102.416 5.259 5.384 1.00 42.81 O
+ATOM 2396 N SER I 75 98.131 5.417 7.842 1.00 41.91 N
+ATOM 2397 CA SER I 75 97.622 6.194 8.966 1.00 46.49 C
+ATOM 2398 C SER I 75 98.353 7.505 9.149 1.00 45.94 C
+ATOM 2399 O SER I 75 97.809 8.431 9.746 1.00 49.15 O
+ATOM 2400 CB SER I 75 97.701 5.383 10.260 1.00 50.31 C
+ATOM 2401 OG SER I 75 97.047 4.128 10.114 1.00 58.64 O
+ATOM 2402 N ASN I 76 99.583 7.591 8.644 1.00 44.20 N
+ATOM 2403 CA ASN I 76 100.343 8.823 8.775 1.00 44.08 C
+ATOM 2404 C ASN I 76 100.295 9.709 7.522 1.00 40.21 C
+ATOM 2405 O ASN I 76 101.111 10.608 7.345 1.00 42.85 O
+ATOM 2406 CB ASN I 76 101.776 8.545 9.264 1.00 49.55 C
+ATOM 2407 CG ASN I 76 102.683 7.998 8.178 1.00 59.17 C
+ATOM 2408 OD1 ASN I 76 102.778 6.786 7.982 1.00 65.07 O
+ATOM 2409 ND2 ASN I 76 103.371 8.892 7.474 1.00 64.74 N
+ATOM 2410 N GLY I 77 99.310 9.468 6.670 1.00 34.43 N
+ATOM 2411 CA GLY I 77 99.137 10.269 5.476 1.00 30.22 C
+ATOM 2412 C GLY I 77 100.084 10.021 4.332 1.00 32.26 C
+ATOM 2413 O GLY I 77 99.982 10.666 3.294 1.00 31.31 O
+ATOM 2414 N GLU I 78 101.016 9.096 4.512 1.00 36.11 N
+ATOM 2415 CA GLU I 78 101.989 8.774 3.471 1.00 35.90 C
+ATOM 2416 C GLU I 78 101.350 7.901 2.384 1.00 31.10 C
+ATOM 2417 O GLU I 78 100.690 6.902 2.679 1.00 30.91 O
+ATOM 2418 CB GLU I 78 103.195 8.070 4.108 1.00 43.92 C
+ATOM 2419 CG GLU I 78 104.397 7.853 3.189 1.00 57.54 C
+ATOM 2420 CD GLU I 78 105.317 6.730 3.670 1.00 64.67 C
+ATOM 2421 OE1 GLU I 78 105.897 6.870 4.783 1.00 65.61 O
+ATOM 2422 OE2 GLU I 78 105.449 5.714 2.930 1.00 63.94 O
+ATOM 2423 N ASN I 79 101.571 8.274 1.131 1.00 26.86 N
+ATOM 2424 CA ASN I 79 101.017 7.555 -0.011 1.00 32.42 C
+ATOM 2425 C ASN I 79 101.934 6.540 -0.671 1.00 33.08 C
+ATOM 2426 O ASN I 79 103.148 6.676 -0.651 1.00 38.35 O
+ATOM 2427 CB ASN I 79 100.607 8.545 -1.102 1.00 34.45 C
+ATOM 2428 CG ASN I 79 99.484 9.450 -0.675 1.00 38.16 C
+ATOM 2429 OD1 ASN I 79 98.718 9.137 0.237 1.00 43.00 O
+ATOM 2430 ND2 ASN I 79 99.378 10.588 -1.330 1.00 43.61 N
+ATOM 2431 N LYS I 80 101.339 5.534 -1.292 1.00 31.67 N
+ATOM 2432 CA LYS I 80 102.081 4.541 -2.037 1.00 31.26 C
+ATOM 2433 C LYS I 80 101.267 4.567 -3.304 1.00 30.43 C
+ATOM 2434 O LYS I 80 100.107 4.169 -3.298 1.00 31.82 O
+ATOM 2435 CB LYS I 80 102.013 3.155 -1.400 1.00 38.65 C
+ATOM 2436 CG LYS I 80 102.498 3.070 0.042 1.00 49.21 C
+ATOM 2437 CD LYS I 80 101.380 3.438 1.011 1.00 54.62 C
+ATOM 2438 CE LYS I 80 101.701 3.072 2.443 1.00 57.55 C
+ATOM 2439 NZ LYS I 80 100.450 3.046 3.246 1.00 57.20 N
+ATOM 2440 N ILE I 81 101.849 5.134 -4.354 1.00 29.72 N
+ATOM 2441 CA ILE I 81 101.206 5.292 -5.660 1.00 30.27 C
+ATOM 2442 C ILE I 81 101.631 4.205 -6.654 1.00 33.72 C
+ATOM 2443 O ILE I 81 102.809 3.874 -6.772 1.00 35.61 O
+ATOM 2444 CB ILE I 81 101.546 6.707 -6.227 1.00 27.97 C
+ATOM 2445 CG1 ILE I 81 101.227 7.761 -5.161 1.00 27.28 C
+ATOM 2446 CG2 ILE I 81 100.799 7.004 -7.529 1.00 21.12 C
+ATOM 2447 CD1 ILE I 81 101.754 9.112 -5.474 1.00 30.29 C
+ATOM 2448 N LYS I 82 100.659 3.615 -7.334 1.00 37.51 N
+ATOM 2449 CA LYS I 82 100.942 2.589 -8.327 1.00 35.34 C
+ATOM 2450 C LYS I 82 100.106 2.858 -9.574 1.00 35.67 C
+ATOM 2451 O LYS I 82 98.887 2.669 -9.576 1.00 37.89 O
+ATOM 2452 CB LYS I 82 100.627 1.200 -7.786 1.00 38.02 C
+ATOM 2453 CG LYS I 82 100.967 0.089 -8.762 1.00 37.70 C
+ATOM 2454 CD LYS I 82 100.316 -1.211 -8.345 1.00 43.24 C
+ATOM 2455 CE LYS I 82 100.724 -2.354 -9.259 1.00 44.50 C
+ATOM 2456 NZ LYS I 82 100.371 -2.116 -10.694 1.00 49.71 N
+ATOM 2457 N MET I 83 100.768 3.369 -10.605 1.00 33.60 N
+ATOM 2458 CA MET I 83 100.136 3.674 -11.876 1.00 28.72 C
+ATOM 2459 C MET I 83 99.760 2.357 -12.526 1.00 30.68 C
+ATOM 2460 O MET I 83 100.584 1.461 -12.633 1.00 33.94 O
+ATOM 2461 CB MET I 83 101.104 4.439 -12.777 1.00 27.79 C
+ATOM 2462 CG MET I 83 101.669 5.730 -12.177 1.00 30.48 C
+ATOM 2463 SD MET I 83 100.486 7.096 -12.032 1.00 37.48 S
+ATOM 2464 CE MET I 83 99.769 7.066 -13.668 1.00 30.94 C
+ATOM 2465 N LEU I 84 98.490 2.229 -12.881 1.00 32.52 N
+ATOM 2466 CA LEU I 84 97.955 1.038 -13.520 1.00 31.88 C
+ATOM 2467 C LEU I 84 97.821 1.355 -15.014 1.00 33.30 C
+ATOM 2468 O LEU I 84 98.120 2.497 -15.426 1.00 35.54 O
+ATOM 2469 CB LEU I 84 96.566 0.709 -12.948 1.00 29.11 C
+ATOM 2470 CG LEU I 84 96.285 0.748 -11.440 1.00 30.06 C
+ATOM 2471 CD1 LEU I 84 94.778 0.648 -11.198 1.00 34.47 C
+ATOM 2472 CD2 LEU I 84 97.008 -0.363 -10.715 1.00 27.95 C
+ATOM 2473 OXT LEU I 84 97.379 0.473 -15.771 1.00 37.78 O
--- /dev/null
+ program generator
+ implicit none
+ integer proba, conf, cm1, cm2, accept, nd
+ integer krok, i, n, j, g, ii1, ilosc, ijl
+ integer nnn, seed, proba1, proba2, proba3, proba0x,proba0y,proba0z
+ integer ilosc_atomow1, ilosc_atomow2, korekta1, korekta2
+ integer ile_reszt_mol1, ile_reszt_mol2, ir, peptide,numerr2(90000)
+ integer numera1(90000),numerr1(90000),numera2(90000)
+ integer glys1, glys2, glye1, glye2, ilee
+ real*8 rand, r, boxx, boxy, boxz, dist2acm, dist1acm, b(4), t(3)
+ real*8 minx1, miny1, minz1, maxx1, maxy1, maxz1
+ real*8 minx2, miny2, minz2, maxx2, maxy2, maxz2
+ real*8 distx1, disty1, distz1, distx2, disty2, distz2
+ real*8 xcm1, ycm1, zcm1, xcm2, ycm2, zcm2
+ real*8 dist1cm, dist1cmt, dist2cm, dist2cmt
+ real*8 cm2xr, cm2yr, cm2zr,x2r(90000),y2r(90000),z2r(90000),dist12
+ real*8 angle, c, s, x2new, y2new, z2new
+ character*60 plik1, plik2, plik3, plik4
+ character*54 linia
+ real*8 x1(90000),y1(90000),z1(90000),x2(90000),y2(90000),z2(90000)
+ real*8 dd, wymiar, cmxx(900), cmyy(900), cmzz(900),xt2(90000,3)
+ real*8 xf(90000,3)
+ character*1 chain
+ character*3 r1s, r2s, r1e, r2e
+ character*5 atoma1(90000), atoma2(90000)
+ character*6 nazwaa1(90000), nazwar1(90000)
+ character*6 nazwaa2(90000), nazwar2(90000)
+
+ korekta1 = 1
+ korekta2 = 1
+
+c write(*,*)"Sposob uruchamiania:"
+c write(*,*)"nazwa_programu nazwa_pliku_inp_pdb1
+c & nazwa_pliku_inp_pdb2 nazwa_pliku_out"
+c write(*,*)""
+
+ nnn = iargc()
+ if (nnn.lt.3) then
+ write(*,*)"program input_pdb1 input_pdb2
+ & [0-1] 0 for protein, 1 for peptide"
+ stop
+ endif
+
+ call getarg(1,plik1)
+ call getarg(2,plik2)
+ call getarg(3,plik3)
+ open(1,file=plik1,status="old")
+ open(2,file=plik2,status="old")
+ open(4,file='temp1')
+ open(5,file='temp2')
+ write(*,*) "All files read"
+
+ read(plik3(1:1),'(i1)') peptide
+
+ if (peptide.ne.0.and.peptide.ne.1) then
+ write(*,*) "Third parameter must be 0 or 1,
+ & where 0 is for a protein-protein docking,
+ & and 1 is for protein-peptide docking."
+ STOP
+ endif
+
+ write(*,*) "Option", peptide, "selected
+ & (0 for protein, 1 for peptide)"
+
+
+c MOLEKULA 1
+ do while (.true.)
+ read(1,'(a54)',end=22) linia
+ if (linia(1:4).eq.'ATOM'.and.linia(17:17).lt.'B') then
+ write(4,'(a54)') linia
+ endif
+ if (linia(1:3).eq.'TER') then
+c write(2,'(a54)') linia
+ goto 22
+ endif
+ enddo
+
+22 continue
+ close(4)
+ write(*,*) "Molecule 1 read"
+
+
+c MOLEKULA 2
+ do while (.true.)
+ read(2,'(a54)',end=23) linia
+ if (linia(1:4).eq.'ATOM'.and.linia(17:17).lt.'B') then
+ write(5,'(a54)') linia
+ endif
+ if (linia(1:3).eq.'TER') then
+c write(2,'(a54)') linia
+ goto 23
+ endif
+ enddo
+23 continue
+ close(5)
+ write(*,*) "Molecule 2 read"
+
+ open(4,file='temp1')
+ open(5,file='temp2')
+
+ minx1=999.99
+ miny1=999.99
+ minz1=999.99
+
+ maxx1=-999.99
+ maxy1=-999.99
+ maxz1=-999.99
+
+
+ minx2=999.99
+ miny2=999.99
+ minz2=999.99
+
+ maxx2=-999.99
+ maxy2=-999.99
+ maxz2=-999.99
+
+
+
+c MOLEKULA 1
+ i=1
+ xcm1=0
+ ycm1=0
+ zcm1=0
+ ile_reszt_mol1=0
+
+ do while (.true.)
+ read(4,800,end=111)
+ & atoma1(i),numera1(i),nazwaa1(i),nazwar1(i),chain,numerr1(i),
+ & x1(i),y1(i),z1(i)
+
+
+c write(*,300) minx, maxx, miny, maxy, minz, maxz
+
+ if (x1(i).lt.minx1) minx1=x1(i)
+ if (y1(i).lt.miny1) miny1=y1(i)
+ if (z1(i).lt.minz1) minz1=z1(i)
+
+ if (x1(i).gt.maxx1) maxx1=x1(i)
+ if (y1(i).gt.maxy1) maxy1=y1(i)
+ if (z1(i).gt.maxz1) maxz1=z1(i)
+
+c write(*,300) minx, maxx, miny, maxy, minz, maxz
+
+c write(*,*) nazwaa1(i)
+ if (nazwaa1(i).eq.' CA ') then
+ xcm1 = xcm1 + x1(i)
+ ycm1 = ycm1 + y1(i)
+ zcm1 = zcm1 + z1(i)
+ ile_reszt_mol1 = ile_reszt_mol1 +1
+ endif
+
+ if (atoma1(i).eq.'TER ') goto 111
+ if (atoma1(i).eq.'END ') goto 111
+ if (i.eq.1) write(3,'(a6)') "REMARK"
+c write(3,800) atoma1(i),numera1(i),nazwaa1(i),nazwar1(i),
+c & numerr1(i),x1(i),y1(i),z1(i)
+
+c write(*,*) i, x(i),y(i),z(i)
+
+ i=i+1
+ enddo
+111 continue
+
+ distx1=maxx1-minx1
+ disty1=maxy1-miny1
+ distz1=maxz1-minz1
+ ilosc_atomow1 = i-1
+ xcm1 = xcm1 / (ile_reszt_mol1*1.0)
+ ycm1 = ycm1 / (ile_reszt_mol1*1.0)
+ zcm1 = zcm1 / (ile_reszt_mol1*1.0)
+
+ do i=1,ilosc_atomow1
+ x1(i)=x1(i)-xcm1
+ y1(i)=y1(i)-ycm1
+ z1(i)=z1(i)-zcm1
+ enddo
+
+ xcm1=0
+ ycm1=0
+ zcm1=0
+
+ do i=1,ilosc_atomow1
+ if (nazwaa1(i).eq.' CA ') then
+ xcm1 = xcm1 + x1(i)
+ ycm1 = ycm1 + y1(i)
+ zcm1 = zcm1 + z1(i)
+ endif
+ enddo
+ xcm1 = xcm1 / (ile_reszt_mol1*1.0)
+ ycm1 = ycm1 / (ile_reszt_mol1*1.0)
+ zcm1 = zcm1 / (ile_reszt_mol1*1.0)
+
+ dist1cm=999.9
+ dist1acm=0.0
+ do i=1,ilosc_atomow1
+c write(3,800) atoma1(i),numera1(i),nazwaa1(i),nazwar1(i),
+c & numerr1(i),x1(i)-xcm1,y1(i)-ycm1,z1(i)-zcm1
+
+ dist1cmt = dsqrt(((xcm1-x1(i))**2)+
+ & ((ycm1-y1(i))**2)+
+ & ((zcm1-z1(i))**2))
+
+c write(*,*) dist1cmt, dist1cm, i, cm1
+ if (dist1cm.gt.dist1cmt) then
+ dist1cm=dist1cmt
+ cm1=i
+ endif
+
+ enddo
+
+ do i=1,ilosc_atomow1
+ do j=i,ilosc_atomow1
+ dist1cmt = dsqrt(((x1(j)-x1(i))**2)+
+ & ((y1(j)-y1(i))**2)+
+ & ((z1(j)-z1(i))**2))
+ if (dist1acm.lt.dist1cmt) then
+ dist1acm=dist1cmt
+ endif
+ enddo
+ enddo
+
+
+c write(3,303) "TER"
+c write(3,304) "ENDMDL"
+
+ write(*,*) "Molecule 1 calculated"
+
+c MOLEKULA 2
+ i=1
+ xcm2=0
+ ycm2=0
+ zcm2=0
+ ile_reszt_mol2=0
+
+ do while (.true.)
+ read(5,800,end=112)
+ & atoma2(i),numera2(i),nazwaa2(i),nazwar2(i),chain,numerr2(i),
+ & x2(i),y2(i),z2(i)
+
+c write(*,300) minx, maxx, miny, maxy, minz, maxz
+
+ if (x2(i).lt.minx2) minx2=x2(i)
+ if (y2(i).lt.miny2) miny2=y2(i)
+ if (z2(i).lt.minz2) minz2=z2(i)
+
+ if (x2(i).gt.maxx2) maxx2=x2(i)
+ if (y2(i).gt.maxy2) maxy2=y2(i)
+ if (z2(i).gt.maxz2) maxz2=z2(i)
+
+c write(*,300) minx, maxx, miny, maxy, minz, maxz
+
+c write(*,*) nazwaa1(i)
+ if (nazwaa2(i).eq.' CA ') then
+ xcm2 = xcm2 + x2(i)
+ ycm2 = ycm2 + y2(i)
+ zcm2 = zcm2 + z2(i)
+ ile_reszt_mol2 = ile_reszt_mol2 + 1
+ endif
+
+ if (atoma2(i).eq.'TER ') goto 111
+ if (atoma2(i).eq.'END ') goto 111
+c if (i.eq.1) write(3,'(a6)') "REMARK"
+c write(3,800) atoma2(i),numera2(i),nazwaa2(i),nazwar2(i),
+c & numerr2(i),x2(i),y2(i),z2(i)
+c write(*,*) i, x(i),y(i),z(i)
+
+ i=i+1
+ enddo
+112 continue
+
+ distx2=maxx2-minx2
+ disty2=maxy2-miny2
+ distz2=maxz2-minz2
+ ilosc_atomow2 = i-1
+
+ xcm2 = xcm2 / (ile_reszt_mol2*1.0)
+ ycm2 = ycm2 / (ile_reszt_mol2*1.0)
+ zcm2 = zcm2 / (ile_reszt_mol2*1.0)
+
+ do i=1,ilosc_atomow2
+ x2(i)=x2(i)-xcm2
+ y2(i)=y2(i)-ycm2
+ z2(i)=z2(i)-zcm2
+c write(*,*) x2(i),y2(i),z2(i)
+ xt2(i,1)=x2(i)
+ xt2(i,2)=y2(i)
+ xt2(i,3)=z2(i)
+c write(*,*) xt2(i,1), xt2(i,2), xt2(i,3)
+ enddo
+
+ xcm2=0
+ ycm2=0
+ zcm2=0
+ do i=1,ilosc_atomow2
+ if (nazwaa2(i).eq.' CA ') then
+ xcm2 = xcm2 + x2(i)
+ ycm2 = ycm2 + y2(i)
+ zcm2 = zcm2 + z2(i)
+ endif
+ enddo
+ xcm2 = xcm2 / (ile_reszt_mol2*1.0)
+ ycm2 = ycm2 / (ile_reszt_mol2*1.0)
+ zcm2 = zcm2 / (ile_reszt_mol2*1.0)
+
+
+ dist2cm=999.9
+ dist2acm=0.0
+ do i=1,ilosc_atomow2
+c write(3,800) atoma2(i),numera2(i),nazwaa2(i),nazwar2(i),
+c & numerr2(i),x2(i)-xcm2,y2(i)-ycm2,z2(i)-zcm2
+
+ dist2cmt = dsqrt(((xcm2-x2(i))**2)+
+ & ((ycm2-y2(i))**2)+
+ & ((zcm2-z2(i))**2))
+
+c write(*,*) dist2cmt, dist2cm, i, cm2
+ if (dist2cm.gt.dist2cmt) then
+ dist2cm=dist2cmt
+ cm2=i
+ endif
+
+ enddo
+
+
+ do i=1,ilosc_atomow2
+ do j=i,ilosc_atomow2
+ dist2cmt = dsqrt(((x2(j)-x2(i))**2)+
+ & ((y2(j)-y2(i))**2)+
+ & ((z2(j)-z2(i))**2))
+ if (dist2acm.lt.dist2cmt) then
+ dist2acm=dist2cmt
+ endif
+ enddo
+ enddo
+
+
+c write(3,303) "TER"
+
+ glys1=0
+ glys2=0
+ glye1=0
+ glye2=0
+ r1s=nazwar1(1)
+ r2s=nazwar2(1)
+ r1e=nazwar1(ile_reszt_mol1)
+ r2e=nazwar2(ile_reszt_mol2)
+
+ if (r1s.eq."GLY") then
+ glys1=1
+ write(*,*) "Chain 1 is starting from Gly ", r1s, glys1
+ endif
+
+ if (r2s.eq."GLY") then
+ glys2=1
+ write(*,*) "Chain 2 is starting from Gly ", r2s, glys2
+ endif
+
+ if (r1e.eq."GLY") then
+ glye1=1
+ write(*,*) "Chain 1 is ending at Gly ", r1e, glye1
+ endif
+
+
+ if (r2e.eq."GLY") then
+ glye2=1
+ write(*,*) "Chain 2 is ending from Gly ", r2e, glye2
+ endif
+
+
+c checking for Gly
+ ilee=4
+ if(glys1.eq.1) ilee=ilee-1
+ if(glys2.eq.1) ilee=ilee-1
+ if(glye1.eq.1) ilee=ilee-1
+ if(glye2.eq.1) ilee=ilee-1
+ write(*,*) "How many dummy atoms:", ilee
+ write(*,*) ""
+
+
+ write(*,*) "Molecule 2 calculated"
+ write(*,*) "Number of atoms:", ilosc_atomow1, ilosc_atomow2
+
+ write(*,*) "Min and max coordinates in the systems"
+ write(*,300) minx1, maxx1, miny1, maxy1, minz1, maxz1
+ write(*,300) minx2, maxx2, miny2, maxy2, minz2, maxz2
+
+ write(*,*) "Distances in axes x, y, z"
+ write(*,301) distx1, disty1, distz1
+ write(*,301) distx2, disty2, distz2
+
+ boxx = (distx1 + distx2)*1.5 + 20.0
+ boxy = (disty1 + disty2)*1.5 + 20.0
+ boxz = (distz1 + distz2)*1.5 + 20.0
+
+c write(*,*) "Boxsize [x, y, z]"
+c write(*,301) boxx, boxy, boxz
+
+ write(*,*) "Maximum distances:"
+ write(*,*) dist1acm, dist2acm
+
+ write(*,*) "Boxsize (suggested)"
+ write(*,*) (dist1acm+dist2acm)*1.2+20
+ open(61,file='boxsize.txt')
+ write(61,302) ((dist1acm+dist2acm)*1.2+20)
+ close (61)
+
+ write(*,*) "Center of masses:"
+ write(*,301) xcm1, ycm1, zcm1
+ write(*,301) xcm2, ycm2, zcm2
+
+ write(*,*) "Center of masses atoms:"
+ write(*,800) atoma1(cm1),numera1(cm1),nazwaa1(cm1),nazwar1(cm1),
+ & " ",numerr1(cm1),x1(cm1),y1(cm1),z1(cm1)
+ write(*,800) atoma2(cm2),numera2(cm2),nazwaa2(cm2),nazwar2(cm2),
+ & " ",numerr2(cm2),x2(cm2),y2(cm2),z2(cm2)
+
+
+ write(*,*) "Number of amino-acid residues in two proteins:"
+ write(*,*) ile_reszt_mol1, ile_reszt_mol2
+
+
+c ---------------------------------------------------------------------
+c KONIEC WCZYTYWANIA
+c ---------------------------------------------------------------------
+
+ korekta1 = numerr1(1)
+ write(*,*) "Original number of the first residue in
+ & the first protein:"
+ write(*,*) numerr1(1)
+
+ write(*,*) "Correction of the first residue in the first protein:"
+ write(*,*) korekta1
+
+
+c wymiar=(distx1 + distx2)+(disty1 + disty2)+(distz1 + distz2)
+c wymiar=wymiar/12.0
+c wymiar=10.0
+
+c write(*,*) "Minimum required distance between centers of mass:"
+c write(*,*) wymiar
+
+ boxx = (7+distx1 + dist2acm)/2.0
+ boxy = (7+disty1 + dist2acm)/2.0
+ boxz = (7+distz1 + dist2acm)/2.0
+ write(*,*) "Rotation space (+/-):", boxx, boxy, boxz
+
+
+ do ii1=1,24
+
+ proba = 1
+ proba0x = 1
+ proba0y = 1
+ proba0z = 1
+ proba1 = 1
+ proba2 = 1
+ proba3 = 1
+ conf = 1
+
+
+ if (ii1.lt.10) then
+ write (plik3, "(A6,I1,a4)") "model0", ii1, ".pdb"
+ else
+ write (plik3, "(A5,I2,a4)") "model", ii1, ".pdb"
+ endif
+
+ write(*,*) "Conformation will be saved to file:", plik3
+
+c plik3a = plik3//ilosc
+ open(3,file=plik3)
+
+
+ do i=1,ilosc_atomow1
+ write(3,800) atoma1(i),numera1(i),nazwaa1(i),nazwar1(i),"A",
+ & (numerr1(i)-korekta1+1),
+ & x1(i),y1(i),z1(i)
+ enddo
+ write(3,303) "TER"
+c write(3,304) "ENDMDL"
+
+ if (peptide.eq.1) then
+ wymiar=((distx1 + distx2)+(disty1 + disty2)+(distz1 + distz2))/4
+ endif
+
+ if (peptide.eq.0) then
+ wymiar=((distx1 + distx2)+(disty1 + disty2)+(distz1 + distz2))/7
+ endif
+
+ if (ii1.eq.1) then
+ write(*,*) "Initial minimum distance between centers of mass:",
+ & wymiar
+ endif
+
+c ROTATIONS OF THE SECOND MOLECULE
+ nd=4
+ t(1)=0.0
+ t(2)=0.0
+ t(3)=0.0
+ call ranorND(b,nd,ilosc_atomow2,ii1)
+c do i=1,4
+c write(*,*) b(i)
+c enddo
+ call rot_trans(xt2,t,b,xf,ilosc_atomow2)
+ do i=1,ilosc_atomow2
+ x2(i)=xf(i,1)
+ y2(i)=xf(i,2)
+ z2(i)=xf(i,3)
+ enddo
+c END OF ROTATIONS
+
+
+ do while (.true.)
+ if (conf.gt.1) goto 133
+
+ seed = time()*proba
+ call srand(seed)
+ r = rand(0)
+c write(*,*)rand(0),rand(0),rand(0)
+c write(*,*)rand(0),rand(0),rand(0)
+
+ cm2xr = (rand(0)*2*boxx)-(boxx)
+ cm2yr = (rand(0)*2*boxy)-(boxy)
+ cm2zr = (rand(0)*2*boxz)-(boxz)
+c write(*,*) cm2xr, cm2yr, cm2zr
+c write(*,300)rand(0),rand(0),rand(0)
+
+c write(*,*) ABS(cm2xr+xcm1), (dist1acm+dist2acm+3)
+
+c if (ABS(cm2xr+xcm1).gt.((dist1acm+dist2acm+5)*0.8)) then
+c proba0x=proba0x+1
+c goto 200
+c endif
+
+c if (ABS(cm2yr+ycm1).gt.((dist1acm+dist2acm+5)*0.8)) then
+c proba0y=proba0y+1
+c goto 200
+c endif
+
+c if (ABS(cm2zr+zcm1).gt.((dist1acm+dist2acm+5)*0.8)) then
+c proba0z=proba0z+1
+c goto 200
+c endif
+
+
+ do i=1,ilosc_atomow2
+ x2r(i)=x2(i)-cm2xr
+ y2r(i)=y2(i)-cm2yr
+ z2r(i)=z2(i)-cm2zr
+ enddo
+
+
+c SPRAWDZANIE CZY NIE JEST ZBYT PODOBNE DO JUZ WYLOSOWANEGO
+ cmxx(ii1)=cm2xr
+ cmyy(ii1)=cm2yr
+ cmzz(ii1)=cm2zr
+
+ if (ii1.gt.1) then
+
+ do ir=1,ii1-1
+ dd=sqrt((cm2xr-cmxx(ir))**2+(cm2yr-cmyy(ir))**2+
+ & (cm2zr-cmzz(ir))**2)
+
+c write(*,*) "Center of mass is", dd, "A away from", ir
+c write(*,*) "Minimum distance required:", wymiar, "A"
+
+c write(*,*) ii1, ir, proba3, dd, wymiar
+
+ if (dd.lt.wymiar) then
+ proba3=proba3+1
+ if (proba3.gt.1.and.peptide.eq.1) wymiar=wymiar*0.99992
+ if (proba3.gt.1.and.peptide.eq.0) wymiar=wymiar*0.99992
+c write(*,*) proba3, wymiar
+ goto 200
+ endif
+
+ enddo
+ endif
+
+
+
+
+c SPRAWDZANIE ODLEGLOSCI
+ accept=0
+ do i=1,ilosc_atomow2
+c write(3,800) atoma2(i),numera2(i),nazwaa2(i),nazwar2(i),
+c & numerr2(i),x2(i)-xcm2,y2(i)-ycm2,z2(i)-zcm2
+
+ do j=1,ilosc_atomow1
+ dist12 = sqrt(((x2r(i)-x1(j))**2)+
+ & ((y2r(i)-y1(j))**2)+
+ & ((z2r(i)-z1(j))**2))
+c write(*,*) dist12, cm2xr, cm2yr, cm2zr
+ if (dist12.lt.2.5) then
+ proba1=proba1+1
+ goto 200
+ endif
+
+ if (dist12.le.3.5) accept=1
+c if (dist12.le.3.5) accept=1
+c if (dist12.gt.3.5) proba2=proba2+1
+ enddo
+ enddo
+
+c write(*,*) "No overlaps", proba
+ if (accept.eq.0) goto 200
+c write(*,*) "No overlaps, contact", conf, proba
+c write(3,305) "MODEL", conf
+c conf = conf+1
+
+
+
+ write(*,*) "Conformation", ii1, "Is accepted after",
+ & proba0x+proba0y+proba0z,
+ & proba1, proba2, proba3, proba, "attempts. ",
+ & "Dist between CoM of previous=", wymiar
+
+c Dodatkowe info
+ write(*,*)"Extr",ABS(cm2xr+xcm1), ABS(cm2yr+ycm1), ABS(cm2zr+zcm1)
+
+
+ conf=conf+1
+c write (*,*)
+
+
+
+
+
+ korekta2 = numerr2(1)-1
+c write(*,*) "Original number of the first residue in
+c & the second protein:"
+c write(*,*) numerr2(1)
+
+c write(*,*)"Correction of the first residue in the second protein:"
+c write(*,*) korekta2
+ do i=1,ilosc_atomow2
+ write(3,800) atoma2(i),numera2(i),nazwaa2(i),nazwar2(i),"B",
+ & (numerr2(i)+ile_reszt_mol1-korekta2),
+ & x2r(i),y2r(i),z2r(i)
+ enddo
+ write(3,303) "TER"
+c write(3,304) "ENDMDL"
+c write(3,305) "MODEL", conf
+ write(3,303) "END"
+
+ 200 continue
+ proba = proba + 1
+ enddo
+ 133 continue
+
+ close (3)
+
+c call sleep(1)
+
+
+ if (ii1.lt.10) then
+ write (plik4, "(A9,I1,a4)") "template0", ii1, ".sco"
+ else
+ write (plik4, "(A8,I2,a4)") "template", ii1, ".sco"
+ endif
+
+ open (7,file=plik4)
+
+
+ if (peptide.eq.1) then
+ do ijl=1,(ile_reszt_mol1+ile_reszt_mol2+ilee)
+ if (glys1.eq.0) then
+ if (ijl.eq.1) write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ if (ijl.le.ile_reszt_mol1+1.and.ijl.gt.1)
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+ if (ijl.ge.(ile_reszt_mol1+2))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ endif
+
+ if (glys1.eq.1) then
+ if (ijl.eq.1) write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+ if (ijl.le.ile_reszt_mol1.and.ijl.gt.1)
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+ if (ijl.ge.(ile_reszt_mol1+1))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ endif
+ enddo
+ endif
+
+
+ if (peptide.eq.0) then
+ do ijl=1,(ile_reszt_mol1+ile_reszt_mol2+ilee)
+c write(*,*) "ijl"
+c no Gly
+ if (glys1.eq.0.and.glye1.eq.0.and.glys2.eq.0) then
+ if (ijl.eq.1) write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ if (ijl.le.ile_reszt_mol1+1.and.ijl.gt.1)
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+ if (ijl.ge.(ile_reszt_mol1+2).and.ijl.le.(ile_reszt_mol1+3))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ if (ijl.gt.(ile_reszt_mol1+3).and.
+ & ijl.le.(ile_reszt_mol2+ile_reszt_mol1+3))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "2"
+ if (ijl.ge.(ile_reszt_mol2+ile_reszt_mol1+4))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ endif
+
+
+c chain 1 first Gly
+ if (glys1.eq.1.and.glye1.eq.0.and.glys2.eq.0) then
+ if (ijl.eq.1) write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+ if (ijl.le.ile_reszt_mol1.and.ijl.gt.1)
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+ if (ijl.ge.(ile_reszt_mol1+1).and.ijl.le.(ile_reszt_mol1+2))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ if (ijl.gt.(ile_reszt_mol1+2).and.
+ & ijl.le.(ile_reszt_mol2+ile_reszt_mol1+2))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "2"
+ if (ijl.ge.(ile_reszt_mol2+ile_reszt_mol1+3))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ endif
+
+c chain 1 last Gly
+ if (glys1.eq.0.and.glye1.eq.1.and.glys2.eq.0) then
+ if (ijl.eq.1) write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ if (ijl.le.ile_reszt_mol1+1.and.ijl.gt.1)
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+ if (ijl.ge.(ile_reszt_mol1+2).and.ijl.le.(ile_reszt_mol1+2))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ if (ijl.gt.(ile_reszt_mol1+2).and.
+ & ijl.le.(ile_reszt_mol2+ile_reszt_mol1+2))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "2"
+ if (ijl.ge.(ile_reszt_mol2+ile_reszt_mol1+3))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ endif
+
+c chain 1 first Gly and chain 1 last Gly
+ if (glys1.eq.1.and.glye1.eq.1.and.glys2.eq.0) then
+ if (ijl.eq.1) write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+ if (ijl.le.ile_reszt_mol1.and.ijl.gt.1)
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+ if (ijl.ge.(ile_reszt_mol1+1).and.ijl.le.(ile_reszt_mol1+1))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ if (ijl.gt.(ile_reszt_mol1+1).and.
+ & ijl.le.(ile_reszt_mol2+ile_reszt_mol1+1))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "2"
+ if (ijl.ge.(ile_reszt_mol2+ile_reszt_mol1+2))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ endif
+
+c chain 2 first Gly
+ if (glys1.eq.0.and.glye1.eq.0.and.glys2.eq.1) then
+ if (ijl.eq.1) write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ if (ijl.le.ile_reszt_mol1+1.and.ijl.gt.1)
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+ if (ijl.ge.(ile_reszt_mol1+2).and.ijl.le.(ile_reszt_mol1+2))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ if (ijl.gt.(ile_reszt_mol1+2).and.
+ & ijl.le.(ile_reszt_mol2+ile_reszt_mol1+2))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "2"
+ if (ijl.ge.(ile_reszt_mol2+ile_reszt_mol1+3))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ endif
+
+c chain 1 first Gly chain 2 first Gly
+ if (glys1.eq.1.and.glye1.eq.0.and.glys2.eq.1) then
+ if (ijl.eq.1) write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+ if (ijl.le.ile_reszt_mol1.and.ijl.gt.1)
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+ if (ijl.ge.(ile_reszt_mol1+1).and.ijl.le.(ile_reszt_mol1+1))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ if (ijl.gt.(ile_reszt_mol1+1).and.
+ & ijl.le.(ile_reszt_mol2+ile_reszt_mol1+1))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "2"
+ if (ijl.ge.(ile_reszt_mol2+ile_reszt_mol1+2))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ endif
+
+c chain 1 last Gly chain 2 first Gly
+ if (glys1.eq.0.and.glye1.eq.1.and.glys2.eq.1) then
+ if (ijl.eq.1) write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ if (ijl.le.ile_reszt_mol1+1.and.ijl.gt.1)
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+c if (ijl.ge.(ile_reszt_mol1+2).and.ijl.le.(ile_reszt_mol1+3))
+c & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ if (ijl.gt.(ile_reszt_mol1+1).and.
+ & ijl.le.(ile_reszt_mol2+ile_reszt_mol1+1))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "2"
+ if (ijl.ge.(ile_reszt_mol2+ile_reszt_mol1+2))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ endif
+
+c all Gly
+ if (glys1.eq.1.and.glye1.eq.1.and.glys2.eq.1) then
+ if (ijl.eq.1) write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+ if (ijl.le.ile_reszt_mol1.and.ijl.gt.1)
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "1"
+c if (ijl.ge.(ile_reszt_mol1+2).and.ijl.le.(ile_reszt_mol1+3))
+c & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ if (ijl.gt.(ile_reszt_mol1).and.
+ & ijl.le.(ile_reszt_mol2+ile_reszt_mol1))
+ & write(7,*) ijl, "1.0 1.0 1.0 ", "2"
+c if (ijl.ge.(ile_reszt_mol2+ile_reszt_mol1+1))
+c & write(7,*) ijl, "1.0 1.0 1.0 ", "0"
+ endif
+
+
+
+ enddo
+ endif
+
+
+ close (7)
+
+c koniec petli po ilosci struktur
+ enddo
+
+c do i=1,20
+c write(*,*) i, cmxx(i), cmyy(i), cmzz(i)
+c dd=(cm2xr-cmxx(ir))**2+(cm2yr-cmyy(ir))**2+(cm2zr-cmyy(ir))**2
+c enddo
+
+c do i=1,20
+c do j=1,20
+c dd=sqrt((cmxx(i)-cmxx(j))**2+(cmyy(i)-cmyy(j))**2+
+c & (cmzz(i)-cmzz(j))**2)
+c write(*,*) i,j,dd
+c enddo
+c enddo
+
+
+ 300 format(6f8.2)
+ 301 format(3f8.2)
+ 302 format(f8.2)
+ 800 format(a4,2X,i5,1X,a4,1X,a3,1X,a1,i4,4X,3f8.3)
+ 303 format(a3)
+ 304 format(a6)
+ 305 format(a5,1X,i8)
+ end
+
+
+
+
+ SUBROUTINE SRAND(ISEED)
+C
+C This subroutine sets the integer seed to be used with the
+C companion RAND function to the value of ISEED. A flag is
+C set to indicate that the sequence of pseudo-random numbers
+C for the specified seed should start from the beginning.
+C
+ COMMON /SEED/JSEED,IFRST
+C
+ JSEED = ISEED
+ IFRST = 0
+C
+ RETURN
+ END
+ REAL FUNCTION RAND()
+C
+C This function returns a pseudo-random number for each invocation.
+C It is a FORTRAN 77 adaptation of the "Integer Version 2" minimal
+C standard number generator whose Pascal code appears in the article:
+C
+C Park, Steven K. and Miller, Keith W., "Random Number Generators:
+C Good Ones are Hard to Find", Communications of the ACM,
+C October, 1988.
+C
+ PARAMETER (MPLIER=16807,MODLUS=2147483647,MOBYMP=127773,
+ + MOMDMP=2836)
+C
+ COMMON /SEED/JSEED,IFRST
+ INTEGER HVLUE, LVLUE, TESTV, NEXTN
+ SAVE NEXTN
+C
+ IF (IFRST .EQ. 0) THEN
+ NEXTN = JSEED
+ IFRST = 1
+ ENDIF
+C
+ HVLUE = NEXTN / MOBYMP
+ LVLUE = MOD(NEXTN, MOBYMP)
+ TESTV = MPLIER*LVLUE - MOMDMP*HVLUE
+ IF (TESTV .GT. 0) THEN
+ NEXTN = TESTV
+ ELSE
+ NEXTN = TESTV + MODLUS
+ ENDIF
+ RAND = REAL(NEXTN)/REAL(MODLUS)
+C
+ RETURN
+ END
+ BLOCKDATA RANDBD
+ COMMON /SEED/JSEED,IFRST
+C
+ DATA JSEED,IFRST/123456789,0/
+C
+ END
+
+ Subroutine ranorND(b,nd,ilosc_atomow2,ii1)
+ double precision b
+C generates a random vector on a unit sphere onC an ND-dimensional space.
+C algorithm 40 page 410.
+C the algorithm assumes that the formula for bz is valid, i.e
+C bz=(1.0-2.0*ransq),
+C and also that, ransq can be computed as as the sum of the independent random
+C numbers to the second power (expression 3).
+ dimension ran(nd-1), b(nd)
+ integer seed
+c write(*,*) "In Subroutine ranorND(b,nd), nd=", nd
+c write(*,*) "ilosc_atomow2=", ilosc_atomow2
+c do j=1,ilosc_atomow2
+ ransq=2
+ seed = time()*ii1
+ call srand(seed)
+ do while (ransq.ge.1)
+c write(*,*) ransq
+ rsq=0.0
+ do i=1,nd-1
+ ran(i)=1.0-2.0*rand(0)
+c write(*,*) i, ran(i)
+ rsq=ran(i)*ran(i)+rsq ! (3)
+c write(*,*) i, rsq
+ enddo
+ ransq=rsq
+c write(*,*) j, ransq
+ enddo
+ ranh=2.0*sqrt(1.0-ransq)
+c write(*,*) j, ranh, ransq
+ do i=1,nd-1
+ b(i)=ran(i)*ranh
+c write(*,*) ran(i), ranh
+ enddo
+ b(nd)=(1.0-2.0*ransq)
+c write(*,*) b(1,j), b(2,j), b(3,j), b(4,j)
+c enddo
+ return
+ end
+
+ subroutine rot_trans(xt2,t,q,xf,ilosc_atomow2)
+C x coordinates, t translation vector, q quaternion
+ double precision xt2(90000,3),xf(90000,3)
+ double precision t(3),q(4)
+ integer i
+ write(*,*) "Rotation vector:", q(1), q(2), q(3), q(4)
+ r11= q(1)*q(1)+q(2)*q(2)-q(3)*q(3)-q(4)*q(4)
+ r22= q(1)*q(1)-q(2)*q(2)+q(3)*q(3)-q(4)*q(4)
+ r33= q(1)*q(1)-q(2)*q(2)-q(3)*q(3)+q(4)*q(4)
+ r12= 2*(q(2)*q(3)-q(1)*q(4))
+ r21= 2*(q(2)*q(3)+q(1)*q(4))
+ r13= 2*(q(2)*q(4)+q(1)*q(3))
+ r31= 2*(q(2)*q(4)-q(1)*q(3))
+ r23= 2*(q(3)*q(4)-q(1)*q(2))
+ r32= 2*(q(3)*q(4)+q(1)*q(2))
+
+c write(*,*) r11, r22, r33, r12, r21, r13, r31, r23, r32
+
+ do i=1,ilosc_atomow2
+ xf(i,1)= r11*xt2(i,1)+r12*xt2(i,2)+r13*xt2(i,3) + t(1)
+ xf(i,2)= r21*xt2(i,1)+r22*xt2(i,2)+r23*xt2(i,3) + t(2)
+ xf(i,3)= r31*xt2(i,1)+r32*xt2(i,2)+r33*xt2(i,3) + t(3)
+c write(*,*) i, xt2(i,1), xt2(i,2), xt2(i,3)
+c write(*,*) i, xf(i,1), xf(i,2), xf(i,3)
+ enddo
+
+ return
+ end
+
projects / unres.git / commitdiff