1 HEADER CELL CYCLE 23-FEB-00 1EI0
2 TITLE NMR STRUCTURE OF THE ALPHA-HELICAL HAIRPIN OF P8MTCP1
4 COMPND 2 MOLECULE: P8MTCP1;
6 COMPND 4 FRAGMENT: ALPHA-HELICAL HAIRPIN MOTIF OF P8MTCP1;
7 COMPND 5 SYNONYM: MATURE T-CELL PROLIFERATION-1 TYPE A;
8 COMPND 6 ENGINEERED: YES
10 SOURCE 2 SYNTHETIC: YES;
11 SOURCE 3 OTHER_DETAILS: THE SEQUENCE IS FOUND NATURALLY IN HOMO
12 SOURCE 4 SAPIENS (HUMANS).
13 KEYWDS HELIX-TURN-HELIX, DISULFIDE BRIDGES
14 EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
15 AUTHOR P.BARTHE,S.ROCHETTE,C.VITA,C.ROUMESTAND
16 REVDAT 1 23-FEB-01 1EI0 0
17 JRNL AUTH P.BARTHE,S.ROCHETTE,C.VITA,C.ROUMESTAND
18 JRNL TITL SYNTHESIS AND NMR SOLUTION STRUCTURE OF AN
19 JRNL TITL 2 ALPHA-HELICAL HAIRPIN STAPLED WITH TWO DISULFIDE
21 JRNL REF PROTEIN SCI. V. 9 942 2000
22 JRNL REFN ASTM PRCIEI US ISSN 0961-8368
25 REMARK 2 RESOLUTION. NOT APPLICABLE.
28 REMARK 3 PROGRAM : AMBER 4.1
29 REMARK 3 AUTHORS : PEARLMAN
31 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A
32 REMARK 3 TOTAL OF 322 RESTRAINTS, 285 ARE NOE-DERIVED DISTANCE
33 REMARK 3 CONSTRAINTS, 29 DIHEDRAL ANGLE RESTRAINTS, NO DISTANCE
34 REMARK 3 RESTRAINTS FROM HYDROGEN BONDS.
36 REMARK 4 1EI0 COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998
38 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-FEB-2000.
39 REMARK 100 THE RCSB ID CODE IS RCSB010592.
41 REMARK 210 EXPERIMENTAL DETAILS
42 REMARK 210 EXPERIMENT TYPE : NMR
43 REMARK 210 TEMPERATURE (KELVIN) : 293.00
45 REMARK 210 IONIC STRENGTH : 0
46 REMARK 210 PRESSURE : AMBIENT
47 REMARK 210 SAMPLE CONTENTS : 2MM ALPHA2-P8
49 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY
50 REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
51 REMARK 210 SPECTROMETER MODEL : AMX
52 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
54 REMARK 210 STRUCTURE DETERMINATION.
55 REMARK 210 SOFTWARE USED : UXNMR 94, GIFA 4.2,
57 REMARK 210 METHOD USED : DISTANCE GEOMETRY,
58 REMARK 210 MOLECULAR DYNAMICS
60 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
61 REMARK 210 CONFORMERS, NUMBER SUBMITTED : NULL
62 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
64 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
66 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D
67 REMARK 210 HOMONUCLEAR TECHNIQUES.
70 REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
71 REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
72 REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
73 REMARK 215 THESE RECORDS ARE MEANINGLESS.
75 REMARK 900 RELATED ENTRIES
76 REMARK 900 RELATED ID: 1HP8 RELATED DB: PDB
77 REMARK 900 AVERAGE NMR STRUCTURE OF P8MTCP1
78 REMARK 900 RELATED ID: 2HP8 RELATED DB: PDB
79 REMARK 900 30 BEST NMR STRUCTURES OF P8MTCP1
82 REMARK 999 THE 4 MUTATIONS ARE DUE TO SYNTHESIS PROCEDURES.
83 DBREF 1EI0 A 1 38 SWS P56277 MTC1_HUMAN 5 42
84 SEQADV 1EI0 ALA A 8 SWS P56277 CYS 12 SEE REMARK 999
85 SEQADV 1EI0 LEU A 20 SWS P56277 MET 24 SEE REMARK 999
86 SEQADV 1EI0 LYS A 32 SWS P56277 ARG 36 SEE REMARK 999
87 SEQADV 1EI0 ALA A 35 SWS P56277 CYS 39 SEE REMARK 999
88 SEQRES 1 A 38 ASP PRO CYS GLN LYS GLN ALA ALA GLU ILE GLN LYS CYS
89 SEQRES 2 A 38 LEU GLN ALA ASN SER TYR LEU GLU SER LYS CYS GLN ALA
90 SEQRES 3 A 38 VAL ILE GLN GLU LEU LYS LYS CYS ALA ALA GLN TYR
91 HELIX 1 1 CYS A 3 ASN A 17 1 15
92 HELIX 2 2 LEU A 20 LYS A 23 5 4
93 HELIX 3 3 CYS A 24 TYR A 38 1 15
94 SSBOND 1 CYS A 3 CYS A 34
95 SSBOND 2 CYS A 13 CYS A 24
96 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
97 ORIGX1 1.000000 0.000000 0.000000 0.00000
98 ORIGX2 0.000000 1.000000 0.000000 0.00000
99 ORIGX3 0.000000 0.000000 1.000000 0.00000
100 SCALE1 1.000000 0.000000 0.000000 0.00000
101 SCALE2 0.000000 1.000000 0.000000 0.00000
102 SCALE3 0.000000 0.000000 1.000000 0.00000
103 ATOM 1 N ASP A 1 6.608 13.604 0.992 1.00 0.00 N
104 ATOM 2 CA ASP A 1 5.940 13.464 -0.292 1.00 0.00 C
105 ATOM 3 C ASP A 1 4.484 13.008 -0.040 1.00 0.00 C
106 ATOM 4 O ASP A 1 4.148 12.816 1.128 1.00 0.00 O
107 ATOM 5 CB ASP A 1 6.784 12.556 -1.212 1.00 0.00 C
108 ATOM 6 CG ASP A 1 6.704 11.044 -0.956 1.00 0.00 C
109 ATOM 7 OD1 ASP A 1 7.788 10.412 -0.976 1.00 0.00 O
110 ATOM 8 OD2 ASP A 1 5.580 10.500 -0.848 1.00 0.00 O
111 ATOM 9 H ASP A 1 5.952 13.416 1.748 1.00 0.00 H
112 ATOM 10 HA ASP A 1 5.904 14.456 -0.740 1.00 0.00 H
113 ATOM 11 1HB ASP A 1 6.508 12.732 -2.248 1.00 0.00 H
114 ATOM 12 2HB ASP A 1 7.828 12.864 -1.124 1.00 0.00 H
115 ATOM 13 N PRO A 2 3.620 12.868 -1.072 1.00 0.00 N
116 ATOM 14 CA PRO A 2 2.256 12.356 -0.936 1.00 0.00 C
117 ATOM 15 C PRO A 2 2.176 11.032 -0.164 1.00 0.00 C
118 ATOM 16 O PRO A 2 1.832 11.036 1.016 1.00 0.00 O
119 ATOM 17 CB PRO A 2 1.692 12.280 -2.372 1.00 0.00 C
120 ATOM 18 CG PRO A 2 2.504 13.328 -3.120 1.00 0.00 C
121 ATOM 19 CD PRO A 2 3.876 13.212 -2.460 1.00 0.00 C
122 ATOM 20 HA PRO A 2 1.636 13.076 -0.400 1.00 0.00 H
123 ATOM 21 1HB PRO A 2 1.876 11.308 -2.832 1.00 0.00 H
124 ATOM 22 2HB PRO A 2 0.628 12.504 -2.396 1.00 0.00 H
125 ATOM 23 1HG PRO A 2 2.552 13.116 -4.188 1.00 0.00 H
126 ATOM 24 2HG PRO A 2 2.092 14.320 -2.940 1.00 0.00 H
127 ATOM 25 1HD PRO A 2 4.428 12.396 -2.936 1.00 0.00 H
128 ATOM 26 2HD PRO A 2 4.420 14.148 -2.556 1.00 0.00 H
129 ATOM 27 N CYS A 3 2.452 9.896 -0.824 1.00 0.00 N
130 ATOM 28 CA CYS A 3 2.116 8.568 -0.308 1.00 0.00 C
131 ATOM 29 C CYS A 3 3.120 7.480 -0.708 1.00 0.00 C
132 ATOM 30 O CYS A 3 2.744 6.308 -0.804 1.00 0.00 O
133 ATOM 31 CB CYS A 3 0.708 8.204 -0.792 1.00 0.00 C
134 ATOM 32 SG CYS A 3 -0.540 9.516 -0.716 1.00 0.00 S
135 ATOM 33 H CYS A 3 2.764 9.964 -1.780 1.00 0.00 H
136 ATOM 34 HA CYS A 3 2.088 8.600 0.776 1.00 0.00 H
137 ATOM 35 1HB CYS A 3 0.772 7.856 -1.820 1.00 0.00 H
138 ATOM 36 2HB CYS A 3 0.360 7.384 -0.160 1.00 0.00 H
139 ATOM 37 N GLN A 4 4.380 7.832 -0.980 1.00 0.00 N
140 ATOM 38 CA GLN A 4 5.376 6.840 -1.396 1.00 0.00 C
141 ATOM 39 C GLN A 4 5.576 5.760 -0.316 1.00 0.00 C
142 ATOM 40 O GLN A 4 5.764 4.596 -0.664 1.00 0.00 O
143 ATOM 41 CB GLN A 4 6.696 7.536 -1.748 1.00 0.00 C
144 ATOM 42 CG GLN A 4 7.684 6.600 -2.460 1.00 0.00 C
145 ATOM 43 CD GLN A 4 9.016 7.252 -2.856 1.00 0.00 C
146 ATOM 44 OE1 GLN A 4 9.844 6.612 -3.492 1.00 0.00 O
147 ATOM 45 NE2 GLN A 4 9.280 8.508 -2.508 1.00 0.00 N
148 ATOM 46 H GLN A 4 4.668 8.804 -0.892 1.00 0.00 H
149 ATOM 47 HA GLN A 4 5.000 6.352 -2.296 1.00 0.00 H
150 ATOM 48 1HB GLN A 4 6.480 8.376 -2.412 1.00 0.00 H
151 ATOM 49 2HB GLN A 4 7.152 7.908 -0.828 1.00 0.00 H
152 ATOM 50 1HG GLN A 4 7.908 5.752 -1.816 1.00 0.00 H
153 ATOM 51 2HG GLN A 4 7.212 6.220 -3.368 1.00 0.00 H
154 ATOM 52 1HE2 GLN A 4 10.176 8.864 -2.796 1.00 0.00 H
155 ATOM 53 2HE2 GLN A 4 8.648 9.088 -1.956 1.00 0.00 H
156 ATOM 54 N LYS A 5 5.472 6.116 0.972 1.00 0.00 N
157 ATOM 55 CA LYS A 5 5.468 5.148 2.068 1.00 0.00 C
158 ATOM 56 C LYS A 5 4.340 4.148 1.888 1.00 0.00 C
159 ATOM 57 O LYS A 5 4.592 2.952 1.932 1.00 0.00 O
160 ATOM 58 CB LYS A 5 5.344 5.836 3.436 1.00 0.00 C
161 ATOM 59 CG LYS A 5 6.712 6.016 4.116 1.00 0.00 C
162 ATOM 60 CD LYS A 5 7.036 7.480 4.420 1.00 0.00 C
163 ATOM 61 CE LYS A 5 6.264 8.016 5.628 1.00 0.00 C
164 ATOM 62 NZ LYS A 5 5.060 8.772 5.236 1.00 0.00 N
165 ATOM 63 H LYS A 5 5.300 7.088 1.184 1.00 0.00 H
166 ATOM 64 HA LYS A 5 6.392 4.568 2.020 1.00 0.00 H
167 ATOM 65 1HB LYS A 5 4.828 6.792 3.320 1.00 0.00 H
168 ATOM 66 2HB LYS A 5 4.732 5.220 4.096 1.00 0.00 H
169 ATOM 67 1HG LYS A 5 6.728 5.440 5.044 1.00 0.00 H
170 ATOM 68 2HG LYS A 5 7.504 5.624 3.484 1.00 0.00 H
171 ATOM 69 1HD LYS A 5 8.100 7.536 4.652 1.00 0.00 H
172 ATOM 70 2HD LYS A 5 6.836 8.080 3.532 1.00 0.00 H
173 ATOM 71 1HE LYS A 5 5.980 7.184 6.276 1.00 0.00 H
174 ATOM 72 2HE LYS A 5 6.920 8.680 6.192 1.00 0.00 H
175 ATOM 73 1HZ LYS A 5 5.328 9.560 4.668 1.00 0.00 H
176 ATOM 74 2HZ LYS A 5 4.436 8.176 4.712 1.00 0.00 H
177 ATOM 75 3HZ LYS A 5 4.584 9.104 6.060 1.00 0.00 H
178 ATOM 76 N GLN A 6 3.112 4.620 1.676 1.00 0.00 N
179 ATOM 77 CA GLN A 6 1.976 3.744 1.448 1.00 0.00 C
180 ATOM 78 C GLN A 6 2.232 2.868 0.228 1.00 0.00 C
181 ATOM 79 O GLN A 6 2.004 1.672 0.316 1.00 0.00 O
182 ATOM 80 CB GLN A 6 0.648 4.496 1.272 1.00 0.00 C
183 ATOM 81 CG GLN A 6 0.144 5.176 2.552 1.00 0.00 C
184 ATOM 82 CD GLN A 6 0.724 6.564 2.820 1.00 0.00 C
185 ATOM 83 OE1 GLN A 6 1.836 6.904 2.432 1.00 0.00 O
186 ATOM 84 NE2 GLN A 6 -0.040 7.404 3.500 1.00 0.00 N
187 ATOM 85 H GLN A 6 2.964 5.628 1.700 1.00 0.00 H
188 ATOM 86 HA GLN A 6 1.880 3.080 2.308 1.00 0.00 H
189 ATOM 87 1HB GLN A 6 0.712 5.208 0.452 1.00 0.00 H
190 ATOM 88 2HB GLN A 6 -0.100 3.752 1.000 1.00 0.00 H
191 ATOM 89 1HG GLN A 6 -0.936 5.280 2.440 1.00 0.00 H
192 ATOM 90 2HG GLN A 6 0.328 4.532 3.412 1.00 0.00 H
193 ATOM 91 1HE2 GLN A 6 0.276 8.356 3.596 1.00 0.00 H
194 ATOM 92 2HE2 GLN A 6 -0.944 7.088 3.848 1.00 0.00 H
195 ATOM 93 N ALA A 7 2.728 3.428 -0.880 1.00 0.00 N
196 ATOM 94 CA ALA A 7 3.024 2.640 -2.080 1.00 0.00 C
197 ATOM 95 C ALA A 7 4.036 1.528 -1.768 1.00 0.00 C
198 ATOM 96 O ALA A 7 3.820 0.372 -2.136 1.00 0.00 O
199 ATOM 97 CB ALA A 7 3.520 3.560 -3.200 1.00 0.00 C
200 ATOM 98 H ALA A 7 2.908 4.432 -0.872 1.00 0.00 H
201 ATOM 99 HA ALA A 7 2.100 2.168 -2.412 1.00 0.00 H
202 ATOM 100 1HB ALA A 7 2.776 4.332 -3.400 1.00 0.00 H
203 ATOM 101 2HB ALA A 7 4.464 4.028 -2.920 1.00 0.00 H
204 ATOM 102 3HB ALA A 7 3.672 2.972 -4.108 1.00 0.00 H
205 ATOM 103 N ALA A 8 5.116 1.868 -1.056 1.00 0.00 N
206 ATOM 104 CA ALA A 8 6.124 0.916 -0.612 1.00 0.00 C
207 ATOM 105 C ALA A 8 5.520 -0.128 0.328 1.00 0.00 C
208 ATOM 106 O ALA A 8 5.764 -1.316 0.148 1.00 0.00 O
209 ATOM 107 CB ALA A 8 7.288 1.656 0.052 1.00 0.00 C
210 ATOM 108 H ALA A 8 5.236 2.848 -0.800 1.00 0.00 H
211 ATOM 109 HA ALA A 8 6.508 0.396 -1.492 1.00 0.00 H
212 ATOM 110 1HB ALA A 8 7.720 2.372 -0.648 1.00 0.00 H
213 ATOM 111 2HB ALA A 8 6.944 2.188 0.940 1.00 0.00 H
214 ATOM 112 3HB ALA A 8 8.056 0.940 0.344 1.00 0.00 H
215 ATOM 113 N GLU A 9 4.720 0.280 1.316 1.00 0.00 N
216 ATOM 114 CA GLU A 9 4.080 -0.620 2.264 1.00 0.00 C
217 ATOM 115 C GLU A 9 3.008 -1.488 1.600 1.00 0.00 C
218 ATOM 116 O GLU A 9 2.816 -2.620 2.020 1.00 0.00 O
219 ATOM 117 CB GLU A 9 3.504 0.164 3.452 1.00 0.00 C
220 ATOM 118 CG GLU A 9 4.616 0.676 4.376 1.00 0.00 C
221 ATOM 119 CD GLU A 9 4.052 1.464 5.552 1.00 0.00 C
222 ATOM 120 OE1 GLU A 9 4.304 2.688 5.600 1.00 0.00 O
223 ATOM 121 OE2 GLU A 9 3.380 0.828 6.392 1.00 0.00 O
224 ATOM 122 H GLU A 9 4.584 1.280 1.432 1.00 0.00 H
225 ATOM 123 HA GLU A 9 4.836 -1.300 2.656 1.00 0.00 H
226 ATOM 124 1HB GLU A 9 2.900 0.996 3.088 1.00 0.00 H
227 ATOM 125 2HB GLU A 9 2.856 -0.500 4.028 1.00 0.00 H
228 ATOM 126 1HG GLU A 9 5.184 -0.172 4.756 1.00 0.00 H
229 ATOM 127 2HG GLU A 9 5.304 1.308 3.816 1.00 0.00 H
230 ATOM 128 N ILE A 10 2.344 -1.000 0.544 1.00 0.00 N
231 ATOM 129 CA ILE A 10 1.428 -1.776 -0.288 1.00 0.00 C
232 ATOM 130 C ILE A 10 2.224 -2.868 -0.996 1.00 0.00 C
233 ATOM 131 O ILE A 10 1.828 -4.032 -0.920 1.00 0.00 O
234 ATOM 132 CB ILE A 10 0.636 -0.856 -1.240 1.00 0.00 C
235 ATOM 133 CG1 ILE A 10 -0.444 -0.184 -0.376 1.00 0.00 C
236 ATOM 134 CG2 ILE A 10 -0.036 -1.612 -2.400 1.00 0.00 C
237 ATOM 135 CD1 ILE A 10 -0.980 1.100 -0.968 1.00 0.00 C
238 ATOM 136 H ILE A 10 2.488 -0.024 0.300 1.00 0.00 H
239 ATOM 137 HA ILE A 10 0.684 -2.232 0.368 1.00 0.00 H
240 ATOM 138 HB ILE A 10 1.304 -0.100 -1.656 1.00 0.00 H
241 ATOM 139 1HG1 ILE A 10 -1.268 -0.876 -0.216 1.00 0.00 H
242 ATOM 140 2HG1 ILE A 10 -0.032 0.080 0.596 1.00 0.00 H
243 ATOM 141 1HG2 ILE A 10 0.720 -2.056 -3.048 1.00 0.00 H
244 ATOM 142 2HG2 ILE A 10 -0.688 -2.396 -2.016 1.00 0.00 H
245 ATOM 143 3HG2 ILE A 10 -0.624 -0.924 -3.008 1.00 0.00 H
246 ATOM 144 1HD1 ILE A 10 -0.184 1.836 -1.064 1.00 0.00 H
247 ATOM 145 2HD1 ILE A 10 -1.440 0.896 -1.928 1.00 0.00 H
248 ATOM 146 3HD1 ILE A 10 -1.724 1.484 -0.276 1.00 0.00 H
249 ATOM 147 N GLN A 11 3.356 -2.520 -1.628 1.00 0.00 N
250 ATOM 148 CA GLN A 11 4.272 -3.504 -2.212 1.00 0.00 C
251 ATOM 149 C GLN A 11 4.692 -4.524 -1.152 1.00 0.00 C
252 ATOM 150 O GLN A 11 4.560 -5.720 -1.376 1.00 0.00 O
253 ATOM 151 CB GLN A 11 5.528 -2.844 -2.820 1.00 0.00 C
254 ATOM 152 CG GLN A 11 5.340 -2.256 -4.228 1.00 0.00 C
255 ATOM 153 CD GLN A 11 5.100 -3.304 -5.316 1.00 0.00 C
256 ATOM 154 OE1 GLN A 11 5.012 -4.504 -5.072 1.00 0.00 O
257 ATOM 155 NE2 GLN A 11 4.996 -2.872 -6.564 1.00 0.00 N
258 ATOM 156 H GLN A 11 3.616 -1.536 -1.644 1.00 0.00 H
259 ATOM 157 HA GLN A 11 3.740 -4.048 -2.988 1.00 0.00 H
260 ATOM 158 1HB GLN A 11 5.876 -2.044 -2.172 1.00 0.00 H
261 ATOM 159 2HB GLN A 11 6.328 -3.584 -2.872 1.00 0.00 H
262 ATOM 160 1HG GLN A 11 4.516 -1.544 -4.212 1.00 0.00 H
263 ATOM 161 2HG GLN A 11 6.252 -1.716 -4.480 1.00 0.00 H
264 ATOM 162 1HE2 GLN A 11 4.848 -3.568 -7.276 1.00 0.00 H
265 ATOM 163 2HE2 GLN A 11 5.072 -1.892 -6.788 1.00 0.00 H
266 ATOM 164 N LYS A 12 5.172 -4.052 0.008 1.00 0.00 N
267 ATOM 165 CA LYS A 12 5.644 -4.872 1.120 1.00 0.00 C
268 ATOM 166 C LYS A 12 4.552 -5.840 1.572 1.00 0.00 C
269 ATOM 167 O LYS A 12 4.792 -7.040 1.700 1.00 0.00 O
270 ATOM 168 CB LYS A 12 6.084 -3.948 2.272 1.00 0.00 C
271 ATOM 169 CG LYS A 12 7.404 -4.352 2.924 1.00 0.00 C
272 ATOM 170 CD LYS A 12 7.824 -3.244 3.908 1.00 0.00 C
273 ATOM 171 CE LYS A 12 9.056 -3.612 4.736 1.00 0.00 C
274 ATOM 172 NZ LYS A 12 10.248 -3.828 3.896 1.00 0.00 N
275 ATOM 173 H LYS A 12 5.240 -3.040 0.100 1.00 0.00 H
276 ATOM 174 HA LYS A 12 6.496 -5.456 0.772 1.00 0.00 H
277 ATOM 175 1HB LYS A 12 6.216 -2.940 1.896 1.00 0.00 H
278 ATOM 176 2HB LYS A 12 5.304 -3.904 3.036 1.00 0.00 H
279 ATOM 177 1HG LYS A 12 7.284 -5.300 3.452 1.00 0.00 H
280 ATOM 178 2HG LYS A 12 8.168 -4.460 2.152 1.00 0.00 H
281 ATOM 179 1HD LYS A 12 8.028 -2.324 3.352 1.00 0.00 H
282 ATOM 180 2HD LYS A 12 7.000 -3.048 4.596 1.00 0.00 H
283 ATOM 181 1HE LYS A 12 9.260 -2.800 5.432 1.00 0.00 H
284 ATOM 182 2HE LYS A 12 8.844 -4.516 5.300 1.00 0.00 H
285 ATOM 183 1HZ LYS A 12 10.084 -4.600 3.264 1.00 0.00 H
286 ATOM 184 2HZ LYS A 12 10.444 -2.996 3.360 1.00 0.00 H
287 ATOM 185 3HZ LYS A 12 11.044 -4.040 4.484 1.00 0.00 H
288 ATOM 186 N CYS A 13 3.348 -5.304 1.784 1.00 0.00 N
289 ATOM 187 CA CYS A 13 2.176 -6.060 2.172 1.00 0.00 C
290 ATOM 188 C CYS A 13 1.888 -7.116 1.116 1.00 0.00 C
291 ATOM 189 O CYS A 13 1.744 -8.284 1.468 1.00 0.00 O
292 ATOM 190 CB CYS A 13 0.988 -5.120 2.408 1.00 0.00 C
293 ATOM 191 SG CYS A 13 -0.512 -5.964 2.968 1.00 0.00 S
294 ATOM 192 H CYS A 13 3.240 -4.300 1.652 1.00 0.00 H
295 ATOM 193 HA CYS A 13 2.392 -6.564 3.112 1.00 0.00 H
296 ATOM 194 1HB CYS A 13 1.272 -4.400 3.180 1.00 0.00 H
297 ATOM 195 2HB CYS A 13 0.764 -4.568 1.496 1.00 0.00 H
298 ATOM 196 N LEU A 14 1.804 -6.736 -0.164 1.00 0.00 N
299 ATOM 197 CA LEU A 14 1.508 -7.684 -1.228 1.00 0.00 C
300 ATOM 198 C LEU A 14 2.568 -8.768 -1.280 1.00 0.00 C
301 ATOM 199 O LEU A 14 2.216 -9.940 -1.320 1.00 0.00 O
302 ATOM 200 CB LEU A 14 1.356 -7.016 -2.608 1.00 0.00 C
303 ATOM 201 CG LEU A 14 -0.132 -6.892 -2.988 1.00 0.00 C
304 ATOM 202 CD1 LEU A 14 -0.720 -5.640 -2.328 1.00 0.00 C
305 ATOM 203 CD2 LEU A 14 -0.348 -6.736 -4.500 1.00 0.00 C
306 ATOM 204 H LEU A 14 1.940 -5.748 -0.392 1.00 0.00 H
307 ATOM 205 HA LEU A 14 0.572 -8.184 -0.960 1.00 0.00 H
308 ATOM 206 1HB LEU A 14 1.852 -6.044 -2.636 1.00 0.00 H
309 ATOM 207 2HB LEU A 14 1.840 -7.648 -3.344 1.00 0.00 H
310 ATOM 208 HG LEU A 14 -0.636 -7.808 -2.644 1.00 0.00 H
311 ATOM 209 1HD1 LEU A 14 -0.504 -5.652 -1.264 1.00 0.00 H
312 ATOM 210 2HD1 LEU A 14 -0.252 -4.748 -2.748 1.00 0.00 H
313 ATOM 211 3HD1 LEU A 14 -1.788 -5.584 -2.496 1.00 0.00 H
314 ATOM 212 1HD2 LEU A 14 0.236 -5.896 -4.880 1.00 0.00 H
315 ATOM 213 2HD2 LEU A 14 -0.064 -7.636 -5.028 1.00 0.00 H
316 ATOM 214 3HD2 LEU A 14 -1.400 -6.560 -4.708 1.00 0.00 H
317 ATOM 215 N GLN A 15 3.844 -8.396 -1.236 1.00 0.00 N
318 ATOM 216 CA GLN A 15 4.976 -9.316 -1.200 1.00 0.00 C
319 ATOM 217 C GLN A 15 4.804 -10.344 -0.080 1.00 0.00 C
320 ATOM 218 O GLN A 15 4.968 -11.536 -0.328 1.00 0.00 O
321 ATOM 219 CB GLN A 15 6.284 -8.524 -1.020 1.00 0.00 C
322 ATOM 220 CG GLN A 15 7.000 -8.232 -2.348 1.00 0.00 C
323 ATOM 221 CD GLN A 15 8.108 -9.240 -2.676 1.00 0.00 C
324 ATOM 222 OE1 GLN A 15 9.164 -8.868 -3.172 1.00 0.00 O
325 ATOM 223 NE2 GLN A 15 7.924 -10.528 -2.396 1.00 0.00 N
326 ATOM 224 H GLN A 15 4.016 -7.396 -1.188 1.00 0.00 H
327 ATOM 225 HA GLN A 15 4.984 -9.864 -2.148 1.00 0.00 H
328 ATOM 226 1HB GLN A 15 6.076 -7.584 -0.520 1.00 0.00 H
329 ATOM 227 2HB GLN A 15 6.964 -9.068 -0.364 1.00 0.00 H
330 ATOM 228 1HG GLN A 15 6.284 -8.192 -3.168 1.00 0.00 H
331 ATOM 229 2HG GLN A 15 7.460 -7.244 -2.272 1.00 0.00 H
332 ATOM 230 1HE2 GLN A 15 8.704 -11.136 -2.588 1.00 0.00 H
333 ATOM 231 2HE2 GLN A 15 7.084 -10.872 -1.956 1.00 0.00 H
334 ATOM 232 N ALA A 16 4.452 -9.880 1.124 1.00 0.00 N
335 ATOM 233 CA ALA A 16 4.224 -10.736 2.288 1.00 0.00 C
336 ATOM 234 C ALA A 16 2.944 -11.588 2.184 1.00 0.00 C
337 ATOM 235 O ALA A 16 2.772 -12.512 2.972 1.00 0.00 O
338 ATOM 236 CB ALA A 16 4.192 -9.864 3.544 1.00 0.00 C
339 ATOM 237 H ALA A 16 4.356 -8.868 1.232 1.00 0.00 H
340 ATOM 238 HA ALA A 16 5.068 -11.424 2.372 1.00 0.00 H
341 ATOM 239 1HB ALA A 16 5.116 -9.292 3.624 1.00 0.00 H
342 ATOM 240 2HB ALA A 16 3.348 -9.176 3.500 1.00 0.00 H
343 ATOM 241 3HB ALA A 16 4.088 -10.496 4.424 1.00 0.00 H
344 ATOM 242 N ASN A 17 2.056 -11.292 1.232 1.00 0.00 N
345 ATOM 243 CA ASN A 17 0.748 -11.912 1.028 1.00 0.00 C
346 ATOM 244 C ASN A 17 0.640 -12.476 -0.400 1.00 0.00 C
347 ATOM 245 O ASN A 17 -0.464 -12.644 -0.916 1.00 0.00 O
348 ATOM 246 CB ASN A 17 -0.344 -10.896 1.376 1.00 0.00 C
349 ATOM 247 CG ASN A 17 -0.380 -10.620 2.880 1.00 0.00 C
350 ATOM 248 OD1 ASN A 17 -0.896 -11.408 3.660 1.00 0.00 O
351 ATOM 249 ND2 ASN A 17 0.172 -9.508 3.328 1.00 0.00 N
352 ATOM 250 H ASN A 17 2.236 -10.504 0.620 1.00 0.00 H
353 ATOM 251 HA ASN A 17 0.604 -12.752 1.712 1.00 0.00 H
354 ATOM 252 1HB ASN A 17 -0.200 -9.972 0.812 1.00 0.00 H
355 ATOM 253 2HB ASN A 17 -1.300 -11.308 1.088 1.00 0.00 H
356 ATOM 254 1HD2 ASN A 17 0.144 -9.320 4.316 1.00 0.00 H
357 ATOM 255 2HD2 ASN A 17 0.688 -8.916 2.672 1.00 0.00 H
358 ATOM 256 N SER A 18 1.772 -12.768 -1.056 1.00 0.00 N
359 ATOM 257 CA SER A 18 1.852 -13.408 -2.372 1.00 0.00 C
360 ATOM 258 C SER A 18 1.068 -12.652 -3.460 1.00 0.00 C
361 ATOM 259 O SER A 18 0.488 -13.272 -4.348 1.00 0.00 O
362 ATOM 260 CB SER A 18 1.436 -14.880 -2.252 1.00 0.00 C
363 ATOM 261 OG SER A 18 2.204 -15.536 -1.264 1.00 0.00 O
364 ATOM 262 H SER A 18 2.648 -12.536 -0.612 1.00 0.00 H
365 ATOM 263 HA SER A 18 2.896 -13.392 -2.672 1.00 0.00 H
366 ATOM 264 1HB SER A 18 0.376 -14.944 -1.992 1.00 0.00 H
367 ATOM 265 2HB SER A 18 1.588 -15.380 -3.212 1.00 0.00 H
368 ATOM 266 HG SER A 18 1.868 -16.428 -1.152 1.00 0.00 H
369 ATOM 267 N TYR A 19 1.052 -11.316 -3.392 1.00 0.00 N
370 ATOM 268 CA TYR A 19 0.328 -10.408 -4.276 1.00 0.00 C
371 ATOM 269 C TYR A 19 -1.200 -10.536 -4.152 1.00 0.00 C
372 ATOM 270 O TYR A 19 -1.928 -10.016 -5.000 1.00 0.00 O
373 ATOM 271 CB TYR A 19 0.872 -10.452 -5.720 1.00 0.00 C
374 ATOM 272 CG TYR A 19 2.356 -10.128 -5.836 1.00 0.00 C
375 ATOM 273 CD1 TYR A 19 2.804 -8.804 -5.648 1.00 0.00 C
376 ATOM 274 CD2 TYR A 19 3.292 -11.140 -6.116 1.00 0.00 C
377 ATOM 275 CE1 TYR A 19 4.172 -8.500 -5.680 1.00 0.00 C
378 ATOM 276 CE2 TYR A 19 4.668 -10.840 -6.184 1.00 0.00 C
379 ATOM 277 CZ TYR A 19 5.116 -9.516 -5.944 1.00 0.00 C
380 ATOM 278 OH TYR A 19 6.440 -9.208 -5.976 1.00 0.00 O
381 ATOM 279 H TYR A 19 1.516 -10.860 -2.604 1.00 0.00 H
382 ATOM 280 HA TYR A 19 0.560 -9.416 -3.904 1.00 0.00 H
383 ATOM 281 1HB TYR A 19 0.676 -11.436 -6.156 1.00 0.00 H
384 ATOM 282 2HB TYR A 19 0.324 -9.728 -6.324 1.00 0.00 H
385 ATOM 283 HD1 TYR A 19 2.100 -8.008 -5.484 1.00 0.00 H
386 ATOM 284 HD2 TYR A 19 2.956 -12.156 -6.284 1.00 0.00 H
387 ATOM 285 HE1 TYR A 19 4.508 -7.484 -5.508 1.00 0.00 H
388 ATOM 286 HE2 TYR A 19 5.368 -11.628 -6.412 1.00 0.00 H
389 ATOM 287 HH TYR A 19 7.012 -9.944 -6.204 1.00 0.00 H
390 ATOM 288 N LEU A 20 -1.704 -11.152 -3.072 1.00 0.00 N
391 ATOM 289 CA LEU A 20 -3.132 -11.176 -2.772 1.00 0.00 C
392 ATOM 290 C LEU A 20 -3.532 -9.820 -2.220 1.00 0.00 C
393 ATOM 291 O LEU A 20 -3.556 -9.568 -1.016 1.00 0.00 O
394 ATOM 292 CB LEU A 20 -3.544 -12.272 -1.792 1.00 0.00 C
395 ATOM 293 CG LEU A 20 -3.484 -13.692 -2.380 1.00 0.00 C
396 ATOM 294 CD1 LEU A 20 -3.624 -14.716 -1.244 1.00 0.00 C
397 ATOM 295 CD2 LEU A 20 -4.600 -13.932 -3.408 1.00 0.00 C
398 ATOM 296 H LEU A 20 -1.064 -11.472 -2.356 1.00 0.00 H
399 ATOM 297 HA LEU A 20 -3.676 -11.340 -3.700 1.00 0.00 H
400 ATOM 298 1HB LEU A 20 -2.920 -12.196 -0.904 1.00 0.00 H
401 ATOM 299 2HB LEU A 20 -4.572 -12.056 -1.500 1.00 0.00 H
402 ATOM 300 HG LEU A 20 -2.520 -13.832 -2.868 1.00 0.00 H
403 ATOM 301 1HD1 LEU A 20 -2.800 -14.600 -0.540 1.00 0.00 H
404 ATOM 302 2HD1 LEU A 20 -4.568 -14.568 -0.720 1.00 0.00 H
405 ATOM 303 3HD1 LEU A 20 -3.592 -15.728 -1.652 1.00 0.00 H
406 ATOM 304 1HD2 LEU A 20 -5.576 -13.728 -2.964 1.00 0.00 H
407 ATOM 305 2HD2 LEU A 20 -4.460 -13.292 -4.276 1.00 0.00 H
408 ATOM 306 3HD2 LEU A 20 -4.572 -14.968 -3.748 1.00 0.00 H
409 ATOM 307 N GLU A 21 -3.876 -8.964 -3.168 1.00 0.00 N
410 ATOM 308 CA GLU A 21 -4.308 -7.596 -2.984 1.00 0.00 C
411 ATOM 309 C GLU A 21 -5.356 -7.468 -1.876 1.00 0.00 C
412 ATOM 310 O GLU A 21 -5.304 -6.524 -1.092 1.00 0.00 O
413 ATOM 311 CB GLU A 21 -4.844 -7.076 -4.324 1.00 0.00 C
414 ATOM 312 CG GLU A 21 -4.616 -5.576 -4.408 1.00 0.00 C
415 ATOM 313 CD GLU A 21 -5.504 -4.924 -5.460 1.00 0.00 C
416 ATOM 314 OE1 GLU A 21 -6.536 -4.348 -5.040 1.00 0.00 O
417 ATOM 315 OE2 GLU A 21 -5.152 -5.012 -6.656 1.00 0.00 O
418 ATOM 316 H GLU A 21 -3.620 -9.276 -4.096 1.00 0.00 H
419 ATOM 317 HA GLU A 21 -3.432 -7.020 -2.692 1.00 0.00 H
420 ATOM 318 1HB GLU A 21 -4.320 -7.548 -5.156 1.00 0.00 H
421 ATOM 319 2HB GLU A 21 -5.908 -7.304 -4.408 1.00 0.00 H
422 ATOM 320 1HG GLU A 21 -4.828 -5.132 -3.436 1.00 0.00 H
423 ATOM 321 2HG GLU A 21 -3.564 -5.416 -4.640 1.00 0.00 H
424 ATOM 322 N SER A 22 -6.268 -8.440 -1.764 1.00 0.00 N
425 ATOM 323 CA SER A 22 -7.320 -8.504 -0.760 1.00 0.00 C
426 ATOM 324 C SER A 22 -6.796 -8.404 0.676 1.00 0.00 C
427 ATOM 325 O SER A 22 -7.504 -7.872 1.532 1.00 0.00 O
428 ATOM 326 CB SER A 22 -8.092 -9.820 -0.948 1.00 0.00 C
429 ATOM 327 OG SER A 22 -8.300 -10.088 -2.324 1.00 0.00 O
430 ATOM 328 H SER A 22 -6.304 -9.180 -2.456 1.00 0.00 H
431 ATOM 329 HA SER A 22 -8.004 -7.676 -0.940 1.00 0.00 H
432 ATOM 330 1HB SER A 22 -7.520 -10.640 -0.512 1.00 0.00 H
433 ATOM 331 2HB SER A 22 -9.056 -9.748 -0.440 1.00 0.00 H
434 ATOM 332 HG SER A 22 -8.876 -10.856 -2.408 1.00 0.00 H
435 ATOM 333 N LYS A 23 -5.560 -8.844 0.952 1.00 0.00 N
436 ATOM 334 CA LYS A 23 -4.976 -8.772 2.300 1.00 0.00 C
437 ATOM 335 C LYS A 23 -4.380 -7.388 2.584 1.00 0.00 C
438 ATOM 336 O LYS A 23 -4.052 -7.072 3.724 1.00 0.00 O
439 ATOM 337 CB LYS A 23 -3.888 -9.848 2.468 1.00 0.00 C
440 ATOM 338 CG LYS A 23 -4.404 -11.272 2.176 1.00 0.00 C
441 ATOM 339 CD LYS A 23 -3.812 -12.344 3.096 1.00 0.00 C
442 ATOM 340 CE LYS A 23 -4.688 -13.596 3.092 1.00 0.00 C
443 ATOM 341 NZ LYS A 23 -4.052 -14.688 3.844 1.00 0.00 N
444 ATOM 342 H LYS A 23 -4.972 -9.216 0.204 1.00 0.00 H
445 ATOM 343 HA LYS A 23 -5.760 -8.952 3.036 1.00 0.00 H
446 ATOM 344 1HB LYS A 23 -3.052 -9.628 1.804 1.00 0.00 H
447 ATOM 345 2HB LYS A 23 -3.524 -9.792 3.496 1.00 0.00 H
448 ATOM 346 1HG LYS A 23 -5.488 -11.288 2.288 1.00 0.00 H
449 ATOM 347 2HG LYS A 23 -4.140 -11.536 1.148 1.00 0.00 H
450 ATOM 348 1HD LYS A 23 -2.824 -12.608 2.732 1.00 0.00 H
451 ATOM 349 2HD LYS A 23 -3.740 -11.968 4.116 1.00 0.00 H
452 ATOM 350 1HE LYS A 23 -5.652 -13.352 3.548 1.00 0.00 H
453 ATOM 351 2HE LYS A 23 -4.856 -13.912 2.060 1.00 0.00 H
454 ATOM 352 1HZ LYS A 23 -3.180 -14.940 3.400 1.00 0.00 H
455 ATOM 353 2HZ LYS A 23 -3.864 -14.384 4.788 1.00 0.00 H
456 ATOM 354 3HZ LYS A 23 -4.664 -15.492 3.864 1.00 0.00 H
457 ATOM 355 N CYS A 24 -4.264 -6.556 1.548 1.00 0.00 N
458 ATOM 356 CA CYS A 24 -3.564 -5.276 1.528 1.00 0.00 C
459 ATOM 357 C CYS A 24 -4.492 -4.148 1.072 1.00 0.00 C
460 ATOM 358 O CYS A 24 -4.092 -2.988 1.044 1.00 0.00 O
461 ATOM 359 CB CYS A 24 -2.344 -5.456 0.632 1.00 0.00 C
462 ATOM 360 SG CYS A 24 -1.260 -6.764 1.256 1.00 0.00 S
463 ATOM 361 H CYS A 24 -4.576 -6.888 0.640 1.00 0.00 H
464 ATOM 362 HA CYS A 24 -3.204 -5.016 2.528 1.00 0.00 H
465 ATOM 363 1HB CYS A 24 -2.664 -5.740 -0.376 1.00 0.00 H
466 ATOM 364 2HB CYS A 24 -1.792 -4.520 0.580 1.00 0.00 H
467 ATOM 365 N GLN A 25 -5.760 -4.464 0.788 1.00 0.00 N
468 ATOM 366 CA GLN A 25 -6.788 -3.504 0.456 1.00 0.00 C
469 ATOM 367 C GLN A 25 -6.972 -2.468 1.556 1.00 0.00 C
470 ATOM 368 O GLN A 25 -7.136 -1.300 1.228 1.00 0.00 O
471 ATOM 369 CB GLN A 25 -8.088 -4.240 0.084 1.00 0.00 C
472 ATOM 370 CG GLN A 25 -8.228 -4.312 -1.448 1.00 0.00 C
473 ATOM 371 CD GLN A 25 -8.488 -2.936 -2.076 1.00 0.00 C
474 ATOM 372 OE1 GLN A 25 -9.036 -2.040 -1.444 1.00 0.00 O
475 ATOM 373 NE2 GLN A 25 -8.076 -2.728 -3.320 1.00 0.00 N
476 ATOM 374 H GLN A 25 -5.996 -5.448 0.720 1.00 0.00 H
477 ATOM 375 HA GLN A 25 -6.444 -2.952 -0.412 1.00 0.00 H
478 ATOM 376 1HB GLN A 25 -8.084 -5.248 0.496 1.00 0.00 H
479 ATOM 377 2HB GLN A 25 -8.952 -3.716 0.500 1.00 0.00 H
480 ATOM 378 1HG GLN A 25 -7.312 -4.736 -1.868 1.00 0.00 H
481 ATOM 379 2HG GLN A 25 -9.064 -4.972 -1.696 1.00 0.00 H
482 ATOM 380 1HE2 GLN A 25 -8.264 -1.824 -3.720 1.00 0.00 H
483 ATOM 381 2HE2 GLN A 25 -7.592 -3.440 -3.872 1.00 0.00 H
484 ATOM 382 N ALA A 26 -6.828 -2.832 2.836 1.00 0.00 N
485 ATOM 383 CA ALA A 26 -6.820 -1.872 3.944 1.00 0.00 C
486 ATOM 384 C ALA A 26 -5.688 -0.840 3.820 1.00 0.00 C
487 ATOM 385 O ALA A 26 -5.844 0.304 4.248 1.00 0.00 O
488 ATOM 386 CB ALA A 26 -6.700 -2.636 5.264 1.00 0.00 C
489 ATOM 387 H ALA A 26 -6.680 -3.812 3.044 1.00 0.00 H
490 ATOM 388 HA ALA A 26 -7.768 -1.336 3.940 1.00 0.00 H
491 ATOM 389 1HB ALA A 26 -7.532 -3.332 5.368 1.00 0.00 H
492 ATOM 390 2HB ALA A 26 -5.760 -3.184 5.300 1.00 0.00 H
493 ATOM 391 3HB ALA A 26 -6.728 -1.928 6.092 1.00 0.00 H
494 ATOM 392 N VAL A 27 -4.564 -1.208 3.196 1.00 0.00 N
495 ATOM 393 CA VAL A 27 -3.412 -0.336 2.996 1.00 0.00 C
496 ATOM 394 C VAL A 27 -3.676 0.532 1.756 1.00 0.00 C
497 ATOM 395 O VAL A 27 -3.348 1.720 1.756 1.00 0.00 O
498 ATOM 396 CB VAL A 27 -2.120 -1.184 2.840 1.00 0.00 C
499 ATOM 397 CG1 VAL A 27 -0.884 -0.344 3.172 1.00 0.00 C
500 ATOM 398 CG2 VAL A 27 -2.032 -2.432 3.736 1.00 0.00 C
501 ATOM 399 H VAL A 27 -4.512 -2.128 2.768 1.00 0.00 H
502 ATOM 400 HA VAL A 27 -3.312 0.308 3.872 1.00 0.00 H
503 ATOM 401 HB VAL A 27 -2.044 -1.520 1.808 1.00 0.00 H
504 ATOM 402 1HG1 VAL A 27 -0.892 0.580 2.604 1.00 0.00 H
505 ATOM 403 2HG1 VAL A 27 -0.872 -0.112 4.236 1.00 0.00 H
506 ATOM 404 3HG1 VAL A 27 0.004 -0.924 2.920 1.00 0.00 H
507 ATOM 405 1HG2 VAL A 27 -2.068 -2.148 4.788 1.00 0.00 H
508 ATOM 406 2HG2 VAL A 27 -2.848 -3.116 3.528 1.00 0.00 H
509 ATOM 407 3HG2 VAL A 27 -1.092 -2.948 3.524 1.00 0.00 H
510 ATOM 408 N ILE A 28 -4.336 -0.016 0.732 1.00 0.00 N
511 ATOM 409 CA ILE A 28 -4.800 0.704 -0.456 1.00 0.00 C
512 ATOM 410 C ILE A 28 -5.888 1.716 -0.080 1.00 0.00 C
513 ATOM 411 O ILE A 28 -5.880 2.812 -0.636 1.00 0.00 O
514 ATOM 412 CB ILE A 28 -5.248 -0.300 -1.544 1.00 0.00 C
515 ATOM 413 CG1 ILE A 28 -4.056 -1.180 -1.984 1.00 0.00 C
516 ATOM 414 CG2 ILE A 28 -5.848 0.416 -2.768 1.00 0.00 C
517 ATOM 415 CD1 ILE A 28 -4.480 -2.460 -2.700 1.00 0.00 C
518 ATOM 416 H ILE A 28 -4.544 -1.008 0.796 1.00 0.00 H
519 ATOM 417 HA ILE A 28 -3.980 1.300 -0.848 1.00 0.00 H
520 ATOM 418 HB ILE A 28 -6.024 -0.936 -1.120 1.00 0.00 H
521 ATOM 419 1HG1 ILE A 28 -3.392 -0.608 -2.636 1.00 0.00 H
522 ATOM 420 2HG1 ILE A 28 -3.480 -1.504 -1.120 1.00 0.00 H
523 ATOM 421 1HG2 ILE A 28 -6.752 0.948 -2.476 1.00 0.00 H
524 ATOM 422 2HG2 ILE A 28 -5.132 1.124 -3.180 1.00 0.00 H
525 ATOM 423 3HG2 ILE A 28 -6.128 -0.304 -3.536 1.00 0.00 H
526 ATOM 424 1HD1 ILE A 28 -5.120 -3.044 -2.044 1.00 0.00 H
527 ATOM 425 2HD1 ILE A 28 -5.016 -2.232 -3.620 1.00 0.00 H
528 ATOM 426 3HD1 ILE A 28 -3.592 -3.044 -2.944 1.00 0.00 H
529 ATOM 427 N GLN A 29 -6.776 1.412 0.872 1.00 0.00 N
530 ATOM 428 CA GLN A 29 -7.688 2.408 1.432 1.00 0.00 C
531 ATOM 429 C GLN A 29 -6.884 3.576 2.008 1.00 0.00 C
532 ATOM 430 O GLN A 29 -7.212 4.736 1.752 1.00 0.00 O
533 ATOM 431 CB GLN A 29 -8.596 1.816 2.528 1.00 0.00 C
534 ATOM 432 CG GLN A 29 -9.584 0.708 2.124 1.00 0.00 C
535 ATOM 433 CD GLN A 29 -10.328 0.996 0.824 1.00 0.00 C
536 ATOM 434 OE1 GLN A 29 -11.044 1.984 0.720 1.00 0.00 O
537 ATOM 435 NE2 GLN A 29 -10.200 0.156 -0.196 1.00 0.00 N
538 ATOM 436 H GLN A 29 -6.820 0.448 1.196 1.00 0.00 H
539 ATOM 437 HA GLN A 29 -8.316 2.796 0.624 1.00 0.00 H
540 ATOM 438 1HB GLN A 29 -7.984 1.452 3.352 1.00 0.00 H
541 ATOM 439 2HB GLN A 29 -9.184 2.644 2.916 1.00 0.00 H
542 ATOM 440 1HG GLN A 29 -9.072 -0.240 2.064 1.00 0.00 H
543 ATOM 441 2HG GLN A 29 -10.320 0.612 2.924 1.00 0.00 H
544 ATOM 442 1HE2 GLN A 29 -10.756 0.360 -1.008 1.00 0.00 H
545 ATOM 443 2HE2 GLN A 29 -9.604 -0.672 -0.224 1.00 0.00 H
546 ATOM 444 N GLU A 30 -5.812 3.280 2.756 1.00 0.00 N
547 ATOM 445 CA GLU A 30 -4.920 4.288 3.324 1.00 0.00 C
548 ATOM 446 C GLU A 30 -4.296 5.132 2.208 1.00 0.00 C
549 ATOM 447 O GLU A 30 -4.360 6.356 2.272 1.00 0.00 O
550 ATOM 448 CB GLU A 30 -3.864 3.616 4.232 1.00 0.00 C
551 ATOM 449 CG GLU A 30 -3.656 4.324 5.580 1.00 0.00 C
552 ATOM 450 CD GLU A 30 -2.808 5.604 5.560 1.00 0.00 C
553 ATOM 451 OE1 GLU A 30 -2.648 6.180 6.660 1.00 0.00 O
554 ATOM 452 OE2 GLU A 30 -2.308 5.996 4.484 1.00 0.00 O
555 ATOM 453 H GLU A 30 -5.596 2.304 2.920 1.00 0.00 H
556 ATOM 454 HA GLU A 30 -5.536 4.948 3.932 1.00 0.00 H
557 ATOM 455 1HB GLU A 30 -4.204 2.604 4.468 1.00 0.00 H
558 ATOM 456 2HB GLU A 30 -2.912 3.520 3.712 1.00 0.00 H
559 ATOM 457 1HG GLU A 30 -4.628 4.548 6.016 1.00 0.00 H
560 ATOM 458 2HG GLU A 30 -3.160 3.616 6.248 1.00 0.00 H
561 ATOM 459 N LEU A 31 -3.756 4.500 1.156 1.00 0.00 N
562 ATOM 460 CA LEU A 31 -3.228 5.192 -0.024 1.00 0.00 C
563 ATOM 461 C LEU A 31 -4.296 6.052 -0.700 1.00 0.00 C
564 ATOM 462 O LEU A 31 -4.008 7.192 -1.056 1.00 0.00 O
565 ATOM 463 CB LEU A 31 -2.660 4.168 -1.020 1.00 0.00 C
566 ATOM 464 CG LEU A 31 -2.172 4.736 -2.376 1.00 0.00 C
567 ATOM 465 CD1 LEU A 31 -0.820 5.424 -2.216 1.00 0.00 C
568 ATOM 466 CD2 LEU A 31 -2.056 3.632 -3.432 1.00 0.00 C
569 ATOM 467 H LEU A 31 -3.720 3.480 1.192 1.00 0.00 H
570 ATOM 468 HA LEU A 31 -2.436 5.868 0.324 1.00 0.00 H
571 ATOM 469 1HB LEU A 31 -1.828 3.656 -0.540 1.00 0.00 H
572 ATOM 470 2HB LEU A 31 -3.436 3.436 -1.228 1.00 0.00 H
573 ATOM 471 HG LEU A 31 -2.888 5.460 -2.756 1.00 0.00 H
574 ATOM 472 1HD1 LEU A 31 -0.920 6.212 -1.476 1.00 0.00 H
575 ATOM 473 2HD1 LEU A 31 -0.060 4.712 -1.896 1.00 0.00 H
576 ATOM 474 3HD1 LEU A 31 -0.516 5.872 -3.164 1.00 0.00 H
577 ATOM 475 1HD2 LEU A 31 -1.300 2.904 -3.148 1.00 0.00 H
578 ATOM 476 2HD2 LEU A 31 -3.016 3.132 -3.556 1.00 0.00 H
579 ATOM 477 3HD2 LEU A 31 -1.776 4.076 -4.392 1.00 0.00 H
580 ATOM 478 N LYS A 32 -5.520 5.544 -0.896 1.00 0.00 N
581 ATOM 479 CA LYS A 32 -6.600 6.356 -1.468 1.00 0.00 C
582 ATOM 480 C LYS A 32 -6.880 7.576 -0.596 1.00 0.00 C
583 ATOM 481 O LYS A 32 -6.972 8.688 -1.116 1.00 0.00 O
584 ATOM 482 CB LYS A 32 -7.876 5.528 -1.668 1.00 0.00 C
585 ATOM 483 CG LYS A 32 -7.832 4.752 -2.988 1.00 0.00 C
586 ATOM 484 CD LYS A 32 -9.172 4.056 -3.276 1.00 0.00 C
587 ATOM 485 CE LYS A 32 -8.936 2.620 -3.744 1.00 0.00 C
588 ATOM 486 NZ LYS A 32 -10.164 2.020 -4.288 1.00 0.00 N
589 ATOM 487 H LYS A 32 -5.684 4.568 -0.648 1.00 0.00 H
590 ATOM 488 HA LYS A 32 -6.268 6.736 -2.436 1.00 0.00 H
591 ATOM 489 1HB LYS A 32 -8.016 4.840 -0.836 1.00 0.00 H
592 ATOM 490 2HB LYS A 32 -8.732 6.208 -1.700 1.00 0.00 H
593 ATOM 491 1HG LYS A 32 -7.624 5.444 -3.808 1.00 0.00 H
594 ATOM 492 2HG LYS A 32 -7.020 4.020 -2.944 1.00 0.00 H
595 ATOM 493 1HD LYS A 32 -9.792 4.032 -2.380 1.00 0.00 H
596 ATOM 494 2HD LYS A 32 -9.700 4.616 -4.052 1.00 0.00 H
597 ATOM 495 1HE LYS A 32 -8.164 2.616 -4.516 1.00 0.00 H
598 ATOM 496 2HE LYS A 32 -8.588 2.032 -2.896 1.00 0.00 H
599 ATOM 497 1HZ LYS A 32 -10.900 2.056 -3.592 1.00 0.00 H
600 ATOM 498 2HZ LYS A 32 -10.460 2.532 -5.108 1.00 0.00 H
601 ATOM 499 3HZ LYS A 32 -9.988 1.056 -4.544 1.00 0.00 H
602 ATOM 500 N LYS A 33 -7.000 7.388 0.720 1.00 0.00 N
603 ATOM 501 CA LYS A 33 -7.268 8.492 1.636 1.00 0.00 C
604 ATOM 502 C LYS A 33 -6.104 9.488 1.628 1.00 0.00 C
605 ATOM 503 O LYS A 33 -6.312 10.696 1.580 1.00 0.00 O
606 ATOM 504 CB LYS A 33 -7.568 7.936 3.036 1.00 0.00 C
607 ATOM 505 CG LYS A 33 -8.536 8.860 3.792 1.00 0.00 C
608 ATOM 506 CD LYS A 33 -9.024 8.244 5.108 1.00 0.00 C
609 ATOM 507 CE LYS A 33 -7.916 8.044 6.152 1.00 0.00 C
610 ATOM 508 NZ LYS A 33 -7.272 9.312 6.528 1.00 0.00 N
611 ATOM 509 H LYS A 33 -6.896 6.440 1.088 1.00 0.00 H
612 ATOM 510 HA LYS A 33 -8.152 9.012 1.264 1.00 0.00 H
613 ATOM 511 1HB LYS A 33 -8.048 6.960 2.944 1.00 0.00 H
614 ATOM 512 2HB LYS A 33 -6.644 7.808 3.600 1.00 0.00 H
615 ATOM 513 1HG LYS A 33 -8.060 9.824 3.980 1.00 0.00 H
616 ATOM 514 2HG LYS A 33 -9.412 9.032 3.168 1.00 0.00 H
617 ATOM 515 1HD LYS A 33 -9.792 8.888 5.536 1.00 0.00 H
618 ATOM 516 2HD LYS A 33 -9.484 7.276 4.904 1.00 0.00 H
619 ATOM 517 1HE LYS A 33 -8.360 7.592 7.040 1.00 0.00 H
620 ATOM 518 2HE LYS A 33 -7.164 7.356 5.752 1.00 0.00 H
621 ATOM 519 1HZ LYS A 33 -6.784 9.712 5.736 1.00 0.00 H
622 ATOM 520 2HZ LYS A 33 -7.972 9.972 6.844 1.00 0.00 H
623 ATOM 521 3HZ LYS A 33 -6.608 9.156 7.272 1.00 0.00 H
624 ATOM 522 N CYS A 34 -4.872 8.972 1.580 1.00 0.00 N
625 ATOM 523 CA CYS A 34 -3.648 9.736 1.432 1.00 0.00 C
626 ATOM 524 C CYS A 34 -3.684 10.588 0.160 1.00 0.00 C
627 ATOM 525 O CYS A 34 -3.404 11.784 0.208 1.00 0.00 O
628 ATOM 526 CB CYS A 34 -2.472 8.764 1.372 1.00 0.00 C
629 ATOM 527 SG CYS A 34 -0.904 9.632 1.276 1.00 0.00 S
630 ATOM 528 H CYS A 34 -4.780 7.960 1.648 1.00 0.00 H
631 ATOM 529 HA CYS A 34 -3.532 10.388 2.296 1.00 0.00 H
632 ATOM 530 1HB CYS A 34 -2.496 8.068 2.204 1.00 0.00 H
633 ATOM 531 2HB CYS A 34 -2.548 8.152 0.476 1.00 0.00 H
634 ATOM 532 N ALA A 35 -4.020 9.964 -0.972 1.00 0.00 N
635 ATOM 533 CA ALA A 35 -4.116 10.628 -2.264 1.00 0.00 C
636 ATOM 534 C ALA A 35 -5.172 11.732 -2.220 1.00 0.00 C
637 ATOM 535 O ALA A 35 -4.916 12.840 -2.696 1.00 0.00 O
638 ATOM 536 CB ALA A 35 -4.416 9.600 -3.360 1.00 0.00 C
639 ATOM 537 H ALA A 35 -4.168 8.960 -0.924 1.00 0.00 H
640 ATOM 538 HA ALA A 35 -3.148 11.084 -2.476 1.00 0.00 H
641 ATOM 539 1HB ALA A 35 -3.636 8.840 -3.380 1.00 0.00 H
642 ATOM 540 2HB ALA A 35 -5.380 9.124 -3.176 1.00 0.00 H
643 ATOM 541 3HB ALA A 35 -4.448 10.100 -4.328 1.00 0.00 H
644 ATOM 542 N ALA A 36 -6.336 11.448 -1.620 1.00 0.00 N
645 ATOM 543 CA ALA A 36 -7.408 12.424 -1.432 1.00 0.00 C
646 ATOM 544 C ALA A 36 -6.964 13.612 -0.568 1.00 0.00 C
647 ATOM 545 O ALA A 36 -7.444 14.724 -0.796 1.00 0.00 O
648 ATOM 546 CB ALA A 36 -8.632 11.732 -0.824 1.00 0.00 C
649 ATOM 547 H ALA A 36 -6.488 10.496 -1.292 1.00 0.00 H
650 ATOM 548 HA ALA A 36 -7.688 12.808 -2.412 1.00 0.00 H
651 ATOM 549 1HB ALA A 36 -8.948 10.904 -1.456 1.00 0.00 H
652 ATOM 550 2HB ALA A 36 -8.400 11.356 0.172 1.00 0.00 H
653 ATOM 551 3HB ALA A 36 -9.448 12.452 -0.744 1.00 0.00 H
654 ATOM 552 N GLN A 37 -6.056 13.404 0.396 1.00 0.00 N
655 ATOM 553 CA GLN A 37 -5.424 14.488 1.140 1.00 0.00 C
656 ATOM 554 C GLN A 37 -4.424 15.236 0.252 1.00 0.00 C
657 ATOM 555 O GLN A 37 -4.592 16.428 0.008 1.00 0.00 O
658 ATOM 556 CB GLN A 37 -4.720 13.956 2.396 1.00 0.00 C
659 ATOM 557 CG GLN A 37 -5.656 13.464 3.512 1.00 0.00 C
660 ATOM 558 CD GLN A 37 -4.892 12.712 4.604 1.00 0.00 C
661 ATOM 559 OE1 GLN A 37 -5.416 11.800 5.228 1.00 0.00 O
662 ATOM 560 NE2 GLN A 37 -3.640 13.080 4.860 1.00 0.00 N
663 ATOM 561 H GLN A 37 -5.764 12.452 0.580 1.00 0.00 H
664 ATOM 562 HA GLN A 37 -6.184 15.200 1.444 1.00 0.00 H
665 ATOM 563 1HB GLN A 37 -4.064 13.136 2.120 1.00 0.00 H
666 ATOM 564 2HB GLN A 37 -4.104 14.760 2.800 1.00 0.00 H
667 ATOM 565 1HG GLN A 37 -6.172 14.316 3.952 1.00 0.00 H
668 ATOM 566 2HG GLN A 37 -6.404 12.792 3.088 1.00 0.00 H
669 ATOM 567 1HE2 GLN A 37 -3.144 12.588 5.580 1.00 0.00 H
670 ATOM 568 2HE2 GLN A 37 -3.208 13.812 4.316 1.00 0.00 H
671 ATOM 569 N TYR A 38 -3.352 14.560 -0.188 1.00 0.00 N
672 ATOM 570 CA TYR A 38 -2.284 15.172 -0.956 1.00 0.00 C
673 ATOM 571 C TYR A 38 -2.708 15.184 -2.424 1.00 0.00 C
674 ATOM 572 O TYR A 38 -1.928 15.548 -3.304 1.00 0.00 O
675 ATOM 573 CB TYR A 38 -0.972 14.392 -0.740 1.00 0.00 C
676 ATOM 574 CG TYR A 38 -0.316 14.600 0.616 1.00 0.00 C
677 ATOM 575 CD1 TYR A 38 0.920 15.276 0.704 1.00 0.00 C
678 ATOM 576 CD2 TYR A 38 -0.900 14.076 1.788 1.00 0.00 C
679 ATOM 577 CE1 TYR A 38 1.568 15.416 1.944 1.00 0.00 C
680 ATOM 578 CE2 TYR A 38 -0.280 14.244 3.036 1.00 0.00 C
681 ATOM 579 CZ TYR A 38 0.964 14.908 3.120 1.00 0.00 C
682 ATOM 580 OH TYR A 38 1.592 15.064 4.320 1.00 0.00 O
683 ATOM 581 H TYR A 38 -3.252 13.568 0.020 1.00 0.00 H
684 ATOM 582 HA TYR A 38 -2.140 16.192 -0.608 1.00 0.00 H
685 ATOM 583 1HB TYR A 38 -1.160 13.328 -0.880 1.00 0.00 H
686 ATOM 584 2HB TYR A 38 -0.268 14.700 -1.508 1.00 0.00 H
687 ATOM 585 HD1 TYR A 38 1.396 15.660 -0.184 1.00 0.00 H
688 ATOM 586 HD2 TYR A 38 -1.824 13.524 1.728 1.00 0.00 H
689 ATOM 587 HE1 TYR A 38 2.532 15.900 2.004 1.00 0.00 H
690 ATOM 588 HE2 TYR A 38 -0.744 13.840 3.920 1.00 0.00 H
691 ATOM 589 HH TYR A 38 1.136 14.636 5.044 1.00 0.00 H
697 MASTER 59 0 0 3 0 0 0 6 589 1 4 3
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