USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 950 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 35 THR OG1 : rot 98:sc= -0.224! USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00914 X(o=-0.0091,f=-0.26) USER MOD Single : A 19 TYR OH : rot 22:sc= 0.409 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.735 K(o=0.74,f=-0.11) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -58:sc= -1.58! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.089 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.184 F(o=-1.4,f=-0.18) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.778 K(o=-0.78,f=-2.1!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -155:sc= 0 (180deg=-1.08) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.12) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 11 3.609 7.800 -3.725 1.00 0.33 N ATOM 118 CA PHE A 11 2.842 6.881 -4.558 1.00 1.34 C ATOM 119 C PHE A 11 3.249 7.007 -6.023 1.00 24.41 C ATOM 120 O PHE A 11 2.417 6.888 -6.923 1.00 65.23 O ATOM 121 CB PHE A 11 1.344 7.153 -4.409 1.00 33.43 C ATOM 122 CG PHE A 11 0.804 6.802 -3.052 1.00 2.44 C ATOM 123 CD1 PHE A 11 0.913 7.694 -1.997 1.00 11.42 C ATOM 124 CD2 PHE A 11 0.187 5.582 -2.830 1.00 71.31 C ATOM 125 CE1 PHE A 11 0.418 7.376 -0.746 1.00 54.32 C ATOM 126 CE2 PHE A 11 -0.312 5.258 -1.582 1.00 5.30 C ATOM 127 CZ PHE A 11 -0.195 6.156 -0.538 1.00 50.14 C ATOM 0 HA PHE A 11 3.055 5.865 -4.225 1.00 1.34 H new ATOM 0 HB2 PHE A 11 1.153 8.208 -4.606 1.00 33.43 H new ATOM 0 HB3 PHE A 11 0.802 6.585 -5.165 1.00 33.43 H new ATOM 0 HD1 PHE A 11 1.391 8.650 -2.154 1.00 11.42 H new ATOM 0 HD2 PHE A 11 0.095 4.875 -3.641 1.00 71.31 H new ATOM 0 HE1 PHE A 11 0.511 8.080 0.067 1.00 54.32 H new ATOM 0 HE2 PHE A 11 -0.793 4.304 -1.423 1.00 5.30 H new ATOM 0 HZ PHE A 11 -0.582 5.904 0.438 1.00 50.14 H new ATOM 137 N THR A 12 4.536 7.247 -6.255 1.00 4.35 N ATOM 138 CA THR A 12 5.054 7.391 -7.610 1.00 4.45 C ATOM 139 C THR A 12 5.520 6.051 -8.165 1.00 20.22 C ATOM 140 O THR A 12 5.707 5.091 -7.418 1.00 25.43 O ATOM 141 CB THR A 12 6.227 8.390 -7.659 1.00 24.14 C ATOM 142 OG1 THR A 12 7.218 8.029 -6.692 1.00 4.54 O ATOM 143 CG2 THR A 12 5.743 9.807 -7.393 1.00 32.14 C ATOM 0 H THR A 12 5.239 7.346 -5.522 1.00 4.35 H new ATOM 0 HA THR A 12 4.236 7.771 -8.223 1.00 4.45 H new ATOM 0 HB THR A 12 6.664 8.355 -8.657 1.00 24.14 H new ATOM 0 HG1 THR A 12 7.961 8.667 -6.731 1.00 4.54 H new ATOM 0 HG21 THR A 12 6.589 10.494 -7.433 1.00 32.14 H new ATOM 0 HG22 THR A 12 5.010 10.089 -8.149 1.00 32.14 H new ATOM 0 HG23 THR A 12 5.283 9.855 -6.406 1.00 32.14 H new ATOM 151 N GLU A 13 5.707 5.992 -9.480 1.00 35.02 N ATOM 152 CA GLU A 13 6.151 4.767 -10.135 1.00 33.05 C ATOM 153 C GLU A 13 7.399 4.210 -9.456 1.00 32.23 C ATOM 154 O GLU A 13 7.547 2.998 -9.306 1.00 23.55 O ATOM 155 CB GLU A 13 6.435 5.028 -11.615 1.00 15.04 C ATOM 156 CG GLU A 13 6.191 3.820 -12.503 1.00 61.35 C ATOM 157 CD GLU A 13 7.464 3.299 -13.142 1.00 61.20 C ATOM 158 OE1 GLU A 13 8.171 2.501 -12.491 1.00 42.30 O ATOM 159 OE2 GLU A 13 7.751 3.687 -14.293 1.00 3.41 O ATOM 0 H GLU A 13 5.558 6.778 -10.113 1.00 35.02 H new ATOM 0 HA GLU A 13 5.353 4.030 -10.051 1.00 33.05 H new ATOM 0 HB2 GLU A 13 5.809 5.852 -11.957 1.00 15.04 H new ATOM 0 HB3 GLU A 13 7.471 5.347 -11.727 1.00 15.04 H new ATOM 0 HG2 GLU A 13 5.734 3.026 -11.912 1.00 61.35 H new ATOM 0 HG3 GLU A 13 5.479 4.086 -13.284 1.00 61.35 H new ATOM 166 N ALA A 14 8.293 5.105 -9.050 1.00 25.33 N ATOM 167 CA ALA A 14 9.529 4.703 -8.387 1.00 35.44 C ATOM 168 C ALA A 14 9.237 3.973 -7.080 1.00 0.40 C ATOM 169 O ALA A 14 9.678 2.842 -6.878 1.00 41.11 O ATOM 170 CB ALA A 14 10.409 5.917 -8.131 1.00 72.32 C ATOM 0 H ALA A 14 8.186 6.112 -9.168 1.00 25.33 H new ATOM 0 HA ALA A 14 10.060 4.016 -9.046 1.00 35.44 H new ATOM 0 HB1 ALA A 14 11.328 5.603 -7.636 1.00 72.32 H new ATOM 0 HB2 ALA A 14 10.653 6.396 -9.079 1.00 72.32 H new ATOM 0 HB3 ALA A 14 9.877 6.624 -7.494 1.00 72.32 H new ATOM 176 N TRP A 15 8.493 4.629 -6.195 1.00 63.24 N ATOM 177 CA TRP A 15 8.145 4.042 -4.906 1.00 74.33 C ATOM 178 C TRP A 15 7.372 2.741 -5.092 1.00 74.30 C ATOM 179 O TRP A 15 7.561 1.783 -4.343 1.00 14.51 O ATOM 180 CB TRP A 15 7.318 5.028 -4.081 1.00 54.24 C ATOM 181 CG TRP A 15 7.044 4.552 -2.687 1.00 31.22 C ATOM 182 CD1 TRP A 15 7.784 4.816 -1.570 1.00 44.33 C ATOM 183 CD2 TRP A 15 5.953 3.728 -2.261 1.00 61.33 C ATOM 184 NE1 TRP A 15 7.220 4.205 -0.476 1.00 41.42 N ATOM 185 CE2 TRP A 15 6.095 3.532 -0.873 1.00 55.41 C ATOM 186 CE3 TRP A 15 4.869 3.138 -2.916 1.00 61.02 C ATOM 187 CZ2 TRP A 15 5.194 2.772 -0.133 1.00 70.31 C ATOM 188 CZ3 TRP A 15 3.976 2.382 -2.180 1.00 44.13 C ATOM 189 CH2 TRP A 15 4.142 2.205 -0.801 1.00 21.14 C ATOM 0 H TRP A 15 8.120 5.566 -6.347 1.00 63.24 H new ATOM 0 HA TRP A 15 9.070 3.820 -4.373 1.00 74.33 H new ATOM 0 HB2 TRP A 15 7.843 5.982 -4.035 1.00 54.24 H new ATOM 0 HB3 TRP A 15 6.370 5.210 -4.588 1.00 54.24 H new ATOM 0 HD1 TRP A 15 8.681 5.417 -1.549 1.00 44.33 H new ATOM 0 HE1 TRP A 15 7.581 4.246 0.477 1.00 41.42 H new ATOM 0 HE3 TRP A 15 4.731 3.270 -3.979 1.00 61.02 H new ATOM 0 HZ2 TRP A 15 5.320 2.634 0.931 1.00 70.31 H new ATOM 0 HZ3 TRP A 15 3.136 1.920 -2.677 1.00 44.13 H new ATOM 0 HH2 TRP A 15 3.426 1.610 -0.254 1.00 21.14 H new ATOM 200 N ALA A 16 6.500 2.714 -6.095 1.00 53.13 N ATOM 201 CA ALA A 16 5.699 1.529 -6.380 1.00 30.12 C ATOM 202 C ALA A 16 6.586 0.335 -6.716 1.00 41.41 C ATOM 203 O ALA A 16 6.352 -0.775 -6.241 1.00 62.32 O ATOM 204 CB ALA A 16 4.731 1.808 -7.520 1.00 12.21 C ATOM 0 H ALA A 16 6.330 3.499 -6.724 1.00 53.13 H new ATOM 0 HA ALA A 16 5.127 1.283 -5.485 1.00 30.12 H new ATOM 0 HB1 ALA A 16 4.140 0.915 -7.722 1.00 12.21 H new ATOM 0 HB2 ALA A 16 4.068 2.627 -7.242 1.00 12.21 H new ATOM 0 HB3 ALA A 16 5.291 2.082 -8.414 1.00 12.21 H new ATOM 210 N GLN A 17 7.604 0.573 -7.537 1.00 74.53 N ATOM 211 CA GLN A 17 8.524 -0.484 -7.938 1.00 70.54 C ATOM 212 C GLN A 17 9.487 -0.826 -6.806 1.00 64.21 C ATOM 213 O GLN A 17 9.596 -1.981 -6.397 1.00 31.42 O ATOM 214 CB GLN A 17 9.310 -0.063 -9.181 1.00 14.30 C ATOM 215 CG GLN A 17 8.443 0.107 -10.419 1.00 2.33 C ATOM 216 CD GLN A 17 9.159 -0.298 -11.692 1.00 41.34 C ATOM 217 OE1 GLN A 17 10.372 -0.123 -11.819 1.00 35.53 O ATOM 218 NE2 GLN A 17 8.411 -0.842 -12.644 1.00 71.32 N ATOM 0 H GLN A 17 7.812 1.488 -7.937 1.00 74.53 H new ATOM 0 HA GLN A 17 7.936 -1.372 -8.172 1.00 70.54 H new ATOM 0 HB2 GLN A 17 9.824 0.876 -8.975 1.00 14.30 H new ATOM 0 HB3 GLN A 17 10.078 -0.809 -9.385 1.00 14.30 H new ATOM 0 HG2 GLN A 17 7.538 -0.491 -10.309 1.00 2.33 H new ATOM 0 HG3 GLN A 17 8.129 1.148 -10.498 1.00 2.33 H new ATOM 0 HE21 GLN A 17 7.410 -0.968 -12.496 1.00 71.32 H new ATOM 0 HE22 GLN A 17 8.837 -1.134 -13.523 1.00 71.32 H new ATOM 227 N ALA A 18 10.185 0.188 -6.303 1.00 52.21 N ATOM 228 CA ALA A 18 11.137 -0.005 -5.216 1.00 41.04 C ATOM 229 C ALA A 18 10.488 -0.721 -4.038 1.00 62.33 C ATOM 230 O ALA A 18 11.074 -1.633 -3.453 1.00 64.34 O ATOM 231 CB ALA A 18 11.710 1.334 -4.773 1.00 35.51 C ATOM 0 H ALA A 18 10.109 1.151 -6.631 1.00 52.21 H new ATOM 0 HA ALA A 18 11.949 -0.632 -5.584 1.00 41.04 H new ATOM 0 HB1 ALA A 18 12.419 1.175 -3.961 1.00 35.51 H new ATOM 0 HB2 ALA A 18 12.219 1.807 -5.612 1.00 35.51 H new ATOM 0 HB3 ALA A 18 10.902 1.979 -4.428 1.00 35.51 H new ATOM 237 N TYR A 19 9.275 -0.303 -3.693 1.00 21.20 N ATOM 238 CA TYR A 19 8.548 -0.905 -2.580 1.00 55.44 C ATOM 239 C TYR A 19 8.231 -2.369 -2.866 1.00 32.43 C ATOM 240 O TYR A 19 8.157 -3.190 -1.950 1.00 20.22 O ATOM 241 CB TYR A 19 7.254 -0.132 -2.315 1.00 61.52 C ATOM 242 CG TYR A 19 6.373 -0.772 -1.265 1.00 25.03 C ATOM 243 CD1 TYR A 19 6.920 -1.320 -0.111 1.00 31.34 C ATOM 244 CD2 TYR A 19 4.994 -0.826 -1.426 1.00 41.03 C ATOM 245 CE1 TYR A 19 6.119 -1.905 0.850 1.00 21.23 C ATOM 246 CE2 TYR A 19 4.185 -1.409 -0.470 1.00 5.41 C ATOM 247 CZ TYR A 19 4.753 -1.947 0.667 1.00 73.22 C ATOM 248 OH TYR A 19 3.951 -2.528 1.622 1.00 15.35 O ATOM 0 H TYR A 19 8.775 0.449 -4.167 1.00 21.20 H new ATOM 0 HA TYR A 19 9.181 -0.857 -1.694 1.00 55.44 H new ATOM 0 HB2 TYR A 19 7.503 0.881 -2.000 1.00 61.52 H new ATOM 0 HB3 TYR A 19 6.693 -0.048 -3.246 1.00 61.52 H new ATOM 0 HD1 TYR A 19 7.989 -1.288 0.037 1.00 31.34 H new ATOM 0 HD2 TYR A 19 4.547 -0.405 -2.314 1.00 41.03 H new ATOM 0 HE1 TYR A 19 6.560 -2.328 1.741 1.00 21.23 H new ATOM 0 HE2 TYR A 19 3.115 -1.444 -0.611 1.00 5.41 H new ATOM 0 HH TYR A 19 4.419 -2.534 2.483 1.00 15.35 H new ATOM 258 N CYS A 20 8.044 -2.690 -4.141 1.00 72.43 N ATOM 259 CA CYS A 20 7.735 -4.056 -4.549 1.00 54.54 C ATOM 260 C CYS A 20 8.941 -4.969 -4.351 1.00 31.23 C ATOM 261 O CYS A 20 8.808 -6.091 -3.864 1.00 22.50 O ATOM 262 CB CYS A 20 7.294 -4.084 -6.015 1.00 24.13 C ATOM 263 SG CYS A 20 6.661 -5.701 -6.568 1.00 5.41 S ATOM 0 H CYS A 20 8.101 -2.023 -4.911 1.00 72.43 H new ATOM 0 HA CYS A 20 6.920 -4.421 -3.924 1.00 54.54 H new ATOM 0 HB2 CYS A 20 6.520 -3.332 -6.165 1.00 24.13 H new ATOM 0 HB3 CYS A 20 8.139 -3.802 -6.643 1.00 24.13 H new ATOM 268 N ARG A 21 10.116 -4.479 -4.731 1.00 0.24 N ATOM 269 CA ARG A 21 11.345 -5.251 -4.595 1.00 40.12 C ATOM 270 C ARG A 21 11.801 -5.296 -3.139 1.00 51.21 C ATOM 271 O ARG A 21 12.224 -6.340 -2.642 1.00 11.13 O ATOM 272 CB ARG A 21 12.449 -4.650 -5.467 1.00 71.44 C ATOM 273 CG ARG A 21 12.637 -5.371 -6.793 1.00 5.44 C ATOM 274 CD ARG A 21 14.082 -5.306 -7.261 1.00 23.43 C ATOM 275 NE ARG A 21 14.470 -6.502 -8.005 1.00 42.03 N ATOM 276 CZ ARG A 21 13.999 -6.802 -9.211 1.00 2.33 C ATOM 277 NH1 ARG A 21 13.128 -5.998 -9.805 1.00 21.35 N ATOM 278 NH2 ARG A 21 14.400 -7.908 -9.825 1.00 11.33 N ATOM 0 H ARG A 21 10.243 -3.551 -5.135 1.00 0.24 H new ATOM 0 HA ARG A 21 11.143 -6.270 -4.926 1.00 40.12 H new ATOM 0 HB2 ARG A 21 12.217 -3.603 -5.662 1.00 71.44 H new ATOM 0 HB3 ARG A 21 13.389 -4.671 -4.915 1.00 71.44 H new ATOM 0 HG2 ARG A 21 12.334 -6.413 -6.688 1.00 5.44 H new ATOM 0 HG3 ARG A 21 11.989 -4.924 -7.547 1.00 5.44 H new ATOM 0 HD2 ARG A 21 14.220 -4.427 -7.890 1.00 23.43 H new ATOM 0 HD3 ARG A 21 14.738 -5.187 -6.398 1.00 23.43 H new ATOM 0 HE ARG A 21 15.139 -7.141 -7.576 1.00 42.03 H new ATOM 0 HH11 ARG A 21 12.818 -5.147 -9.336 1.00 21.35 H new ATOM 0 HH12 ARG A 21 12.768 -6.231 -10.731 1.00 21.35 H new ATOM 0 HH21 ARG A 21 15.070 -8.529 -9.371 1.00 11.33 H new ATOM 0 HH22 ARG A 21 14.038 -8.137 -10.751 1.00 11.33 H new ATOM 292 N LYS A 22 11.714 -4.157 -2.462 1.00 31.03 N ATOM 293 CA LYS A 22 12.115 -4.064 -1.064 1.00 24.03 C ATOM 294 C LYS A 22 11.488 -5.186 -0.241 1.00 52.35 C ATOM 295 O LYS A 22 12.101 -5.701 0.695 1.00 75.30 O ATOM 296 CB LYS A 22 11.714 -2.706 -0.484 1.00 34.14 C ATOM 297 CG LYS A 22 12.719 -2.147 0.509 1.00 75.31 C ATOM 298 CD LYS A 22 13.750 -1.268 -0.178 1.00 15.52 C ATOM 299 CE LYS A 22 14.503 -0.406 0.824 1.00 62.02 C ATOM 300 NZ LYS A 22 15.965 -0.691 0.812 1.00 51.34 N ATOM 0 H LYS A 22 11.369 -3.284 -2.860 1.00 31.03 H new ATOM 0 HA LYS A 22 13.199 -4.165 -1.017 1.00 24.03 H new ATOM 0 HB2 LYS A 22 11.588 -1.995 -1.300 1.00 34.14 H new ATOM 0 HB3 LYS A 22 10.746 -2.802 0.007 1.00 34.14 H new ATOM 0 HG2 LYS A 22 12.196 -1.569 1.271 1.00 75.31 H new ATOM 0 HG3 LYS A 22 13.222 -2.968 1.021 1.00 75.31 H new ATOM 0 HD2 LYS A 22 14.456 -1.893 -0.725 1.00 15.52 H new ATOM 0 HD3 LYS A 22 13.256 -0.629 -0.910 1.00 15.52 H new ATOM 0 HE2 LYS A 22 14.336 0.647 0.595 1.00 62.02 H new ATOM 0 HE3 LYS A 22 14.107 -0.582 1.824 1.00 62.02 H new ATOM 0 HZ1 LYS A 22 16.443 -0.084 1.508 1.00 51.34 H new ATOM 0 HZ2 LYS A 22 16.126 -1.689 1.055 1.00 51.34 H new ATOM 0 HZ3 LYS A 22 16.348 -0.499 -0.136 1.00 51.34 H new ATOM 314 N LEU A 23 10.265 -5.561 -0.598 1.00 10.21 N ATOM 315 CA LEU A 23 9.554 -6.623 0.106 1.00 43.10 C ATOM 316 C LEU A 23 10.227 -7.973 -0.124 1.00 42.40 C ATOM 317 O LEU A 23 10.349 -8.780 0.796 1.00 22.55 O ATOM 318 CB LEU A 23 8.097 -6.681 -0.356 1.00 22.12 C ATOM 319 CG LEU A 23 7.225 -5.483 0.021 1.00 63.21 C ATOM 320 CD1 LEU A 23 5.882 -5.557 -0.688 1.00 55.01 C ATOM 321 CD2 LEU A 23 7.032 -5.417 1.529 1.00 72.03 C ATOM 0 H LEU A 23 9.745 -5.146 -1.371 1.00 10.21 H new ATOM 0 HA LEU A 23 9.582 -6.401 1.173 1.00 43.10 H new ATOM 0 HB2 LEU A 23 8.085 -6.787 -1.441 1.00 22.12 H new ATOM 0 HB3 LEU A 23 7.641 -7.581 0.057 1.00 22.12 H new ATOM 0 HG LEU A 23 7.732 -4.573 -0.300 1.00 63.21 H new ATOM 0 HD11 LEU A 23 5.275 -4.696 -0.408 1.00 55.01 H new ATOM 0 HD12 LEU A 23 6.039 -5.554 -1.767 1.00 55.01 H new ATOM 0 HD13 LEU A 23 5.368 -6.474 -0.399 1.00 55.01 H new ATOM 0 HD21 LEU A 23 6.409 -4.558 1.779 1.00 72.03 H new ATOM 0 HD22 LEU A 23 6.547 -6.330 1.874 1.00 72.03 H new ATOM 0 HD23 LEU A 23 8.002 -5.315 2.016 1.00 72.03 H new ATOM 333 N ASN A 24 10.663 -8.208 -1.357 1.00 63.10 N ATOM 334 CA ASN A 24 11.325 -9.460 -1.707 1.00 42.21 C ATOM 335 C ASN A 24 12.520 -9.718 -0.793 1.00 52.31 C ATOM 336 O ASN A 24 12.911 -10.864 -0.575 1.00 11.10 O ATOM 337 CB ASN A 24 11.784 -9.428 -3.167 1.00 14.42 C ATOM 338 CG ASN A 24 10.860 -10.209 -4.080 1.00 33.13 C ATOM 339 OD1 ASN A 24 10.630 -11.402 -3.876 1.00 55.32 O ATOM 340 ND2 ASN A 24 10.324 -9.540 -5.094 1.00 41.41 N ATOM 0 H ASN A 24 10.570 -7.549 -2.130 1.00 63.10 H new ATOM 0 HA ASN A 24 10.608 -10.270 -1.576 1.00 42.21 H new ATOM 0 HB2 ASN A 24 11.836 -8.393 -3.506 1.00 14.42 H new ATOM 0 HB3 ASN A 24 12.792 -9.838 -3.237 1.00 14.42 H new ATOM 0 HD21 ASN A 24 9.694 -10.014 -5.741 1.00 41.41 H new ATOM 0 HD22 ASN A 24 10.542 -8.552 -5.225 1.00 41.41 H new ATOM 347 N GLU A 25 13.094 -8.643 -0.260 1.00 54.42 N ATOM 348 CA GLU A 25 14.242 -8.754 0.630 1.00 4.41 C ATOM 349 C GLU A 25 13.827 -9.312 1.987 1.00 4.21 C ATOM 350 O GLU A 25 14.547 -10.110 2.589 1.00 42.10 O ATOM 351 CB GLU A 25 14.909 -7.387 0.810 1.00 61.21 C ATOM 352 CG GLU A 25 15.240 -6.694 -0.501 1.00 4.25 C ATOM 353 CD GLU A 25 16.710 -6.340 -0.618 1.00 3.24 C ATOM 354 OE1 GLU A 25 17.550 -7.263 -0.572 1.00 2.01 O ATOM 355 OE2 GLU A 25 17.021 -5.137 -0.754 1.00 2.02 O ATOM 0 H GLU A 25 12.782 -7.687 -0.430 1.00 54.42 H new ATOM 0 HA GLU A 25 14.955 -9.442 0.177 1.00 4.41 H new ATOM 0 HB2 GLU A 25 14.250 -6.745 1.394 1.00 61.21 H new ATOM 0 HB3 GLU A 25 15.826 -7.512 1.386 1.00 61.21 H new ATOM 0 HG2 GLU A 25 14.959 -7.342 -1.331 1.00 4.25 H new ATOM 0 HG3 GLU A 25 14.643 -5.786 -0.589 1.00 4.25 H new ATOM 362 N SER A 26 12.662 -8.887 2.465 1.00 63.22 N ATOM 363 CA SER A 26 12.152 -9.342 3.753 1.00 43.11 C ATOM 364 C SER A 26 11.523 -10.726 3.631 1.00 12.11 C ATOM 365 O SER A 26 10.372 -10.862 3.216 1.00 41.34 O ATOM 366 CB SER A 26 11.124 -8.348 4.298 1.00 51.44 C ATOM 367 OG SER A 26 11.396 -8.021 5.650 1.00 72.53 O ATOM 0 H SER A 26 12.053 -8.228 1.980 1.00 63.22 H new ATOM 0 HA SER A 26 12.991 -9.404 4.446 1.00 43.11 H new ATOM 0 HB2 SER A 26 11.134 -7.442 3.693 1.00 51.44 H new ATOM 0 HB3 SER A 26 10.124 -8.774 4.218 1.00 51.44 H new ATOM 0 HG SER A 26 10.726 -7.383 5.974 1.00 72.53 H new ATOM 373 N GLU A 27 12.287 -11.751 3.996 1.00 62.03 N ATOM 374 CA GLU A 27 11.804 -13.125 3.927 1.00 60.33 C ATOM 375 C GLU A 27 10.610 -13.331 4.854 1.00 3.55 C ATOM 376 O GLU A 27 9.667 -14.044 4.519 1.00 34.25 O ATOM 377 CB GLU A 27 12.924 -14.101 4.295 1.00 75.35 C ATOM 378 CG GLU A 27 13.228 -15.117 3.206 1.00 10.24 C ATOM 379 CD GLU A 27 14.702 -15.468 3.129 1.00 13.55 C ATOM 380 OE1 GLU A 27 15.531 -14.634 3.550 1.00 50.11 O ATOM 381 OE2 GLU A 27 15.025 -16.574 2.650 1.00 42.21 O ATOM 0 H GLU A 27 13.242 -11.656 4.342 1.00 62.03 H new ATOM 0 HA GLU A 27 11.483 -13.319 2.903 1.00 60.33 H new ATOM 0 HB2 GLU A 27 13.829 -13.536 4.516 1.00 75.35 H new ATOM 0 HB3 GLU A 27 12.648 -14.630 5.207 1.00 75.35 H new ATOM 0 HG2 GLU A 27 12.652 -16.024 3.389 1.00 10.24 H new ATOM 0 HG3 GLU A 27 12.902 -14.721 2.244 1.00 10.24 H new ATOM 388 N ALA A 28 10.661 -12.699 6.023 1.00 45.23 N ATOM 389 CA ALA A 28 9.584 -12.810 6.998 1.00 12.20 C ATOM 390 C ALA A 28 8.239 -12.451 6.376 1.00 60.34 C ATOM 391 O ALA A 28 7.246 -13.148 6.576 1.00 35.45 O ATOM 392 CB ALA A 28 9.866 -11.919 8.200 1.00 71.31 C ATOM 0 H ALA A 28 11.437 -12.105 6.317 1.00 45.23 H new ATOM 0 HA ALA A 28 9.535 -13.847 7.331 1.00 12.20 H new ATOM 0 HB1 ALA A 28 9.053 -12.012 8.920 1.00 71.31 H new ATOM 0 HB2 ALA A 28 10.802 -12.224 8.668 1.00 71.31 H new ATOM 0 HB3 ALA A 28 9.945 -10.882 7.874 1.00 71.31 H new ATOM 398 N TYR A 29 8.215 -11.359 5.620 1.00 3.00 N ATOM 399 CA TYR A 29 6.991 -10.906 4.970 1.00 3.22 C ATOM 400 C TYR A 29 6.435 -11.983 4.044 1.00 1.43 C ATOM 401 O TYR A 29 5.318 -12.463 4.234 1.00 74.33 O ATOM 402 CB TYR A 29 7.254 -9.624 4.178 1.00 11.43 C ATOM 403 CG TYR A 29 6.183 -9.311 3.159 1.00 0.21 C ATOM 404 CD1 TYR A 29 4.844 -9.245 3.526 1.00 2.44 C ATOM 405 CD2 TYR A 29 6.508 -9.083 1.827 1.00 12.11 C ATOM 406 CE1 TYR A 29 3.861 -8.960 2.598 1.00 20.21 C ATOM 407 CE2 TYR A 29 5.532 -8.796 0.892 1.00 34.45 C ATOM 408 CZ TYR A 29 4.210 -8.736 1.283 1.00 22.42 C ATOM 409 OH TYR A 29 3.235 -8.453 0.355 1.00 54.31 O ATOM 0 H TYR A 29 9.029 -10.771 5.442 1.00 3.00 H new ATOM 0 HA TYR A 29 6.252 -10.702 5.745 1.00 3.22 H new ATOM 0 HB2 TYR A 29 7.338 -8.788 4.873 1.00 11.43 H new ATOM 0 HB3 TYR A 29 8.214 -9.712 3.669 1.00 11.43 H new ATOM 0 HD1 TYR A 29 4.567 -9.420 4.555 1.00 2.44 H new ATOM 0 HD2 TYR A 29 7.542 -9.131 1.517 1.00 12.11 H new ATOM 0 HE1 TYR A 29 2.825 -8.913 2.901 1.00 20.21 H new ATOM 0 HE2 TYR A 29 5.802 -8.620 -0.139 1.00 34.45 H new ATOM 0 HH TYR A 29 2.584 -9.185 0.331 1.00 54.31 H new ATOM 419 N ARG A 30 7.224 -12.359 3.043 1.00 12.33 N ATOM 420 CA ARG A 30 6.811 -13.379 2.087 1.00 52.33 C ATOM 421 C ARG A 30 6.136 -14.548 2.797 1.00 55.00 C ATOM 422 O ARG A 30 5.146 -15.095 2.312 1.00 75.45 O ATOM 423 CB ARG A 30 8.017 -13.879 1.290 1.00 25.04 C ATOM 424 CG ARG A 30 7.677 -14.298 -0.130 1.00 62.03 C ATOM 425 CD ARG A 30 8.215 -15.686 -0.446 1.00 22.00 C ATOM 426 NE ARG A 30 8.496 -15.853 -1.868 1.00 70.35 N ATOM 427 CZ ARG A 30 8.583 -17.037 -2.467 1.00 10.34 C ATOM 428 NH1 ARG A 30 8.411 -18.150 -1.768 1.00 33.05 N ATOM 429 NH2 ARG A 30 8.842 -17.108 -3.766 1.00 4.01 N ATOM 0 H ARG A 30 8.153 -11.973 2.873 1.00 12.33 H new ATOM 0 HA ARG A 30 6.093 -12.930 1.402 1.00 52.33 H new ATOM 0 HB2 ARG A 30 8.771 -13.093 1.257 1.00 25.04 H new ATOM 0 HB3 ARG A 30 8.462 -14.726 1.813 1.00 25.04 H new ATOM 0 HG2 ARG A 30 6.595 -14.287 -0.265 1.00 62.03 H new ATOM 0 HG3 ARG A 30 8.093 -13.577 -0.833 1.00 62.03 H new ATOM 0 HD2 ARG A 30 9.126 -15.861 0.126 1.00 22.00 H new ATOM 0 HD3 ARG A 30 7.491 -16.436 -0.129 1.00 22.00 H new ATOM 0 HE ARG A 30 8.633 -15.015 -2.434 1.00 70.35 H new ATOM 0 HH11 ARG A 30 8.212 -18.099 -0.769 1.00 33.05 H new ATOM 0 HH12 ARG A 30 8.478 -19.057 -2.229 1.00 33.05 H new ATOM 0 HH21 ARG A 30 8.975 -16.254 -4.307 1.00 4.01 H new ATOM 0 HH22 ARG A 30 8.908 -18.017 -4.224 1.00 4.01 H new ATOM 443 N LYS A 31 6.679 -14.927 3.949 1.00 15.30 N ATOM 444 CA LYS A 31 6.129 -16.030 4.728 1.00 23.54 C ATOM 445 C LYS A 31 4.888 -15.589 5.497 1.00 61.12 C ATOM 446 O LYS A 31 3.966 -16.376 5.708 1.00 12.44 O ATOM 447 CB LYS A 31 7.180 -16.567 5.701 1.00 25.35 C ATOM 448 CG LYS A 31 8.465 -17.014 5.024 1.00 33.31 C ATOM 449 CD LYS A 31 9.443 -17.611 6.021 1.00 24.44 C ATOM 450 CE LYS A 31 10.872 -17.549 5.506 1.00 61.44 C ATOM 451 NZ LYS A 31 11.469 -18.906 5.363 1.00 64.23 N ATOM 0 H LYS A 31 7.500 -14.486 4.364 1.00 15.30 H new ATOM 0 HA LYS A 31 5.843 -16.823 4.036 1.00 23.54 H new ATOM 0 HB2 LYS A 31 7.415 -15.793 6.432 1.00 25.35 H new ATOM 0 HB3 LYS A 31 6.758 -17.408 6.251 1.00 25.35 H new ATOM 0 HG2 LYS A 31 8.234 -17.750 4.254 1.00 33.31 H new ATOM 0 HG3 LYS A 31 8.928 -16.164 4.523 1.00 33.31 H new ATOM 0 HD2 LYS A 31 9.373 -17.074 6.967 1.00 24.44 H new ATOM 0 HD3 LYS A 31 9.172 -18.648 6.222 1.00 24.44 H new ATOM 0 HE2 LYS A 31 10.889 -17.041 4.542 1.00 61.44 H new ATOM 0 HE3 LYS A 31 11.479 -16.955 6.189 1.00 61.44 H new ATOM 0 HZ1 LYS A 31 12.443 -18.821 5.010 1.00 64.23 H new ATOM 0 HZ2 LYS A 31 11.476 -19.381 6.288 1.00 64.23 H new ATOM 0 HZ3 LYS A 31 10.905 -19.465 4.691 1.00 64.23 H new ATOM 465 N ALA A 32 4.871 -14.326 5.910 1.00 72.20 N ATOM 466 CA ALA A 32 3.741 -13.781 6.652 1.00 44.52 C ATOM 467 C ALA A 32 2.497 -13.696 5.775 1.00 60.24 C ATOM 468 O ALA A 32 1.388 -13.978 6.225 1.00 31.12 O ATOM 469 CB ALA A 32 4.090 -12.408 7.210 1.00 13.21 C ATOM 0 H ALA A 32 5.627 -13.661 5.743 1.00 72.20 H new ATOM 0 HA ALA A 32 3.523 -14.455 7.481 1.00 44.52 H new ATOM 0 HB1 ALA A 32 3.238 -12.012 7.762 1.00 13.21 H new ATOM 0 HB2 ALA A 32 4.947 -12.494 7.878 1.00 13.21 H new ATOM 0 HB3 ALA A 32 4.336 -11.734 6.390 1.00 13.21 H new ATOM 475 N ALA A 33 2.690 -13.306 4.519 1.00 73.21 N ATOM 476 CA ALA A 33 1.584 -13.186 3.577 1.00 14.34 C ATOM 477 C ALA A 33 1.560 -14.361 2.605 1.00 55.20 C ATOM 478 O ALA A 33 1.134 -14.221 1.459 1.00 33.01 O ATOM 479 CB ALA A 33 1.677 -11.871 2.818 1.00 65.54 C ATOM 0 H ALA A 33 3.602 -13.068 4.130 1.00 73.21 H new ATOM 0 HA ALA A 33 0.653 -13.200 4.144 1.00 14.34 H new ATOM 0 HB1 ALA A 33 0.845 -11.795 2.118 1.00 65.54 H new ATOM 0 HB2 ALA A 33 1.635 -11.040 3.523 1.00 65.54 H new ATOM 0 HB3 ALA A 33 2.618 -11.834 2.268 1.00 65.54 H new ATOM 485 N SER A 34 2.021 -15.518 3.071 1.00 40.52 N ATOM 486 CA SER A 34 2.057 -16.716 2.240 1.00 4.41 C ATOM 487 C SER A 34 0.645 -17.184 1.901 1.00 45.42 C ATOM 488 O SER A 34 -0.296 -16.962 2.663 1.00 42.30 O ATOM 489 CB SER A 34 2.819 -17.833 2.954 1.00 61.23 C ATOM 490 OG SER A 34 1.929 -18.711 3.623 1.00 0.53 O ATOM 0 H SER A 34 2.374 -15.651 4.019 1.00 40.52 H new ATOM 0 HA SER A 34 2.572 -16.470 1.311 1.00 4.41 H new ATOM 0 HB2 SER A 34 3.412 -18.393 2.231 1.00 61.23 H new ATOM 0 HB3 SER A 34 3.516 -17.401 3.672 1.00 61.23 H new ATOM 0 HG SER A 34 2.441 -19.417 4.070 1.00 0.53 H new ATOM 496 N THR A 35 0.504 -17.832 0.749 1.00 63.21 N ATOM 497 CA THR A 35 -0.791 -18.331 0.306 1.00 0.21 C ATOM 498 C THR A 35 -1.585 -17.243 -0.407 1.00 51.31 C ATOM 499 O THR A 35 -2.497 -17.532 -1.180 1.00 54.11 O ATOM 500 CB THR A 35 -1.622 -18.865 1.488 1.00 22.23 C ATOM 501 OG1 THR A 35 -0.754 -19.389 2.500 1.00 41.32 O ATOM 502 CG2 THR A 35 -2.584 -19.951 1.027 1.00 3.31 C ATOM 0 H THR A 35 1.272 -18.023 0.106 1.00 63.21 H new ATOM 0 HA THR A 35 -0.594 -19.148 -0.388 1.00 0.21 H new ATOM 0 HB THR A 35 -2.202 -18.038 1.899 1.00 22.23 H new ATOM 0 HG1 THR A 35 -0.617 -18.712 3.196 1.00 41.32 H new ATOM 0 HG21 THR A 35 -3.160 -20.313 1.879 1.00 3.31 H new ATOM 0 HG22 THR A 35 -3.262 -19.542 0.278 1.00 3.31 H new ATOM 0 HG23 THR A 35 -2.020 -20.777 0.594 1.00 3.31 H new ATOM 510 N TRP A 36 -1.231 -15.990 -0.143 1.00 21.33 N ATOM 511 CA TRP A 36 -1.911 -14.858 -0.760 1.00 41.43 C ATOM 512 C TRP A 36 -1.661 -14.827 -2.264 1.00 51.33 C ATOM 513 O TRP A 36 -0.527 -14.977 -2.716 1.00 64.14 O ATOM 514 CB TRP A 36 -1.442 -13.547 -0.126 1.00 52.15 C ATOM 515 CG TRP A 36 -1.852 -12.331 -0.902 1.00 14.02 C ATOM 516 CD1 TRP A 36 -1.428 -11.973 -2.149 1.00 21.31 C ATOM 517 CD2 TRP A 36 -2.767 -11.314 -0.479 1.00 45.34 C ATOM 518 NE1 TRP A 36 -2.023 -10.794 -2.528 1.00 61.43 N ATOM 519 CE2 TRP A 36 -2.850 -10.369 -1.521 1.00 64.51 C ATOM 520 CE3 TRP A 36 -3.525 -11.109 0.677 1.00 74.14 C ATOM 521 CZ2 TRP A 36 -3.659 -9.240 -1.439 1.00 15.54 C ATOM 522 CZ3 TRP A 36 -4.327 -9.987 0.757 1.00 34.01 C ATOM 523 CH2 TRP A 36 -4.390 -9.064 -0.296 1.00 32.23 C ATOM 0 H TRP A 36 -0.477 -15.733 0.494 1.00 21.33 H new ATOM 0 HA TRP A 36 -2.982 -14.973 -0.590 1.00 41.43 H new ATOM 0 HB2 TRP A 36 -1.844 -13.477 0.885 1.00 52.15 H new ATOM 0 HB3 TRP A 36 -0.356 -13.563 -0.037 1.00 52.15 H new ATOM 0 HD1 TRP A 36 -0.728 -12.534 -2.750 1.00 21.31 H new ATOM 0 HE1 TRP A 36 -1.874 -10.313 -3.415 1.00 61.43 H new ATOM 0 HE3 TRP A 36 -3.485 -11.815 1.493 1.00 74.14 H new ATOM 0 HZ2 TRP A 36 -3.708 -8.528 -2.249 1.00 15.54 H new ATOM 0 HZ3 TRP A 36 -4.916 -9.818 1.646 1.00 34.01 H new ATOM 0 HH2 TRP A 36 -5.028 -8.197 -0.203 1.00 32.23 H new ATOM 534 N GLU A 37 -2.728 -14.631 -3.033 1.00 41.44 N ATOM 535 CA GLU A 37 -2.622 -14.581 -4.487 1.00 61.23 C ATOM 536 C GLU A 37 -3.396 -13.392 -5.048 1.00 54.33 C ATOM 537 O GLU A 37 -4.560 -13.180 -4.711 1.00 4.53 O ATOM 538 CB GLU A 37 -3.144 -15.880 -5.103 1.00 22.42 C ATOM 539 CG GLU A 37 -2.083 -16.961 -5.234 1.00 45.05 C ATOM 540 CD GLU A 37 -2.672 -18.359 -5.243 1.00 1.41 C ATOM 541 OE1 GLU A 37 -3.571 -18.618 -6.070 1.00 21.13 O ATOM 542 OE2 GLU A 37 -2.232 -19.192 -4.424 1.00 14.53 O ATOM 0 H GLU A 37 -3.674 -14.504 -2.674 1.00 41.44 H new ATOM 0 HA GLU A 37 -1.570 -14.462 -4.745 1.00 61.23 H new ATOM 0 HB2 GLU A 37 -3.963 -16.259 -4.492 1.00 22.42 H new ATOM 0 HB3 GLU A 37 -3.555 -15.665 -6.089 1.00 22.42 H new ATOM 0 HG2 GLU A 37 -1.520 -16.802 -6.153 1.00 45.05 H new ATOM 0 HG3 GLU A 37 -1.377 -16.874 -4.408 1.00 45.05 H new ATOM 549 N GLY A 38 -2.741 -12.619 -5.909 1.00 61.41 N ATOM 550 CA GLY A 38 -3.382 -11.461 -6.504 1.00 25.10 C ATOM 551 C GLY A 38 -2.534 -10.209 -6.394 1.00 54.30 C ATOM 552 O GLY A 38 -1.411 -10.254 -5.894 1.00 12.05 O ATOM 0 H GLY A 38 -1.777 -12.774 -6.205 1.00 61.41 H new ATOM 0 HA2 GLY A 38 -3.590 -11.664 -7.555 1.00 25.10 H new ATOM 0 HA3 GLY A 38 -4.342 -11.290 -6.016 1.00 25.10 H new ATOM 556 N SER A 39 -3.073 -9.089 -6.865 1.00 1.42 N ATOM 557 CA SER A 39 -2.356 -7.820 -6.823 1.00 5.40 C ATOM 558 C SER A 39 -3.089 -6.811 -5.943 1.00 3.24 C ATOM 559 O SER A 39 -4.317 -6.727 -5.966 1.00 32.04 O ATOM 560 CB SER A 39 -2.190 -7.256 -8.235 1.00 53.43 C ATOM 561 OG SER A 39 -3.444 -6.907 -8.796 1.00 34.41 O ATOM 0 H SER A 39 -4.003 -9.035 -7.280 1.00 1.42 H new ATOM 0 HA SER A 39 -1.370 -8.002 -6.394 1.00 5.40 H new ATOM 0 HB2 SER A 39 -1.544 -6.378 -8.206 1.00 53.43 H new ATOM 0 HB3 SER A 39 -1.697 -7.993 -8.869 1.00 53.43 H new ATOM 0 HG SER A 39 -3.310 -6.548 -9.698 1.00 34.41 H new ATOM 567 N LEU A 40 -2.326 -6.048 -5.168 1.00 13.25 N ATOM 568 CA LEU A 40 -2.901 -5.044 -4.279 1.00 1.20 C ATOM 569 C LEU A 40 -2.735 -3.643 -4.860 1.00 73.14 C ATOM 570 O LEU A 40 -1.666 -3.288 -5.355 1.00 73.35 O ATOM 571 CB LEU A 40 -2.242 -5.117 -2.901 1.00 31.23 C ATOM 572 CG LEU A 40 -2.662 -4.042 -1.898 1.00 43.10 C ATOM 573 CD1 LEU A 40 -4.152 -4.135 -1.608 1.00 34.25 C ATOM 574 CD2 LEU A 40 -1.858 -4.168 -0.613 1.00 3.24 C ATOM 0 H LEU A 40 -1.308 -6.105 -5.137 1.00 13.25 H new ATOM 0 HA LEU A 40 -3.966 -5.252 -4.178 1.00 1.20 H new ATOM 0 HB2 LEU A 40 -2.459 -6.094 -2.468 1.00 31.23 H new ATOM 0 HB3 LEU A 40 -1.162 -5.060 -3.034 1.00 31.23 H new ATOM 0 HG LEU A 40 -2.458 -3.065 -2.336 1.00 43.10 H new ATOM 0 HD11 LEU A 40 -4.432 -3.362 -0.892 1.00 34.25 H new ATOM 0 HD12 LEU A 40 -4.712 -3.994 -2.532 1.00 34.25 H new ATOM 0 HD13 LEU A 40 -4.381 -5.116 -1.191 1.00 34.25 H new ATOM 0 HD21 LEU A 40 -2.170 -3.395 0.089 1.00 3.24 H new ATOM 0 HD22 LEU A 40 -2.029 -5.150 -0.171 1.00 3.24 H new ATOM 0 HD23 LEU A 40 -0.797 -4.050 -0.834 1.00 3.24 H new ATOM 586 N ALA A 41 -3.801 -2.851 -4.795 1.00 74.14 N ATOM 587 CA ALA A 41 -3.773 -1.488 -5.311 1.00 64.32 C ATOM 588 C ALA A 41 -4.200 -0.488 -4.242 1.00 52.15 C ATOM 589 O ALA A 41 -5.259 -0.633 -3.629 1.00 62.44 O ATOM 590 CB ALA A 41 -4.667 -1.369 -6.536 1.00 33.43 C ATOM 0 H ALA A 41 -4.695 -3.130 -4.390 1.00 74.14 H new ATOM 0 HA ALA A 41 -2.748 -1.256 -5.600 1.00 64.32 H new ATOM 0 HB1 ALA A 41 -4.636 -0.346 -6.911 1.00 33.43 H new ATOM 0 HB2 ALA A 41 -4.315 -2.050 -7.311 1.00 33.43 H new ATOM 0 HB3 ALA A 41 -5.691 -1.626 -6.265 1.00 33.43 H new ATOM 596 N LEU A 42 -3.371 0.526 -4.023 1.00 12.31 N ATOM 597 CA LEU A 42 -3.663 1.552 -3.027 1.00 34.12 C ATOM 598 C LEU A 42 -4.062 2.863 -3.696 1.00 42.21 C ATOM 599 O LEU A 42 -3.212 3.596 -4.203 1.00 72.33 O ATOM 600 CB LEU A 42 -2.448 1.775 -2.125 1.00 25.35 C ATOM 601 CG LEU A 42 -1.808 0.516 -1.538 1.00 4.12 C ATOM 602 CD1 LEU A 42 -0.444 0.838 -0.947 1.00 24.53 C ATOM 603 CD2 LEU A 42 -2.715 -0.102 -0.484 1.00 54.31 C ATOM 0 H LEU A 42 -2.491 0.660 -4.521 1.00 12.31 H new ATOM 0 HA LEU A 42 -4.500 1.207 -2.420 1.00 34.12 H new ATOM 0 HB2 LEU A 42 -1.690 2.311 -2.696 1.00 25.35 H new ATOM 0 HB3 LEU A 42 -2.746 2.425 -1.302 1.00 25.35 H new ATOM 0 HG LEU A 42 -1.672 -0.208 -2.341 1.00 4.12 H new ATOM 0 HD11 LEU A 42 -0.003 -0.069 -0.534 1.00 24.53 H new ATOM 0 HD12 LEU A 42 0.206 1.235 -1.727 1.00 24.53 H new ATOM 0 HD13 LEU A 42 -0.556 1.580 -0.156 1.00 24.53 H new ATOM 0 HD21 LEU A 42 -2.243 -0.997 -0.077 1.00 54.31 H new ATOM 0 HD22 LEU A 42 -2.882 0.616 0.318 1.00 54.31 H new ATOM 0 HD23 LEU A 42 -3.670 -0.369 -0.937 1.00 54.31 H new ATOM 615 N ALA A 43 -5.359 3.154 -3.691 1.00 64.14 N ATOM 616 CA ALA A 43 -5.869 4.379 -4.294 1.00 62.45 C ATOM 617 C ALA A 43 -5.950 5.503 -3.268 1.00 13.23 C ATOM 618 O ALA A 43 -6.405 5.298 -2.143 1.00 0.14 O ATOM 619 CB ALA A 43 -7.234 4.131 -4.918 1.00 51.23 C ATOM 0 H ALA A 43 -6.075 2.558 -3.276 1.00 64.14 H new ATOM 0 HA ALA A 43 -5.175 4.686 -5.076 1.00 62.45 H new ATOM 0 HB1 ALA A 43 -7.603 5.054 -5.365 1.00 51.23 H new ATOM 0 HB2 ALA A 43 -7.148 3.364 -5.688 1.00 51.23 H new ATOM 0 HB3 ALA A 43 -7.930 3.796 -4.149 1.00 51.23 H new ATOM 625 N VAL A 44 -5.505 6.692 -3.662 1.00 34.23 N ATOM 626 CA VAL A 44 -5.529 7.849 -2.776 1.00 4.43 C ATOM 627 C VAL A 44 -6.518 8.900 -3.269 1.00 44.03 C ATOM 628 O VAL A 44 -6.389 9.414 -4.381 1.00 2.12 O ATOM 629 CB VAL A 44 -4.134 8.491 -2.654 1.00 22.14 C ATOM 630 CG1 VAL A 44 -4.230 9.860 -1.999 1.00 34.54 C ATOM 631 CG2 VAL A 44 -3.197 7.582 -1.872 1.00 73.51 C ATOM 0 H VAL A 44 -5.123 6.879 -4.589 1.00 34.23 H new ATOM 0 HA VAL A 44 -5.844 7.490 -1.796 1.00 4.43 H new ATOM 0 HB VAL A 44 -3.725 8.623 -3.656 1.00 22.14 H new ATOM 0 HG11 VAL A 44 -3.234 10.297 -1.922 1.00 34.54 H new ATOM 0 HG12 VAL A 44 -4.865 10.508 -2.603 1.00 34.54 H new ATOM 0 HG13 VAL A 44 -4.659 9.757 -1.002 1.00 34.54 H new ATOM 0 HG21 VAL A 44 -2.216 8.050 -1.795 1.00 73.51 H new ATOM 0 HG22 VAL A 44 -3.600 7.417 -0.873 1.00 73.51 H new ATOM 0 HG23 VAL A 44 -3.103 6.626 -2.387 1.00 73.51 H new ATOM 641 N ARG A 45 -7.503 9.214 -2.436 1.00 60.11 N ATOM 642 CA ARG A 45 -8.515 10.204 -2.787 1.00 62.41 C ATOM 643 C ARG A 45 -7.867 11.488 -3.295 1.00 11.45 C ATOM 644 O ARG A 45 -6.821 11.919 -2.807 1.00 75.10 O ATOM 645 CB ARG A 45 -9.401 10.509 -1.578 1.00 50.54 C ATOM 646 CG ARG A 45 -10.623 9.612 -1.477 1.00 53.42 C ATOM 647 CD ARG A 45 -11.865 10.402 -1.090 1.00 65.45 C ATOM 648 NE ARG A 45 -12.540 10.965 -2.257 1.00 4.21 N ATOM 649 CZ ARG A 45 -13.378 11.994 -2.195 1.00 75.23 C ATOM 650 NH1 ARG A 45 -13.643 12.569 -1.031 1.00 31.22 N ATOM 651 NH2 ARG A 45 -13.954 12.448 -3.301 1.00 53.42 N ATOM 0 H ARG A 45 -7.623 8.798 -1.513 1.00 60.11 H new ATOM 0 HA ARG A 45 -9.132 9.790 -3.585 1.00 62.41 H new ATOM 0 HB2 ARG A 45 -8.809 10.406 -0.669 1.00 50.54 H new ATOM 0 HB3 ARG A 45 -9.727 11.548 -1.630 1.00 50.54 H new ATOM 0 HG2 ARG A 45 -10.790 9.114 -2.432 1.00 53.42 H new ATOM 0 HG3 ARG A 45 -10.442 8.831 -0.738 1.00 53.42 H new ATOM 0 HD2 ARG A 45 -12.554 9.753 -0.550 1.00 65.45 H new ATOM 0 HD3 ARG A 45 -11.586 11.206 -0.409 1.00 65.45 H new ATOM 0 HE ARG A 45 -12.358 10.545 -3.169 1.00 4.21 H new ATOM 0 HH11 ARG A 45 -13.203 12.222 -0.179 1.00 31.22 H new ATOM 0 HH12 ARG A 45 -14.287 13.359 -0.987 1.00 31.22 H new ATOM 0 HH21 ARG A 45 -13.753 12.007 -4.199 1.00 53.42 H new ATOM 0 HH22 ARG A 45 -14.597 13.238 -3.254 1.00 53.42 H new ATOM 665 N PRO A 46 -8.500 12.116 -4.297 1.00 4.14 N ATOM 666 CA PRO A 46 -8.002 13.359 -4.891 1.00 42.51 C ATOM 667 C PRO A 46 -8.124 14.547 -3.941 1.00 31.44 C ATOM 668 O PRO A 46 -9.148 14.722 -3.280 1.00 71.32 O ATOM 669 CB PRO A 46 -8.907 13.557 -6.110 1.00 65.32 C ATOM 670 CG PRO A 46 -10.163 12.833 -5.771 1.00 41.41 C ATOM 671 CD PRO A 46 -9.750 11.660 -4.926 1.00 71.43 C ATOM 0 HA PRO A 46 -6.941 13.297 -5.134 1.00 42.51 H new ATOM 0 HB2 PRO A 46 -9.097 14.614 -6.294 1.00 65.32 H new ATOM 0 HB3 PRO A 46 -8.449 13.153 -7.013 1.00 65.32 H new ATOM 0 HG2 PRO A 46 -10.853 13.481 -5.229 1.00 41.41 H new ATOM 0 HG3 PRO A 46 -10.678 12.502 -6.673 1.00 41.41 H new ATOM 0 HD2 PRO A 46 -10.508 11.414 -4.182 1.00 71.43 H new ATOM 0 HD3 PRO A 46 -9.593 10.766 -5.529 1.00 71.43 H new ATOM 679 N ASP A 47 -7.074 15.358 -3.877 1.00 15.30 N ATOM 680 CA ASP A 47 -7.065 16.529 -3.009 1.00 60.31 C ATOM 681 C ASP A 47 -6.017 17.538 -3.467 1.00 43.03 C ATOM 682 O ASP A 47 -4.871 17.191 -3.756 1.00 44.23 O ATOM 683 CB ASP A 47 -6.793 16.115 -1.561 1.00 42.22 C ATOM 684 CG ASP A 47 -7.836 16.650 -0.601 1.00 5.43 C ATOM 685 OD1 ASP A 47 -7.833 17.873 -0.344 1.00 55.04 O ATOM 686 OD2 ASP A 47 -8.654 15.848 -0.104 1.00 63.22 O ATOM 0 H ASP A 47 -6.218 15.226 -4.416 1.00 15.30 H new ATOM 0 HA ASP A 47 -8.046 17.000 -3.067 1.00 60.31 H new ATOM 0 HB2 ASP A 47 -6.767 15.027 -1.496 1.00 42.22 H new ATOM 0 HB3 ASP A 47 -5.809 16.476 -1.262 1.00 42.22 H new ATOM 691 N PRO A 48 -6.416 18.816 -3.538 1.00 63.12 N ATOM 692 CA PRO A 48 -5.527 19.901 -3.963 1.00 3.11 C ATOM 693 C PRO A 48 -4.439 20.196 -2.934 1.00 74.33 C ATOM 694 O PRO A 48 -3.316 20.554 -3.287 1.00 71.42 O ATOM 695 CB PRO A 48 -6.469 21.099 -4.102 1.00 43.20 C ATOM 696 CG PRO A 48 -7.605 20.796 -3.187 1.00 24.12 C ATOM 697 CD PRO A 48 -7.767 19.301 -3.209 1.00 71.52 C ATOM 0 HA PRO A 48 -4.992 19.653 -4.880 1.00 3.11 H new ATOM 0 HB2 PRO A 48 -5.972 22.028 -3.822 1.00 43.20 H new ATOM 0 HB3 PRO A 48 -6.810 21.217 -5.131 1.00 43.20 H new ATOM 0 HG2 PRO A 48 -7.398 21.151 -2.177 1.00 24.12 H new ATOM 0 HG3 PRO A 48 -8.517 21.292 -3.519 1.00 24.12 H new ATOM 0 HD2 PRO A 48 -8.107 18.920 -2.246 1.00 71.52 H new ATOM 0 HD3 PRO A 48 -8.499 18.987 -3.953 1.00 71.52 H new ATOM 705 N LYS A 49 -4.781 20.041 -1.659 1.00 43.32 N ATOM 706 CA LYS A 49 -3.834 20.288 -0.578 1.00 20.41 C ATOM 707 C LYS A 49 -2.485 19.642 -0.878 1.00 75.20 C ATOM 708 O LYS A 49 -1.435 20.204 -0.568 1.00 31.23 O ATOM 709 CB LYS A 49 -4.387 19.750 0.744 1.00 1.22 C ATOM 710 CG LYS A 49 -4.377 20.772 1.868 1.00 65.44 C ATOM 711 CD LYS A 49 -5.176 20.290 3.067 1.00 24.30 C ATOM 712 CE LYS A 49 -5.046 21.245 4.244 1.00 42.30 C ATOM 713 NZ LYS A 49 -5.250 20.553 5.546 1.00 73.43 N ATOM 0 H LYS A 49 -5.707 19.746 -1.349 1.00 43.32 H new ATOM 0 HA LYS A 49 -3.690 21.365 -0.493 1.00 20.41 H new ATOM 0 HB2 LYS A 49 -5.409 19.405 0.587 1.00 1.22 H new ATOM 0 HB3 LYS A 49 -3.801 18.883 1.047 1.00 1.22 H new ATOM 0 HG2 LYS A 49 -3.349 20.971 2.171 1.00 65.44 H new ATOM 0 HG3 LYS A 49 -4.791 21.714 1.508 1.00 65.44 H new ATOM 0 HD2 LYS A 49 -6.226 20.192 2.791 1.00 24.30 H new ATOM 0 HD3 LYS A 49 -4.830 19.299 3.361 1.00 24.30 H new ATOM 0 HE2 LYS A 49 -4.059 21.707 4.229 1.00 42.30 H new ATOM 0 HE3 LYS A 49 -5.775 22.048 4.142 1.00 42.30 H new ATOM 0 HZ1 LYS A 49 -5.153 21.238 6.322 1.00 73.43 H new ATOM 0 HZ2 LYS A 49 -6.201 20.134 5.571 1.00 73.43 H new ATOM 0 HZ3 LYS A 49 -4.538 19.803 5.656 1.00 73.43 H new ATOM 727 N ALA A 50 -2.522 18.460 -1.484 1.00 0.12 N ATOM 728 CA ALA A 50 -1.303 17.740 -1.829 1.00 22.34 C ATOM 729 C ALA A 50 -0.887 18.022 -3.268 1.00 5.34 C ATOM 730 O ALA A 50 0.298 17.991 -3.600 1.00 14.02 O ATOM 731 CB ALA A 50 -1.494 16.245 -1.616 1.00 40.13 C ATOM 0 H ALA A 50 -3.383 17.981 -1.746 1.00 0.12 H new ATOM 0 HA ALA A 50 -0.506 18.090 -1.173 1.00 22.34 H new ATOM 0 HB1 ALA A 50 -0.575 15.720 -1.878 1.00 40.13 H new ATOM 0 HB2 ALA A 50 -1.736 16.054 -0.570 1.00 40.13 H new ATOM 0 HB3 ALA A 50 -2.308 15.889 -2.247 1.00 40.13 H new ATOM 737 N GLY A 51 -1.869 18.299 -4.120 1.00 24.32 N ATOM 738 CA GLY A 51 -1.584 18.582 -5.515 1.00 30.44 C ATOM 739 C GLY A 51 -2.029 17.464 -6.436 1.00 31.21 C ATOM 740 O GLY A 51 -1.326 17.114 -7.385 1.00 54.32 O ATOM 0 H GLY A 51 -2.857 18.333 -3.869 1.00 24.32 H new ATOM 0 HA2 GLY A 51 -2.083 19.507 -5.804 1.00 30.44 H new ATOM 0 HA3 GLY A 51 -0.513 18.745 -5.638 1.00 30.44 H new ATOM 744 N PHE A 52 -3.200 16.900 -6.157 1.00 45.42 N ATOM 745 CA PHE A 52 -3.737 15.813 -6.967 1.00 52.30 C ATOM 746 C PHE A 52 -5.262 15.863 -7.000 1.00 54.12 C ATOM 747 O PHE A 52 -5.948 15.184 -6.235 1.00 44.23 O ATOM 748 CB PHE A 52 -3.272 14.463 -6.419 1.00 63.31 C ATOM 749 CG PHE A 52 -1.792 14.392 -6.177 1.00 45.23 C ATOM 750 CD1 PHE A 52 -1.247 14.861 -4.992 1.00 62.21 C ATOM 751 CD2 PHE A 52 -0.945 13.857 -7.134 1.00 4.51 C ATOM 752 CE1 PHE A 52 0.116 14.797 -4.766 1.00 21.31 C ATOM 753 CE2 PHE A 52 0.419 13.790 -6.914 1.00 50.31 C ATOM 754 CZ PHE A 52 0.950 14.262 -5.729 1.00 34.42 C ATOM 0 H PHE A 52 -3.795 17.178 -5.376 1.00 45.42 H new ATOM 0 HA PHE A 52 -3.364 15.932 -7.984 1.00 52.30 H new ATOM 0 HB2 PHE A 52 -3.795 14.260 -5.485 1.00 63.31 H new ATOM 0 HB3 PHE A 52 -3.555 13.678 -7.120 1.00 63.31 H new ATOM 0 HD1 PHE A 52 -1.894 15.281 -4.236 1.00 62.21 H new ATOM 0 HD2 PHE A 52 -1.355 13.488 -8.063 1.00 4.51 H new ATOM 0 HE1 PHE A 52 0.528 15.165 -3.838 1.00 21.31 H new ATOM 0 HE2 PHE A 52 1.068 13.369 -7.668 1.00 50.31 H new ATOM 0 HZ PHE A 52 2.015 14.213 -5.556 1.00 34.42 H new ATOM 764 N PRO A 53 -5.807 16.686 -7.908 1.00 62.15 N ATOM 765 CA PRO A 53 -7.256 16.845 -8.065 1.00 62.13 C ATOM 766 C PRO A 53 -7.915 15.601 -8.652 1.00 30.33 C ATOM 767 O PRO A 53 -9.131 15.559 -8.837 1.00 54.21 O ATOM 768 CB PRO A 53 -7.381 18.023 -9.033 1.00 12.21 C ATOM 769 CG PRO A 53 -6.106 18.019 -9.804 1.00 31.23 C ATOM 770 CD PRO A 53 -5.050 17.524 -8.853 1.00 75.13 C ATOM 0 HA PRO A 53 -7.754 17.007 -7.109 1.00 62.13 H new ATOM 0 HB2 PRO A 53 -8.242 17.904 -9.691 1.00 12.21 H new ATOM 0 HB3 PRO A 53 -7.516 18.963 -8.497 1.00 12.21 H new ATOM 0 HG2 PRO A 53 -6.180 17.371 -10.677 1.00 31.23 H new ATOM 0 HG3 PRO A 53 -5.866 19.018 -10.168 1.00 31.23 H new ATOM 0 HD2 PRO A 53 -4.280 16.951 -9.370 1.00 75.13 H new ATOM 0 HD3 PRO A 53 -4.548 18.348 -8.346 1.00 75.13 H new ATOM 778 N LYS A 54 -7.105 14.588 -8.942 1.00 52.55 N ATOM 779 CA LYS A 54 -7.610 13.342 -9.506 1.00 64.01 C ATOM 780 C LYS A 54 -7.139 12.145 -8.687 1.00 71.02 C ATOM 781 O LYS A 54 -7.578 11.017 -8.911 1.00 5.33 O ATOM 782 CB LYS A 54 -7.150 13.193 -10.959 1.00 24.13 C ATOM 783 CG LYS A 54 -5.667 12.892 -11.099 1.00 14.44 C ATOM 784 CD LYS A 54 -4.852 14.166 -11.250 1.00 44.32 C ATOM 785 CE LYS A 54 -3.411 13.863 -11.632 1.00 72.21 C ATOM 786 NZ LYS A 54 -2.469 14.150 -10.515 1.00 20.42 N ATOM 0 H LYS A 54 -6.096 14.606 -8.796 1.00 52.55 H new ATOM 0 HA LYS A 54 -8.699 13.373 -9.478 1.00 64.01 H new ATOM 0 HB2 LYS A 54 -7.721 12.394 -11.432 1.00 24.13 H new ATOM 0 HB3 LYS A 54 -7.379 14.111 -11.500 1.00 24.13 H new ATOM 0 HG2 LYS A 54 -5.323 12.340 -10.225 1.00 14.44 H new ATOM 0 HG3 LYS A 54 -5.505 12.250 -11.965 1.00 14.44 H new ATOM 0 HD2 LYS A 54 -5.305 14.801 -12.011 1.00 44.32 H new ATOM 0 HD3 LYS A 54 -4.872 14.725 -10.315 1.00 44.32 H new ATOM 0 HE2 LYS A 54 -3.324 12.815 -11.920 1.00 72.21 H new ATOM 0 HE3 LYS A 54 -3.134 14.457 -12.503 1.00 72.21 H new ATOM 0 HZ1 LYS A 54 -1.498 13.931 -10.815 1.00 20.42 H new ATOM 0 HZ2 LYS A 54 -2.533 15.155 -10.257 1.00 20.42 H new ATOM 0 HZ3 LYS A 54 -2.718 13.565 -9.692 1.00 20.42 H new ATOM 800 N GLY A 55 -6.244 12.398 -7.738 1.00 30.44 N ATOM 801 CA GLY A 55 -5.730 11.330 -6.899 1.00 11.22 C ATOM 802 C GLY A 55 -4.690 10.486 -7.607 1.00 25.41 C ATOM 803 O GLY A 55 -4.327 10.763 -8.750 1.00 53.24 O ATOM 0 H GLY A 55 -5.865 13.323 -7.535 1.00 30.44 H new ATOM 0 HA2 GLY A 55 -5.293 11.759 -5.997 1.00 11.22 H new ATOM 0 HA3 GLY A 55 -6.555 10.693 -6.581 1.00 11.22 H new ATOM 807 N VAL A 56 -4.206 9.450 -6.927 1.00 13.40 N ATOM 808 CA VAL A 56 -3.201 8.563 -7.498 1.00 72.10 C ATOM 809 C VAL A 56 -3.394 7.131 -7.014 1.00 22.24 C ATOM 810 O VAL A 56 -3.882 6.899 -5.908 1.00 10.20 O ATOM 811 CB VAL A 56 -1.775 9.026 -7.142 1.00 52.44 C ATOM 812 CG1 VAL A 56 -1.439 8.661 -5.704 1.00 62.42 C ATOM 813 CG2 VAL A 56 -0.764 8.425 -8.105 1.00 72.32 C ATOM 0 H VAL A 56 -4.495 9.205 -5.980 1.00 13.40 H new ATOM 0 HA VAL A 56 -3.326 8.598 -8.580 1.00 72.10 H new ATOM 0 HB VAL A 56 -1.729 10.111 -7.236 1.00 52.44 H new ATOM 0 HG11 VAL A 56 -0.428 8.996 -5.470 1.00 62.42 H new ATOM 0 HG12 VAL A 56 -2.146 9.145 -5.031 1.00 62.42 H new ATOM 0 HG13 VAL A 56 -1.501 7.580 -5.579 1.00 62.42 H new ATOM 0 HG21 VAL A 56 0.238 8.763 -7.839 1.00 72.32 H new ATOM 0 HG22 VAL A 56 -0.808 7.337 -8.047 1.00 72.32 H new ATOM 0 HG23 VAL A 56 -0.996 8.743 -9.121 1.00 72.32 H new ATOM 823 N ALA A 57 -3.005 6.172 -7.848 1.00 61.30 N ATOM 824 CA ALA A 57 -3.133 4.761 -7.503 1.00 53.51 C ATOM 825 C ALA A 57 -1.804 4.032 -7.672 1.00 13.52 C ATOM 826 O ALA A 57 -0.998 4.382 -8.534 1.00 40.24 O ATOM 827 CB ALA A 57 -4.209 4.105 -8.356 1.00 43.11 C ATOM 0 H ALA A 57 -2.599 6.346 -8.767 1.00 61.30 H new ATOM 0 HA ALA A 57 -3.424 4.693 -6.455 1.00 53.51 H new ATOM 0 HB1 ALA A 57 -4.294 3.052 -8.088 1.00 43.11 H new ATOM 0 HB2 ALA A 57 -5.164 4.602 -8.183 1.00 43.11 H new ATOM 0 HB3 ALA A 57 -3.941 4.191 -9.409 1.00 43.11 H new ATOM 833 N VAL A 58 -1.581 3.019 -6.842 1.00 23.44 N ATOM 834 CA VAL A 58 -0.349 2.241 -6.899 1.00 34.13 C ATOM 835 C VAL A 58 -0.640 0.746 -6.839 1.00 72.33 C ATOM 836 O VAL A 58 -1.177 0.245 -5.850 1.00 73.34 O ATOM 837 CB VAL A 58 0.604 2.613 -5.746 1.00 50.22 C ATOM 838 CG1 VAL A 58 1.828 1.710 -5.754 1.00 24.11 C ATOM 839 CG2 VAL A 58 1.010 4.075 -5.843 1.00 53.41 C ATOM 0 H VAL A 58 -2.237 2.717 -6.122 1.00 23.44 H new ATOM 0 HA VAL A 58 0.131 2.478 -7.849 1.00 34.13 H new ATOM 0 HB VAL A 58 0.080 2.467 -4.802 1.00 50.22 H new ATOM 0 HG11 VAL A 58 2.490 1.987 -4.933 1.00 24.11 H new ATOM 0 HG12 VAL A 58 1.516 0.673 -5.634 1.00 24.11 H new ATOM 0 HG13 VAL A 58 2.357 1.822 -6.700 1.00 24.11 H new ATOM 0 HG21 VAL A 58 1.683 4.321 -5.021 1.00 53.41 H new ATOM 0 HG22 VAL A 58 1.517 4.250 -6.792 1.00 53.41 H new ATOM 0 HG23 VAL A 58 0.122 4.704 -5.785 1.00 53.41 H new ATOM 849 N VAL A 59 -0.282 0.036 -7.905 1.00 34.12 N ATOM 850 CA VAL A 59 -0.505 -1.404 -7.975 1.00 5.50 C ATOM 851 C VAL A 59 0.636 -2.168 -7.312 1.00 45.23 C ATOM 852 O VAL A 59 1.726 -1.629 -7.115 1.00 4.24 O ATOM 853 CB VAL A 59 -0.648 -1.880 -9.433 1.00 15.55 C ATOM 854 CG1 VAL A 59 -0.861 -3.385 -9.485 1.00 12.42 C ATOM 855 CG2 VAL A 59 -1.790 -1.147 -10.121 1.00 24.13 C ATOM 0 H VAL A 59 0.163 0.434 -8.732 1.00 34.12 H new ATOM 0 HA VAL A 59 -1.434 -1.607 -7.442 1.00 5.50 H new ATOM 0 HB VAL A 59 0.275 -1.650 -9.965 1.00 15.55 H new ATOM 0 HG11 VAL A 59 -0.960 -3.703 -10.523 1.00 12.42 H new ATOM 0 HG12 VAL A 59 -0.008 -3.889 -9.031 1.00 12.42 H new ATOM 0 HG13 VAL A 59 -1.768 -3.643 -8.939 1.00 12.42 H new ATOM 0 HG21 VAL A 59 -1.878 -1.495 -11.150 1.00 24.13 H new ATOM 0 HG22 VAL A 59 -2.721 -1.345 -9.590 1.00 24.13 H new ATOM 0 HG23 VAL A 59 -1.590 -0.076 -10.116 1.00 24.13 H new ATOM 865 N LEU A 60 0.380 -3.426 -6.973 1.00 21.01 N ATOM 866 CA LEU A 60 1.386 -4.266 -6.332 1.00 72.10 C ATOM 867 C LEU A 60 1.080 -5.744 -6.551 1.00 42.01 C ATOM 868 O LEU A 60 0.432 -6.383 -5.722 1.00 21.55 O ATOM 869 CB LEU A 60 1.454 -3.963 -4.834 1.00 74.41 C ATOM 870 CG LEU A 60 1.728 -2.508 -4.456 1.00 5.20 C ATOM 871 CD1 LEU A 60 1.451 -2.279 -2.978 1.00 42.52 C ATOM 872 CD2 LEU A 60 3.163 -2.129 -4.795 1.00 63.45 C ATOM 0 H LEU A 60 -0.516 -3.887 -7.131 1.00 21.01 H new ATOM 0 HA LEU A 60 2.352 -4.043 -6.785 1.00 72.10 H new ATOM 0 HB2 LEU A 60 0.510 -4.264 -4.380 1.00 74.41 H new ATOM 0 HB3 LEU A 60 2.233 -4.585 -4.393 1.00 74.41 H new ATOM 0 HG LEU A 60 1.058 -1.871 -5.034 1.00 5.20 H new ATOM 0 HD11 LEU A 60 1.652 -1.237 -2.727 1.00 42.52 H new ATOM 0 HD12 LEU A 60 0.407 -2.509 -2.763 1.00 42.52 H new ATOM 0 HD13 LEU A 60 2.095 -2.926 -2.383 1.00 42.52 H new ATOM 0 HD21 LEU A 60 3.340 -1.089 -4.519 1.00 63.45 H new ATOM 0 HD22 LEU A 60 3.849 -2.772 -4.244 1.00 63.45 H new ATOM 0 HD23 LEU A 60 3.329 -2.253 -5.865 1.00 63.45 H new ATOM 884 N ASP A 61 1.551 -6.281 -7.671 1.00 33.25 N ATOM 885 CA ASP A 61 1.330 -7.686 -7.996 1.00 62.03 C ATOM 886 C ASP A 61 2.109 -8.593 -7.049 1.00 3.52 C ATOM 887 O ASP A 61 3.328 -8.731 -7.166 1.00 73.42 O ATOM 888 CB ASP A 61 1.741 -7.965 -9.443 1.00 21.43 C ATOM 889 CG ASP A 61 1.854 -9.449 -9.736 1.00 54.10 C ATOM 890 OD1 ASP A 61 1.426 -10.257 -8.884 1.00 2.22 O ATOM 891 OD2 ASP A 61 2.369 -9.802 -10.816 1.00 61.24 O ATOM 0 H ASP A 61 2.088 -5.766 -8.369 1.00 33.25 H new ATOM 0 HA ASP A 61 0.267 -7.898 -7.879 1.00 62.03 H new ATOM 0 HB2 ASP A 61 1.011 -7.519 -10.118 1.00 21.43 H new ATOM 0 HB3 ASP A 61 2.698 -7.484 -9.645 1.00 21.43 H new ATOM 896 N LEU A 62 1.399 -9.206 -6.109 1.00 13.10 N ATOM 897 CA LEU A 62 2.023 -10.099 -5.139 1.00 22.41 C ATOM 898 C LEU A 62 1.600 -11.545 -5.379 1.00 22.11 C ATOM 899 O LEU A 62 0.410 -11.845 -5.475 1.00 70.01 O ATOM 900 CB LEU A 62 1.655 -9.677 -3.716 1.00 42.23 C ATOM 901 CG LEU A 62 1.507 -8.173 -3.480 1.00 33.54 C ATOM 902 CD1 LEU A 62 1.219 -7.890 -2.014 1.00 33.24 C ATOM 903 CD2 LEU A 62 2.758 -7.437 -3.931 1.00 44.54 C ATOM 0 H LEU A 62 0.391 -9.101 -5.998 1.00 13.10 H new ATOM 0 HA LEU A 62 3.104 -10.031 -5.263 1.00 22.41 H new ATOM 0 HB2 LEU A 62 0.717 -10.161 -3.446 1.00 42.23 H new ATOM 0 HB3 LEU A 62 2.417 -10.058 -3.037 1.00 42.23 H new ATOM 0 HG LEU A 62 0.665 -7.812 -4.071 1.00 33.54 H new ATOM 0 HD11 LEU A 62 1.117 -6.815 -1.864 1.00 33.24 H new ATOM 0 HD12 LEU A 62 0.294 -8.387 -1.723 1.00 33.24 H new ATOM 0 HD13 LEU A 62 2.040 -8.265 -1.403 1.00 33.24 H new ATOM 0 HD21 LEU A 62 2.635 -6.368 -3.756 1.00 44.54 H new ATOM 0 HD22 LEU A 62 3.617 -7.800 -3.367 1.00 44.54 H new ATOM 0 HD23 LEU A 62 2.921 -7.614 -4.994 1.00 44.54 H new ATOM 915 N TRP A 63 2.580 -12.435 -5.471 1.00 24.41 N ATOM 916 CA TRP A 63 2.309 -13.851 -5.697 1.00 62.01 C ATOM 917 C TRP A 63 2.841 -14.698 -4.547 1.00 31.13 C ATOM 918 O TRP A 63 4.045 -14.936 -4.444 1.00 32.50 O ATOM 919 CB TRP A 63 2.936 -14.308 -7.016 1.00 12.30 C ATOM 920 CG TRP A 63 2.111 -13.958 -8.218 1.00 2.32 C ATOM 921 CD1 TRP A 63 2.510 -13.228 -9.300 1.00 44.55 C ATOM 922 CD2 TRP A 63 0.747 -14.321 -8.458 1.00 24.55 C ATOM 923 NE1 TRP A 63 1.477 -13.116 -10.199 1.00 54.32 N ATOM 924 CE2 TRP A 63 0.385 -13.779 -9.705 1.00 52.02 C ATOM 925 CE3 TRP A 63 -0.201 -15.056 -7.741 1.00 14.43 C ATOM 926 CZ2 TRP A 63 -0.887 -13.947 -10.248 1.00 44.43 C ATOM 927 CZ3 TRP A 63 -1.463 -15.221 -8.281 1.00 1.32 C ATOM 928 CH2 TRP A 63 -1.796 -14.669 -9.524 1.00 42.52 C ATOM 0 H TRP A 63 3.570 -12.202 -5.393 1.00 24.41 H new ATOM 0 HA TRP A 63 1.228 -13.984 -5.751 1.00 62.01 H new ATOM 0 HB2 TRP A 63 3.923 -13.856 -7.117 1.00 12.30 H new ATOM 0 HB3 TRP A 63 3.082 -15.388 -6.986 1.00 12.30 H new ATOM 0 HD1 TRP A 63 3.493 -12.801 -9.430 1.00 44.55 H new ATOM 0 HE1 TRP A 63 1.517 -12.620 -11.089 1.00 54.32 H new ATOM 0 HE3 TRP A 63 0.048 -15.487 -6.783 1.00 14.43 H new ATOM 0 HZ2 TRP A 63 -1.146 -13.522 -11.207 1.00 44.43 H new ATOM 0 HZ3 TRP A 63 -2.205 -15.785 -7.735 1.00 1.32 H new ATOM 0 HH2 TRP A 63 -2.790 -14.816 -9.919 1.00 42.52 H new ATOM 939 N HIS A 64 1.938 -15.150 -3.683 1.00 34.33 N ATOM 940 CA HIS A 64 2.318 -15.972 -2.539 1.00 11.23 C ATOM 941 C HIS A 64 3.204 -15.186 -1.576 1.00 62.34 C ATOM 942 O HIS A 64 4.244 -15.675 -1.136 1.00 33.01 O ATOM 943 CB HIS A 64 3.046 -17.231 -3.009 1.00 22.13 C ATOM 944 CG HIS A 64 2.281 -18.021 -4.026 1.00 1.11 C ATOM 945 ND1 HIS A 64 1.765 -17.658 -5.224 1.00 25.44 N flip ATOM 946 CD2 HIS A 64 1.966 -19.353 -3.864 1.00 4.42 C flip ATOM 947 CE1 HIS A 64 1.156 -18.767 -5.758 1.00 70.45 C flip ATOM 948 NE2 HIS A 64 1.292 -19.776 -4.917 1.00 3.10 N flip ATOM 0 H HIS A 64 0.938 -14.961 -3.753 1.00 34.33 H new ATOM 0 HA HIS A 64 1.409 -16.263 -2.013 1.00 11.23 H new ATOM 0 HB2 HIS A 64 4.010 -16.947 -3.432 1.00 22.13 H new ATOM 0 HB3 HIS A 64 3.251 -17.866 -2.147 1.00 22.13 H new ATOM 0 HD2 HIS A 64 2.230 -19.957 -3.008 1.00 4.42 H new ATOM 0 HE1 HIS A 64 0.649 -18.807 -6.711 1.00 70.45 H new ATOM 0 HE2 HIS A 64 0.937 -20.722 -5.057 1.00 3.10 H new ATOM 957 N GLY A 65 2.786 -13.966 -1.256 1.00 34.42 N ATOM 958 CA GLY A 65 3.554 -13.133 -0.349 1.00 21.42 C ATOM 959 C GLY A 65 4.691 -12.413 -1.045 1.00 41.15 C ATOM 960 O GLY A 65 5.136 -11.358 -0.594 1.00 63.32 O ATOM 0 H GLY A 65 1.929 -13.539 -1.608 1.00 34.42 H new ATOM 0 HA2 GLY A 65 2.893 -12.400 0.114 1.00 21.42 H new ATOM 0 HA3 GLY A 65 3.957 -13.751 0.454 1.00 21.42 H new ATOM 964 N ALA A 66 5.165 -12.985 -2.147 1.00 54.34 N ATOM 965 CA ALA A 66 6.257 -12.390 -2.908 1.00 71.30 C ATOM 966 C ALA A 66 5.750 -11.278 -3.820 1.00 21.21 C ATOM 967 O ALA A 66 4.558 -11.201 -4.118 1.00 21.21 O ATOM 968 CB ALA A 66 6.975 -13.457 -3.722 1.00 5.03 C ATOM 0 H ALA A 66 4.810 -13.860 -2.533 1.00 54.34 H new ATOM 0 HA ALA A 66 6.962 -11.951 -2.202 1.00 71.30 H new ATOM 0 HB1 ALA A 66 7.788 -12.999 -4.285 1.00 5.03 H new ATOM 0 HB2 ALA A 66 7.380 -14.215 -3.052 1.00 5.03 H new ATOM 0 HB3 ALA A 66 6.272 -13.922 -4.413 1.00 5.03 H new ATOM 974 N CYS A 67 6.663 -10.417 -4.259 1.00 75.52 N ATOM 975 CA CYS A 67 6.308 -9.309 -5.136 1.00 41.41 C ATOM 976 C CYS A 67 6.859 -9.529 -6.542 1.00 21.40 C ATOM 977 O CYS A 67 8.047 -9.800 -6.718 1.00 64.41 O ATOM 978 CB CYS A 67 6.840 -7.991 -4.569 1.00 24.35 C ATOM 979 SG CYS A 67 5.801 -6.545 -4.946 1.00 42.25 S ATOM 0 H CYS A 67 7.654 -10.466 -4.021 1.00 75.52 H new ATOM 0 HA CYS A 67 5.221 -9.260 -5.194 1.00 41.41 H new ATOM 0 HB2 CYS A 67 6.934 -8.085 -3.487 1.00 24.35 H new ATOM 0 HB3 CYS A 67 7.842 -7.817 -4.962 1.00 24.35 H new ATOM 984 N ARG A 68 5.988 -9.410 -7.539 1.00 23.43 N ATOM 985 CA ARG A 68 6.387 -9.597 -8.928 1.00 25.31 C ATOM 986 C ARG A 68 6.661 -8.255 -9.601 1.00 13.34 C ATOM 987 O ARG A 68 7.759 -8.010 -10.098 1.00 25.21 O ATOM 988 CB ARG A 68 5.301 -10.352 -9.697 1.00 21.44 C ATOM 989 CG ARG A 68 5.706 -10.729 -11.112 1.00 51.14 C ATOM 990 CD ARG A 68 6.420 -12.072 -11.149 1.00 15.13 C ATOM 991 NE ARG A 68 7.466 -12.107 -12.167 1.00 23.32 N ATOM 992 CZ ARG A 68 8.150 -13.202 -12.479 1.00 63.31 C ATOM 993 NH1 ARG A 68 7.899 -14.345 -11.856 1.00 2.32 N ATOM 994 NH2 ARG A 68 9.088 -13.155 -13.417 1.00 65.00 N ATOM 0 H ARG A 68 5.002 -9.185 -7.410 1.00 23.43 H new ATOM 0 HA ARG A 68 7.305 -10.184 -8.939 1.00 25.31 H new ATOM 0 HB2 ARG A 68 5.043 -11.258 -9.149 1.00 21.44 H new ATOM 0 HB3 ARG A 68 4.402 -9.737 -9.737 1.00 21.44 H new ATOM 0 HG2 ARG A 68 4.821 -10.769 -11.746 1.00 51.14 H new ATOM 0 HG3 ARG A 68 6.358 -9.958 -11.523 1.00 51.14 H new ATOM 0 HD2 ARG A 68 6.858 -12.277 -10.172 1.00 15.13 H new ATOM 0 HD3 ARG A 68 5.696 -12.862 -11.346 1.00 15.13 H new ATOM 0 HE ARG A 68 7.683 -11.244 -12.665 1.00 23.32 H new ATOM 0 HH11 ARG A 68 7.179 -14.385 -11.135 1.00 2.32 H new ATOM 0 HH12 ARG A 68 8.426 -15.184 -12.098 1.00 2.32 H new ATOM 0 HH21 ARG A 68 9.284 -12.278 -13.899 1.00 65.00 H new ATOM 0 HH22 ARG A 68 9.613 -13.996 -13.656 1.00 65.00 H new ATOM 1008 N GLY A 69 5.652 -7.388 -9.612 1.00 44.23 N ATOM 1009 CA GLY A 69 5.804 -6.082 -10.227 1.00 0.24 C ATOM 1010 C GLY A 69 4.849 -5.056 -9.651 1.00 15.20 C ATOM 1011 O GLY A 69 4.016 -5.380 -8.804 1.00 52.32 O ATOM 0 H GLY A 69 4.733 -7.567 -9.206 1.00 44.23 H new ATOM 0 HA2 GLY A 69 6.829 -5.737 -10.091 1.00 0.24 H new ATOM 0 HA3 GLY A 69 5.636 -6.168 -11.301 1.00 0.24 H new ATOM 1015 N ALA A 70 4.970 -3.815 -10.108 1.00 54.23 N ATOM 1016 CA ALA A 70 4.110 -2.738 -9.633 1.00 72.24 C ATOM 1017 C ALA A 70 4.022 -1.613 -10.658 1.00 51.55 C ATOM 1018 O ALA A 70 4.968 -1.363 -11.405 1.00 61.15 O ATOM 1019 CB ALA A 70 4.619 -2.204 -8.303 1.00 34.12 C ATOM 0 H ALA A 70 5.656 -3.530 -10.807 1.00 54.23 H new ATOM 0 HA ALA A 70 3.108 -3.143 -9.490 1.00 72.24 H new ATOM 0 HB1 ALA A 70 3.967 -1.400 -7.960 1.00 34.12 H new ATOM 0 HB2 ALA A 70 4.623 -3.007 -7.566 1.00 34.12 H new ATOM 0 HB3 ALA A 70 5.632 -1.821 -8.428 1.00 34.12 H new ATOM 1025 N LYS A 71 2.880 -0.935 -10.689 1.00 14.11 N ATOM 1026 CA LYS A 71 2.667 0.166 -11.623 1.00 11.13 C ATOM 1027 C LYS A 71 1.736 1.216 -11.023 1.00 4.14 C ATOM 1028 O LYS A 71 0.708 0.884 -10.436 1.00 74.10 O ATOM 1029 CB LYS A 71 2.083 -0.358 -12.936 1.00 33.25 C ATOM 1030 CG LYS A 71 0.833 -1.203 -12.752 1.00 24.12 C ATOM 1031 CD LYS A 71 0.120 -1.438 -14.073 1.00 52.32 C ATOM 1032 CE LYS A 71 -1.000 -0.430 -14.288 1.00 63.04 C ATOM 1033 NZ LYS A 71 -2.247 -1.082 -14.773 1.00 21.23 N ATOM 0 H LYS A 71 2.087 -1.128 -10.078 1.00 14.11 H new ATOM 0 HA LYS A 71 3.632 0.632 -11.822 1.00 11.13 H new ATOM 0 HB2 LYS A 71 1.848 0.488 -13.582 1.00 33.25 H new ATOM 0 HB3 LYS A 71 2.840 -0.951 -13.450 1.00 33.25 H new ATOM 0 HG2 LYS A 71 1.102 -2.161 -12.307 1.00 24.12 H new ATOM 0 HG3 LYS A 71 0.157 -0.707 -12.056 1.00 24.12 H new ATOM 0 HD2 LYS A 71 0.836 -1.368 -14.892 1.00 52.32 H new ATOM 0 HD3 LYS A 71 -0.289 -2.448 -14.092 1.00 52.32 H new ATOM 0 HE2 LYS A 71 -1.203 0.092 -13.353 1.00 63.04 H new ATOM 0 HE3 LYS A 71 -0.679 0.321 -15.009 1.00 63.04 H new ATOM 0 HZ1 LYS A 71 -2.986 -0.362 -14.907 1.00 21.23 H new ATOM 0 HZ2 LYS A 71 -2.060 -1.559 -15.678 1.00 21.23 H new ATOM 0 HZ3 LYS A 71 -2.568 -1.781 -14.073 1.00 21.23 H new ATOM 1047 N ALA A 72 2.106 2.484 -11.175 1.00 61.44 N ATOM 1048 CA ALA A 72 1.302 3.581 -10.653 1.00 23.01 C ATOM 1049 C ALA A 72 0.426 4.188 -11.743 1.00 64.23 C ATOM 1050 O ALA A 72 0.852 4.330 -12.889 1.00 41.43 O ATOM 1051 CB ALA A 72 2.200 4.646 -10.040 1.00 53.13 C ATOM 0 H ALA A 72 2.957 2.776 -11.655 1.00 61.44 H new ATOM 0 HA ALA A 72 0.647 3.183 -9.878 1.00 23.01 H new ATOM 0 HB1 ALA A 72 1.587 5.460 -9.654 1.00 53.13 H new ATOM 0 HB2 ALA A 72 2.779 4.209 -9.226 1.00 53.13 H new ATOM 0 HB3 ALA A 72 2.878 5.032 -10.801 1.00 53.13 H new ATOM 1057 N VAL A 73 -0.802 4.543 -11.379 1.00 53.23 N ATOM 1058 CA VAL A 73 -1.740 5.135 -12.326 1.00 5.33 C ATOM 1059 C VAL A 73 -2.677 6.116 -11.631 1.00 63.34 C ATOM 1060 O VAL A 73 -3.374 5.758 -10.683 1.00 71.11 O ATOM 1061 CB VAL A 73 -2.578 4.054 -13.035 1.00 43.53 C ATOM 1062 CG1 VAL A 73 -2.957 2.948 -12.062 1.00 52.53 C ATOM 1063 CG2 VAL A 73 -3.818 4.672 -13.664 1.00 1.13 C ATOM 0 H VAL A 73 -1.171 4.431 -10.435 1.00 53.23 H new ATOM 0 HA VAL A 73 -1.147 5.669 -13.068 1.00 5.33 H new ATOM 0 HB VAL A 73 -1.976 3.613 -13.830 1.00 43.53 H new ATOM 0 HG11 VAL A 73 -3.549 2.194 -12.581 1.00 52.53 H new ATOM 0 HG12 VAL A 73 -2.053 2.489 -11.663 1.00 52.53 H new ATOM 0 HG13 VAL A 73 -3.542 3.368 -11.244 1.00 52.53 H new ATOM 0 HG21 VAL A 73 -4.399 3.895 -14.161 1.00 1.13 H new ATOM 0 HG22 VAL A 73 -4.425 5.139 -12.889 1.00 1.13 H new ATOM 0 HG23 VAL A 73 -3.519 5.425 -14.394 1.00 1.13 H new ATOM 1073 N GLU A 74 -2.689 7.356 -12.112 1.00 1.25 N ATOM 1074 CA GLU A 74 -3.540 8.389 -11.536 1.00 35.23 C ATOM 1075 C GLU A 74 -4.887 8.446 -12.252 1.00 71.31 C ATOM 1076 O GLU A 74 -4.948 8.603 -13.471 1.00 5.11 O ATOM 1077 CB GLU A 74 -2.852 9.753 -11.614 1.00 23.35 C ATOM 1078 CG GLU A 74 -2.531 10.192 -13.033 1.00 21.44 C ATOM 1079 CD GLU A 74 -1.069 10.550 -13.216 1.00 42.24 C ATOM 1080 OE1 GLU A 74 -0.206 9.797 -12.717 1.00 53.01 O ATOM 1081 OE2 GLU A 74 -0.788 11.584 -13.857 1.00 52.12 O ATOM 0 H GLU A 74 -2.119 7.668 -12.898 1.00 1.25 H new ATOM 0 HA GLU A 74 -3.713 8.137 -10.490 1.00 35.23 H new ATOM 0 HB2 GLU A 74 -3.493 10.501 -11.147 1.00 23.35 H new ATOM 0 HB3 GLU A 74 -1.929 9.719 -11.036 1.00 23.35 H new ATOM 0 HG2 GLU A 74 -2.795 9.392 -13.725 1.00 21.44 H new ATOM 0 HG3 GLU A 74 -3.147 11.053 -13.291 1.00 21.44 H new ATOM 1120 N GLU A 78 -6.570 -0.803 -11.606 1.00 72.24 N ATOM 1121 CA GLU A 78 -7.186 -2.123 -11.699 1.00 1.43 C ATOM 1122 C GLU A 78 -6.357 -3.163 -10.951 1.00 22.14 C ATOM 1123 O GLU A 78 -5.144 -3.258 -11.138 1.00 33.21 O ATOM 1124 CB GLU A 78 -7.341 -2.536 -13.164 1.00 3.01 C ATOM 1125 CG GLU A 78 -7.929 -3.925 -13.346 1.00 3.13 C ATOM 1126 CD GLU A 78 -6.961 -4.886 -14.008 1.00 3.23 C ATOM 1127 OE1 GLU A 78 -5.746 -4.786 -13.735 1.00 45.52 O ATOM 1128 OE2 GLU A 78 -7.416 -5.737 -14.799 1.00 53.24 O ATOM 0 HA GLU A 78 -8.172 -2.069 -11.238 1.00 1.43 H new ATOM 0 HB2 GLU A 78 -7.978 -1.812 -13.671 1.00 3.01 H new ATOM 0 HB3 GLU A 78 -6.366 -2.497 -13.649 1.00 3.01 H new ATOM 0 HG2 GLU A 78 -8.221 -4.322 -12.374 1.00 3.13 H new ATOM 0 HG3 GLU A 78 -8.835 -3.856 -13.948 1.00 3.13 H new ATOM 1135 N ALA A 79 -7.022 -3.940 -10.102 1.00 4.14 N ATOM 1136 CA ALA A 79 -6.348 -4.975 -9.325 1.00 41.45 C ATOM 1137 C ALA A 79 -7.353 -5.824 -8.554 1.00 65.02 C ATOM 1138 O ALA A 79 -8.511 -5.440 -8.395 1.00 3.42 O ATOM 1139 CB ALA A 79 -5.342 -4.348 -8.372 1.00 12.35 C ATOM 0 H ALA A 79 -8.026 -3.873 -9.934 1.00 4.14 H new ATOM 0 HA ALA A 79 -5.817 -5.628 -10.018 1.00 41.45 H new ATOM 0 HB1 ALA A 79 -4.847 -5.132 -7.799 1.00 12.35 H new ATOM 0 HB2 ALA A 79 -4.599 -3.791 -8.942 1.00 12.35 H new ATOM 0 HB3 ALA A 79 -5.859 -3.672 -7.691 1.00 12.35 H new ATOM 1145 N ASP A 80 -6.901 -6.980 -8.080 1.00 74.14 N ATOM 1146 CA ASP A 80 -7.762 -7.885 -7.326 1.00 42.30 C ATOM 1147 C ASP A 80 -8.196 -7.248 -6.009 1.00 33.05 C ATOM 1148 O ASP A 80 -9.142 -7.707 -5.369 1.00 0.22 O ATOM 1149 CB ASP A 80 -7.036 -9.204 -7.055 1.00 13.44 C ATOM 1150 CG ASP A 80 -7.480 -10.311 -7.990 1.00 44.22 C ATOM 1151 OD1 ASP A 80 -8.704 -10.491 -8.157 1.00 74.10 O ATOM 1152 OD2 ASP A 80 -6.603 -10.998 -8.555 1.00 45.31 O ATOM 0 H ASP A 80 -5.945 -7.312 -8.204 1.00 74.14 H new ATOM 0 HA ASP A 80 -8.652 -8.085 -7.923 1.00 42.30 H new ATOM 0 HB2 ASP A 80 -5.962 -9.052 -7.160 1.00 13.44 H new ATOM 0 HB3 ASP A 80 -7.215 -9.509 -6.024 1.00 13.44 H new ATOM 1157 N PHE A 81 -7.498 -6.190 -5.610 1.00 75.12 N ATOM 1158 CA PHE A 81 -7.812 -5.492 -4.368 1.00 63.12 C ATOM 1159 C PHE A 81 -7.530 -3.997 -4.499 1.00 73.34 C ATOM 1160 O PHE A 81 -6.376 -3.574 -4.550 1.00 64.10 O ATOM 1161 CB PHE A 81 -6.998 -6.076 -3.212 1.00 35.41 C ATOM 1162 CG PHE A 81 -7.423 -7.462 -2.820 1.00 61.54 C ATOM 1163 CD1 PHE A 81 -8.636 -7.676 -2.185 1.00 63.31 C ATOM 1164 CD2 PHE A 81 -6.610 -8.551 -3.088 1.00 63.50 C ATOM 1165 CE1 PHE A 81 -9.029 -8.952 -1.824 1.00 15.54 C ATOM 1166 CE2 PHE A 81 -6.998 -9.829 -2.729 1.00 53.13 C ATOM 1167 CZ PHE A 81 -8.210 -10.029 -2.096 1.00 5.43 C ATOM 0 H PHE A 81 -6.712 -5.797 -6.128 1.00 75.12 H new ATOM 0 HA PHE A 81 -8.874 -5.627 -4.161 1.00 63.12 H new ATOM 0 HB2 PHE A 81 -5.945 -6.093 -3.492 1.00 35.41 H new ATOM 0 HB3 PHE A 81 -7.087 -5.419 -2.347 1.00 35.41 H new ATOM 0 HD1 PHE A 81 -9.281 -6.837 -1.970 1.00 63.31 H new ATOM 0 HD2 PHE A 81 -5.662 -8.400 -3.583 1.00 63.50 H new ATOM 0 HE1 PHE A 81 -9.977 -9.106 -1.329 1.00 15.54 H new ATOM 0 HE2 PHE A 81 -6.355 -10.670 -2.943 1.00 53.13 H new ATOM 0 HZ PHE A 81 -8.516 -11.026 -1.815 1.00 5.43 H new ATOM 1177 N VAL A 82 -8.595 -3.204 -4.554 1.00 11.53 N ATOM 1178 CA VAL A 82 -8.465 -1.758 -4.678 1.00 10.53 C ATOM 1179 C VAL A 82 -9.054 -1.046 -3.465 1.00 43.43 C ATOM 1180 O VAL A 82 -10.246 -1.167 -3.181 1.00 73.03 O ATOM 1181 CB VAL A 82 -9.159 -1.238 -5.951 1.00 64.32 C ATOM 1182 CG1 VAL A 82 -9.126 0.282 -5.996 1.00 65.21 C ATOM 1183 CG2 VAL A 82 -8.508 -1.830 -7.192 1.00 20.24 C ATOM 0 H VAL A 82 -9.558 -3.539 -4.515 1.00 11.53 H new ATOM 0 HA VAL A 82 -7.399 -1.542 -4.740 1.00 10.53 H new ATOM 0 HB VAL A 82 -10.202 -1.554 -5.929 1.00 64.32 H new ATOM 0 HG11 VAL A 82 -9.621 0.630 -6.903 1.00 65.21 H new ATOM 0 HG12 VAL A 82 -9.642 0.683 -5.124 1.00 65.21 H new ATOM 0 HG13 VAL A 82 -8.091 0.624 -5.994 1.00 65.21 H new ATOM 0 HG21 VAL A 82 -9.011 -1.452 -8.082 1.00 20.24 H new ATOM 0 HG22 VAL A 82 -7.456 -1.546 -7.221 1.00 20.24 H new ATOM 0 HG23 VAL A 82 -8.590 -2.917 -7.163 1.00 20.24 H new ATOM 1193 N ILE A 83 -8.212 -0.304 -2.754 1.00 25.23 N ATOM 1194 CA ILE A 83 -8.650 0.427 -1.572 1.00 44.23 C ATOM 1195 C ILE A 83 -8.475 1.931 -1.761 1.00 73.52 C ATOM 1196 O ILE A 83 -7.386 2.403 -2.081 1.00 44.40 O ATOM 1197 CB ILE A 83 -7.874 -0.013 -0.317 1.00 33.44 C ATOM 1198 CG1 ILE A 83 -7.812 -1.541 -0.241 1.00 3.14 C ATOM 1199 CG2 ILE A 83 -8.524 0.558 0.935 1.00 45.11 C ATOM 1200 CD1 ILE A 83 -6.793 -2.054 0.753 1.00 64.55 C ATOM 0 H ILE A 83 -7.223 -0.193 -2.976 1.00 25.23 H new ATOM 0 HA ILE A 83 -9.707 0.199 -1.434 1.00 44.23 H new ATOM 0 HB ILE A 83 -6.856 0.372 -0.382 1.00 33.44 H new ATOM 0 HG12 ILE A 83 -8.796 -1.924 0.029 1.00 3.14 H new ATOM 0 HG13 ILE A 83 -7.576 -1.937 -1.229 1.00 3.14 H new ATOM 0 HG21 ILE A 83 -7.964 0.238 1.814 1.00 45.11 H new ATOM 0 HG22 ILE A 83 -8.524 1.647 0.881 1.00 45.11 H new ATOM 0 HG23 ILE A 83 -9.550 0.199 1.008 1.00 45.11 H new ATOM 0 HD11 ILE A 83 -6.803 -3.144 0.755 1.00 64.55 H new ATOM 0 HD12 ILE A 83 -5.801 -1.701 0.472 1.00 64.55 H new ATOM 0 HD13 ILE A 83 -7.040 -1.687 1.749 1.00 64.55 H new ATOM 1212 N GLU A 84 -9.558 2.677 -1.558 1.00 24.32 N ATOM 1213 CA GLU A 84 -9.523 4.127 -1.705 1.00 35.20 C ATOM 1214 C GLU A 84 -9.821 4.816 -0.376 1.00 35.45 C ATOM 1215 O GLU A 84 -10.782 4.472 0.312 1.00 54.24 O ATOM 1216 CB GLU A 84 -10.532 4.578 -2.763 1.00 60.13 C ATOM 1217 CG GLU A 84 -10.904 6.049 -2.662 1.00 63.50 C ATOM 1218 CD GLU A 84 -10.873 6.752 -4.005 1.00 63.11 C ATOM 1219 OE1 GLU A 84 -9.884 6.571 -4.746 1.00 64.54 O ATOM 1220 OE2 GLU A 84 -11.836 7.483 -4.315 1.00 11.14 O ATOM 0 H GLU A 84 -10.468 2.301 -1.292 1.00 24.32 H new ATOM 0 HA GLU A 84 -8.520 4.411 -2.025 1.00 35.20 H new ATOM 0 HB2 GLU A 84 -10.119 4.383 -3.753 1.00 60.13 H new ATOM 0 HB3 GLU A 84 -11.436 3.976 -2.671 1.00 60.13 H new ATOM 0 HG2 GLU A 84 -11.902 6.139 -2.232 1.00 63.50 H new ATOM 0 HG3 GLU A 84 -10.216 6.548 -1.979 1.00 63.50 H new ATOM 1227 N ALA A 85 -8.989 5.789 -0.021 1.00 52.20 N ATOM 1228 CA ALA A 85 -9.163 6.528 1.223 1.00 35.21 C ATOM 1229 C ALA A 85 -8.405 7.850 1.188 1.00 11.34 C ATOM 1230 O ALA A 85 -7.536 8.056 0.341 1.00 23.11 O ATOM 1231 CB ALA A 85 -8.704 5.686 2.405 1.00 21.33 C ATOM 0 H ALA A 85 -8.187 6.084 -0.578 1.00 52.20 H new ATOM 0 HA ALA A 85 -10.224 6.751 1.339 1.00 35.21 H new ATOM 0 HB1 ALA A 85 -8.839 6.250 3.328 1.00 21.33 H new ATOM 0 HB2 ALA A 85 -9.293 4.770 2.450 1.00 21.33 H new ATOM 0 HB3 ALA A 85 -7.650 5.434 2.285 1.00 21.33 H new ATOM 1237 N ASP A 86 -8.742 8.744 2.111 1.00 12.34 N ATOM 1238 CA ASP A 86 -8.093 10.048 2.186 1.00 22.51 C ATOM 1239 C ASP A 86 -6.579 9.895 2.289 1.00 44.14 C ATOM 1240 O ASP A 86 -6.077 9.063 3.046 1.00 43.12 O ATOM 1241 CB ASP A 86 -8.621 10.837 3.385 1.00 24.52 C ATOM 1242 CG ASP A 86 -10.069 11.250 3.213 1.00 42.40 C ATOM 1243 OD1 ASP A 86 -10.790 10.581 2.444 1.00 53.41 O ATOM 1244 OD2 ASP A 86 -10.483 12.243 3.848 1.00 72.04 O ATOM 0 H ASP A 86 -9.461 8.590 2.818 1.00 12.34 H new ATOM 0 HA ASP A 86 -8.324 10.595 1.272 1.00 22.51 H new ATOM 0 HB2 ASP A 86 -8.523 10.232 4.286 1.00 24.52 H new ATOM 0 HB3 ASP A 86 -8.007 11.726 3.530 1.00 24.52 H new ATOM 1249 N LEU A 87 -5.854 10.704 1.522 1.00 53.10 N ATOM 1250 CA LEU A 87 -4.396 10.658 1.526 1.00 13.43 C ATOM 1251 C LEU A 87 -3.855 10.658 2.952 1.00 12.12 C ATOM 1252 O LEU A 87 -2.912 9.933 3.269 1.00 43.42 O ATOM 1253 CB LEU A 87 -3.829 11.850 0.754 1.00 64.10 C ATOM 1254 CG LEU A 87 -2.332 12.111 0.929 1.00 41.23 C ATOM 1255 CD1 LEU A 87 -1.516 11.023 0.249 1.00 23.23 C ATOM 1256 CD2 LEU A 87 -1.961 13.480 0.378 1.00 54.51 C ATOM 0 H LEU A 87 -6.252 11.399 0.890 1.00 53.10 H new ATOM 0 HA LEU A 87 -4.084 9.734 1.039 1.00 13.43 H new ATOM 0 HB2 LEU A 87 -4.030 11.699 -0.307 1.00 64.10 H new ATOM 0 HB3 LEU A 87 -4.372 12.745 1.057 1.00 64.10 H new ATOM 0 HG LEU A 87 -2.103 12.095 1.995 1.00 41.23 H new ATOM 0 HD11 LEU A 87 -0.454 11.226 0.385 1.00 23.23 H new ATOM 0 HD12 LEU A 87 -1.760 10.056 0.690 1.00 23.23 H new ATOM 0 HD13 LEU A 87 -1.749 11.005 -0.816 1.00 23.23 H new ATOM 0 HD21 LEU A 87 -0.892 13.648 0.511 1.00 54.51 H new ATOM 0 HD22 LEU A 87 -2.206 13.524 -0.683 1.00 54.51 H new ATOM 0 HD23 LEU A 87 -2.519 14.250 0.911 1.00 54.51 H new ATOM 1268 N ALA A 88 -4.461 11.473 3.810 1.00 74.32 N ATOM 1269 CA ALA A 88 -4.043 11.563 5.203 1.00 72.20 C ATOM 1270 C ALA A 88 -4.026 10.187 5.862 1.00 61.03 C ATOM 1271 O ALA A 88 -3.022 9.779 6.446 1.00 31.12 O ATOM 1272 CB ALA A 88 -4.960 12.505 5.969 1.00 31.22 C ATOM 0 H ALA A 88 -5.243 12.080 3.564 1.00 74.32 H new ATOM 0 HA ALA A 88 -3.028 11.961 5.227 1.00 72.20 H new ATOM 0 HB1 ALA A 88 -4.636 12.563 7.008 1.00 31.22 H new ATOM 0 HB2 ALA A 88 -4.919 13.498 5.520 1.00 31.22 H new ATOM 0 HB3 ALA A 88 -5.983 12.130 5.928 1.00 31.22 H new ATOM 1278 N THR A 89 -5.144 9.475 5.763 1.00 33.21 N ATOM 1279 CA THR A 89 -5.258 8.146 6.351 1.00 73.10 C ATOM 1280 C THR A 89 -4.178 7.214 5.815 1.00 75.33 C ATOM 1281 O THR A 89 -3.685 6.343 6.531 1.00 12.02 O ATOM 1282 CB THR A 89 -6.641 7.526 6.073 1.00 53.24 C ATOM 1283 OG1 THR A 89 -7.656 8.263 6.764 1.00 60.12 O ATOM 1284 CG2 THR A 89 -6.679 6.069 6.509 1.00 2.45 C ATOM 0 H THR A 89 -5.984 9.796 5.281 1.00 33.21 H new ATOM 0 HA THR A 89 -5.131 8.264 7.427 1.00 73.10 H new ATOM 0 HB THR A 89 -6.826 7.572 5.000 1.00 53.24 H new ATOM 0 HG1 THR A 89 -8.532 7.864 6.581 1.00 60.12 H new ATOM 0 HG21 THR A 89 -7.665 5.653 6.303 1.00 2.45 H new ATOM 0 HG22 THR A 89 -5.925 5.505 5.960 1.00 2.45 H new ATOM 0 HG23 THR A 89 -6.474 6.003 7.578 1.00 2.45 H new ATOM 1292 N TRP A 90 -3.816 7.402 4.551 1.00 72.50 N ATOM 1293 CA TRP A 90 -2.793 6.575 3.918 1.00 11.30 C ATOM 1294 C TRP A 90 -1.412 6.899 4.476 1.00 21.13 C ATOM 1295 O TRP A 90 -0.625 5.998 4.766 1.00 44.24 O ATOM 1296 CB TRP A 90 -2.807 6.783 2.403 1.00 24.51 C ATOM 1297 CG TRP A 90 -3.913 6.045 1.712 1.00 70.51 C ATOM 1298 CD1 TRP A 90 -4.900 6.584 0.939 1.00 52.02 C ATOM 1299 CD2 TRP A 90 -4.145 4.632 1.734 1.00 51.12 C ATOM 1300 NE1 TRP A 90 -5.733 5.593 0.479 1.00 62.11 N ATOM 1301 CE2 TRP A 90 -5.290 4.386 0.951 1.00 22.33 C ATOM 1302 CE3 TRP A 90 -3.496 3.551 2.336 1.00 1.14 C ATOM 1303 CZ2 TRP A 90 -5.798 3.103 0.758 1.00 11.44 C ATOM 1304 CZ3 TRP A 90 -4.001 2.279 2.144 1.00 1.12 C ATOM 1305 CH2 TRP A 90 -5.143 2.064 1.360 1.00 22.42 C ATOM 0 H TRP A 90 -4.215 8.119 3.944 1.00 72.50 H new ATOM 0 HA TRP A 90 -3.017 5.531 4.136 1.00 11.30 H new ATOM 0 HB2 TRP A 90 -2.902 7.848 2.191 1.00 24.51 H new ATOM 0 HB3 TRP A 90 -1.851 6.460 1.990 1.00 24.51 H new ATOM 0 HD1 TRP A 90 -5.010 7.636 0.721 1.00 52.02 H new ATOM 0 HE1 TRP A 90 -6.549 5.733 -0.117 1.00 62.11 H new ATOM 0 HE3 TRP A 90 -2.615 3.707 2.941 1.00 1.14 H new ATOM 0 HZ2 TRP A 90 -6.678 2.935 0.154 1.00 11.44 H new ATOM 0 HZ3 TRP A 90 -3.508 1.437 2.606 1.00 1.12 H new ATOM 0 HH2 TRP A 90 -5.513 1.058 1.229 1.00 22.42 H new ATOM 1316 N GLN A 91 -1.125 8.188 4.624 1.00 22.52 N ATOM 1317 CA GLN A 91 0.164 8.628 5.147 1.00 33.21 C ATOM 1318 C GLN A 91 0.367 8.137 6.577 1.00 53.42 C ATOM 1319 O GLN A 91 1.486 7.825 6.982 1.00 32.11 O ATOM 1320 CB GLN A 91 0.262 10.154 5.101 1.00 73.34 C ATOM 1321 CG GLN A 91 0.265 10.720 3.690 1.00 43.44 C ATOM 1322 CD GLN A 91 1.243 11.865 3.523 1.00 11.52 C ATOM 1323 OE1 GLN A 91 1.826 12.347 4.495 1.00 74.52 O ATOM 1324 NE2 GLN A 91 1.428 12.311 2.286 1.00 63.35 N ATOM 0 H GLN A 91 -1.766 8.946 4.390 1.00 22.52 H new ATOM 0 HA GLN A 91 0.947 8.201 4.521 1.00 33.21 H new ATOM 0 HB2 GLN A 91 -0.575 10.581 5.653 1.00 73.34 H new ATOM 0 HB3 GLN A 91 1.173 10.467 5.611 1.00 73.34 H new ATOM 0 HG2 GLN A 91 0.516 9.927 2.985 1.00 43.44 H new ATOM 0 HG3 GLN A 91 -0.738 11.064 3.439 1.00 43.44 H new ATOM 0 HE21 GLN A 91 0.925 11.883 1.509 1.00 63.35 H new ATOM 0 HE22 GLN A 91 2.074 13.082 2.113 1.00 63.35 H new ATOM 1333 N GLU A 92 -0.723 8.073 7.336 1.00 44.10 N ATOM 1334 CA GLU A 92 -0.663 7.622 8.721 1.00 1.20 C ATOM 1335 C GLU A 92 -0.200 6.170 8.801 1.00 41.13 C ATOM 1336 O GLU A 92 0.858 5.873 9.356 1.00 31.21 O ATOM 1337 CB GLU A 92 -2.032 7.769 9.389 1.00 2.34 C ATOM 1338 CG GLU A 92 -2.636 9.156 9.239 1.00 22.31 C ATOM 1339 CD GLU A 92 -2.893 9.827 10.574 1.00 3.04 C ATOM 1340 OE1 GLU A 92 -3.260 9.119 11.535 1.00 75.11 O ATOM 1341 OE2 GLU A 92 -2.725 11.062 10.659 1.00 63.44 O ATOM 0 H GLU A 92 -1.657 8.328 7.015 1.00 44.10 H new ATOM 0 HA GLU A 92 0.059 8.246 9.248 1.00 1.20 H new ATOM 0 HB2 GLU A 92 -2.716 7.036 8.962 1.00 2.34 H new ATOM 0 HB3 GLU A 92 -1.937 7.536 10.450 1.00 2.34 H new ATOM 0 HG2 GLU A 92 -1.965 9.778 8.647 1.00 22.31 H new ATOM 0 HG3 GLU A 92 -3.573 9.083 8.687 1.00 22.31 H new ATOM 1348 N VAL A 93 -1.000 5.268 8.241 1.00 12.12 N ATOM 1349 CA VAL A 93 -0.675 3.847 8.248 1.00 44.42 C ATOM 1350 C VAL A 93 0.769 3.614 7.815 1.00 34.54 C ATOM 1351 O VAL A 93 1.368 2.587 8.142 1.00 24.03 O ATOM 1352 CB VAL A 93 -1.612 3.052 7.320 1.00 4.25 C ATOM 1353 CG1 VAL A 93 -1.518 3.571 5.893 1.00 10.31 C ATOM 1354 CG2 VAL A 93 -1.285 1.567 7.378 1.00 1.14 C ATOM 0 H VAL A 93 -1.879 5.497 7.776 1.00 12.12 H new ATOM 0 HA VAL A 93 -0.807 3.496 9.271 1.00 44.42 H new ATOM 0 HB VAL A 93 -2.637 3.189 7.664 1.00 4.25 H new ATOM 0 HG11 VAL A 93 -2.187 2.997 5.252 1.00 10.31 H new ATOM 0 HG12 VAL A 93 -1.805 4.622 5.868 1.00 10.31 H new ATOM 0 HG13 VAL A 93 -0.494 3.466 5.534 1.00 10.31 H new ATOM 0 HG21 VAL A 93 -1.957 1.020 6.716 1.00 1.14 H new ATOM 0 HG22 VAL A 93 -0.254 1.409 7.060 1.00 1.14 H new ATOM 0 HG23 VAL A 93 -1.409 1.207 8.399 1.00 1.14 H new ATOM 1364 N LEU A 94 1.323 4.570 7.079 1.00 32.03 N ATOM 1365 CA LEU A 94 2.698 4.469 6.602 1.00 12.03 C ATOM 1366 C LEU A 94 3.679 4.958 7.662 1.00 1.14 C ATOM 1367 O LEU A 94 4.740 4.367 7.859 1.00 70.30 O ATOM 1368 CB LEU A 94 2.873 5.280 5.316 1.00 34.42 C ATOM 1369 CG LEU A 94 3.646 4.593 4.191 1.00 63.15 C ATOM 1370 CD1 LEU A 94 5.088 4.343 4.608 1.00 53.41 C ATOM 1371 CD2 LEU A 94 2.970 3.288 3.797 1.00 31.21 C ATOM 0 H LEU A 94 0.841 5.425 6.799 1.00 32.03 H new ATOM 0 HA LEU A 94 2.909 3.420 6.395 1.00 12.03 H new ATOM 0 HB2 LEU A 94 1.885 5.547 4.941 1.00 34.42 H new ATOM 0 HB3 LEU A 94 3.382 6.211 5.564 1.00 34.42 H new ATOM 0 HG LEU A 94 3.649 5.254 3.324 1.00 63.15 H new ATOM 0 HD11 LEU A 94 5.622 3.853 3.794 1.00 53.41 H new ATOM 0 HD12 LEU A 94 5.570 5.293 4.839 1.00 53.41 H new ATOM 0 HD13 LEU A 94 5.106 3.703 5.490 1.00 53.41 H new ATOM 0 HD21 LEU A 94 3.535 2.813 2.995 1.00 31.21 H new ATOM 0 HD22 LEU A 94 2.935 2.622 4.659 1.00 31.21 H new ATOM 0 HD23 LEU A 94 1.956 3.493 3.455 1.00 31.21 H new ATOM 1383 N GLU A 95 3.316 6.041 8.344 1.00 64.15 N ATOM 1384 CA GLU A 95 4.166 6.607 9.385 1.00 41.34 C ATOM 1385 C GLU A 95 4.237 5.679 10.594 1.00 12.41 C ATOM 1386 O GLU A 95 5.051 5.877 11.495 1.00 12.34 O ATOM 1387 CB GLU A 95 3.640 7.980 9.811 1.00 25.31 C ATOM 1388 CG GLU A 95 3.791 9.049 8.742 1.00 30.55 C ATOM 1389 CD GLU A 95 4.443 10.312 9.268 1.00 5.12 C ATOM 1390 OE1 GLU A 95 5.319 10.205 10.151 1.00 11.33 O ATOM 1391 OE2 GLU A 95 4.076 11.409 8.796 1.00 51.20 O ATOM 0 H GLU A 95 2.441 6.543 8.194 1.00 64.15 H new ATOM 0 HA GLU A 95 5.171 6.721 8.978 1.00 41.34 H new ATOM 0 HB2 GLU A 95 2.587 7.890 10.076 1.00 25.31 H new ATOM 0 HB3 GLU A 95 4.169 8.299 10.709 1.00 25.31 H new ATOM 0 HG2 GLU A 95 4.386 8.653 7.919 1.00 30.55 H new ATOM 0 HG3 GLU A 95 2.809 9.293 8.337 1.00 30.55 H new ATOM 1398 N GLY A 96 3.376 4.665 10.606 1.00 42.40 N ATOM 1399 CA GLY A 96 3.357 3.722 11.709 1.00 61.34 C ATOM 1400 C GLY A 96 2.344 4.094 12.773 1.00 41.42 C ATOM 1401 O GLY A 96 2.101 3.327 13.704 1.00 73.21 O ATOM 0 H GLY A 96 2.692 4.480 9.872 1.00 42.40 H new ATOM 0 HA2 GLY A 96 3.130 2.726 11.328 1.00 61.34 H new ATOM 0 HA3 GLY A 96 4.349 3.673 12.158 1.00 61.34 H new ATOM 1405 N ARG A 97 1.753 5.278 12.636 1.00 21.41 N ATOM 1406 CA ARG A 97 0.763 5.752 13.596 1.00 64.34 C ATOM 1407 C ARG A 97 -0.554 4.998 13.435 1.00 3.23 C ATOM 1408 O ARG A 97 -1.238 4.706 14.417 1.00 64.44 O ATOM 1409 CB ARG A 97 0.530 7.254 13.419 1.00 74.21 C ATOM 1410 CG ARG A 97 1.708 8.109 13.856 1.00 32.42 C ATOM 1411 CD ARG A 97 1.399 8.869 15.137 1.00 31.31 C ATOM 1412 NE ARG A 97 2.558 9.611 15.626 1.00 51.21 N ATOM 1413 CZ ARG A 97 2.920 10.800 15.159 1.00 51.03 C ATOM 1414 NH1 ARG A 97 2.215 11.379 14.195 1.00 2.53 N ATOM 1415 NH2 ARG A 97 3.986 11.413 15.655 1.00 73.14 N ATOM 0 H ARG A 97 1.943 5.925 11.871 1.00 21.41 H new ATOM 0 HA ARG A 97 1.147 5.567 14.599 1.00 64.34 H new ATOM 0 HB2 ARG A 97 0.313 7.458 12.371 1.00 74.21 H new ATOM 0 HB3 ARG A 97 -0.351 7.546 13.990 1.00 74.21 H new ATOM 0 HG2 ARG A 97 2.582 7.476 14.009 1.00 32.42 H new ATOM 0 HG3 ARG A 97 1.960 8.815 13.065 1.00 32.42 H new ATOM 0 HD2 ARG A 97 0.575 9.560 14.959 1.00 31.31 H new ATOM 0 HD3 ARG A 97 1.067 8.168 15.903 1.00 31.31 H new ATOM 0 HE ARG A 97 3.120 9.193 16.367 1.00 51.21 H new ATOM 0 HH11 ARG A 97 1.394 10.911 13.812 1.00 2.53 H new ATOM 0 HH12 ARG A 97 2.494 12.292 13.837 1.00 2.53 H new ATOM 0 HH21 ARG A 97 4.529 10.971 16.397 1.00 73.14 H new ATOM 0 HH22 ARG A 97 4.263 12.326 15.295 1.00 73.14 H new ATOM 1429 N LEU A 98 -0.905 4.690 12.192 1.00 64.54 N ATOM 1430 CA LEU A 98 -2.140 3.970 11.901 1.00 15.51 C ATOM 1431 C LEU A 98 -1.848 2.537 11.470 1.00 63.13 C ATOM 1432 O LEU A 98 -0.705 2.085 11.520 1.00 45.32 O ATOM 1433 CB LEU A 98 -2.929 4.694 10.808 1.00 62.34 C ATOM 1434 CG LEU A 98 -3.961 5.715 11.288 1.00 21.52 C ATOM 1435 CD1 LEU A 98 -4.707 6.315 10.107 1.00 54.30 C ATOM 1436 CD2 LEU A 98 -4.934 5.072 12.266 1.00 63.44 C ATOM 0 H LEU A 98 -0.352 4.928 11.369 1.00 64.54 H new ATOM 0 HA LEU A 98 -2.737 3.939 12.812 1.00 15.51 H new ATOM 0 HB2 LEU A 98 -2.221 5.203 10.154 1.00 62.34 H new ATOM 0 HB3 LEU A 98 -3.442 3.947 10.203 1.00 62.34 H new ATOM 0 HG LEU A 98 -3.436 6.518 11.805 1.00 21.52 H new ATOM 0 HD11 LEU A 98 -5.437 7.039 10.468 1.00 54.30 H new ATOM 0 HD12 LEU A 98 -3.999 6.813 9.444 1.00 54.30 H new ATOM 0 HD13 LEU A 98 -5.220 5.524 9.561 1.00 54.30 H new ATOM 0 HD21 LEU A 98 -5.661 5.814 12.597 1.00 63.44 H new ATOM 0 HD22 LEU A 98 -5.453 4.249 11.775 1.00 63.44 H new ATOM 0 HD23 LEU A 98 -4.386 4.692 13.128 1.00 63.44 H new ATOM 1448 N GLU A 99 -2.889 1.828 11.045 1.00 40.51 N ATOM 1449 CA GLU A 99 -2.743 0.447 10.603 1.00 20.10 C ATOM 1450 C GLU A 99 -3.496 0.210 9.297 1.00 41.33 C ATOM 1451 O GLU A 99 -4.559 0.779 9.052 1.00 34.24 O ATOM 1452 CB GLU A 99 -3.253 -0.513 11.680 1.00 42.13 C ATOM 1453 CG GLU A 99 -2.240 -0.791 12.778 1.00 61.11 C ATOM 1454 CD GLU A 99 -2.604 -0.123 14.090 1.00 41.04 C ATOM 1455 OE1 GLU A 99 -2.304 1.079 14.246 1.00 12.51 O ATOM 1456 OE2 GLU A 99 -3.187 -0.803 14.959 1.00 15.01 O ATOM 0 H GLU A 99 -3.842 2.188 10.998 1.00 40.51 H new ATOM 0 HA GLU A 99 -1.683 0.258 10.430 1.00 20.10 H new ATOM 0 HB2 GLU A 99 -4.156 -0.097 12.127 1.00 42.13 H new ATOM 0 HB3 GLU A 99 -3.535 -1.455 11.211 1.00 42.13 H new ATOM 0 HG2 GLU A 99 -2.163 -1.867 12.932 1.00 61.11 H new ATOM 0 HG3 GLU A 99 -1.258 -0.443 12.458 1.00 61.11 H new ATOM 1463 N PRO A 100 -2.930 -0.650 8.437 1.00 53.54 N ATOM 1464 CA PRO A 100 -3.531 -0.982 7.140 1.00 30.11 C ATOM 1465 C PRO A 100 -4.803 -1.811 7.286 1.00 23.10 C ATOM 1466 O PRO A 100 -5.720 -1.706 6.472 1.00 70.02 O ATOM 1467 CB PRO A 100 -2.439 -1.796 6.442 1.00 60.00 C ATOM 1468 CG PRO A 100 -1.633 -2.378 7.551 1.00 22.24 C ATOM 1469 CD PRO A 100 -1.664 -1.365 8.662 1.00 44.14 C ATOM 0 HA PRO A 100 -3.834 -0.091 6.591 1.00 30.11 H new ATOM 0 HB2 PRO A 100 -2.868 -2.576 5.813 1.00 60.00 H new ATOM 0 HB3 PRO A 100 -1.827 -1.166 5.796 1.00 60.00 H new ATOM 0 HG2 PRO A 100 -2.051 -3.330 7.879 1.00 22.24 H new ATOM 0 HG3 PRO A 100 -0.610 -2.573 7.229 1.00 22.24 H new ATOM 0 HD2 PRO A 100 -1.641 -1.842 9.642 1.00 44.14 H new ATOM 0 HD3 PRO A 100 -0.808 -0.691 8.615 1.00 44.14 H new ATOM 1477 N LEU A 101 -4.851 -2.633 8.328 1.00 33.51 N ATOM 1478 CA LEU A 101 -6.011 -3.480 8.581 1.00 73.20 C ATOM 1479 C LEU A 101 -6.975 -2.807 9.552 1.00 33.12 C ATOM 1480 O LEU A 101 -8.191 -2.854 9.367 1.00 54.32 O ATOM 1481 CB LEU A 101 -5.568 -4.833 9.140 1.00 31.02 C ATOM 1482 CG LEU A 101 -5.238 -5.911 8.107 1.00 70.32 C ATOM 1483 CD1 LEU A 101 -6.489 -6.689 7.728 1.00 64.21 C ATOM 1484 CD2 LEU A 101 -4.600 -5.290 6.873 1.00 54.42 C ATOM 0 H LEU A 101 -4.100 -2.731 9.011 1.00 33.51 H new ATOM 0 HA LEU A 101 -6.528 -3.637 7.634 1.00 73.20 H new ATOM 0 HB2 LEU A 101 -4.689 -4.675 9.764 1.00 31.02 H new ATOM 0 HB3 LEU A 101 -6.357 -5.211 9.790 1.00 31.02 H new ATOM 0 HG LEU A 101 -4.524 -6.605 8.551 1.00 70.32 H new ATOM 0 HD11 LEU A 101 -6.234 -7.452 6.992 1.00 64.21 H new ATOM 0 HD12 LEU A 101 -6.904 -7.166 8.616 1.00 64.21 H new ATOM 0 HD13 LEU A 101 -7.227 -6.008 7.304 1.00 64.21 H new ATOM 0 HD21 LEU A 101 -4.372 -6.072 6.149 1.00 54.42 H new ATOM 0 HD22 LEU A 101 -5.290 -4.573 6.428 1.00 54.42 H new ATOM 0 HD23 LEU A 101 -3.680 -4.779 7.157 1.00 54.42 H new ATOM 1496 N SER A 102 -6.424 -2.180 10.586 1.00 74.05 N ATOM 1497 CA SER A 102 -7.236 -1.498 11.587 1.00 2.43 C ATOM 1498 C SER A 102 -7.963 -0.303 10.977 1.00 62.53 C ATOM 1499 O SER A 102 -9.155 -0.105 11.206 1.00 14.31 O ATOM 1500 CB SER A 102 -6.361 -1.034 12.753 1.00 20.44 C ATOM 1501 OG SER A 102 -6.988 -1.298 13.997 1.00 10.21 O ATOM 0 H SER A 102 -5.419 -2.130 10.753 1.00 74.05 H new ATOM 0 HA SER A 102 -7.980 -2.204 11.957 1.00 2.43 H new ATOM 0 HB2 SER A 102 -5.397 -1.541 12.713 1.00 20.44 H new ATOM 0 HB3 SER A 102 -6.163 0.034 12.661 1.00 20.44 H new ATOM 0 HG SER A 102 -6.408 -0.994 14.726 1.00 10.21 H new ATOM 1507 N ALA A 103 -7.234 0.489 10.197 1.00 23.23 N ATOM 1508 CA ALA A 103 -7.808 1.663 9.551 1.00 64.32 C ATOM 1509 C ALA A 103 -9.046 1.292 8.740 1.00 3.31 C ATOM 1510 O ALA A 103 -10.073 1.968 8.813 1.00 5.33 O ATOM 1511 CB ALA A 103 -6.773 2.334 8.661 1.00 11.12 C ATOM 0 H ALA A 103 -6.245 0.339 9.997 1.00 23.23 H new ATOM 0 HA ALA A 103 -8.111 2.364 10.328 1.00 64.32 H new ATOM 0 HB1 ALA A 103 -7.215 3.209 8.185 1.00 11.12 H new ATOM 0 HB2 ALA A 103 -5.919 2.642 9.264 1.00 11.12 H new ATOM 0 HB3 ALA A 103 -6.442 1.633 7.895 1.00 11.12 H new ATOM 1517 N LEU A 104 -8.941 0.217 7.968 1.00 51.22 N ATOM 1518 CA LEU A 104 -10.053 -0.243 7.142 1.00 5.41 C ATOM 1519 C LEU A 104 -11.176 -0.805 8.006 1.00 13.31 C ATOM 1520 O LEU A 104 -12.351 -0.710 7.653 1.00 51.23 O ATOM 1521 CB LEU A 104 -9.573 -1.307 6.153 1.00 3.53 C ATOM 1522 CG LEU A 104 -9.823 -2.760 6.558 1.00 51.31 C ATOM 1523 CD1 LEU A 104 -11.191 -3.219 6.081 1.00 14.02 C ATOM 1524 CD2 LEU A 104 -8.732 -3.664 6.002 1.00 2.54 C ATOM 0 H LEU A 104 -8.098 -0.353 7.896 1.00 51.22 H new ATOM 0 HA LEU A 104 -10.440 0.612 6.587 1.00 5.41 H new ATOM 0 HB2 LEU A 104 -10.060 -1.129 5.194 1.00 3.53 H new ATOM 0 HB3 LEU A 104 -8.503 -1.173 5.997 1.00 3.53 H new ATOM 0 HG LEU A 104 -9.800 -2.823 7.646 1.00 51.31 H new ATOM 0 HD11 LEU A 104 -11.351 -4.255 6.378 1.00 14.02 H new ATOM 0 HD12 LEU A 104 -11.962 -2.590 6.527 1.00 14.02 H new ATOM 0 HD13 LEU A 104 -11.243 -3.141 4.995 1.00 14.02 H new ATOM 0 HD21 LEU A 104 -8.926 -4.694 6.300 1.00 2.54 H new ATOM 0 HD22 LEU A 104 -8.723 -3.597 4.914 1.00 2.54 H new ATOM 0 HD23 LEU A 104 -7.764 -3.349 6.393 1.00 2.54 H new ATOM 1536 N MET A 105 -10.808 -1.388 9.141 1.00 31.24 N ATOM 1537 CA MET A 105 -11.786 -1.963 10.058 1.00 44.41 C ATOM 1538 C MET A 105 -12.463 -0.872 10.883 1.00 24.33 C ATOM 1539 O MET A 105 -13.543 -1.081 11.435 1.00 13.43 O ATOM 1540 CB MET A 105 -11.115 -2.978 10.985 1.00 4.53 C ATOM 1541 CG MET A 105 -10.929 -4.348 10.354 1.00 13.24 C ATOM 1542 SD MET A 105 -11.872 -5.633 11.196 1.00 52.35 S ATOM 1543 CE MET A 105 -13.332 -5.714 10.161 1.00 32.25 C ATOM 0 H MET A 105 -9.839 -1.475 9.449 1.00 31.24 H new ATOM 0 HA MET A 105 -12.547 -2.472 9.466 1.00 44.41 H new ATOM 0 HB2 MET A 105 -10.142 -2.592 11.289 1.00 4.53 H new ATOM 0 HB3 MET A 105 -11.714 -3.082 11.890 1.00 4.53 H new ATOM 0 HG2 MET A 105 -11.232 -4.306 9.308 1.00 13.24 H new ATOM 0 HG3 MET A 105 -9.871 -4.610 10.369 1.00 13.24 H new ATOM 0 HE1 MET A 105 -14.170 -6.096 10.744 1.00 32.25 H new ATOM 0 HE2 MET A 105 -13.572 -4.717 9.791 1.00 32.25 H new ATOM 0 HE3 MET A 105 -13.144 -6.378 9.317 1.00 32.25 H new ATOM 1553 N ARG A 106 -11.821 0.288 10.963 1.00 2.03 N ATOM 1554 CA ARG A 106 -12.361 1.409 11.722 1.00 41.33 C ATOM 1555 C ARG A 106 -13.338 2.219 10.875 1.00 4.43 C ATOM 1556 O ARG A 106 -14.212 2.906 11.403 1.00 63.25 O ATOM 1557 CB ARG A 106 -11.228 2.312 12.215 1.00 23.22 C ATOM 1558 CG ARG A 106 -10.544 1.798 13.472 1.00 70.13 C ATOM 1559 CD ARG A 106 -9.749 2.897 14.162 1.00 75.41 C ATOM 1560 NE ARG A 106 -9.907 2.856 15.614 1.00 70.11 N ATOM 1561 CZ ARG A 106 -9.335 3.724 16.439 1.00 64.50 C ATOM 1562 NH1 ARG A 106 -8.571 4.696 15.960 1.00 42.11 N ATOM 1563 NH2 ARG A 106 -9.525 3.622 17.748 1.00 34.54 N ATOM 0 H ARG A 106 -10.926 0.476 10.511 1.00 2.03 H new ATOM 0 HA ARG A 106 -12.898 1.008 12.582 1.00 41.33 H new ATOM 0 HB2 ARG A 106 -10.486 2.415 11.423 1.00 23.22 H new ATOM 0 HB3 ARG A 106 -11.626 3.308 12.409 1.00 23.22 H new ATOM 0 HG2 ARG A 106 -11.292 1.402 14.159 1.00 70.13 H new ATOM 0 HG3 ARG A 106 -9.879 0.973 13.215 1.00 70.13 H new ATOM 0 HD2 ARG A 106 -8.694 2.795 13.909 1.00 75.41 H new ATOM 0 HD3 ARG A 106 -10.074 3.868 13.789 1.00 75.41 H new ATOM 0 HE ARG A 106 -10.488 2.120 16.015 1.00 70.11 H new ATOM 0 HH11 ARG A 106 -8.421 4.778 14.954 1.00 42.11 H new ATOM 0 HH12 ARG A 106 -8.133 5.361 16.597 1.00 42.11 H new ATOM 0 HH21 ARG A 106 -10.111 2.876 18.122 1.00 34.54 H new ATOM 0 HH22 ARG A 106 -9.085 4.290 18.381 1.00 34.54 H new ATOM 1577 N GLY A 107 -13.183 2.135 9.557 1.00 24.51 N ATOM 1578 CA GLY A 107 -14.058 2.864 8.659 1.00 43.03 C ATOM 1579 C GLY A 107 -13.314 3.903 7.842 1.00 33.14 C ATOM 1580 O GLY A 107 -13.923 4.664 7.088 1.00 24.50 O ATOM 0 H GLY A 107 -12.466 1.575 9.096 1.00 24.51 H new ATOM 0 HA2 GLY A 107 -14.550 2.162 7.986 1.00 43.03 H new ATOM 0 HA3 GLY A 107 -14.841 3.354 9.238 1.00 43.03 H new ATOM 1584 N LEU A 108 -11.995 3.939 7.994 1.00 25.04 N ATOM 1585 CA LEU A 108 -11.166 4.895 7.267 1.00 73.45 C ATOM 1586 C LEU A 108 -10.919 4.423 5.837 1.00 2.13 C ATOM 1587 O LEU A 108 -11.147 5.163 4.879 1.00 32.42 O ATOM 1588 CB LEU A 108 -9.833 5.096 7.988 1.00 41.14 C ATOM 1589 CG LEU A 108 -9.917 5.373 9.489 1.00 22.21 C ATOM 1590 CD1 LEU A 108 -8.525 5.425 10.101 1.00 42.31 C ATOM 1591 CD2 LEU A 108 -10.666 6.671 9.752 1.00 21.21 C ATOM 0 H LEU A 108 -11.476 3.317 8.614 1.00 25.04 H new ATOM 0 HA LEU A 108 -11.698 5.846 7.230 1.00 73.45 H new ATOM 0 HB2 LEU A 108 -9.223 4.205 7.837 1.00 41.14 H new ATOM 0 HB3 LEU A 108 -9.308 5.926 7.515 1.00 41.14 H new ATOM 0 HG LEU A 108 -10.468 4.558 9.958 1.00 22.21 H new ATOM 0 HD11 LEU A 108 -8.605 5.623 11.170 1.00 42.31 H new ATOM 0 HD12 LEU A 108 -8.023 4.470 9.945 1.00 42.31 H new ATOM 0 HD13 LEU A 108 -7.948 6.219 9.627 1.00 42.31 H new ATOM 0 HD21 LEU A 108 -10.716 6.851 10.826 1.00 21.21 H new ATOM 0 HD22 LEU A 108 -10.144 7.497 9.269 1.00 21.21 H new ATOM 0 HD23 LEU A 108 -11.676 6.596 9.350 1.00 21.21 H new ATOM 1603 N LEU A 109 -10.451 3.186 5.701 1.00 54.43 N ATOM 1604 CA LEU A 109 -10.175 2.614 4.388 1.00 32.34 C ATOM 1605 C LEU A 109 -11.374 1.824 3.874 1.00 14.41 C ATOM 1606 O LEU A 109 -12.175 1.314 4.658 1.00 51.22 O ATOM 1607 CB LEU A 109 -8.944 1.708 4.454 1.00 53.42 C ATOM 1608 CG LEU A 109 -7.743 2.263 5.219 1.00 20.14 C ATOM 1609 CD1 LEU A 109 -6.680 1.190 5.397 1.00 74.42 C ATOM 1610 CD2 LEU A 109 -7.166 3.474 4.501 1.00 64.10 C ATOM 0 H LEU A 109 -10.255 2.561 6.483 1.00 54.43 H new ATOM 0 HA LEU A 109 -9.980 3.433 3.696 1.00 32.34 H new ATOM 0 HB2 LEU A 109 -9.237 0.764 4.913 1.00 53.42 H new ATOM 0 HB3 LEU A 109 -8.628 1.483 3.435 1.00 53.42 H new ATOM 0 HG LEU A 109 -8.080 2.578 6.206 1.00 20.14 H new ATOM 0 HD11 LEU A 109 -5.833 1.604 5.944 1.00 74.42 H new ATOM 0 HD12 LEU A 109 -7.098 0.353 5.956 1.00 74.42 H new ATOM 0 HD13 LEU A 109 -6.346 0.843 4.419 1.00 74.42 H new ATOM 0 HD21 LEU A 109 -6.312 3.856 5.060 1.00 64.10 H new ATOM 0 HD22 LEU A 109 -6.845 3.185 3.500 1.00 64.10 H new ATOM 0 HD23 LEU A 109 -7.928 4.250 4.427 1.00 64.10 H new ATOM 1622 N GLU A 110 -11.491 1.727 2.554 1.00 1.21 N ATOM 1623 CA GLU A 110 -12.593 0.998 1.936 1.00 23.44 C ATOM 1624 C GLU A 110 -12.115 0.227 0.709 1.00 10.43 C ATOM 1625 O GLU A 110 -11.625 0.815 -0.256 1.00 13.21 O ATOM 1626 CB GLU A 110 -13.714 1.961 1.542 1.00 5.15 C ATOM 1627 CG GLU A 110 -15.107 1.386 1.736 1.00 11.44 C ATOM 1628 CD GLU A 110 -16.084 2.401 2.298 1.00 21.34 C ATOM 1629 OE1 GLU A 110 -15.954 2.754 3.489 1.00 72.00 O ATOM 1630 OE2 GLU A 110 -16.978 2.843 1.546 1.00 25.21 O ATOM 0 H GLU A 110 -10.837 2.144 1.892 1.00 1.21 H new ATOM 0 HA GLU A 110 -12.977 0.285 2.665 1.00 23.44 H new ATOM 0 HB2 GLU A 110 -13.621 2.873 2.131 1.00 5.15 H new ATOM 0 HB3 GLU A 110 -13.589 2.243 0.496 1.00 5.15 H new ATOM 0 HG2 GLU A 110 -15.481 1.018 0.780 1.00 11.44 H new ATOM 0 HG3 GLU A 110 -15.052 0.529 2.408 1.00 11.44 H new ATOM 1637 N LEU A 111 -12.260 -1.093 0.753 1.00 51.32 N ATOM 1638 CA LEU A 111 -11.843 -1.946 -0.354 1.00 60.13 C ATOM 1639 C LEU A 111 -12.971 -2.112 -1.368 1.00 31.01 C ATOM 1640 O LEU A 111 -13.906 -2.883 -1.152 1.00 34.23 O ATOM 1641 CB LEU A 111 -11.405 -3.316 0.168 1.00 41.43 C ATOM 1642 CG LEU A 111 -10.907 -4.307 -0.884 1.00 43.04 C ATOM 1643 CD1 LEU A 111 -9.431 -4.084 -1.171 1.00 23.41 C ATOM 1644 CD2 LEU A 111 -11.154 -5.737 -0.428 1.00 61.30 C ATOM 0 H LEU A 111 -12.663 -1.596 1.544 1.00 51.32 H new ATOM 0 HA LEU A 111 -10.999 -1.467 -0.851 1.00 60.13 H new ATOM 0 HB2 LEU A 111 -10.613 -3.167 0.901 1.00 41.43 H new ATOM 0 HB3 LEU A 111 -12.246 -3.768 0.695 1.00 41.43 H new ATOM 0 HG LEU A 111 -11.464 -4.140 -1.806 1.00 43.04 H new ATOM 0 HD11 LEU A 111 -9.094 -4.799 -1.922 1.00 23.41 H new ATOM 0 HD12 LEU A 111 -9.282 -3.070 -1.542 1.00 23.41 H new ATOM 0 HD13 LEU A 111 -8.857 -4.223 -0.255 1.00 23.41 H new ATOM 0 HD21 LEU A 111 -10.793 -6.429 -1.189 1.00 61.30 H new ATOM 0 HD22 LEU A 111 -10.624 -5.917 0.507 1.00 61.30 H new ATOM 0 HD23 LEU A 111 -12.222 -5.891 -0.275 1.00 61.30 H new ATOM 1656 N LYS A 112 -12.875 -1.385 -2.476 1.00 60.43 N ATOM 1657 CA LYS A 112 -13.885 -1.453 -3.526 1.00 24.33 C ATOM 1658 C LYS A 112 -13.905 -2.836 -4.172 1.00 11.54 C ATOM 1659 O LYS A 112 -14.949 -3.482 -4.247 1.00 35.40 O ATOM 1660 CB LYS A 112 -13.618 -0.386 -4.588 1.00 41.14 C ATOM 1661 CG LYS A 112 -14.252 0.958 -4.274 1.00 44.21 C ATOM 1662 CD LYS A 112 -15.443 1.237 -5.176 1.00 11.25 C ATOM 1663 CE LYS A 112 -15.000 1.661 -6.567 1.00 51.12 C ATOM 1664 NZ LYS A 112 -16.113 2.284 -7.337 1.00 33.13 N ATOM 0 H LYS A 112 -12.108 -0.742 -2.670 1.00 60.43 H new ATOM 0 HA LYS A 112 -14.859 -1.269 -3.072 1.00 24.33 H new ATOM 0 HB2 LYS A 112 -12.541 -0.254 -4.695 1.00 41.14 H new ATOM 0 HB3 LYS A 112 -13.993 -0.740 -5.548 1.00 41.14 H new ATOM 0 HG2 LYS A 112 -14.571 0.976 -3.232 1.00 44.21 H new ATOM 0 HG3 LYS A 112 -13.511 1.748 -4.394 1.00 44.21 H new ATOM 0 HD2 LYS A 112 -16.064 0.344 -5.247 1.00 11.25 H new ATOM 0 HD3 LYS A 112 -16.060 2.020 -4.735 1.00 11.25 H new ATOM 0 HE2 LYS A 112 -14.174 2.368 -6.486 1.00 51.12 H new ATOM 0 HE3 LYS A 112 -14.624 0.793 -7.109 1.00 51.12 H new ATOM 0 HZ1 LYS A 112 -15.771 2.560 -8.280 1.00 33.13 H new ATOM 0 HZ2 LYS A 112 -16.891 1.601 -7.437 1.00 33.13 H new ATOM 0 HZ3 LYS A 112 -16.455 3.127 -6.833 1.00 33.13 H new ATOM 1678 N LYS A 113 -12.743 -3.283 -4.637 1.00 74.11 N ATOM 1679 CA LYS A 113 -12.626 -4.589 -5.274 1.00 61.34 C ATOM 1680 C LYS A 113 -12.569 -5.701 -4.231 1.00 5.23 C ATOM 1681 O LYS A 113 -12.756 -5.457 -3.040 1.00 22.22 O ATOM 1682 CB LYS A 113 -11.377 -4.638 -6.157 1.00 23.25 C ATOM 1683 CG LYS A 113 -11.667 -5.009 -7.601 1.00 31.00 C ATOM 1684 CD LYS A 113 -11.479 -3.821 -8.530 1.00 15.43 C ATOM 1685 CE LYS A 113 -12.641 -2.844 -8.427 1.00 33.43 C ATOM 1686 NZ LYS A 113 -12.289 -1.504 -8.973 1.00 35.40 N ATOM 0 H LYS A 113 -11.869 -2.760 -4.584 1.00 74.11 H new ATOM 0 HA LYS A 113 -13.509 -4.743 -5.895 1.00 61.34 H new ATOM 0 HB2 LYS A 113 -10.886 -3.665 -6.132 1.00 23.25 H new ATOM 0 HB3 LYS A 113 -10.675 -5.360 -5.739 1.00 23.25 H new ATOM 0 HG2 LYS A 113 -11.008 -5.821 -7.909 1.00 31.00 H new ATOM 0 HG3 LYS A 113 -12.689 -5.379 -7.684 1.00 31.00 H new ATOM 0 HD2 LYS A 113 -10.549 -3.309 -8.284 1.00 15.43 H new ATOM 0 HD3 LYS A 113 -11.387 -4.172 -9.558 1.00 15.43 H new ATOM 0 HE2 LYS A 113 -13.499 -3.242 -8.968 1.00 33.43 H new ATOM 0 HE3 LYS A 113 -12.940 -2.744 -7.384 1.00 33.43 H new ATOM 0 HZ1 LYS A 113 -13.107 -0.867 -8.885 1.00 35.40 H new ATOM 0 HZ2 LYS A 113 -11.486 -1.112 -8.441 1.00 35.40 H new ATOM 0 HZ3 LYS A 113 -12.028 -1.595 -9.976 1.00 35.40 H new ATOM 1700 N GLY A 114 -12.307 -6.921 -4.687 1.00 62.21 N ATOM 1701 CA GLY A 114 -12.228 -8.052 -3.780 1.00 10.52 C ATOM 1702 C GLY A 114 -13.197 -7.933 -2.620 1.00 40.23 C ATOM 1703 O GLY A 114 -14.325 -7.469 -2.789 1.00 52.04 O ATOM 0 H GLY A 114 -12.148 -7.147 -5.669 1.00 62.21 H new ATOM 0 HA2 GLY A 114 -12.435 -8.970 -4.330 1.00 10.52 H new ATOM 0 HA3 GLY A 114 -11.212 -8.134 -3.394 1.00 10.52 H new ATOM 1707 N THR A 115 -12.759 -8.356 -1.439 1.00 55.01 N ATOM 1708 CA THR A 115 -13.597 -8.298 -0.247 1.00 62.15 C ATOM 1709 C THR A 115 -12.755 -8.374 1.020 1.00 12.54 C ATOM 1710 O THR A 115 -11.619 -8.846 0.994 1.00 25.15 O ATOM 1711 CB THR A 115 -14.631 -9.439 -0.232 1.00 53.04 C ATOM 1712 OG1 THR A 115 -15.451 -9.341 0.937 1.00 35.42 O ATOM 1713 CG2 THR A 115 -13.942 -10.794 -0.264 1.00 23.34 C ATOM 0 H THR A 115 -11.828 -8.743 -1.282 1.00 55.01 H new ATOM 0 HA THR A 115 -14.121 -7.343 -0.275 1.00 62.15 H new ATOM 0 HB THR A 115 -15.255 -9.347 -1.121 1.00 53.04 H new ATOM 0 HG1 THR A 115 -16.107 -10.069 0.938 1.00 35.42 H new ATOM 0 HG21 THR A 115 -14.693 -11.584 -0.253 1.00 23.34 H new ATOM 0 HG22 THR A 115 -13.342 -10.876 -1.171 1.00 23.34 H new ATOM 0 HG23 THR A 115 -13.296 -10.895 0.608 1.00 23.34 H new ATOM 1721 N ILE A 116 -13.320 -7.906 2.129 1.00 62.21 N ATOM 1722 CA ILE A 116 -12.620 -7.922 3.408 1.00 74.41 C ATOM 1723 C ILE A 116 -12.496 -9.343 3.947 1.00 22.41 C ATOM 1724 O ILE A 116 -11.561 -9.659 4.684 1.00 54.42 O ATOM 1725 CB ILE A 116 -13.338 -7.049 4.454 1.00 62.02 C ATOM 1726 CG1 ILE A 116 -12.410 -6.766 5.636 1.00 13.45 C ATOM 1727 CG2 ILE A 116 -14.614 -7.730 4.926 1.00 32.11 C ATOM 1728 CD1 ILE A 116 -12.904 -5.656 6.539 1.00 41.14 C ATOM 0 H ILE A 116 -14.260 -7.511 2.167 1.00 62.21 H new ATOM 0 HA ILE A 116 -11.625 -7.515 3.229 1.00 74.41 H new ATOM 0 HB ILE A 116 -13.606 -6.099 3.991 1.00 62.02 H new ATOM 0 HG12 ILE A 116 -12.294 -7.677 6.223 1.00 13.45 H new ATOM 0 HG13 ILE A 116 -11.422 -6.503 5.257 1.00 13.45 H new ATOM 0 HG21 ILE A 116 -15.110 -7.101 5.665 1.00 32.11 H new ATOM 0 HG22 ILE A 116 -15.279 -7.886 4.077 1.00 32.11 H new ATOM 0 HG23 ILE A 116 -14.368 -8.692 5.375 1.00 32.11 H new ATOM 0 HD11 ILE A 116 -12.197 -5.509 7.356 1.00 41.14 H new ATOM 0 HD12 ILE A 116 -12.993 -4.733 5.966 1.00 41.14 H new ATOM 0 HD13 ILE A 116 -13.878 -5.925 6.947 1.00 41.14 H new ATOM 1740 N ALA A 117 -13.444 -10.198 3.574 1.00 3.33 N ATOM 1741 CA ALA A 117 -13.438 -11.586 4.018 1.00 22.12 C ATOM 1742 C ALA A 117 -12.175 -12.304 3.557 1.00 60.15 C ATOM 1743 O ALA A 117 -11.887 -13.417 3.996 1.00 43.12 O ATOM 1744 CB ALA A 117 -14.676 -12.308 3.505 1.00 24.34 C ATOM 0 H ALA A 117 -14.225 -9.953 2.966 1.00 3.33 H new ATOM 0 HA ALA A 117 -13.451 -11.594 5.108 1.00 22.12 H new ATOM 0 HB1 ALA A 117 -14.659 -13.344 3.844 1.00 24.34 H new ATOM 0 HB2 ALA A 117 -15.570 -11.815 3.888 1.00 24.34 H new ATOM 0 HB3 ALA A 117 -14.687 -12.283 2.415 1.00 24.34 H new ATOM 1750 N ALA A 118 -11.424 -11.661 2.669 1.00 70.13 N ATOM 1751 CA ALA A 118 -10.191 -12.238 2.149 1.00 70.40 C ATOM 1752 C ALA A 118 -8.997 -11.852 3.015 1.00 21.42 C ATOM 1753 O ALA A 118 -7.987 -12.557 3.048 1.00 71.22 O ATOM 1754 CB ALA A 118 -9.966 -11.798 0.710 1.00 14.53 C ATOM 0 H ALA A 118 -11.649 -10.739 2.294 1.00 70.13 H new ATOM 0 HA ALA A 118 -10.289 -13.323 2.173 1.00 70.40 H new ATOM 0 HB1 ALA A 118 -9.041 -12.237 0.336 1.00 14.53 H new ATOM 0 HB2 ALA A 118 -10.801 -12.130 0.093 1.00 14.53 H new ATOM 0 HB3 ALA A 118 -9.894 -10.711 0.669 1.00 14.53 H new ATOM 1760 N LEU A 119 -9.117 -10.729 3.714 1.00 72.05 N ATOM 1761 CA LEU A 119 -8.047 -10.248 4.580 1.00 11.12 C ATOM 1762 C LEU A 119 -8.143 -10.878 5.966 1.00 72.21 C ATOM 1763 O LEU A 119 -7.275 -10.672 6.814 1.00 63.21 O ATOM 1764 CB LEU A 119 -8.103 -8.724 4.696 1.00 11.41 C ATOM 1765 CG LEU A 119 -8.319 -7.959 3.390 1.00 74.03 C ATOM 1766 CD1 LEU A 119 -8.686 -6.510 3.673 1.00 22.41 C ATOM 1767 CD2 LEU A 119 -7.076 -8.035 2.515 1.00 21.34 C ATOM 0 H LEU A 119 -9.945 -10.134 3.698 1.00 72.05 H new ATOM 0 HA LEU A 119 -7.095 -10.538 4.134 1.00 11.12 H new ATOM 0 HB2 LEU A 119 -8.906 -8.461 5.385 1.00 11.41 H new ATOM 0 HB3 LEU A 119 -7.172 -8.379 5.146 1.00 11.41 H new ATOM 0 HG LEU A 119 -9.146 -8.423 2.853 1.00 74.03 H new ATOM 0 HD11 LEU A 119 -8.836 -5.982 2.731 1.00 22.41 H new ATOM 0 HD12 LEU A 119 -9.605 -6.475 4.259 1.00 22.41 H new ATOM 0 HD13 LEU A 119 -7.881 -6.033 4.232 1.00 22.41 H new ATOM 0 HD21 LEU A 119 -7.248 -7.485 1.590 1.00 21.34 H new ATOM 0 HD22 LEU A 119 -6.230 -7.597 3.045 1.00 21.34 H new ATOM 0 HD23 LEU A 119 -6.858 -9.077 2.282 1.00 21.34 H new ATOM 1779 N ALA A 120 -9.203 -11.649 6.188 1.00 4.10 N ATOM 1780 CA ALA A 120 -9.410 -12.313 7.468 1.00 11.45 C ATOM 1781 C ALA A 120 -8.111 -12.917 7.990 1.00 25.42 C ATOM 1782 O ALA A 120 -7.617 -12.561 9.059 1.00 21.24 O ATOM 1783 CB ALA A 120 -10.480 -13.387 7.339 1.00 11.22 C ATOM 0 H ALA A 120 -9.932 -11.829 5.497 1.00 4.10 H new ATOM 0 HA ALA A 120 -9.746 -11.565 8.186 1.00 11.45 H new ATOM 0 HB1 ALA A 120 -10.624 -13.875 8.303 1.00 11.22 H new ATOM 0 HB2 ALA A 120 -11.417 -12.931 7.020 1.00 11.22 H new ATOM 0 HB3 ALA A 120 -10.167 -14.126 6.602 1.00 11.22 H new ATOM 1789 N PRO A 121 -7.543 -13.857 7.218 1.00 4.42 N ATOM 1790 CA PRO A 121 -6.293 -14.530 7.582 1.00 31.55 C ATOM 1791 C PRO A 121 -5.089 -13.599 7.506 1.00 4.21 C ATOM 1792 O PRO A 121 -4.217 -13.624 8.377 1.00 52.44 O ATOM 1793 CB PRO A 121 -6.174 -15.645 6.539 1.00 2.41 C ATOM 1794 CG PRO A 121 -6.948 -15.149 5.367 1.00 62.23 C ATOM 1795 CD PRO A 121 -8.076 -14.330 5.930 1.00 72.23 C ATOM 0 HA PRO A 121 -6.309 -14.889 8.611 1.00 31.55 H new ATOM 0 HB2 PRO A 121 -5.133 -15.832 6.276 1.00 2.41 H new ATOM 0 HB3 PRO A 121 -6.581 -16.584 6.914 1.00 2.41 H new ATOM 0 HG2 PRO A 121 -6.319 -14.547 4.711 1.00 62.23 H new ATOM 0 HG3 PRO A 121 -7.328 -15.979 4.771 1.00 62.23 H new ATOM 0 HD2 PRO A 121 -8.337 -13.500 5.274 1.00 72.23 H new ATOM 0 HD3 PRO A 121 -8.978 -14.927 6.063 1.00 72.23 H new ATOM 1803 N TYR A 122 -5.045 -12.779 6.463 1.00 70.44 N ATOM 1804 CA TYR A 122 -3.945 -11.840 6.272 1.00 31.35 C ATOM 1805 C TYR A 122 -4.168 -10.569 7.086 1.00 73.43 C ATOM 1806 O TYR A 122 -4.056 -9.460 6.566 1.00 42.52 O ATOM 1807 CB TYR A 122 -3.795 -11.492 4.790 1.00 21.12 C ATOM 1808 CG TYR A 122 -4.033 -12.665 3.866 1.00 43.41 C ATOM 1809 CD1 TYR A 122 -3.179 -13.761 3.869 1.00 21.10 C ATOM 1810 CD2 TYR A 122 -5.111 -12.676 2.990 1.00 11.11 C ATOM 1811 CE1 TYR A 122 -3.393 -14.834 3.025 1.00 44.32 C ATOM 1812 CE2 TYR A 122 -5.332 -13.745 2.143 1.00 14.12 C ATOM 1813 CZ TYR A 122 -4.470 -14.821 2.164 1.00 23.15 C ATOM 1814 OH TYR A 122 -4.687 -15.888 1.323 1.00 61.31 O ATOM 0 H TYR A 122 -5.759 -12.745 5.735 1.00 70.44 H new ATOM 0 HA TYR A 122 -3.028 -12.316 6.620 1.00 31.35 H new ATOM 0 HB2 TYR A 122 -4.495 -10.695 4.540 1.00 21.12 H new ATOM 0 HB3 TYR A 122 -2.792 -11.101 4.617 1.00 21.12 H new ATOM 0 HD1 TYR A 122 -2.334 -13.775 4.542 1.00 21.10 H new ATOM 0 HD2 TYR A 122 -5.788 -11.835 2.971 1.00 11.11 H new ATOM 0 HE1 TYR A 122 -2.720 -15.679 3.040 1.00 44.32 H new ATOM 0 HE2 TYR A 122 -6.175 -13.738 1.468 1.00 14.12 H new ATOM 0 HH TYR A 122 -5.487 -15.721 0.783 1.00 61.31 H new ATOM 1824 N ALA A 123 -4.484 -10.741 8.365 1.00 3.41 N ATOM 1825 CA ALA A 123 -4.719 -9.608 9.251 1.00 3.34 C ATOM 1826 C ALA A 123 -3.421 -9.138 9.901 1.00 70.24 C ATOM 1827 O ALA A 123 -3.238 -7.948 10.152 1.00 60.33 O ATOM 1828 CB ALA A 123 -5.741 -9.976 10.317 1.00 44.21 C ATOM 0 H ALA A 123 -4.583 -11.653 8.810 1.00 3.41 H new ATOM 0 HA ALA A 123 -5.112 -8.787 8.652 1.00 3.34 H new ATOM 0 HB1 ALA A 123 -5.907 -9.121 10.972 1.00 44.21 H new ATOM 0 HB2 ALA A 123 -6.680 -10.255 9.840 1.00 44.21 H new ATOM 0 HB3 ALA A 123 -5.368 -10.816 10.904 1.00 44.21 H new ATOM 1834 N GLN A 124 -2.524 -10.082 10.169 1.00 40.14 N ATOM 1835 CA GLN A 124 -1.244 -9.764 10.789 1.00 20.54 C ATOM 1836 C GLN A 124 -0.199 -9.417 9.735 1.00 43.21 C ATOM 1837 O GLN A 124 0.570 -8.470 9.897 1.00 4.33 O ATOM 1838 CB GLN A 124 -0.758 -10.940 11.637 1.00 33.25 C ATOM 1839 CG GLN A 124 -1.211 -10.873 13.087 1.00 22.50 C ATOM 1840 CD GLN A 124 -2.693 -10.583 13.223 1.00 35.41 C ATOM 1841 OE1 GLN A 124 -3.524 -11.490 13.156 1.00 64.32 O ATOM 1842 NE2 GLN A 124 -3.033 -9.314 13.414 1.00 2.13 N ATOM 0 H GLN A 124 -2.661 -11.072 9.966 1.00 40.14 H new ATOM 0 HA GLN A 124 -1.387 -8.896 11.432 1.00 20.54 H new ATOM 0 HB2 GLN A 124 -1.118 -11.869 11.195 1.00 33.25 H new ATOM 0 HB3 GLN A 124 0.331 -10.974 11.606 1.00 33.25 H new ATOM 0 HG2 GLN A 124 -0.983 -11.819 13.579 1.00 22.50 H new ATOM 0 HG3 GLN A 124 -0.644 -10.099 13.605 1.00 22.50 H new ATOM 0 HE21 GLN A 124 -2.312 -8.595 13.463 1.00 2.13 H new ATOM 0 HE22 GLN A 124 -4.016 -9.058 13.512 1.00 2.13 H new ATOM 1851 N ALA A 125 -0.177 -10.189 8.653 1.00 30.23 N ATOM 1852 CA ALA A 125 0.772 -9.962 7.572 1.00 65.15 C ATOM 1853 C ALA A 125 0.914 -8.475 7.268 1.00 55.43 C ATOM 1854 O ALA A 125 1.978 -8.013 6.858 1.00 63.53 O ATOM 1855 CB ALA A 125 0.341 -10.718 6.323 1.00 25.14 C ATOM 0 H ALA A 125 -0.807 -10.977 8.503 1.00 30.23 H new ATOM 0 HA ALA A 125 1.745 -10.335 7.893 1.00 65.15 H new ATOM 0 HB1 ALA A 125 1.060 -10.539 5.523 1.00 25.14 H new ATOM 0 HB2 ALA A 125 0.298 -11.785 6.540 1.00 25.14 H new ATOM 0 HB3 ALA A 125 -0.644 -10.372 6.010 1.00 25.14 H new ATOM 1861 N ALA A 126 -0.167 -7.728 7.472 1.00 21.21 N ATOM 1862 CA ALA A 126 -0.163 -6.293 7.222 1.00 12.11 C ATOM 1863 C ALA A 126 1.069 -5.633 7.832 1.00 51.21 C ATOM 1864 O ALA A 126 1.796 -4.908 7.153 1.00 12.31 O ATOM 1865 CB ALA A 126 -1.431 -5.657 7.771 1.00 11.13 C ATOM 0 H ALA A 126 -1.057 -8.094 7.810 1.00 21.21 H new ATOM 0 HA ALA A 126 -0.130 -6.138 6.144 1.00 12.11 H new ATOM 0 HB1 ALA A 126 -1.414 -4.585 7.577 1.00 11.13 H new ATOM 0 HB2 ALA A 126 -2.300 -6.100 7.285 1.00 11.13 H new ATOM 0 HB3 ALA A 126 -1.489 -5.830 8.846 1.00 11.13 H new ATOM 1871 N GLN A 127 1.296 -5.888 9.117 1.00 24.50 N ATOM 1872 CA GLN A 127 2.439 -5.317 9.818 1.00 65.14 C ATOM 1873 C GLN A 127 3.707 -5.430 8.976 1.00 30.11 C ATOM 1874 O GLN A 127 4.562 -4.547 9.005 1.00 62.41 O ATOM 1875 CB GLN A 127 2.643 -6.017 11.163 1.00 74.30 C ATOM 1876 CG GLN A 127 1.988 -5.294 12.329 1.00 4.12 C ATOM 1877 CD GLN A 127 2.986 -4.886 13.396 1.00 74.52 C ATOM 1878 OE1 GLN A 127 3.550 -3.793 13.348 1.00 1.11 O ATOM 1879 NE2 GLN A 127 3.209 -5.765 14.365 1.00 32.31 N ATOM 0 H GLN A 127 0.703 -6.486 9.693 1.00 24.50 H new ATOM 0 HA GLN A 127 2.233 -4.261 9.994 1.00 65.14 H new ATOM 0 HB2 GLN A 127 2.242 -7.029 11.102 1.00 74.30 H new ATOM 0 HB3 GLN A 127 3.712 -6.109 11.357 1.00 74.30 H new ATOM 0 HG2 GLN A 127 1.474 -4.407 11.959 1.00 4.12 H new ATOM 0 HG3 GLN A 127 1.230 -5.940 12.773 1.00 4.12 H new ATOM 0 HE21 GLN A 127 2.719 -6.659 14.365 1.00 32.31 H new ATOM 0 HE22 GLN A 127 3.871 -5.546 15.110 1.00 32.31 H new ATOM 1888 N GLU A 128 3.819 -6.524 8.229 1.00 30.10 N ATOM 1889 CA GLU A 128 4.983 -6.753 7.380 1.00 12.53 C ATOM 1890 C GLU A 128 5.045 -5.726 6.254 1.00 14.20 C ATOM 1891 O GLU A 128 6.031 -5.002 6.112 1.00 45.24 O ATOM 1892 CB GLU A 128 4.945 -8.165 6.795 1.00 21.43 C ATOM 1893 CG GLU A 128 4.912 -9.260 7.849 1.00 34.21 C ATOM 1894 CD GLU A 128 5.925 -9.035 8.956 1.00 54.12 C ATOM 1895 OE1 GLU A 128 7.125 -8.893 8.642 1.00 11.00 O ATOM 1896 OE2 GLU A 128 5.515 -9.002 10.135 1.00 11.40 O ATOM 0 H GLU A 128 3.119 -7.265 8.194 1.00 30.10 H new ATOM 0 HA GLU A 128 5.876 -6.646 7.995 1.00 12.53 H new ATOM 0 HB2 GLU A 128 4.067 -8.261 6.156 1.00 21.43 H new ATOM 0 HB3 GLU A 128 5.819 -8.310 6.160 1.00 21.43 H new ATOM 0 HG2 GLU A 128 3.913 -9.313 8.281 1.00 34.21 H new ATOM 0 HG3 GLU A 128 5.106 -10.222 7.374 1.00 34.21 H new ATOM 1903 N LEU A 129 3.985 -5.668 5.454 1.00 34.24 N ATOM 1904 CA LEU A 129 3.917 -4.730 4.339 1.00 62.31 C ATOM 1905 C LEU A 129 4.259 -3.315 4.796 1.00 32.20 C ATOM 1906 O LEU A 129 5.109 -2.649 4.205 1.00 21.32 O ATOM 1907 CB LEU A 129 2.523 -4.753 3.712 1.00 51.22 C ATOM 1908 CG LEU A 129 2.290 -5.809 2.630 1.00 2.24 C ATOM 1909 CD1 LEU A 129 1.155 -6.739 3.029 1.00 33.35 C ATOM 1910 CD2 LEU A 129 1.995 -5.147 1.292 1.00 24.35 C ATOM 0 H LEU A 129 3.161 -6.260 5.557 1.00 34.24 H new ATOM 0 HA LEU A 129 4.649 -5.038 3.592 1.00 62.31 H new ATOM 0 HB2 LEU A 129 1.792 -4.908 4.506 1.00 51.22 H new ATOM 0 HB3 LEU A 129 2.324 -3.771 3.282 1.00 51.22 H new ATOM 0 HG LEU A 129 3.199 -6.402 2.526 1.00 2.24 H new ATOM 0 HD11 LEU A 129 1.003 -7.484 2.248 1.00 33.35 H new ATOM 0 HD12 LEU A 129 1.407 -7.240 3.964 1.00 33.35 H new ATOM 0 HD13 LEU A 129 0.241 -6.161 3.162 1.00 33.35 H new ATOM 0 HD21 LEU A 129 1.832 -5.914 0.535 1.00 24.35 H new ATOM 0 HD22 LEU A 129 1.101 -4.529 1.381 1.00 24.35 H new ATOM 0 HD23 LEU A 129 2.840 -4.523 1.001 1.00 24.35 H new ATOM 1922 N VAL A 130 3.592 -2.863 5.853 1.00 14.21 N ATOM 1923 CA VAL A 130 3.827 -1.528 6.392 1.00 73.32 C ATOM 1924 C VAL A 130 5.275 -1.363 6.837 1.00 30.31 C ATOM 1925 O VAL A 130 5.879 -0.308 6.643 1.00 3.44 O ATOM 1926 CB VAL A 130 2.898 -1.233 7.585 1.00 60.34 C ATOM 1927 CG1 VAL A 130 3.141 -2.227 8.711 1.00 50.42 C ATOM 1928 CG2 VAL A 130 3.093 0.195 8.070 1.00 71.23 C ATOM 0 H VAL A 130 2.885 -3.401 6.353 1.00 14.21 H new ATOM 0 HA VAL A 130 3.613 -0.821 5.591 1.00 73.32 H new ATOM 0 HB VAL A 130 1.865 -1.342 7.255 1.00 60.34 H new ATOM 0 HG11 VAL A 130 2.476 -2.002 9.545 1.00 50.42 H new ATOM 0 HG12 VAL A 130 2.945 -3.238 8.353 1.00 50.42 H new ATOM 0 HG13 VAL A 130 4.176 -2.154 9.044 1.00 50.42 H new ATOM 0 HG21 VAL A 130 2.429 0.387 8.913 1.00 71.23 H new ATOM 0 HG22 VAL A 130 4.128 0.335 8.384 1.00 71.23 H new ATOM 0 HG23 VAL A 130 2.862 0.889 7.261 1.00 71.23 H new ATOM 1938 N LYS A 131 5.828 -2.413 7.436 1.00 52.51 N ATOM 1939 CA LYS A 131 7.208 -2.387 7.908 1.00 12.35 C ATOM 1940 C LYS A 131 8.159 -1.980 6.788 1.00 41.14 C ATOM 1941 O LYS A 131 8.831 -0.952 6.871 1.00 55.10 O ATOM 1942 CB LYS A 131 7.606 -3.757 8.458 1.00 65.12 C ATOM 1943 CG LYS A 131 8.963 -3.768 9.141 1.00 50.34 C ATOM 1944 CD LYS A 131 9.094 -4.936 10.104 1.00 31.11 C ATOM 1945 CE LYS A 131 9.353 -6.240 9.366 1.00 35.30 C ATOM 1946 NZ LYS A 131 10.041 -7.239 10.229 1.00 22.40 N ATOM 0 H LYS A 131 5.341 -3.293 7.606 1.00 52.51 H new ATOM 0 HA LYS A 131 7.279 -1.648 8.706 1.00 12.35 H new ATOM 0 HB2 LYS A 131 6.848 -4.088 9.168 1.00 65.12 H new ATOM 0 HB3 LYS A 131 7.614 -4.479 7.641 1.00 65.12 H new ATOM 0 HG2 LYS A 131 9.749 -3.826 8.389 1.00 50.34 H new ATOM 0 HG3 LYS A 131 9.107 -2.832 9.681 1.00 50.34 H new ATOM 0 HD2 LYS A 131 9.909 -4.744 10.802 1.00 31.11 H new ATOM 0 HD3 LYS A 131 8.182 -5.026 10.695 1.00 31.11 H new ATOM 0 HE2 LYS A 131 8.407 -6.653 9.016 1.00 35.30 H new ATOM 0 HE3 LYS A 131 9.961 -6.043 8.483 1.00 35.30 H new ATOM 0 HZ1 LYS A 131 10.199 -8.114 9.689 1.00 22.40 H new ATOM 0 HZ2 LYS A 131 10.955 -6.856 10.543 1.00 22.40 H new ATOM 0 HZ3 LYS A 131 9.450 -7.447 11.059 1.00 22.40 H new ATOM 1960 N VAL A 132 8.210 -2.794 5.737 1.00 1.34 N ATOM 1961 CA VAL A 132 9.078 -2.517 4.597 1.00 32.25 C ATOM 1962 C VAL A 132 8.674 -1.222 3.902 1.00 25.33 C ATOM 1963 O VAL A 132 9.526 -0.427 3.507 1.00 42.13 O ATOM 1964 CB VAL A 132 9.045 -3.669 3.575 1.00 21.14 C ATOM 1965 CG1 VAL A 132 9.982 -3.378 2.413 1.00 2.33 C ATOM 1966 CG2 VAL A 132 9.406 -4.986 4.245 1.00 72.54 C ATOM 0 H VAL A 132 7.661 -3.650 5.651 1.00 1.34 H new ATOM 0 HA VAL A 132 10.091 -2.416 4.986 1.00 32.25 H new ATOM 0 HB VAL A 132 8.032 -3.754 3.181 1.00 21.14 H new ATOM 0 HG11 VAL A 132 9.946 -4.203 1.701 1.00 2.33 H new ATOM 0 HG12 VAL A 132 9.673 -2.457 1.918 1.00 2.33 H new ATOM 0 HG13 VAL A 132 11.000 -3.265 2.786 1.00 2.33 H new ATOM 0 HG21 VAL A 132 9.378 -5.789 3.508 1.00 72.54 H new ATOM 0 HG22 VAL A 132 10.408 -4.916 4.668 1.00 72.54 H new ATOM 0 HG23 VAL A 132 8.691 -5.198 5.040 1.00 72.54 H new ATOM 1976 N ALA A 133 7.370 -1.017 3.755 1.00 22.02 N ATOM 1977 CA ALA A 133 6.854 0.184 3.109 1.00 32.44 C ATOM 1978 C ALA A 133 7.671 1.411 3.497 1.00 21.00 C ATOM 1979 O ALA A 133 8.031 2.222 2.645 1.00 14.41 O ATOM 1980 CB ALA A 133 5.388 0.387 3.468 1.00 25.03 C ATOM 0 H ALA A 133 6.651 -1.667 4.074 1.00 22.02 H new ATOM 0 HA ALA A 133 6.938 0.052 2.030 1.00 32.44 H new ATOM 0 HB1 ALA A 133 5.015 1.287 2.979 1.00 25.03 H new ATOM 0 HB2 ALA A 133 4.809 -0.474 3.134 1.00 25.03 H new ATOM 0 HB3 ALA A 133 5.289 0.493 4.548 1.00 25.03 H new ATOM 1986 N ARG A 134 7.960 1.539 4.788 1.00 53.45 N ATOM 1987 CA ARG A 134 8.734 2.669 5.288 1.00 13.44 C ATOM 1988 C ARG A 134 10.157 2.640 4.739 1.00 30.31 C ATOM 1989 O ARG A 134 10.652 3.639 4.217 1.00 35.14 O ATOM 1990 CB ARG A 134 8.765 2.656 6.817 1.00 20.31 C ATOM 1991 CG ARG A 134 7.392 2.782 7.456 1.00 30.14 C ATOM 1992 CD ARG A 134 7.460 2.597 8.965 1.00 55.34 C ATOM 1993 NE ARG A 134 7.910 3.809 9.644 1.00 13.31 N ATOM 1994 CZ ARG A 134 8.143 3.875 10.950 1.00 3.42 C ATOM 1995 NH1 ARG A 134 7.971 2.804 11.713 1.00 64.32 N ATOM 1996 NH2 ARG A 134 8.550 5.014 11.496 1.00 44.12 N ATOM 0 H ARG A 134 7.670 0.875 5.506 1.00 53.45 H new ATOM 0 HA ARG A 134 8.252 3.586 4.949 1.00 13.44 H new ATOM 0 HB2 ARG A 134 9.230 1.730 7.154 1.00 20.31 H new ATOM 0 HB3 ARG A 134 9.395 3.474 7.166 1.00 20.31 H new ATOM 0 HG2 ARG A 134 6.971 3.761 7.227 1.00 30.14 H new ATOM 0 HG3 ARG A 134 6.720 2.038 7.027 1.00 30.14 H new ATOM 0 HD2 ARG A 134 6.476 2.315 9.341 1.00 55.34 H new ATOM 0 HD3 ARG A 134 8.138 1.777 9.200 1.00 55.34 H new ATOM 0 HE ARG A 134 8.053 4.650 9.085 1.00 13.31 H new ATOM 0 HH11 ARG A 134 7.659 1.926 11.297 1.00 64.32 H new ATOM 0 HH12 ARG A 134 8.151 2.858 12.716 1.00 64.32 H new ATOM 0 HH21 ARG A 134 8.684 5.840 10.913 1.00 44.12 H new ATOM 0 HH22 ARG A 134 8.729 5.064 12.499 1.00 44.12 H new ATOM 2010 N GLU A 135 10.808 1.488 4.860 1.00 4.34 N ATOM 2011 CA GLU A 135 12.176 1.330 4.378 1.00 74.13 C ATOM 2012 C GLU A 135 12.376 2.074 3.061 1.00 4.23 C ATOM 2013 O GLU A 135 13.438 2.648 2.814 1.00 22.53 O ATOM 2014 CB GLU A 135 12.507 -0.153 4.193 1.00 14.20 C ATOM 2015 CG GLU A 135 12.636 -0.915 5.501 1.00 74.01 C ATOM 2016 CD GLU A 135 13.873 -1.790 5.547 1.00 43.35 C ATOM 2017 OE1 GLU A 135 13.869 -2.859 4.900 1.00 43.30 O ATOM 2018 OE2 GLU A 135 14.846 -1.406 6.229 1.00 70.22 O ATOM 0 H GLU A 135 10.411 0.651 5.287 1.00 4.34 H new ATOM 0 HA GLU A 135 12.849 1.755 5.123 1.00 74.13 H new ATOM 0 HB2 GLU A 135 11.729 -0.617 3.587 1.00 14.20 H new ATOM 0 HB3 GLU A 135 13.440 -0.242 3.637 1.00 14.20 H new ATOM 0 HG2 GLU A 135 12.666 -0.206 6.329 1.00 74.01 H new ATOM 0 HG3 GLU A 135 11.751 -1.535 5.645 1.00 74.01 H new ATOM 2025 N VAL A 136 11.350 2.061 2.217 1.00 53.12 N ATOM 2026 CA VAL A 136 11.412 2.735 0.926 1.00 53.13 C ATOM 2027 C VAL A 136 11.344 4.249 1.092 1.00 12.13 C ATOM 2028 O VAL A 136 12.267 4.968 0.711 1.00 41.21 O ATOM 2029 CB VAL A 136 10.269 2.280 0.000 1.00 43.25 C ATOM 2030 CG1 VAL A 136 10.354 2.992 -1.342 1.00 53.05 C ATOM 2031 CG2 VAL A 136 10.304 0.770 -0.186 1.00 53.32 C ATOM 0 H VAL A 136 10.465 1.590 2.404 1.00 53.12 H new ATOM 0 HA VAL A 136 12.366 2.464 0.474 1.00 53.13 H new ATOM 0 HB VAL A 136 9.320 2.545 0.466 1.00 43.25 H new ATOM 0 HG11 VAL A 136 9.538 2.658 -1.983 1.00 53.05 H new ATOM 0 HG12 VAL A 136 10.277 4.068 -1.188 1.00 53.05 H new ATOM 0 HG13 VAL A 136 11.307 2.760 -1.817 1.00 53.05 H new ATOM 0 HG21 VAL A 136 9.489 0.465 -0.843 1.00 53.32 H new ATOM 0 HG22 VAL A 136 11.256 0.480 -0.630 1.00 53.32 H new ATOM 0 HG23 VAL A 136 10.191 0.281 0.782 1.00 53.32 H new