1 REMARK 1DKZ 1st domain with substrate ENERGY -3.32121E+02
2 SHEET 1 B1 2 VAL 37 THR 40 0
3 SHEET 2 B1 2 ASN 85 LEU 88 1 N ASN 85 O VAL 37
4 SHEET 1 B2 2 ASP 5 THR 7 0
5 SHEET 2 B2 2 THR 28 ILE 30 -1 N ILE 30 O ASP 5
6 SHEET 1 B3 2 LEU 9 LEU 11 0
7 SHEET 2 B3 2 ALA 25 ASN 27 -1 N ASN 27 O LEU 9
8 SHEET 1 B4 2 SER 10 GLU 14 0
9 SHEET 2 B4 2 HIS 51 GLY 55 -1 N GLY 55 O SER 10
10 SHEET 1 B5 2 GLY 12 THR 15 0
11 SHEET 2 B5 2 VAL 19 THR 22 -1 N THR 22 O GLY 12
12 SHEET 1 B6 2 SER 46 HIS 51 0
13 SHEET 2 B6 2 GLN 68 GLY 73 -1 N GLY 73 O SER 46
14 ATOM 1 CA VAL A 1 -1.453 -1.710 -3.275 0.000
15 ATOM 2 CB VAL A 1 -2.904 -1.873 -3.572 0.000
16 ATOM 3 CA LEU A 2 -0.107 -2.245 -6.784 0.000
17 ATOM 4 CB LEU A 2 1.932 -1.838 -6.677 0.000
18 ATOM 5 CA LEU A 3 -3.268 -4.155 -7.656 0.000
19 ATOM 6 CB LEU A 3 -3.198 -5.880 -8.109 0.000
20 ATOM 7 CA LEU A 4 -5.271 -0.916 -7.604 0.000
21 ATOM 8 CB LEU A 4 -5.656 1.061 -7.097 0.000
22 ATOM 9 CA ASP A 5 -7.662 -2.034 -10.362 0.000
23 ATOM 10 CB ASP A 5 -7.037 -3.950 -10.134 0.000
24 ATOM 11 CA VAL A 6 -10.077 0.814 -9.307 0.000
25 ATOM 12 CB VAL A 6 -9.960 2.239 -8.912 0.000
26 ATOM 13 CA THR A 7 -13.459 0.219 -10.944 0.000
27 ATOM 14 CB THR A 7 -14.046 -0.472 -9.773 0.000
28 ATOM 15 CA PRO A 8 -15.282 3.599 -11.068 0.000
29 ATOM 16 CB PRO A 8 -13.959 3.984 -11.417 0.000
30 ATOM 17 CA LEU A 9 -18.745 4.063 -12.558 0.000
31 ATOM 18 CB LEU A 9 -19.601 3.660 -14.415 0.000
32 ATOM 19 CA SER A 10 -20.656 1.052 -11.302 0.000
33 ATOM 20 CB SER A 10 -21.314 0.405 -12.234 0.000
34 ATOM 21 CA LEU A 11 -17.815 -1.126 -12.705 0.000
35 ATOM 22 CB LEU A 11 -16.385 0.030 -13.685 0.000
36 ATOM 23 CA GLY A 12 -19.262 -4.650 -12.963 0.000
37 ATOM 24 CA ILE A 13 -18.391 -8.425 -13.473 0.000
38 ATOM 25 CB ILE A 13 -18.483 -9.591 -11.966 0.000
39 ATOM 26 CA GLU A 14 -19.687 -8.923 -17.105 0.000
40 ATOM 27 CB GLU A 14 -18.340 -10.472 -18.983 0.000
41 ATOM 28 CA THR A 15 -20.450 -12.604 -16.684 0.000
42 ATOM 29 CB THR A 15 -20.554 -12.534 -15.219 0.000
43 ATOM 30 CA MET A 16 -23.404 -14.645 -17.910 0.000
44 ATOM 31 CB MET A 16 -24.566 -16.674 -17.032 0.000
45 ATOM 32 CA GLY A 17 -21.668 -14.295 -21.258 0.000
46 ATOM 33 CA GLY A 18 -22.155 -10.509 -20.998 0.000
47 ATOM 34 CA VAL A 19 -25.091 -10.548 -18.438 0.000
48 ATOM 35 CB VAL A 19 -25.950 -11.732 -18.703 0.000
49 ATOM 36 CA MET A 20 -23.745 -8.842 -15.255 0.000
50 ATOM 37 CB MET A 20 -22.472 -6.734 -15.609 0.000
51 ATOM 38 CA THR A 21 -22.686 -8.793 -11.555 0.000
52 ATOM 39 CB THR A 21 -22.618 -10.148 -10.972 0.000
53 ATOM 40 CA THR A 22 -21.077 -6.212 -9.188 0.000
54 ATOM 41 CB THR A 22 -21.516 -4.876 -8.740 0.000
55 ATOM 42 CA LEU A 23 -17.760 -7.660 -7.965 0.000
56 ATOM 43 CB LEU A 23 -16.625 -9.139 -7.023 0.000
57 ATOM 44 CA ILE A 24 -15.657 -4.736 -9.079 0.000
58 ATOM 45 CB ILE A 24 -15.527 -4.499 -10.963 0.000
59 ATOM 46 CA ALA A 25 -18.036 -2.240 -7.442 0.000
60 ATOM 47 CB ALA A 25 -18.289 -2.455 -6.742 0.000
61 ATOM 48 CA LYS A 26 -19.778 1.149 -7.325 0.000
62 ATOM 49 CB LYS A 26 -22.728 0.437 -7.805 0.000
63 ATOM 50 CA ASN A 27 -16.671 3.274 -6.958 0.000
64 ATOM 51 CB ASN A 27 -15.548 4.883 -7.380 0.000
65 ATOM 52 CA THR A 28 -14.496 0.454 -5.530 0.000
66 ATOM 53 CB THR A 28 -15.474 -0.131 -4.589 0.000
67 ATOM 54 CA THR A 29 -11.322 -1.538 -6.081 0.000
68 ATOM 55 CB THR A 29 -10.022 -1.223 -5.448 0.000
69 ATOM 56 CA ILE A 30 -11.172 -4.710 -8.240 0.000
70 ATOM 57 CB ILE A 30 -11.150 -4.404 -10.140 0.000
71 ATOM 58 CA PRO A 31 -8.842 -5.660 -5.216 0.000
72 ATOM 59 CB PRO A 31 -7.851 -4.814 -5.790 0.000
73 ATOM 60 CA THR A 32 -12.097 -5.207 -3.198 0.000
74 ATOM 61 CB THR A 32 -13.172 -4.531 -3.964 0.000
75 ATOM 62 CA LYS A 33 -13.053 -8.439 -5.081 0.000
76 ATOM 63 CB LYS A 33 -10.875 -8.766 -7.235 0.000
77 ATOM 64 CA HIS A 34 -16.226 -8.899 -2.914 0.000
78 ATOM 65 CB HIS A 34 -17.141 -6.324 -3.062 0.000
79 ATOM 66 CA SER A 35 -18.237 -11.906 -4.123 0.000
80 ATOM 67 CB SER A 35 -18.134 -13.087 -4.686 0.000
81 ATOM 68 CA GLN A 36 -21.198 -11.226 -1.735 0.000
82 ATOM 69 CB GLN A 36 -20.795 -8.511 -2.143 0.000
83 ATOM 70 CA VAL A 37 -22.758 -14.350 -3.187 0.000
84 ATOM 71 CB VAL A 37 -23.605 -15.558 -3.005 0.000
85 ATOM 72 CA PHE A 38 -21.893 -13.501 -6.816 0.000
86 ATOM 73 CB PHE A 38 -21.412 -10.578 -6.429 0.000
87 ATOM 74 CA SER A 39 -22.390 -17.177 -7.720 0.000
88 ATOM 75 CB SER A 39 -23.505 -17.837 -7.527 0.000
89 ATOM 76 CA THR A 40 -21.045 -19.809 -10.081 0.000
90 ATOM 77 CB THR A 40 -20.723 -21.059 -9.363 0.000
91 ATOM 78 CA ALA A 41 -23.574 -20.063 -12.895 0.000
92 ATOM 79 CB ALA A 41 -23.498 -19.324 -13.132 0.000
93 ATOM 80 CA GLU A 42 -23.421 -23.316 -14.816 0.000
94 ATOM 81 CB GLU A 42 -23.169 -22.004 -16.482 0.000
95 ATOM 82 CA ASP A 43 -24.155 -26.995 -14.326 0.000
96 ATOM 83 CB ASP A 43 -25.390 -28.601 -14.445 0.000
97 ATOM 84 CA ASN A 44 -21.288 -27.257 -11.865 0.000
98 ATOM 85 CB ASN A 44 -19.958 -28.582 -12.574 0.000
99 ATOM 86 CA GLN A 45 -19.028 -24.534 -13.403 0.000
100 ATOM 87 CB GLN A 45 -19.696 -21.842 -13.289 0.000
101 ATOM 88 CA SER A 46 -17.011 -23.508 -10.334 0.000
102 ATOM 89 CB SER A 46 -16.822 -23.597 -9.041 0.000
103 ATOM 90 CA ALA A 47 -14.161 -22.148 -12.477 0.000
104 ATOM 91 CB ALA A 47 -14.222 -22.407 -13.206 0.000
105 ATOM 92 CA VAL A 48 -16.358 -19.032 -12.966 0.000
106 ATOM 93 CB VAL A 48 -16.826 -18.904 -11.565 0.000
107 ATOM 94 CA SER A 49 -14.833 -17.081 -15.949 0.000
108 ATOM 95 CB SER A 49 -15.138 -17.536 -17.139 0.000
109 ATOM 96 CA ILE A 50 -16.196 -13.533 -16.524 0.000
110 ATOM 97 CB ILE A 50 -16.393 -13.508 -14.896 0.000
111 ATOM 98 CA HIS A 51 -15.259 -10.067 -17.944 0.000
112 ATOM 99 CB HIS A 51 -14.140 -8.537 -19.915 0.000
113 ATOM 100 CA VAL A 52 -14.566 -7.213 -15.436 0.000
114 ATOM 101 CB VAL A 52 -13.101 -7.162 -15.152 0.000
115 ATOM 102 CA LEU A 53 -16.880 -4.450 -16.967 0.000
116 ATOM 103 CB LEU A 53 -18.061 -5.511 -18.314 0.000
117 ATOM 104 CA GLN A 54 -17.660 -0.720 -17.313 0.000
118 ATOM 105 CB GLN A 54 -17.092 1.929 -17.917 0.000
119 ATOM 106 CA GLY A 55 -21.381 -0.616 -16.418 0.000
120 ATOM 107 CA GLU A 56 -23.697 -2.941 -14.427 0.000
121 ATOM 108 CB GLU A 56 -24.024 -3.885 -12.551 0.000
122 ATOM 109 CA ARG A 57 -26.365 -4.272 -16.832 0.000
123 ATOM 110 CB ARG A 57 -24.498 -2.067 -18.680 0.000
124 ATOM 111 CA LYS A 58 -27.970 -7.094 -18.812 0.000
125 ATOM 112 CB LYS A 58 -28.763 -8.962 -17.025 0.000
126 ATOM 113 CA ARG A 59 -26.085 -6.142 -21.980 0.000
127 ATOM 114 CB ARG A 59 -27.098 -4.531 -24.830 0.000
128 ATOM 115 CA ALA A 60 -22.946 -5.294 -19.961 0.000
129 ATOM 116 CB ALA A 60 -22.942 -6.026 -19.693 0.000
130 ATOM 117 CA ALA A 61 -21.096 -6.516 -23.015 0.000
131 ATOM 118 CB ALA A 61 -20.822 -7.204 -23.250 0.000
132 ATOM 119 CA ASP A 62 -22.413 -3.298 -24.631 0.000
133 ATOM 120 CB ASP A 62 -23.736 -2.987 -23.122 0.000
134 ATOM 121 CA ASN A 63 -20.130 -1.329 -22.308 0.000
135 ATOM 122 CB ASN A 63 -20.501 -2.163 -20.519 0.000
136 ATOM 123 CA LYS A 64 -16.399 -1.126 -21.591 0.000
137 ATOM 124 CB LYS A 64 -14.327 0.039 -20.297 0.000
138 ATOM 125 CA SER A 65 -15.504 -4.847 -21.005 0.000
139 ATOM 126 CB SER A 65 -15.876 -5.228 -22.203 0.000
140 ATOM 127 CA LEU A 66 -12.126 -4.616 -19.183 0.000
141 ATOM 128 CB LEU A 66 -12.711 -3.350 -17.630 0.000
142 ATOM 129 CA GLY A 67 -10.371 -7.975 -18.688 0.000
143 ATOM 130 CA GLN A 68 -11.098 -11.227 -16.806 0.000
144 ATOM 131 CB GLN A 68 -11.795 -13.905 -17.010 0.000
145 ATOM 132 CA PHE A 69 -12.783 -12.134 -13.477 0.000
146 ATOM 133 CB PHE A 69 -13.267 -9.980 -11.459 0.000
147 ATOM 134 CA ASN A 70 -11.735 -15.827 -13.363 0.000
148 ATOM 135 CB ASN A 70 -10.770 -17.575 -13.517 0.000
149 ATOM 136 CA LEU A 71 -13.694 -16.622 -10.146 0.000
150 ATOM 137 CB LEU A 71 -14.731 -15.230 -8.982 0.000
151 ATOM 138 CA ASP A 72 -12.151 -20.050 -9.315 0.000
152 ATOM 139 CB ASP A 72 -10.253 -19.574 -9.845 0.000
153 ATOM 140 CA GLY A 73 -14.470 -20.732 -6.339 0.000
154 ATOM 141 CA ILE A 74 -18.265 -20.688 -5.620 0.000
155 ATOM 142 CB ILE A 74 -19.069 -18.955 -5.565 0.000
156 ATOM 143 CA ASN A 75 -20.642 -23.661 -5.571 0.000
157 ATOM 144 CB ASN A 75 -20.174 -24.194 -3.695 0.000
158 ATOM 145 CA PRO A 76 -22.944 -24.799 -8.392 0.000
159 ATOM 146 CB PRO A 76 -22.699 -25.996 -7.666 0.000
160 ATOM 147 CA ALA A 77 -26.095 -22.868 -9.184 0.000
161 ATOM 148 CB ALA A 77 -25.839 -22.134 -9.095 0.000
162 ATOM 149 CA PRO A 78 -28.813 -22.490 -11.812 0.000
163 ATOM 150 CB PRO A 78 -29.557 -23.176 -10.813 0.000
164 ATOM 151 CA ARG A 79 -27.722 -18.929 -12.407 0.000
165 ATOM 152 CB ARG A 79 -28.049 -16.171 -14.385 0.000
166 ATOM 153 CA GLY A 80 -27.848 -18.193 -8.638 0.000
167 ATOM 154 CA MET A 81 -26.917 -19.675 -5.247 0.000
168 ATOM 155 CB MET A 81 -28.120 -21.363 -5.688 0.000
169 ATOM 156 CA PRO A 82 -23.544 -20.636 -3.689 0.000
170 ATOM 157 CB PRO A 82 -23.406 -21.224 -4.976 0.000
171 ATOM 158 CA GLN A 83 -20.719 -18.825 -1.892 0.000
172 ATOM 159 CB GLN A 83 -19.546 -16.326 -1.595 0.000
174 ATOM 160 CA ASN B 1 -27.604 -13.231 -5.657 0.000
175 ATOM 161 CB ASN B 1 -29.388 -12.377 -5.991 0.000
176 ATOM 162 CA ARG B 2 -25.919 -12.951 -9.077 0.000
177 ATOM 163 CB ARG B 2 -26.217 -10.466 -11.431 0.000
178 ATOM 164 CA LEU B 3 -24.068 -15.184 -11.618 0.000
179 ATOM 165 CB LEU B 3 -24.504 -13.935 -13.223 0.000
180 ATOM 166 CA LEU B 4 -20.316 -15.681 -12.429 0.000
181 ATOM 167 CB LEU B 4 -19.867 -15.354 -10.418 0.000
182 ATOM 168 CA LEU B 5 -20.397 -17.985 -15.523 0.000
183 ATOM 169 CB LEU B 5 -19.741 -16.763 -17.079 0.000
184 ATOM 170 CA THR B 6 -18.507 -20.799 -17.405 0.000
185 ATOM 171 CB THR B 6 -19.135 -22.129 -17.204 0.000
186 ATOM 172 CA GLY B 7 -17.462 -18.963 -20.609 0.000
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