USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 875 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 66 LYS NZ :NH3+ -116:sc= 0.182 (180deg=-0.0171) USER MOD Set 1.2: A 101 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 58 THR OG1 : rot -87:sc= 0.149 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -2.77 X(o=-2.6,f=-2.6) USER MOD Set 3.1: A 23 TYR OH : rot -96:sc= 0.0767 USER MOD Set 3.2: A 34 MET CE :methyl -117:sc= -4.66! (180deg=-9.3!) USER MOD Single : A 14 ASN : amide:sc= 0.099 X(o=0.099,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -3.03 K(o=-3,f=-4.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.135) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -0.244 (180deg=-0.849) USER MOD Single : A 54 SER OG : rot 39:sc= 0.0225 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.176 USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 76 HIS :FLIP no HE2:sc= -0.968 F(o=-2.4!,f=-0.97) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -168:sc= 0.21 USER MOD Single : A 87 SER OG : rot 24:sc= 0.105 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -159:sc= -0.129 (180deg=-0.436) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -0.172 F(o=-0.93,f=-0.17) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -143:sc= -2.05 (180deg=-5.53!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -3.519 -8.802 -11.099 1.00 0.00 N ATOM 151 CA ASN A 14 -2.936 -8.153 -9.931 1.00 0.00 C ATOM 152 C ASN A 14 -2.347 -6.794 -10.301 1.00 0.00 C ATOM 153 O ASN A 14 -1.132 -6.621 -10.393 1.00 0.00 O ATOM 154 CB ASN A 14 -1.852 -9.040 -9.317 1.00 0.00 C ATOM 155 CG ASN A 14 -1.161 -9.909 -10.351 1.00 0.00 C ATOM 156 OD1 ASN A 14 -1.087 -11.129 -10.203 1.00 0.00 O ATOM 157 ND2 ASN A 14 -0.651 -9.282 -11.404 1.00 0.00 N ATOM 0 HA ASN A 14 -3.728 -7.999 -9.199 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.112 -8.413 -8.820 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.297 -9.675 -8.551 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.174 -9.813 -12.132 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.736 -8.269 -11.485 1.00 0.00 H new ATOM 164 N PRO A 15 -3.229 -5.807 -10.516 1.00 0.00 N ATOM 165 CA PRO A 15 -2.820 -4.446 -10.878 1.00 0.00 C ATOM 166 C PRO A 15 -2.139 -3.719 -9.723 1.00 0.00 C ATOM 167 O PRO A 15 -1.056 -3.156 -9.884 1.00 0.00 O ATOM 168 CB PRO A 15 -4.142 -3.762 -11.235 1.00 0.00 C ATOM 169 CG PRO A 15 -5.178 -4.520 -10.479 1.00 0.00 C ATOM 170 CD PRO A 15 -4.692 -5.942 -10.423 1.00 0.00 C ATOM 0 HA PRO A 15 -2.090 -4.441 -11.687 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.133 -2.710 -10.949 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.329 -3.799 -12.308 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.306 -4.112 -9.477 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.147 -4.458 -10.975 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.992 -6.433 -9.497 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.094 -6.536 -11.244 1.00 0.00 H new ATOM 178 N HIS A 16 -2.781 -3.735 -8.559 1.00 0.00 N ATOM 179 CA HIS A 16 -2.236 -3.078 -7.377 1.00 0.00 C ATOM 180 C HIS A 16 -0.735 -3.324 -7.261 1.00 0.00 C ATOM 181 O HIS A 16 0.057 -2.383 -7.222 1.00 0.00 O ATOM 182 CB HIS A 16 -2.945 -3.577 -6.117 1.00 0.00 C ATOM 183 CG HIS A 16 -3.177 -5.057 -6.108 1.00 0.00 C ATOM 184 ND1 HIS A 16 -2.310 -5.951 -5.516 1.00 0.00 N ATOM 185 CD2 HIS A 16 -4.187 -5.798 -6.621 1.00 0.00 C ATOM 186 CE1 HIS A 16 -2.776 -7.178 -5.666 1.00 0.00 C ATOM 187 NE2 HIS A 16 -3.914 -7.113 -6.334 1.00 0.00 N ATOM 0 H HIS A 16 -3.679 -4.196 -8.409 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.404 -2.006 -7.479 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -2.352 -3.305 -5.244 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.903 -3.066 -6.023 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.047 -5.425 -7.156 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.307 -8.081 -5.304 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.495 -7.910 -6.594 1.00 0.00 H new ATOM 196 N GLU A 17 -0.351 -4.596 -7.207 1.00 0.00 N ATOM 197 CA GLU A 17 1.055 -4.965 -7.094 1.00 0.00 C ATOM 198 C GLU A 17 1.922 -4.087 -7.993 1.00 0.00 C ATOM 199 O GLU A 17 3.025 -3.692 -7.616 1.00 0.00 O ATOM 200 CB GLU A 17 1.250 -6.438 -7.460 1.00 0.00 C ATOM 201 CG GLU A 17 0.676 -7.401 -6.434 1.00 0.00 C ATOM 202 CD GLU A 17 0.861 -8.853 -6.829 1.00 0.00 C ATOM 203 OE1 GLU A 17 2.023 -9.281 -6.990 1.00 0.00 O ATOM 204 OE2 GLU A 17 -0.157 -9.561 -6.977 1.00 0.00 O ATOM 0 H GLU A 17 -0.994 -5.387 -7.240 1.00 0.00 H new ATOM 0 HA GLU A 17 1.362 -4.811 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.783 -6.629 -8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.315 -6.637 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.155 -7.227 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.387 -7.196 -6.304 1.00 0.00 H new ATOM 211 N SER A 18 1.414 -3.788 -9.185 1.00 0.00 N ATOM 212 CA SER A 18 2.142 -2.961 -10.140 1.00 0.00 C ATOM 213 C SER A 18 2.057 -1.487 -9.758 1.00 0.00 C ATOM 214 O SER A 18 3.055 -0.766 -9.788 1.00 0.00 O ATOM 215 CB SER A 18 1.587 -3.167 -11.551 1.00 0.00 C ATOM 216 OG SER A 18 2.223 -4.258 -12.195 1.00 0.00 O ATOM 0 H SER A 18 0.502 -4.106 -9.512 1.00 0.00 H new ATOM 0 HA SER A 18 3.189 -3.263 -10.121 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.513 -3.346 -11.500 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.731 -2.260 -12.138 1.00 0.00 H new ATOM 0 HG SER A 18 1.850 -4.370 -13.094 1.00 0.00 H new ATOM 222 N LYS A 19 0.857 -1.043 -9.399 1.00 0.00 N ATOM 223 CA LYS A 19 0.638 0.345 -9.010 1.00 0.00 C ATOM 224 C LYS A 19 1.857 0.904 -8.284 1.00 0.00 C ATOM 225 O LYS A 19 2.539 0.205 -7.535 1.00 0.00 O ATOM 226 CB LYS A 19 -0.598 0.456 -8.114 1.00 0.00 C ATOM 227 CG LYS A 19 -1.899 0.141 -8.831 1.00 0.00 C ATOM 228 CD LYS A 19 -2.347 1.299 -9.707 1.00 0.00 C ATOM 229 CE LYS A 19 -3.819 1.185 -10.071 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.042 0.227 -11.190 1.00 0.00 N ATOM 0 H LYS A 19 0.020 -1.625 -9.369 1.00 0.00 H new ATOM 0 HA LYS A 19 0.476 0.930 -9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.485 -0.222 -7.268 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.652 1.466 -7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.771 -0.752 -9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.674 -0.083 -8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.172 2.240 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.747 1.322 -10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.385 0.861 -9.198 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.201 2.167 -10.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.054 -0.004 -11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.729 0.658 -12.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.499 -0.643 -11.016 1.00 0.00 H new ATOM 244 N PRO A 20 2.139 2.196 -8.509 1.00 0.00 N ATOM 245 CA PRO A 20 3.276 2.879 -7.884 1.00 0.00 C ATOM 246 C PRO A 20 3.078 3.082 -6.386 1.00 0.00 C ATOM 247 O PRO A 20 4.039 3.070 -5.616 1.00 0.00 O ATOM 248 CB PRO A 20 3.320 4.228 -8.605 1.00 0.00 C ATOM 249 CG PRO A 20 1.924 4.452 -9.075 1.00 0.00 C ATOM 250 CD PRO A 20 1.370 3.091 -9.390 1.00 0.00 C ATOM 0 HA PRO A 20 4.197 2.302 -7.973 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.645 5.024 -7.935 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.020 4.208 -9.440 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.329 4.948 -8.308 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.907 5.094 -9.956 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.301 3.035 -9.185 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.507 2.835 -10.441 1.00 0.00 H new ATOM 258 N TRP A 21 1.828 3.266 -5.979 1.00 0.00 N ATOM 259 CA TRP A 21 1.504 3.471 -4.571 1.00 0.00 C ATOM 260 C TRP A 21 1.459 2.143 -3.824 1.00 0.00 C ATOM 261 O TRP A 21 0.961 2.068 -2.701 1.00 0.00 O ATOM 262 CB TRP A 21 0.163 4.193 -4.435 1.00 0.00 C ATOM 263 CG TRP A 21 -0.898 3.652 -5.344 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.303 4.179 -6.537 1.00 0.00 C ATOM 265 CD2 TRP A 21 -1.692 2.479 -5.131 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.300 3.404 -7.079 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.556 2.355 -6.237 1.00 0.00 C ATOM 268 CE3 TRP A 21 -1.755 1.521 -4.116 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.471 1.312 -6.352 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.664 0.486 -4.232 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.511 0.388 -5.344 1.00 0.00 C ATOM 0 H TRP A 21 1.021 3.278 -6.603 1.00 0.00 H new ATOM 0 HA TRP A 21 2.287 4.088 -4.130 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.179 4.117 -3.403 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.306 5.253 -4.646 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.899 5.073 -6.988 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -2.773 3.581 -7.965 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.105 1.588 -3.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.126 1.235 -7.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.722 -0.259 -3.453 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.209 -0.433 -5.407 1.00 0.00 H new ATOM 282 N TYR A 22 1.981 1.097 -4.455 1.00 0.00 N ATOM 283 CA TYR A 22 1.998 -0.230 -3.849 1.00 0.00 C ATOM 284 C TYR A 22 3.326 -0.491 -3.145 1.00 0.00 C ATOM 285 O TYR A 22 4.396 -0.231 -3.696 1.00 0.00 O ATOM 286 CB TYR A 22 1.753 -1.302 -4.913 1.00 0.00 C ATOM 287 CG TYR A 22 1.867 -2.714 -4.387 1.00 0.00 C ATOM 288 CD1 TYR A 22 0.864 -3.266 -3.598 1.00 0.00 C ATOM 289 CD2 TYR A 22 2.977 -3.498 -4.676 1.00 0.00 C ATOM 290 CE1 TYR A 22 0.964 -4.556 -3.114 1.00 0.00 C ATOM 291 CE2 TYR A 22 3.085 -4.789 -4.198 1.00 0.00 C ATOM 292 CZ TYR A 22 2.076 -5.314 -3.417 1.00 0.00 C ATOM 293 OH TYR A 22 2.180 -6.599 -2.938 1.00 0.00 O ATOM 0 H TYR A 22 2.398 1.142 -5.385 1.00 0.00 H new ATOM 0 HA TYR A 22 1.200 -0.273 -3.108 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.759 -1.160 -5.337 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.468 -1.167 -5.724 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.009 -2.676 -3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.770 -3.090 -5.286 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.176 -4.969 -2.502 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.954 -5.384 -4.434 1.00 0.00 H new ATOM 0 HH TYR A 22 3.023 -6.995 -3.244 1.00 0.00 H new ATOM 303 N TYR A 23 3.248 -1.007 -1.923 1.00 0.00 N ATOM 304 CA TYR A 23 4.442 -1.302 -1.141 1.00 0.00 C ATOM 305 C TYR A 23 4.367 -2.701 -0.539 1.00 0.00 C ATOM 306 O TYR A 23 3.338 -3.100 0.008 1.00 0.00 O ATOM 307 CB TYR A 23 4.619 -0.265 -0.030 1.00 0.00 C ATOM 308 CG TYR A 23 5.149 1.063 -0.520 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.465 1.193 -0.947 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.336 2.189 -0.554 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.954 2.405 -1.395 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.816 3.404 -1.002 1.00 0.00 C ATOM 313 CZ TYR A 23 6.126 3.507 -1.421 1.00 0.00 C ATOM 314 OH TYR A 23 6.609 4.716 -1.866 1.00 0.00 O ATOM 0 H TYR A 23 2.370 -1.229 -1.453 1.00 0.00 H new ATOM 0 HA TYR A 23 5.302 -1.259 -1.809 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.660 -0.105 0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.300 -0.663 0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.117 0.332 -0.928 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.310 2.113 -0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.980 2.489 -1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.169 4.269 -1.024 1.00 0.00 H new ATOM 0 HH TYR A 23 6.900 5.254 -1.100 1.00 0.00 H new ATOM 324 N ASP A 24 5.464 -3.443 -0.642 1.00 0.00 N ATOM 325 CA ASP A 24 5.525 -4.798 -0.107 1.00 0.00 C ATOM 326 C ASP A 24 6.495 -4.875 1.069 1.00 0.00 C ATOM 327 O ASP A 24 6.221 -5.537 2.069 1.00 0.00 O ATOM 328 CB ASP A 24 5.949 -5.782 -1.199 1.00 0.00 C ATOM 329 CG ASP A 24 6.186 -7.178 -0.659 1.00 0.00 C ATOM 330 OD1 ASP A 24 6.992 -7.321 0.285 1.00 0.00 O ATOM 331 OD2 ASP A 24 5.566 -8.129 -1.179 1.00 0.00 O ATOM 0 H ASP A 24 6.324 -3.129 -1.092 1.00 0.00 H new ATOM 0 HA ASP A 24 4.530 -5.067 0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.179 -5.819 -1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.860 -5.421 -1.676 1.00 0.00 H new ATOM 336 N ARG A 25 7.629 -4.194 0.939 1.00 0.00 N ATOM 337 CA ARG A 25 8.640 -4.187 1.990 1.00 0.00 C ATOM 338 C ARG A 25 8.415 -3.025 2.953 1.00 0.00 C ATOM 339 O ARG A 25 8.572 -3.171 4.166 1.00 0.00 O ATOM 340 CB ARG A 25 10.039 -4.094 1.379 1.00 0.00 C ATOM 341 CG ARG A 25 10.429 -5.314 0.561 1.00 0.00 C ATOM 342 CD ARG A 25 11.697 -5.065 -0.241 1.00 0.00 C ATOM 343 NE ARG A 25 12.900 -5.377 0.527 1.00 0.00 N ATOM 344 CZ ARG A 25 13.424 -6.595 0.609 1.00 0.00 C ATOM 345 NH1 ARG A 25 12.854 -7.610 -0.026 1.00 0.00 N ATOM 346 NH2 ARG A 25 14.521 -6.799 1.327 1.00 0.00 N ATOM 0 H ARG A 25 7.871 -3.640 0.117 1.00 0.00 H new ATOM 0 HA ARG A 25 8.556 -5.120 2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.091 -3.210 0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.767 -3.955 2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.578 -6.166 1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.615 -5.575 -0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.678 -5.671 -1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.728 -4.022 -0.556 1.00 0.00 H new ATOM 0 HE ARG A 25 13.363 -4.618 1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.011 -7.457 -0.579 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.259 -8.544 0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.962 -6.020 1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.923 -7.734 1.390 1.00 0.00 H new ATOM 360 N LEU A 26 8.047 -1.872 2.405 1.00 0.00 N ATOM 361 CA LEU A 26 7.801 -0.684 3.215 1.00 0.00 C ATOM 362 C LEU A 26 7.199 -1.061 4.565 1.00 0.00 C ATOM 363 O LEU A 26 6.493 -2.062 4.683 1.00 0.00 O ATOM 364 CB LEU A 26 6.867 0.276 2.477 1.00 0.00 C ATOM 365 CG LEU A 26 6.846 1.717 2.988 1.00 0.00 C ATOM 366 CD1 LEU A 26 8.164 2.411 2.684 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.683 2.484 2.373 1.00 0.00 C ATOM 0 H LEU A 26 7.912 -1.735 1.403 1.00 0.00 H new ATOM 0 HA LEU A 26 8.756 -0.189 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.150 0.289 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.854 -0.122 2.530 1.00 0.00 H new ATOM 0 HG LEU A 26 6.711 1.697 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.130 3.435 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.978 1.875 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.330 2.421 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.683 3.508 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.787 2.495 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.745 1.999 2.642 1.00 0.00 H new ATOM 379 N SER A 27 7.482 -0.250 5.580 1.00 0.00 N ATOM 380 CA SER A 27 6.969 -0.499 6.922 1.00 0.00 C ATOM 381 C SER A 27 6.743 0.812 7.669 1.00 0.00 C ATOM 382 O SER A 27 7.393 1.819 7.388 1.00 0.00 O ATOM 383 CB SER A 27 7.940 -1.385 7.706 1.00 0.00 C ATOM 384 OG SER A 27 7.931 -2.713 7.211 1.00 0.00 O ATOM 0 H SER A 27 8.063 0.584 5.498 1.00 0.00 H new ATOM 0 HA SER A 27 6.013 -1.014 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.948 -0.975 7.638 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.667 -1.385 8.761 1.00 0.00 H new ATOM 0 HG SER A 27 8.561 -3.259 7.727 1.00 0.00 H new ATOM 390 N ARG A 28 5.817 0.791 8.622 1.00 0.00 N ATOM 391 CA ARG A 28 5.503 1.977 9.409 1.00 0.00 C ATOM 392 C ARG A 28 6.751 2.825 9.635 1.00 0.00 C ATOM 393 O ARG A 28 6.711 4.050 9.526 1.00 0.00 O ATOM 394 CB ARG A 28 4.895 1.577 10.754 1.00 0.00 C ATOM 395 CG ARG A 28 5.836 0.768 11.632 1.00 0.00 C ATOM 396 CD ARG A 28 5.119 0.208 12.850 1.00 0.00 C ATOM 397 NE ARG A 28 4.252 -0.916 12.506 1.00 0.00 N ATOM 398 CZ ARG A 28 3.894 -1.859 13.371 1.00 0.00 C ATOM 399 NH1 ARG A 28 4.324 -1.812 14.624 1.00 0.00 N ATOM 400 NH2 ARG A 28 3.102 -2.850 12.983 1.00 0.00 N ATOM 0 H ARG A 28 5.271 -0.035 8.868 1.00 0.00 H new ATOM 0 HA ARG A 28 4.777 2.570 8.852 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.596 2.478 11.290 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.990 0.997 10.576 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.263 -0.050 11.052 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.666 1.397 11.954 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.854 -0.114 13.587 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.525 0.995 13.315 1.00 0.00 H new ATOM 0 HE ARG A 28 3.902 -0.981 11.550 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.931 -1.050 14.927 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.047 -2.537 15.286 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.768 -2.888 12.020 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.828 -3.574 13.647 1.00 0.00 H new ATOM 414 N GLY A 29 7.861 2.164 9.953 1.00 0.00 N ATOM 415 CA GLY A 29 9.105 2.872 10.190 1.00 0.00 C ATOM 416 C GLY A 29 9.297 4.039 9.242 1.00 0.00 C ATOM 417 O GLY A 29 9.537 5.166 9.675 1.00 0.00 O ATOM 0 H GLY A 29 7.920 1.150 10.051 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.123 3.236 11.217 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.940 2.179 10.083 1.00 0.00 H new ATOM 421 N GLU A 30 9.194 3.769 7.944 1.00 0.00 N ATOM 422 CA GLU A 30 9.362 4.805 6.933 1.00 0.00 C ATOM 423 C GLU A 30 8.008 5.329 6.461 1.00 0.00 C ATOM 424 O GLU A 30 7.803 6.537 6.349 1.00 0.00 O ATOM 425 CB GLU A 30 10.154 4.263 5.741 1.00 0.00 C ATOM 426 CG GLU A 30 11.589 3.897 6.081 1.00 0.00 C ATOM 427 CD GLU A 30 12.526 5.088 6.019 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.647 5.693 4.933 1.00 0.00 O ATOM 429 OE2 GLU A 30 13.137 5.416 7.058 1.00 0.00 O ATOM 0 H GLU A 30 8.995 2.842 7.569 1.00 0.00 H new ATOM 0 HA GLU A 30 9.915 5.629 7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.646 3.382 5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.157 5.010 4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.622 3.465 7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.937 3.129 5.390 1.00 0.00 H new ATOM 436 N ALA A 31 7.088 4.411 6.186 1.00 0.00 N ATOM 437 CA ALA A 31 5.754 4.779 5.728 1.00 0.00 C ATOM 438 C ALA A 31 5.297 6.088 6.364 1.00 0.00 C ATOM 439 O ALA A 31 5.046 7.071 5.668 1.00 0.00 O ATOM 440 CB ALA A 31 4.764 3.666 6.038 1.00 0.00 C ATOM 0 H ALA A 31 7.242 3.406 6.272 1.00 0.00 H new ATOM 0 HA ALA A 31 5.795 4.924 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.772 3.954 5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.074 2.752 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.736 3.493 7.114 1.00 0.00 H new ATOM 446 N GLU A 32 5.192 6.092 7.689 1.00 0.00 N ATOM 447 CA GLU A 32 4.764 7.281 8.417 1.00 0.00 C ATOM 448 C GLU A 32 5.606 8.491 8.025 1.00 0.00 C ATOM 449 O GLU A 32 5.073 9.560 7.725 1.00 0.00 O ATOM 450 CB GLU A 32 4.861 7.045 9.926 1.00 0.00 C ATOM 451 CG GLU A 32 3.761 6.152 10.474 1.00 0.00 C ATOM 452 CD GLU A 32 4.047 5.673 11.884 1.00 0.00 C ATOM 453 OE1 GLU A 32 3.668 6.381 12.840 1.00 0.00 O ATOM 454 OE2 GLU A 32 4.651 4.590 12.031 1.00 0.00 O ATOM 0 H GLU A 32 5.397 5.286 8.280 1.00 0.00 H new ATOM 0 HA GLU A 32 3.725 7.482 8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.828 6.597 10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.826 8.006 10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.817 6.697 10.464 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.638 5.289 9.819 1.00 0.00 H new ATOM 461 N ASP A 33 6.922 8.316 8.030 1.00 0.00 N ATOM 462 CA ASP A 33 7.839 9.393 7.675 1.00 0.00 C ATOM 463 C ASP A 33 7.477 9.989 6.319 1.00 0.00 C ATOM 464 O ASP A 33 7.264 11.195 6.197 1.00 0.00 O ATOM 465 CB ASP A 33 9.279 8.878 7.652 1.00 0.00 C ATOM 466 CG ASP A 33 10.292 9.982 7.885 1.00 0.00 C ATOM 467 OD1 ASP A 33 10.171 10.692 8.905 1.00 0.00 O ATOM 468 OD2 ASP A 33 11.206 10.136 7.048 1.00 0.00 O ATOM 0 H ASP A 33 7.379 7.438 8.276 1.00 0.00 H new ATOM 0 HA ASP A 33 7.753 10.175 8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.400 8.111 8.417 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.477 8.404 6.691 1.00 0.00 H new ATOM 473 N MET A 34 7.411 9.136 5.301 1.00 0.00 N ATOM 474 CA MET A 34 7.074 9.580 3.954 1.00 0.00 C ATOM 475 C MET A 34 5.973 10.635 3.987 1.00 0.00 C ATOM 476 O MET A 34 6.138 11.736 3.462 1.00 0.00 O ATOM 477 CB MET A 34 6.632 8.391 3.098 1.00 0.00 C ATOM 478 CG MET A 34 7.786 7.530 2.612 1.00 0.00 C ATOM 479 SD MET A 34 7.449 6.752 1.020 1.00 0.00 S ATOM 480 CE MET A 34 6.172 5.582 1.478 1.00 0.00 C ATOM 0 H MET A 34 7.586 8.135 5.384 1.00 0.00 H new ATOM 0 HA MET A 34 7.965 10.026 3.512 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.946 7.772 3.677 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.077 8.761 2.236 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.683 8.144 2.529 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.995 6.758 3.352 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.528 4.567 1.302 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.929 5.703 2.534 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.280 5.763 0.878 1.00 0.00 H new ATOM 490 N LEU A 35 4.850 10.291 4.608 1.00 0.00 N ATOM 491 CA LEU A 35 3.721 11.209 4.710 1.00 0.00 C ATOM 492 C LEU A 35 4.148 12.530 5.342 1.00 0.00 C ATOM 493 O LEU A 35 3.964 13.597 4.758 1.00 0.00 O ATOM 494 CB LEU A 35 2.597 10.577 5.533 1.00 0.00 C ATOM 495 CG LEU A 35 1.596 9.721 4.755 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.992 10.515 3.608 1.00 0.00 C ATOM 497 CD2 LEU A 35 2.266 8.457 4.237 1.00 0.00 C ATOM 0 H LEU A 35 4.697 9.384 5.048 1.00 0.00 H new ATOM 0 HA LEU A 35 3.357 11.410 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.046 9.959 6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.049 11.374 6.036 1.00 0.00 H new ATOM 0 HG LEU A 35 0.792 9.431 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.283 9.889 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.476 11.390 4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.784 10.836 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.540 7.860 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.090 8.727 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.649 7.878 5.077 1.00 0.00 H new ATOM 509 N MET A 36 4.720 12.449 6.539 1.00 0.00 N ATOM 510 CA MET A 36 5.177 13.638 7.249 1.00 0.00 C ATOM 511 C MET A 36 5.808 14.638 6.285 1.00 0.00 C ATOM 512 O MET A 36 5.608 15.846 6.410 1.00 0.00 O ATOM 513 CB MET A 36 6.183 13.255 8.336 1.00 0.00 C ATOM 514 CG MET A 36 5.636 12.260 9.346 1.00 0.00 C ATOM 515 SD MET A 36 6.375 12.451 10.980 1.00 0.00 S ATOM 516 CE MET A 36 4.950 12.178 12.030 1.00 0.00 C ATOM 0 H MET A 36 4.878 11.573 7.037 1.00 0.00 H new ATOM 0 HA MET A 36 4.311 14.107 7.716 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.071 12.832 7.865 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.499 14.156 8.861 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.556 12.384 9.423 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.816 11.247 8.986 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.247 12.263 13.075 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.186 12.923 11.807 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.549 11.181 11.847 1.00 0.00 H new ATOM 526 N ARG A 37 6.571 14.126 5.325 1.00 0.00 N ATOM 527 CA ARG A 37 7.233 14.975 4.341 1.00 0.00 C ATOM 528 C ARG A 37 6.231 15.508 3.321 1.00 0.00 C ATOM 529 O ARG A 37 6.250 16.690 2.977 1.00 0.00 O ATOM 530 CB ARG A 37 8.339 14.196 3.626 1.00 0.00 C ATOM 531 CG ARG A 37 9.502 13.823 4.530 1.00 0.00 C ATOM 532 CD ARG A 37 10.229 12.588 4.021 1.00 0.00 C ATOM 533 NE ARG A 37 11.176 12.909 2.956 1.00 0.00 N ATOM 534 CZ ARG A 37 12.235 12.163 2.665 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.482 11.058 3.354 1.00 0.00 N ATOM 536 NH2 ARG A 37 13.050 12.522 1.681 1.00 0.00 N ATOM 0 H ARG A 37 6.746 13.128 5.207 1.00 0.00 H new ATOM 0 HA ARG A 37 7.675 15.821 4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.915 13.287 3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.713 14.793 2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.200 14.658 4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.135 13.640 5.540 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.759 12.114 4.847 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.501 11.865 3.653 1.00 0.00 H new ATOM 0 HE ARG A 37 11.015 13.753 2.406 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.858 10.778 4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.297 10.487 3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.863 13.371 1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.864 11.949 1.458 1.00 0.00 H new ATOM 550 N ILE A 38 5.358 14.629 2.842 1.00 0.00 N ATOM 551 CA ILE A 38 4.348 15.011 1.862 1.00 0.00 C ATOM 552 C ILE A 38 3.608 16.271 2.300 1.00 0.00 C ATOM 553 O ILE A 38 2.791 16.252 3.221 1.00 0.00 O ATOM 554 CB ILE A 38 3.327 13.881 1.635 1.00 0.00 C ATOM 555 CG1 ILE A 38 4.028 12.630 1.103 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.239 14.335 0.673 1.00 0.00 C ATOM 557 CD1 ILE A 38 4.717 12.843 -0.227 1.00 0.00 C ATOM 0 H ILE A 38 5.329 13.647 3.116 1.00 0.00 H new ATOM 0 HA ILE A 38 4.873 15.207 0.927 1.00 0.00 H new ATOM 0 HB ILE A 38 2.861 13.635 2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.764 12.297 1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.296 11.829 1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.525 13.525 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.724 15.201 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.688 14.605 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.193 11.915 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.982 13.147 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.473 13.621 -0.125 1.00 0.00 H new ATOM 569 N PRO A 39 3.897 17.392 1.623 1.00 0.00 N ATOM 570 CA PRO A 39 3.267 18.682 1.922 1.00 0.00 C ATOM 571 C PRO A 39 1.793 18.711 1.534 1.00 0.00 C ATOM 572 O PRO A 39 1.132 19.744 1.645 1.00 0.00 O ATOM 573 CB PRO A 39 4.064 19.672 1.069 1.00 0.00 C ATOM 574 CG PRO A 39 4.603 18.856 -0.055 1.00 0.00 C ATOM 575 CD PRO A 39 4.860 17.488 0.513 1.00 0.00 C ATOM 0 HA PRO A 39 3.284 18.907 2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.430 20.479 0.703 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.867 20.133 1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.891 18.809 -0.879 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.520 19.293 -0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.696 16.707 -0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.887 17.385 0.862 1.00 0.00 H new ATOM 583 N ARG A 40 1.282 17.571 1.079 1.00 0.00 N ATOM 584 CA ARG A 40 -0.114 17.467 0.674 1.00 0.00 C ATOM 585 C ARG A 40 -0.937 16.747 1.739 1.00 0.00 C ATOM 586 O ARG A 40 -0.681 15.585 2.055 1.00 0.00 O ATOM 587 CB ARG A 40 -0.226 16.725 -0.659 1.00 0.00 C ATOM 588 CG ARG A 40 0.603 17.345 -1.772 1.00 0.00 C ATOM 589 CD ARG A 40 -0.080 18.571 -2.359 1.00 0.00 C ATOM 590 NE ARG A 40 0.609 19.064 -3.548 1.00 0.00 N ATOM 591 CZ ARG A 40 0.541 20.323 -3.969 1.00 0.00 C ATOM 592 NH1 ARG A 40 -0.182 21.210 -3.299 1.00 0.00 N ATOM 593 NH2 ARG A 40 1.196 20.695 -5.060 1.00 0.00 N ATOM 0 H ARG A 40 1.815 16.707 0.982 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.508 18.476 0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.087 15.691 -0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.272 16.702 -0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.583 17.624 -1.385 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.768 16.608 -2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.111 18.325 -2.613 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.117 19.360 -1.608 1.00 0.00 H new ATOM 0 HE ARG A 40 1.174 18.406 -4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.687 20.927 -2.459 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.233 22.176 -3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.753 20.015 -5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.143 21.661 -5.382 1.00 0.00 H new ATOM 607 N ASP A 41 -1.924 17.446 2.288 1.00 0.00 N ATOM 608 CA ASP A 41 -2.785 16.874 3.317 1.00 0.00 C ATOM 609 C ASP A 41 -3.827 15.946 2.700 1.00 0.00 C ATOM 610 O ASP A 41 -4.832 16.400 2.155 1.00 0.00 O ATOM 611 CB ASP A 41 -3.478 17.985 4.108 1.00 0.00 C ATOM 612 CG ASP A 41 -2.491 18.919 4.780 1.00 0.00 C ATOM 613 OD1 ASP A 41 -1.748 19.615 4.057 1.00 0.00 O ATOM 614 OD2 ASP A 41 -2.462 18.954 6.028 1.00 0.00 O ATOM 0 H ASP A 41 -2.148 18.409 2.038 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.161 16.291 3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.118 18.559 3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.125 17.540 4.864 1.00 0.00 H new ATOM 619 N GLY A 42 -3.578 14.643 2.789 1.00 0.00 N ATOM 620 CA GLY A 42 -4.503 13.672 2.234 1.00 0.00 C ATOM 621 C GLY A 42 -3.794 12.477 1.626 1.00 0.00 C ATOM 622 O GLY A 42 -4.329 11.369 1.615 1.00 0.00 O ATOM 0 H GLY A 42 -2.753 14.243 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.179 13.330 3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.116 14.153 1.472 1.00 0.00 H new ATOM 626 N ALA A 43 -2.587 12.704 1.118 1.00 0.00 N ATOM 627 CA ALA A 43 -1.804 11.637 0.506 1.00 0.00 C ATOM 628 C ALA A 43 -1.987 10.322 1.256 1.00 0.00 C ATOM 629 O ALA A 43 -2.196 10.312 2.469 1.00 0.00 O ATOM 630 CB ALA A 43 -0.333 12.022 0.462 1.00 0.00 C ATOM 0 H ALA A 43 -2.130 13.616 1.118 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.162 11.495 -0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.240 11.217 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.213 12.933 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.029 12.193 1.476 1.00 0.00 H new ATOM 636 N PHE A 44 -1.908 9.214 0.526 1.00 0.00 N ATOM 637 CA PHE A 44 -2.067 7.893 1.122 1.00 0.00 C ATOM 638 C PHE A 44 -1.142 6.880 0.453 1.00 0.00 C ATOM 639 O PHE A 44 -0.634 7.116 -0.644 1.00 0.00 O ATOM 640 CB PHE A 44 -3.520 7.429 1.005 1.00 0.00 C ATOM 641 CG PHE A 44 -3.858 6.849 -0.338 1.00 0.00 C ATOM 642 CD1 PHE A 44 -4.246 7.670 -1.384 1.00 0.00 C ATOM 643 CD2 PHE A 44 -3.788 5.482 -0.555 1.00 0.00 C ATOM 644 CE1 PHE A 44 -4.558 7.139 -2.621 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.099 4.945 -1.790 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.483 5.774 -2.825 1.00 0.00 C ATOM 0 H PHE A 44 -1.735 9.205 -0.479 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.799 7.963 2.176 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.718 6.683 1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.180 8.274 1.203 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.305 8.737 -1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.487 4.829 0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.860 7.790 -3.428 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.042 3.878 -1.945 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.724 5.357 -3.792 1.00 0.00 H new ATOM 656 N LEU A 45 -0.928 5.752 1.122 1.00 0.00 N ATOM 657 CA LEU A 45 -0.064 4.702 0.593 1.00 0.00 C ATOM 658 C LEU A 45 -0.457 3.340 1.156 1.00 0.00 C ATOM 659 O LEU A 45 -0.744 3.208 2.346 1.00 0.00 O ATOM 660 CB LEU A 45 1.398 5.002 0.926 1.00 0.00 C ATOM 661 CG LEU A 45 1.883 4.536 2.300 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.396 3.107 2.228 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.965 5.468 2.827 1.00 0.00 C ATOM 0 H LEU A 45 -1.340 5.541 2.031 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.185 4.676 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.026 4.538 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.553 6.079 0.854 1.00 0.00 H new ATOM 0 HG LEU A 45 1.040 4.563 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.737 2.793 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.594 2.449 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.226 3.053 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.299 5.122 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.809 5.473 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.564 6.477 2.917 1.00 0.00 H new ATOM 675 N ILE A 46 -0.465 2.329 0.293 1.00 0.00 N ATOM 676 CA ILE A 46 -0.819 0.977 0.705 1.00 0.00 C ATOM 677 C ILE A 46 0.411 0.078 0.756 1.00 0.00 C ATOM 678 O ILE A 46 1.058 -0.164 -0.263 1.00 0.00 O ATOM 679 CB ILE A 46 -1.858 0.352 -0.245 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.142 1.185 -0.250 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.154 -1.083 0.163 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.155 0.727 -1.277 1.00 0.00 C ATOM 0 H ILE A 46 -0.230 2.421 -0.695 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.251 1.055 1.703 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.447 0.345 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.596 1.144 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.888 2.228 -0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.890 -1.510 -0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.236 -1.670 0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.548 -1.098 1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.039 1.362 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.719 0.795 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.437 -0.306 -1.074 1.00 0.00 H new ATOM 694 N ARG A 47 0.728 -0.416 1.949 1.00 0.00 N ATOM 695 CA ARG A 47 1.881 -1.289 2.133 1.00 0.00 C ATOM 696 C ARG A 47 1.494 -2.544 2.910 1.00 0.00 C ATOM 697 O ARG A 47 0.757 -2.475 3.894 1.00 0.00 O ATOM 698 CB ARG A 47 2.999 -0.546 2.866 1.00 0.00 C ATOM 699 CG ARG A 47 2.663 -0.214 4.311 1.00 0.00 C ATOM 700 CD ARG A 47 3.874 0.330 5.054 1.00 0.00 C ATOM 701 NE ARG A 47 3.569 0.635 6.449 1.00 0.00 N ATOM 702 CZ ARG A 47 3.315 -0.293 7.365 1.00 0.00 C ATOM 703 NH1 ARG A 47 3.329 -1.577 7.035 1.00 0.00 N ATOM 704 NH2 ARG A 47 3.046 0.063 8.615 1.00 0.00 N ATOM 0 H ARG A 47 0.202 -0.226 2.802 1.00 0.00 H new ATOM 0 HA ARG A 47 2.239 -1.588 1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.904 -1.153 2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.221 0.378 2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.858 0.520 4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.297 -1.108 4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.683 -0.399 5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.230 1.231 4.555 1.00 0.00 H new ATOM 0 HE ARG A 47 3.550 1.614 6.736 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.535 -1.855 6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.134 -2.287 7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.034 1.050 8.873 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.851 -0.650 9.318 1.00 0.00 H new ATOM 718 N LYS A 48 1.996 -3.689 2.462 1.00 0.00 N ATOM 719 CA LYS A 48 1.705 -4.960 3.115 1.00 0.00 C ATOM 720 C LYS A 48 2.177 -4.948 4.565 1.00 0.00 C ATOM 721 O LYS A 48 2.987 -4.108 4.957 1.00 0.00 O ATOM 722 CB LYS A 48 2.374 -6.111 2.359 1.00 0.00 C ATOM 723 CG LYS A 48 1.606 -7.419 2.439 1.00 0.00 C ATOM 724 CD LYS A 48 2.544 -8.611 2.530 1.00 0.00 C ATOM 725 CE LYS A 48 3.146 -8.950 1.175 1.00 0.00 C ATOM 726 NZ LYS A 48 2.098 -9.171 0.141 1.00 0.00 N ATOM 0 H LYS A 48 2.607 -3.763 1.649 1.00 0.00 H new ATOM 0 HA LYS A 48 0.625 -5.106 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.488 -5.830 1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.377 -6.263 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.950 -7.404 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.969 -7.522 1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.342 -8.394 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.001 -9.474 2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.804 -8.141 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.762 -9.845 1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.490 -9.744 -0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.291 -9.670 0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.780 -8.254 -0.233 1.00 0.00 H new ATOM 740 N ARG A 49 1.667 -5.885 5.357 1.00 0.00 N ATOM 741 CA ARG A 49 2.038 -5.982 6.764 1.00 0.00 C ATOM 742 C ARG A 49 3.074 -7.082 6.979 1.00 0.00 C ATOM 743 O ARG A 49 4.084 -6.873 7.649 1.00 0.00 O ATOM 744 CB ARG A 49 0.801 -6.256 7.622 1.00 0.00 C ATOM 745 CG ARG A 49 -0.040 -5.020 7.890 1.00 0.00 C ATOM 746 CD ARG A 49 0.664 -4.062 8.838 1.00 0.00 C ATOM 747 NE ARG A 49 0.785 -4.615 10.185 1.00 0.00 N ATOM 748 CZ ARG A 49 -0.166 -4.519 11.107 1.00 0.00 C ATOM 749 NH1 ARG A 49 -1.303 -3.895 10.829 1.00 0.00 N ATOM 750 NH2 ARG A 49 0.018 -5.048 12.310 1.00 0.00 N ATOM 0 H ARG A 49 0.996 -6.588 5.049 1.00 0.00 H new ATOM 0 HA ARG A 49 2.477 -5.030 7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.184 -7.005 7.126 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.117 -6.684 8.574 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.252 -4.512 6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.999 -5.316 8.316 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.656 -3.832 8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.112 -3.123 8.880 1.00 0.00 H new ATOM 0 HE ARG A 49 1.647 -5.101 10.431 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.448 -3.488 9.905 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.032 -3.823 11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.891 -5.529 12.528 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.713 -4.973 13.017 1.00 0.00 H new ATOM 812 N SER A 54 -2.920 -10.229 5.112 1.00 0.00 N ATOM 813 CA SER A 54 -3.492 -8.969 5.569 1.00 0.00 C ATOM 814 C SER A 54 -2.658 -7.786 5.085 1.00 0.00 C ATOM 815 O SER A 54 -1.468 -7.926 4.801 1.00 0.00 O ATOM 816 CB SER A 54 -3.586 -8.950 7.096 1.00 0.00 C ATOM 817 OG SER A 54 -4.475 -9.949 7.564 1.00 0.00 O ATOM 0 HA SER A 54 -4.494 -8.881 5.150 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.597 -9.108 7.526 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.926 -7.970 7.430 1.00 0.00 H new ATOM 0 HG SER A 54 -4.366 -10.762 7.027 1.00 0.00 H new ATOM 823 N TYR A 55 -3.291 -6.622 4.993 1.00 0.00 N ATOM 824 CA TYR A 55 -2.610 -5.415 4.541 1.00 0.00 C ATOM 825 C TYR A 55 -3.010 -4.213 5.391 1.00 0.00 C ATOM 826 O TYR A 55 -3.863 -4.317 6.271 1.00 0.00 O ATOM 827 CB TYR A 55 -2.930 -5.143 3.070 1.00 0.00 C ATOM 828 CG TYR A 55 -2.585 -6.294 2.153 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.410 -7.408 2.062 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.433 -6.267 1.376 1.00 0.00 C ATOM 831 CE1 TYR A 55 -3.098 -8.462 1.226 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.114 -7.317 0.535 1.00 0.00 C ATOM 833 CZ TYR A 55 -1.949 -8.412 0.464 1.00 0.00 C ATOM 834 OH TYR A 55 -1.635 -9.459 -0.371 1.00 0.00 O ATOM 0 H TYR A 55 -4.275 -6.489 5.226 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.537 -5.572 4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.992 -4.918 2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.386 -4.256 2.746 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.311 -7.451 2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.776 -5.412 1.430 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.750 -9.321 1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.216 -7.280 -0.063 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.795 -9.265 -0.837 1.00 0.00 H new ATOM 844 N ALA A 56 -2.386 -3.071 5.119 1.00 0.00 N ATOM 845 CA ALA A 56 -2.678 -1.847 5.856 1.00 0.00 C ATOM 846 C ALA A 56 -2.412 -0.614 5.000 1.00 0.00 C ATOM 847 O ALA A 56 -1.420 -0.555 4.272 1.00 0.00 O ATOM 848 CB ALA A 56 -1.856 -1.792 7.135 1.00 0.00 C ATOM 0 H ALA A 56 -1.676 -2.968 4.394 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.736 -1.854 6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.084 -0.873 7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.099 -2.651 7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.795 -1.813 6.887 1.00 0.00 H new ATOM 854 N ILE A 57 -3.303 0.367 5.090 1.00 0.00 N ATOM 855 CA ILE A 57 -3.163 1.599 4.324 1.00 0.00 C ATOM 856 C ILE A 57 -2.847 2.780 5.234 1.00 0.00 C ATOM 857 O ILE A 57 -3.262 2.815 6.393 1.00 0.00 O ATOM 858 CB ILE A 57 -4.440 1.911 3.521 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.236 3.160 2.662 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.623 2.095 4.460 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.387 3.441 1.722 1.00 0.00 C ATOM 0 H ILE A 57 -4.130 0.333 5.686 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.336 1.447 3.631 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.652 1.070 2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.092 4.021 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.322 3.045 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.518 2.315 3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.778 1.181 5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.421 2.921 5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.174 4.341 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.518 2.597 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.300 3.588 2.299 1.00 0.00 H new ATOM 873 N THR A 58 -2.109 3.750 4.702 1.00 0.00 N ATOM 874 CA THR A 58 -1.737 4.934 5.466 1.00 0.00 C ATOM 875 C THR A 58 -2.166 6.209 4.748 1.00 0.00 C ATOM 876 O THR A 58 -2.345 6.217 3.530 1.00 0.00 O ATOM 877 CB THR A 58 -0.219 4.986 5.717 1.00 0.00 C ATOM 878 OG1 THR A 58 0.234 3.735 6.245 1.00 0.00 O ATOM 879 CG2 THR A 58 0.131 6.107 6.685 1.00 0.00 C ATOM 0 H THR A 58 -1.757 3.738 3.745 1.00 0.00 H new ATOM 0 HA THR A 58 -2.254 4.868 6.423 1.00 0.00 H new ATOM 0 HB THR A 58 0.278 5.179 4.766 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.138 3.738 7.220 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.209 6.124 6.847 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.189 7.062 6.267 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.376 5.939 7.635 1.00 0.00 H new ATOM 887 N PHE A 59 -2.328 7.285 5.509 1.00 0.00 N ATOM 888 CA PHE A 59 -2.737 8.567 4.945 1.00 0.00 C ATOM 889 C PHE A 59 -2.365 9.715 5.878 1.00 0.00 C ATOM 890 O PHE A 59 -2.053 9.501 7.050 1.00 0.00 O ATOM 891 CB PHE A 59 -4.244 8.575 4.682 1.00 0.00 C ATOM 892 CG PHE A 59 -5.024 7.718 5.638 1.00 0.00 C ATOM 893 CD1 PHE A 59 -5.044 6.340 5.495 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.736 8.290 6.679 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.761 5.549 6.372 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.455 7.504 7.560 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.467 6.131 7.407 1.00 0.00 C ATOM 0 H PHE A 59 -2.182 7.296 6.519 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.210 8.705 4.001 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.610 9.600 4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.429 8.231 3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.493 5.879 4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.729 9.363 6.804 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.770 4.476 6.248 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.007 7.963 8.367 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.027 5.514 8.095 1.00 0.00 H new ATOM 907 N ARG A 60 -2.400 10.934 5.350 1.00 0.00 N ATOM 908 CA ARG A 60 -2.065 12.117 6.134 1.00 0.00 C ATOM 909 C ARG A 60 -3.327 12.859 6.563 1.00 0.00 C ATOM 910 O ARG A 60 -4.227 13.091 5.757 1.00 0.00 O ATOM 911 CB ARG A 60 -1.161 13.050 5.327 1.00 0.00 C ATOM 912 CG ARG A 60 -0.204 13.863 6.185 1.00 0.00 C ATOM 913 CD ARG A 60 0.941 14.429 5.359 1.00 0.00 C ATOM 914 NE ARG A 60 1.554 15.590 5.998 1.00 0.00 N ATOM 915 CZ ARG A 60 0.936 16.754 6.156 1.00 0.00 C ATOM 916 NH1 ARG A 60 -0.308 16.912 5.725 1.00 0.00 N ATOM 917 NH2 ARG A 60 1.561 17.764 6.748 1.00 0.00 N ATOM 0 H ARG A 60 -2.657 11.128 4.382 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.534 11.792 7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.585 12.458 4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.782 13.731 4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.746 14.678 6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.196 13.235 6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.696 13.657 5.209 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.572 14.711 4.373 1.00 0.00 H new ATOM 0 HE ARG A 60 2.510 15.502 6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.793 16.138 5.271 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.780 17.808 5.848 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.517 17.646 7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.085 18.658 6.869 1.00 0.00 H new ATOM 931 N ALA A 61 -3.385 13.229 7.839 1.00 0.00 N ATOM 932 CA ALA A 61 -4.535 13.946 8.375 1.00 0.00 C ATOM 933 C ALA A 61 -4.102 15.218 9.095 1.00 0.00 C ATOM 934 O ALA A 61 -3.734 15.184 10.269 1.00 0.00 O ATOM 935 CB ALA A 61 -5.325 13.048 9.316 1.00 0.00 C ATOM 0 H ALA A 61 -2.649 13.044 8.520 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.175 14.232 7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.181 13.596 9.709 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.675 12.170 8.773 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.686 12.734 10.141 1.00 0.00 H new ATOM 941 N ARG A 62 -4.147 16.340 8.383 1.00 0.00 N ATOM 942 CA ARG A 62 -3.757 17.623 8.954 1.00 0.00 C ATOM 943 C ARG A 62 -2.393 17.525 9.631 1.00 0.00 C ATOM 944 O ARG A 62 -2.179 18.087 10.704 1.00 0.00 O ATOM 945 CB ARG A 62 -4.806 18.097 9.962 1.00 0.00 C ATOM 946 CG ARG A 62 -6.065 18.649 9.315 1.00 0.00 C ATOM 947 CD ARG A 62 -5.852 20.063 8.797 1.00 0.00 C ATOM 948 NE ARG A 62 -7.113 20.780 8.626 1.00 0.00 N ATOM 949 CZ ARG A 62 -7.255 21.840 7.839 1.00 0.00 C ATOM 950 NH1 ARG A 62 -6.220 22.303 7.152 1.00 0.00 N ATOM 951 NH2 ARG A 62 -8.435 22.438 7.736 1.00 0.00 N ATOM 0 H ARG A 62 -4.450 16.386 7.410 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.689 18.348 8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.076 17.264 10.611 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.366 18.866 10.597 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.367 18.001 8.492 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.879 18.645 10.039 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.215 20.611 9.491 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.325 20.024 7.844 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.929 20.448 9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.312 21.845 7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.332 23.117 6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.234 22.084 8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.543 23.252 7.131 1.00 0.00 H new ATOM 965 N GLY A 63 -1.472 16.806 8.996 1.00 0.00 N ATOM 966 CA GLY A 63 -0.141 16.647 9.552 1.00 0.00 C ATOM 967 C GLY A 63 0.059 15.289 10.195 1.00 0.00 C ATOM 968 O GLY A 63 1.105 14.661 10.025 1.00 0.00 O ATOM 0 H GLY A 63 -1.624 16.331 8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.598 16.785 8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.035 17.426 10.293 1.00 0.00 H new ATOM 972 N LYS A 64 -0.944 14.833 10.937 1.00 0.00 N ATOM 973 CA LYS A 64 -0.874 13.541 11.609 1.00 0.00 C ATOM 974 C LYS A 64 -0.887 12.400 10.597 1.00 0.00 C ATOM 975 O LYS A 64 -1.162 12.608 9.415 1.00 0.00 O ATOM 976 CB LYS A 64 -2.043 13.386 12.584 1.00 0.00 C ATOM 977 CG LYS A 64 -1.787 14.007 13.946 1.00 0.00 C ATOM 978 CD LYS A 64 -1.089 13.033 14.880 1.00 0.00 C ATOM 979 CE LYS A 64 -2.047 11.967 15.391 1.00 0.00 C ATOM 980 NZ LYS A 64 -2.836 12.445 16.560 1.00 0.00 N ATOM 0 H LYS A 64 -1.816 15.340 11.088 1.00 0.00 H new ATOM 0 HA LYS A 64 0.063 13.499 12.165 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.932 13.842 12.148 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.259 12.325 12.713 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.176 14.902 13.830 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.733 14.321 14.387 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.259 12.557 14.357 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.665 13.577 15.724 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.726 11.675 14.590 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.484 11.077 15.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.477 11.690 16.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.190 12.700 17.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.393 13.279 16.285 1.00 0.00 H new ATOM 994 N VAL A 65 -0.588 11.193 11.068 1.00 0.00 N ATOM 995 CA VAL A 65 -0.568 10.019 10.205 1.00 0.00 C ATOM 996 C VAL A 65 -1.414 8.893 10.788 1.00 0.00 C ATOM 997 O VAL A 65 -1.092 8.341 11.841 1.00 0.00 O ATOM 998 CB VAL A 65 0.868 9.507 9.987 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.860 8.227 9.165 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.718 10.575 9.316 1.00 0.00 C ATOM 0 H VAL A 65 -0.356 11.003 12.043 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.987 10.325 9.246 1.00 0.00 H new ATOM 0 HB VAL A 65 1.307 9.283 10.959 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.883 7.880 9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.288 7.462 9.689 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.403 8.421 8.195 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.730 10.196 9.170 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.283 10.832 8.350 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.751 11.463 9.947 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.498 8.556 10.098 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.391 7.494 10.545 1.00 0.00 C ATOM 1012 C LYS A 66 -3.116 6.197 9.791 1.00 0.00 C ATOM 1013 O LYS A 66 -2.354 6.180 8.823 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.851 7.910 10.348 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.248 9.134 11.156 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.642 8.761 12.576 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.835 9.995 13.443 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.975 10.831 12.973 1.00 0.00 N ATOM 0 H LYS A 66 -2.780 9.004 9.226 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.207 7.323 11.606 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.023 8.111 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.498 7.077 10.624 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.418 9.840 11.181 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.081 9.639 10.667 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.564 8.180 12.558 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.872 8.125 13.013 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.010 9.690 14.475 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.922 10.590 13.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.620 11.757 12.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.450 10.356 12.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.652 10.965 13.751 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.740 5.113 10.240 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.563 3.811 9.605 1.00 0.00 C ATOM 1034 C HIS A 67 -4.823 2.963 9.745 1.00 0.00 C ATOM 1035 O HIS A 67 -5.446 2.929 10.807 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.370 3.078 10.221 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.180 3.958 10.449 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -0.196 4.153 9.504 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -0.819 4.698 11.524 1.00 0.00 C ATOM 1040 CE1 HIS A 67 0.720 4.974 9.987 1.00 0.00 C ATOM 1041 NE2 HIS A 67 0.365 5.319 11.211 1.00 0.00 N ATOM 0 H HIS A 67 -4.372 5.110 11.040 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.372 3.974 8.544 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.675 2.639 11.171 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.083 2.255 9.567 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.361 4.784 12.454 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.608 5.306 9.469 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.886 5.945 11.825 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.194 2.281 8.667 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.381 1.434 8.669 1.00 0.00 C ATOM 1052 C CYS A 68 -6.011 -0.022 8.408 1.00 0.00 C ATOM 1053 O CYS A 68 -4.954 -0.314 7.848 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.378 1.916 7.614 1.00 0.00 C ATOM 1055 SG CYS A 68 -9.044 1.239 7.809 1.00 0.00 S ATOM 0 H CYS A 68 -4.690 2.298 7.781 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.843 1.501 9.654 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.433 3.004 7.652 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.002 1.650 6.626 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.815 1.706 6.872 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.886 -0.933 8.820 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.650 -2.360 8.634 1.00 0.00 C ATOM 1063 C ARG A 69 -7.340 -2.865 7.370 1.00 0.00 C ATOM 1064 O ARG A 69 -8.516 -2.581 7.138 1.00 0.00 O ATOM 1065 CB ARG A 69 -7.148 -3.144 9.849 1.00 0.00 C ATOM 1066 CG ARG A 69 -6.831 -4.629 9.787 1.00 0.00 C ATOM 1067 CD ARG A 69 -5.484 -4.938 10.423 1.00 0.00 C ATOM 1068 NE ARG A 69 -5.407 -6.316 10.900 1.00 0.00 N ATOM 1069 CZ ARG A 69 -4.575 -6.718 11.854 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -3.752 -5.851 12.429 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -4.564 -7.989 12.235 1.00 0.00 N ATOM 0 H ARG A 69 -7.766 -0.708 9.285 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.576 -2.514 8.527 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.702 -2.723 10.750 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.227 -3.015 9.937 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.613 -5.191 10.298 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.828 -4.959 8.748 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.691 -4.761 9.696 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.311 -4.256 11.256 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.026 -7.008 10.477 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.757 -4.873 12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.114 -6.162 13.161 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.195 -8.659 11.795 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.924 -8.296 12.968 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.602 -3.614 6.558 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.144 -4.159 5.319 1.00 0.00 C ATOM 1087 C ILE A 70 -7.245 -5.679 5.385 1.00 0.00 C ATOM 1088 O ILE A 70 -6.232 -6.378 5.393 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.281 -3.764 4.106 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.235 -2.242 3.959 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -6.823 -4.409 2.839 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.084 -1.752 3.109 1.00 0.00 C ATOM 0 H ILE A 70 -5.627 -3.857 6.735 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.141 -3.737 5.197 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.265 -4.124 4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.172 -1.899 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.163 -1.791 4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.203 -4.121 1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.808 -5.493 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.847 -4.075 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.114 -0.664 3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.141 -2.065 3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.166 -2.174 2.107 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.473 -6.184 5.430 1.00 0.00 N ATOM 1105 CA ASN A 71 -8.707 -7.622 5.494 1.00 0.00 C ATOM 1106 C ASN A 71 -9.201 -8.153 4.152 1.00 0.00 C ATOM 1107 O ASN A 71 -9.859 -7.438 3.394 1.00 0.00 O ATOM 1108 CB ASN A 71 -9.724 -7.947 6.589 1.00 0.00 C ATOM 1109 CG ASN A 71 -9.528 -7.098 7.831 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -8.347 -7.193 8.432 1.00 0.00 O flip ATOM 1111 ND2 ASN A 71 -10.426 -6.365 8.243 1.00 0.00 N flip ATOM 0 H ASN A 71 -9.322 -5.619 5.423 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.761 -8.108 5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.732 -7.793 6.202 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.642 -9.001 6.856 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.318 -6.324 7.749 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.279 -5.798 9.078 1.00 0.00 H new ATOM 1118 N ARG A 72 -8.881 -9.410 3.864 1.00 0.00 N ATOM 1119 CA ARG A 72 -9.292 -10.036 2.613 1.00 0.00 C ATOM 1120 C ARG A 72 -10.272 -11.176 2.873 1.00 0.00 C ATOM 1121 O ARG A 72 -9.936 -12.159 3.534 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.071 -10.562 1.856 1.00 0.00 C ATOM 1123 CG ARG A 72 -8.376 -10.989 0.430 1.00 0.00 C ATOM 1124 CD ARG A 72 -7.123 -10.990 -0.432 1.00 0.00 C ATOM 1125 NE ARG A 72 -6.443 -12.283 -0.406 1.00 0.00 N ATOM 1126 CZ ARG A 72 -5.634 -12.707 -1.370 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -5.405 -11.945 -2.431 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -5.052 -13.895 -1.275 1.00 0.00 N ATOM 0 H ARG A 72 -8.338 -10.015 4.480 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.791 -9.282 2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.304 -9.788 1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.655 -11.411 2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.817 -11.986 0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.116 -10.315 -0.002 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.389 -10.741 -1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.441 -10.215 -0.082 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.598 -12.893 0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.851 -11.031 -2.508 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.783 -12.273 -3.170 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.226 -14.484 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.431 -14.219 -2.016 1.00 0.00 H new ATOM 1142 N ASP A 73 -11.485 -11.038 2.348 1.00 0.00 N ATOM 1143 CA ASP A 73 -12.514 -12.056 2.522 1.00 0.00 C ATOM 1144 C ASP A 73 -12.775 -12.795 1.213 1.00 0.00 C ATOM 1145 O ASP A 73 -13.788 -12.570 0.553 1.00 0.00 O ATOM 1146 CB ASP A 73 -13.809 -11.421 3.030 1.00 0.00 C ATOM 1147 CG ASP A 73 -14.959 -12.408 3.078 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -14.852 -13.408 3.818 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -15.966 -12.180 2.376 1.00 0.00 O ATOM 0 H ASP A 73 -11.779 -10.231 1.798 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.157 -12.775 3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.643 -11.013 4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.078 -10.585 2.384 1.00 0.00 H new ATOM 1154 N GLY A 74 -11.852 -13.678 0.844 1.00 0.00 N ATOM 1155 CA GLY A 74 -11.999 -14.435 -0.385 1.00 0.00 C ATOM 1156 C GLY A 74 -11.904 -13.561 -1.620 1.00 0.00 C ATOM 1157 O GLY A 74 -12.870 -12.895 -1.992 1.00 0.00 O ATOM 0 H GLY A 74 -11.005 -13.882 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.228 -15.205 -0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.961 -14.947 -0.380 1.00 0.00 H new ATOM 1161 N ARG A 75 -10.737 -13.562 -2.255 1.00 0.00 N ATOM 1162 CA ARG A 75 -10.519 -12.760 -3.453 1.00 0.00 C ATOM 1163 C ARG A 75 -11.298 -11.451 -3.381 1.00 0.00 C ATOM 1164 O ARG A 75 -11.830 -10.976 -4.385 1.00 0.00 O ATOM 1165 CB ARG A 75 -10.933 -13.545 -4.699 1.00 0.00 C ATOM 1166 CG ARG A 75 -12.437 -13.717 -4.839 1.00 0.00 C ATOM 1167 CD ARG A 75 -12.783 -14.753 -5.897 1.00 0.00 C ATOM 1168 NE ARG A 75 -14.184 -15.161 -5.826 1.00 0.00 N ATOM 1169 CZ ARG A 75 -14.851 -15.678 -6.851 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -14.249 -15.851 -8.019 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -16.124 -16.025 -6.708 1.00 0.00 N ATOM 0 H ARG A 75 -9.928 -14.109 -1.960 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.456 -12.526 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.550 -13.035 -5.583 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.464 -14.529 -4.671 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.861 -14.018 -3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.891 -12.761 -5.102 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.574 -14.345 -6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.144 -15.627 -5.771 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.677 -15.042 -4.941 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.270 -15.587 -8.132 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.764 -16.248 -8.804 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.590 -15.895 -5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.636 -16.422 -7.496 1.00 0.00 H new ATOM 1185 N HIS A 76 -11.362 -10.871 -2.186 1.00 0.00 N ATOM 1186 CA HIS A 76 -12.077 -9.616 -1.982 1.00 0.00 C ATOM 1187 C HIS A 76 -11.378 -8.757 -0.933 1.00 0.00 C ATOM 1188 O HIS A 76 -11.032 -9.238 0.147 1.00 0.00 O ATOM 1189 CB HIS A 76 -13.519 -9.889 -1.557 1.00 0.00 C ATOM 1190 CG HIS A 76 -14.396 -10.357 -2.677 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -14.310 -10.154 -4.013 1.00 0.00 N flip ATOM 1192 CD2 HIS A 76 -15.521 -11.130 -2.481 1.00 0.00 C flip ATOM 1193 CE1 HIS A 76 -15.372 -10.803 -4.593 1.00 0.00 C flip ATOM 1194 NE2 HIS A 76 -16.087 -11.384 -3.647 1.00 0.00 N flip ATOM 0 H HIS A 76 -10.927 -11.250 -1.345 1.00 0.00 H new ATOM 0 HA HIS A 76 -12.082 -9.072 -2.926 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -13.520 -10.641 -0.768 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -13.942 -8.979 -1.131 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -13.590 -9.619 -4.498 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -15.883 -11.474 -1.523 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.587 -10.833 -5.651 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.173 -7.485 -1.257 1.00 0.00 N ATOM 1204 CA PHE A 77 -10.514 -6.560 -0.343 1.00 0.00 C ATOM 1205 C PHE A 77 -11.540 -5.767 0.462 1.00 0.00 C ATOM 1206 O PHE A 77 -12.354 -5.034 -0.100 1.00 0.00 O ATOM 1207 CB PHE A 77 -9.607 -5.602 -1.118 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.353 -6.249 -1.634 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -8.380 -7.028 -2.780 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -7.148 -6.080 -0.972 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -7.229 -7.625 -3.257 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -5.993 -6.673 -1.445 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.033 -7.448 -2.588 1.00 0.00 C ATOM 0 H PHE A 77 -11.454 -7.071 -2.146 1.00 0.00 H new ATOM 0 HA PHE A 77 -9.907 -7.144 0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.164 -5.187 -1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.336 -4.768 -0.471 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -9.312 -7.170 -3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.111 -5.478 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -7.264 -8.229 -4.152 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.059 -6.531 -0.921 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.132 -7.914 -2.958 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.494 -5.919 1.782 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.418 -5.218 2.665 1.00 0.00 C ATOM 1225 C VAL A 78 -11.688 -4.186 3.517 1.00 0.00 C ATOM 1226 O VAL A 78 -10.647 -4.477 4.108 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.163 -6.198 3.590 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -14.082 -5.443 4.539 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -13.946 -7.213 2.772 1.00 0.00 C ATOM 0 H VAL A 78 -10.826 -6.522 2.263 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.142 -4.711 2.027 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.427 -6.737 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.600 -6.152 5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.492 -4.760 5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.813 -4.876 3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.466 -7.897 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.673 -6.694 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.261 -7.776 2.139 1.00 0.00 H new ATOM 1239 N LEU A 79 -12.240 -2.979 3.577 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.641 -1.902 4.358 1.00 0.00 C ATOM 1241 C LEU A 79 -12.368 -1.725 5.688 1.00 0.00 C ATOM 1242 O LEU A 79 -11.747 -1.717 6.750 1.00 0.00 O ATOM 1243 CB LEU A 79 -11.674 -0.593 3.568 1.00 0.00 C ATOM 1244 CG LEU A 79 -10.502 0.361 3.800 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -9.386 0.087 2.803 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -10.964 1.807 3.702 1.00 0.00 C ATOM 0 H LEU A 79 -13.101 -2.722 3.094 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.604 -2.169 4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.715 -0.834 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.598 -0.068 3.812 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.114 0.192 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.560 0.775 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.036 -0.938 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.761 0.228 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.117 2.472 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.378 1.990 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.729 1.997 4.455 1.00 0.00 H new ATOM 1258 N GLY A 80 -13.688 -1.586 5.621 1.00 0.00 N ATOM 1259 CA GLY A 80 -14.478 -1.413 6.826 1.00 0.00 C ATOM 1260 C GLY A 80 -15.250 -2.664 7.197 1.00 0.00 C ATOM 1261 O GLY A 80 -14.667 -3.734 7.371 1.00 0.00 O ATOM 0 H GLY A 80 -14.225 -1.590 4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.821 -1.137 7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.176 -0.588 6.684 1.00 0.00 H new ATOM 1265 N THR A 81 -16.567 -2.530 7.321 1.00 0.00 N ATOM 1266 CA THR A 81 -17.420 -3.656 7.677 1.00 0.00 C ATOM 1267 C THR A 81 -18.245 -4.120 6.482 1.00 0.00 C ATOM 1268 O THR A 81 -18.485 -5.315 6.308 1.00 0.00 O ATOM 1269 CB THR A 81 -18.370 -3.298 8.835 1.00 0.00 C ATOM 1270 OG1 THR A 81 -19.047 -2.069 8.551 1.00 0.00 O ATOM 1271 CG2 THR A 81 -17.605 -3.170 10.143 1.00 0.00 C ATOM 0 H THR A 81 -17.066 -1.652 7.180 1.00 0.00 H new ATOM 0 HA THR A 81 -16.761 -4.463 7.995 1.00 0.00 H new ATOM 0 HB THR A 81 -19.101 -4.100 8.937 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.650 -1.849 9.291 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.297 -2.917 10.946 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.114 -4.116 10.372 1.00 0.00 H new ATOM 0 HG23 THR A 81 -16.854 -2.385 10.050 1.00 0.00 H new ATOM 1279 N SER A 82 -18.677 -3.168 5.662 1.00 0.00 N ATOM 1280 CA SER A 82 -19.479 -3.479 4.485 1.00 0.00 C ATOM 1281 C SER A 82 -18.796 -2.982 3.215 1.00 0.00 C ATOM 1282 O SER A 82 -19.437 -2.405 2.337 1.00 0.00 O ATOM 1283 CB SER A 82 -20.869 -2.852 4.608 1.00 0.00 C ATOM 1284 OG SER A 82 -21.735 -3.676 5.371 1.00 0.00 O ATOM 0 H SER A 82 -18.485 -2.175 5.791 1.00 0.00 H new ATOM 0 HA SER A 82 -19.581 -4.562 4.422 1.00 0.00 H new ATOM 0 HB2 SER A 82 -20.789 -1.871 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 82 -21.291 -2.697 3.615 1.00 0.00 H new ATOM 0 HG SER A 82 -22.616 -3.252 5.436 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.489 -3.211 3.125 1.00 0.00 N ATOM 1291 CA ALA A 83 -16.718 -2.788 1.963 1.00 0.00 C ATOM 1292 C ALA A 83 -16.167 -3.990 1.203 1.00 0.00 C ATOM 1293 O ALA A 83 -15.318 -4.722 1.712 1.00 0.00 O ATOM 1294 CB ALA A 83 -15.585 -1.866 2.388 1.00 0.00 C ATOM 0 H ALA A 83 -16.943 -3.687 3.843 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.384 -2.242 1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.018 -1.558 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.998 -0.986 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.927 -2.393 3.079 1.00 0.00 H new ATOM 1300 N TYR A 84 -16.656 -4.188 -0.016 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.215 -5.304 -0.844 1.00 0.00 C ATOM 1302 C TYR A 84 -15.774 -4.819 -2.222 1.00 0.00 C ATOM 1303 O TYR A 84 -16.553 -4.215 -2.959 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.336 -6.334 -0.989 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.448 -7.277 0.189 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -17.990 -6.851 1.395 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -17.013 -8.593 0.093 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -18.093 -7.709 2.473 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -17.114 -9.458 1.166 1.00 0.00 C ATOM 1310 CZ TYR A 84 -17.654 -9.011 2.354 1.00 0.00 C ATOM 1311 OH TYR A 84 -17.757 -9.869 3.425 1.00 0.00 O ATOM 0 H TYR A 84 -17.358 -3.590 -0.453 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.362 -5.772 -0.353 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.284 -5.811 -1.117 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -17.168 -6.916 -1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -18.336 -5.833 1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -16.589 -8.946 -0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -18.515 -7.362 3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -16.772 -10.478 1.075 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.237 -10.680 3.245 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.518 -5.088 -2.563 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.972 -4.680 -3.852 1.00 0.00 C ATOM 1323 C PHE A 85 -13.160 -5.808 -4.481 1.00 0.00 C ATOM 1324 O PHE A 85 -12.290 -6.393 -3.837 1.00 0.00 O ATOM 1325 CB PHE A 85 -13.095 -3.436 -3.687 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.838 -2.246 -3.150 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -13.949 -2.041 -1.784 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -14.425 -1.333 -4.011 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -14.632 -0.947 -1.287 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -15.109 -0.237 -3.520 1.00 0.00 C ATOM 1331 CZ PHE A 85 -15.213 -0.044 -2.156 1.00 0.00 C ATOM 0 H PHE A 85 -13.859 -5.587 -1.965 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.806 -4.444 -4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.268 -3.671 -3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.660 -3.177 -4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.497 -2.744 -1.100 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.347 -1.479 -5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.711 -0.798 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.562 0.468 -4.202 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.748 0.811 -1.770 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.452 -6.108 -5.742 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.750 -7.167 -6.458 1.00 0.00 C ATOM 1343 C GLU A 86 -11.243 -7.059 -6.248 1.00 0.00 C ATOM 1344 O GLU A 86 -10.551 -8.067 -6.107 1.00 0.00 O ATOM 1345 CB GLU A 86 -13.074 -7.105 -7.952 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.553 -8.296 -8.738 1.00 0.00 C ATOM 1347 CD GLU A 86 -12.528 -8.043 -10.233 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -12.116 -6.937 -10.641 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -12.920 -8.952 -10.994 1.00 0.00 O ATOM 0 H GLU A 86 -14.170 -5.633 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.087 -8.124 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.155 -7.042 -8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.650 -6.192 -8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.546 -8.539 -8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.178 -9.165 -8.531 1.00 0.00 H new ATOM 1356 N SER A 87 -10.740 -5.828 -6.229 1.00 0.00 N ATOM 1357 CA SER A 87 -9.315 -5.587 -6.041 1.00 0.00 C ATOM 1358 C SER A 87 -9.079 -4.288 -5.277 1.00 0.00 C ATOM 1359 O SER A 87 -10.020 -3.554 -4.973 1.00 0.00 O ATOM 1360 CB SER A 87 -8.602 -5.533 -7.394 1.00 0.00 C ATOM 1361 OG SER A 87 -8.264 -6.833 -7.845 1.00 0.00 O ATOM 0 H SER A 87 -11.299 -4.982 -6.342 1.00 0.00 H new ATOM 0 HA SER A 87 -8.907 -6.411 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.244 -5.046 -8.128 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.699 -4.928 -7.309 1.00 0.00 H new ATOM 0 HG SER A 87 -8.863 -7.489 -7.431 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.817 -4.011 -4.969 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.456 -2.800 -4.240 1.00 0.00 C ATOM 1369 C LEU A 88 -7.778 -1.554 -5.059 1.00 0.00 C ATOM 1370 O LEU A 88 -8.260 -0.555 -4.526 1.00 0.00 O ATOM 1371 CB LEU A 88 -5.969 -2.820 -3.884 1.00 0.00 C ATOM 1372 CG LEU A 88 -5.576 -3.686 -2.686 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.068 -3.872 -2.633 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.086 -3.069 -1.392 1.00 0.00 C ATOM 0 H LEU A 88 -7.027 -4.608 -5.212 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.043 -2.770 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.412 -3.166 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.649 -1.797 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.037 -4.666 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.808 -4.491 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.729 -4.359 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.585 -2.900 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.797 -3.698 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.654 -2.076 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.172 -2.990 -1.430 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.510 -1.622 -6.359 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.774 -0.501 -7.253 1.00 0.00 C ATOM 1388 C VAL A 89 -9.175 0.057 -7.036 1.00 0.00 C ATOM 1389 O VAL A 89 -9.340 1.220 -6.669 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.621 -0.913 -8.730 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.862 0.278 -9.644 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.245 -1.514 -8.975 1.00 0.00 C ATOM 0 H VAL A 89 -7.110 -2.441 -6.816 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.039 0.269 -7.020 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.370 -1.672 -8.957 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.750 -0.032 -10.683 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.871 0.659 -9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.139 1.062 -9.419 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.154 -1.799 -10.023 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.478 -0.779 -8.731 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.116 -2.395 -8.346 1.00 0.00 H new ATOM 1402 N GLU A 90 -10.182 -0.780 -7.264 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.571 -0.369 -7.092 1.00 0.00 C ATOM 1404 C GLU A 90 -11.785 0.265 -5.721 1.00 0.00 C ATOM 1405 O GLU A 90 -12.373 1.342 -5.607 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.506 -1.568 -7.264 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.512 -2.139 -8.672 1.00 0.00 C ATOM 1408 CD GLU A 90 -13.094 -1.176 -9.689 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -14.330 -1.005 -9.705 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -12.311 -0.594 -10.470 1.00 0.00 O ATOM 0 H GLU A 90 -10.062 -1.746 -7.568 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.801 0.374 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.211 -2.351 -6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.520 -1.268 -6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.493 -2.394 -8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.088 -3.065 -8.682 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.305 -0.410 -4.682 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.444 0.086 -3.317 1.00 0.00 C ATOM 1419 C LEU A 91 -10.894 1.503 -3.194 1.00 0.00 C ATOM 1420 O LEU A 91 -11.472 2.347 -2.510 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.719 -0.842 -2.341 1.00 0.00 C ATOM 1422 CG LEU A 91 -10.641 -0.361 -0.891 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.290 -1.515 0.035 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -9.624 0.763 -0.756 1.00 0.00 C ATOM 0 H LEU A 91 -10.816 -1.302 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.505 0.106 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.217 -1.812 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.704 -0.999 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.619 0.025 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.239 -1.154 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.055 -2.288 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.324 -1.931 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.582 1.093 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.642 0.404 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.919 1.599 -1.390 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.774 1.758 -3.864 1.00 0.00 N ATOM 1437 CA VAL A 92 -9.148 3.074 -3.832 1.00 0.00 C ATOM 1438 C VAL A 92 -9.971 4.094 -4.611 1.00 0.00 C ATOM 1439 O VAL A 92 -10.477 5.062 -4.044 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.722 3.031 -4.413 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -7.160 4.437 -4.556 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.818 2.173 -3.541 1.00 0.00 C ATOM 0 H VAL A 92 -9.282 1.071 -4.435 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.098 3.375 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.766 2.581 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.152 4.386 -4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.796 5.017 -5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.128 4.917 -3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.814 2.153 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.778 2.592 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.213 1.158 -3.496 1.00 0.00 H new ATOM 1452 N SER A 93 -10.102 3.869 -5.915 1.00 0.00 N ATOM 1453 CA SER A 93 -10.862 4.770 -6.773 1.00 0.00 C ATOM 1454 C SER A 93 -12.237 5.056 -6.179 1.00 0.00 C ATOM 1455 O SER A 93 -12.693 6.199 -6.161 1.00 0.00 O ATOM 1456 CB SER A 93 -11.013 4.169 -8.172 1.00 0.00 C ATOM 1457 OG SER A 93 -11.554 5.115 -9.078 1.00 0.00 O ATOM 0 H SER A 93 -9.692 3.071 -6.400 1.00 0.00 H new ATOM 0 HA SER A 93 -10.315 5.710 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.042 3.830 -8.532 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.660 3.293 -8.127 1.00 0.00 H new ATOM 0 HG SER A 93 -11.639 4.707 -9.965 1.00 0.00 H new ATOM 1463 N TYR A 94 -12.894 4.008 -5.694 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.219 4.144 -5.101 1.00 0.00 C ATOM 1465 C TYR A 94 -14.212 5.184 -3.985 1.00 0.00 C ATOM 1466 O TYR A 94 -14.975 6.150 -4.016 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.697 2.798 -4.555 1.00 0.00 C ATOM 1468 CG TYR A 94 -16.155 2.791 -4.152 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -16.588 3.480 -3.026 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -17.098 2.094 -4.897 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -17.918 3.476 -2.654 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -18.431 2.086 -4.533 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.836 2.778 -3.411 1.00 0.00 C ATOM 1474 OH TYR A 94 -20.162 2.771 -3.045 1.00 0.00 O ATOM 0 H TYR A 94 -12.530 3.055 -5.700 1.00 0.00 H new ATOM 0 HA TYR A 94 -14.905 4.477 -5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.534 2.030 -5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -14.089 2.529 -3.691 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -15.872 4.028 -2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -16.784 1.549 -5.775 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -18.238 4.016 -1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.152 1.541 -5.124 1.00 0.00 H new ATOM 0 HH TYR A 94 -20.675 2.234 -3.684 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.344 4.980 -3.000 1.00 0.00 N ATOM 1485 CA TYR A 95 -13.237 5.898 -1.872 1.00 0.00 C ATOM 1486 C TYR A 95 -12.816 7.288 -2.339 1.00 0.00 C ATOM 1487 O TYR A 95 -13.409 8.292 -1.947 1.00 0.00 O ATOM 1488 CB TYR A 95 -12.233 5.366 -0.848 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.862 4.512 0.229 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -13.752 5.058 1.145 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -12.565 3.158 0.332 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -14.329 4.282 2.132 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -13.138 2.374 1.314 1.00 0.00 C ATOM 1494 CZ TYR A 95 -14.019 2.940 2.212 1.00 0.00 C ATOM 1495 OH TYR A 95 -14.590 2.163 3.193 1.00 0.00 O ATOM 0 H TYR A 95 -12.704 4.187 -2.960 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.218 5.974 -1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -11.473 4.781 -1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.723 6.208 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.997 6.108 1.085 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.874 2.711 -0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -15.018 4.723 2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.898 1.323 1.379 1.00 0.00 H new ATOM 0 HH TYR A 95 -14.267 1.241 3.110 1.00 0.00 H new ATOM 1505 N GLU A 96 -11.788 7.336 -3.181 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.288 8.603 -3.702 1.00 0.00 C ATOM 1507 C GLU A 96 -12.419 9.616 -3.850 1.00 0.00 C ATOM 1508 O GLU A 96 -12.229 10.813 -3.635 1.00 0.00 O ATOM 1509 CB GLU A 96 -10.601 8.388 -5.052 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.157 7.928 -4.934 1.00 0.00 C ATOM 1511 CD GLU A 96 -8.460 7.846 -6.278 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -8.518 8.834 -7.039 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -7.855 6.792 -6.568 1.00 0.00 O ATOM 0 H GLU A 96 -11.286 6.514 -3.516 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.562 8.998 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.163 7.649 -5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.632 9.319 -5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.612 8.616 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.129 6.950 -4.454 1.00 0.00 H new ATOM 1520 N LYS A 97 -13.598 9.127 -4.220 1.00 0.00 N ATOM 1521 CA LYS A 97 -14.762 9.987 -4.397 1.00 0.00 C ATOM 1522 C LYS A 97 -15.476 10.217 -3.069 1.00 0.00 C ATOM 1523 O LYS A 97 -15.725 11.357 -2.676 1.00 0.00 O ATOM 1524 CB LYS A 97 -15.730 9.368 -5.408 1.00 0.00 C ATOM 1525 CG LYS A 97 -15.236 9.435 -6.843 1.00 0.00 C ATOM 1526 CD LYS A 97 -14.097 8.460 -7.087 1.00 0.00 C ATOM 1527 CE LYS A 97 -13.769 8.345 -8.568 1.00 0.00 C ATOM 1528 NZ LYS A 97 -14.918 7.810 -9.351 1.00 0.00 N ATOM 0 H LYS A 97 -13.772 8.139 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.417 10.949 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.904 8.326 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.690 9.879 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.059 9.212 -7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.903 10.448 -7.067 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.212 8.789 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.366 7.479 -6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.490 9.325 -8.955 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.905 7.693 -8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.572 7.415 -10.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.393 7.063 -8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.592 8.577 -9.547 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.802 9.127 -2.381 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.486 9.210 -1.095 1.00 0.00 C ATOM 1544 C HIS A 98 -15.492 9.477 0.032 1.00 0.00 C ATOM 1545 O HIS A 98 -14.443 8.839 0.111 1.00 0.00 O ATOM 1546 CB HIS A 98 -17.255 7.919 -0.818 1.00 0.00 C ATOM 1547 CG HIS A 98 -18.287 7.601 -1.857 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -18.235 7.674 -3.207 1.00 0.00 N flip ATOM 1549 CD2 HIS A 98 -19.553 7.151 -1.547 1.00 0.00 C flip ATOM 1550 CE1 HIS A 98 -19.457 7.268 -3.684 1.00 0.00 C flip ATOM 1551 NE2 HIS A 98 -20.234 6.958 -2.662 1.00 0.00 N flip ATOM 0 H HIS A 98 -15.604 8.176 -2.692 1.00 0.00 H new ATOM 0 HA HIS A 98 -17.191 10.040 -1.139 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.548 7.092 -0.755 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.742 7.997 0.154 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -19.929 6.983 -0.549 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -19.737 7.211 -4.725 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -21.196 6.626 -2.723 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.831 10.424 0.901 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.969 10.773 2.023 1.00 0.00 C ATOM 1562 C ALA A 99 -14.517 9.527 2.777 1.00 0.00 C ATOM 1563 O ALA A 99 -15.323 8.844 3.410 1.00 0.00 O ATOM 1564 CB ALA A 99 -15.690 11.728 2.964 1.00 0.00 C ATOM 0 H ALA A 99 -16.696 10.963 0.849 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.082 11.268 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.035 11.981 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.958 12.637 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.594 11.251 3.344 1.00 0.00 H new ATOM 1570 N LEU A 100 -13.223 9.235 2.704 1.00 0.00 N ATOM 1571 CA LEU A 100 -12.662 8.070 3.379 1.00 0.00 C ATOM 1572 C LEU A 100 -12.667 8.262 4.892 1.00 0.00 C ATOM 1573 O LEU A 100 -13.145 7.405 5.636 1.00 0.00 O ATOM 1574 CB LEU A 100 -11.236 7.810 2.891 1.00 0.00 C ATOM 1575 CG LEU A 100 -10.425 6.794 3.696 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -10.946 5.385 3.456 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -8.949 6.887 3.340 1.00 0.00 C ATOM 0 H LEU A 100 -12.543 9.789 2.184 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.284 7.208 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.284 7.469 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.696 8.757 2.890 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.537 7.025 4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.357 4.675 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.990 5.326 3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.865 5.143 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.387 6.157 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.817 6.682 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.583 7.889 3.564 1.00 0.00 H new ATOM 1589 N TYR A 101 -12.133 9.393 5.341 1.00 0.00 N ATOM 1590 CA TYR A 101 -12.075 9.698 6.765 1.00 0.00 C ATOM 1591 C TYR A 101 -12.539 11.126 7.036 1.00 0.00 C ATOM 1592 O TYR A 101 -12.646 11.940 6.118 1.00 0.00 O ATOM 1593 CB TYR A 101 -10.652 9.504 7.293 1.00 0.00 C ATOM 1594 CG TYR A 101 -10.526 9.712 8.785 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -11.373 9.060 9.672 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -9.558 10.561 9.308 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -11.262 9.248 11.036 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -9.438 10.754 10.671 1.00 0.00 C ATOM 1599 CZ TYR A 101 -10.292 10.096 11.530 1.00 0.00 C ATOM 1600 OH TYR A 101 -10.177 10.285 12.888 1.00 0.00 O ATOM 0 H TYR A 101 -11.734 10.113 4.739 1.00 0.00 H new ATOM 0 HA TYR A 101 -12.745 9.012 7.284 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -10.316 8.497 7.045 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.986 10.198 6.780 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -12.132 8.394 9.288 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.888 11.079 8.638 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -11.930 8.735 11.711 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.680 11.417 11.061 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.464 9.474 13.357 1.00 0.00 H new ATOM 1610 N ARG A 102 -12.813 11.422 8.302 1.00 0.00 N ATOM 1611 CA ARG A 102 -13.266 12.751 8.695 1.00 0.00 C ATOM 1612 C ARG A 102 -12.614 13.826 7.831 1.00 0.00 C ATOM 1613 O ARG A 102 -11.388 13.920 7.757 1.00 0.00 O ATOM 1614 CB ARG A 102 -12.950 13.006 10.170 1.00 0.00 C ATOM 1615 CG ARG A 102 -13.559 11.978 11.110 1.00 0.00 C ATOM 1616 CD ARG A 102 -15.078 12.057 11.113 1.00 0.00 C ATOM 1617 NE ARG A 102 -15.557 13.365 11.551 1.00 0.00 N ATOM 1618 CZ ARG A 102 -16.792 13.587 11.987 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -17.667 12.593 12.044 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -17.153 14.806 12.369 1.00 0.00 N ATOM 0 H ARG A 102 -12.729 10.760 9.073 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.345 12.797 8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.868 13.014 10.305 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -13.312 13.997 10.445 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.246 10.978 10.809 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.183 12.139 12.120 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -15.454 11.850 10.111 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -15.480 11.285 11.770 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.908 14.151 11.521 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -17.393 11.655 11.753 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -18.615 12.766 12.379 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.482 15.573 12.328 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -18.101 14.976 12.704 1.00 0.00 H new ATOM 1634 N LYS A 103 -13.441 14.635 7.177 1.00 0.00 N ATOM 1635 CA LYS A 103 -12.946 15.704 6.318 1.00 0.00 C ATOM 1636 C LYS A 103 -11.630 15.305 5.656 1.00 0.00 C ATOM 1637 O LYS A 103 -10.654 16.053 5.695 1.00 0.00 O ATOM 1638 CB LYS A 103 -12.753 16.988 7.127 1.00 0.00 C ATOM 1639 CG LYS A 103 -11.708 16.866 8.222 1.00 0.00 C ATOM 1640 CD LYS A 103 -11.128 18.221 8.593 1.00 0.00 C ATOM 1641 CE LYS A 103 -9.960 18.083 9.557 1.00 0.00 C ATOM 1642 NZ LYS A 103 -10.419 17.873 10.958 1.00 0.00 N ATOM 0 H LYS A 103 -14.458 14.570 7.226 1.00 0.00 H new ATOM 0 HA LYS A 103 -13.686 15.881 5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.466 17.794 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.705 17.272 7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.155 16.407 9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -10.907 16.205 7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.797 18.736 7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -11.904 18.838 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.333 17.245 9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.341 18.979 9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.593 17.784 11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -10.996 18.684 11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -10.989 17.004 11.010 1.00 0.00 H new ATOM 1656 N MET A 104 -11.613 14.124 5.048 1.00 0.00 N ATOM 1657 CA MET A 104 -10.418 13.628 4.375 1.00 0.00 C ATOM 1658 C MET A 104 -10.765 12.494 3.415 1.00 0.00 C ATOM 1659 O MET A 104 -11.619 11.658 3.711 1.00 0.00 O ATOM 1660 CB MET A 104 -9.392 13.146 5.402 1.00 0.00 C ATOM 1661 CG MET A 104 -7.963 13.157 4.884 1.00 0.00 C ATOM 1662 SD MET A 104 -6.942 11.874 5.635 1.00 0.00 S ATOM 1663 CE MET A 104 -6.819 10.705 4.284 1.00 0.00 C ATOM 0 H MET A 104 -12.413 13.492 5.007 1.00 0.00 H new ATOM 0 HA MET A 104 -9.989 14.448 3.800 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.453 13.777 6.289 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.649 12.134 5.713 1.00 0.00 H new ATOM 0 HG2 MET A 104 -7.972 13.022 3.802 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.517 14.132 5.080 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.841 9.689 4.679 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.657 10.848 3.602 1.00 0.00 H new ATOM 0 HE3 MET A 104 -5.884 10.866 3.748 1.00 0.00 H new ATOM 1673 N ARG A 105 -10.098 12.473 2.266 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.338 11.443 1.262 1.00 0.00 C ATOM 1675 C ARG A 105 -9.134 11.296 0.336 1.00 0.00 C ATOM 1676 O ARG A 105 -8.413 12.261 0.080 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.587 11.779 0.444 1.00 0.00 C ATOM 1678 CG ARG A 105 -11.361 12.865 -0.595 1.00 0.00 C ATOM 1679 CD ARG A 105 -12.661 13.266 -1.273 1.00 0.00 C ATOM 1680 NE ARG A 105 -13.462 14.157 -0.438 1.00 0.00 N ATOM 1681 CZ ARG A 105 -13.289 15.474 -0.393 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -12.350 16.048 -1.132 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -14.058 16.218 0.391 1.00 0.00 N ATOM 0 H ARG A 105 -9.387 13.157 2.007 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.495 10.496 1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.937 10.876 -0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.380 12.095 1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.913 13.738 -0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.653 12.512 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.439 13.759 -2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.239 12.372 -1.507 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.194 13.746 0.142 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.758 15.479 -1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.219 17.059 -1.096 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.782 15.779 0.960 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.925 17.229 0.425 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.924 10.084 -0.164 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.807 9.809 -1.062 1.00 0.00 C ATOM 1699 C LEU A 106 -7.753 10.833 -2.191 1.00 0.00 C ATOM 1700 O LEU A 106 -8.556 10.787 -3.123 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.928 8.399 -1.642 1.00 0.00 C ATOM 1702 CG LEU A 106 -8.152 7.274 -0.630 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -8.534 5.985 -1.341 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -6.908 7.067 0.221 1.00 0.00 C ATOM 0 H LEU A 106 -9.512 9.275 0.037 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.884 9.880 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.753 8.390 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.020 8.180 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.974 7.560 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.689 5.196 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.453 6.140 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.734 5.694 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.085 6.263 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.068 6.803 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.678 7.986 0.759 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.799 11.754 -2.103 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.639 12.788 -3.118 1.00 0.00 C ATOM 1718 C ARG A 107 -5.440 12.490 -4.014 1.00 0.00 C ATOM 1719 O ARG A 107 -5.537 12.557 -5.239 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.468 14.158 -2.458 1.00 0.00 C ATOM 1721 CG ARG A 107 -7.778 14.792 -2.022 1.00 0.00 C ATOM 1722 CD ARG A 107 -7.542 16.055 -1.208 1.00 0.00 C ATOM 1723 NE ARG A 107 -8.785 16.593 -0.660 1.00 0.00 N ATOM 1724 CZ ARG A 107 -8.940 17.862 -0.300 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -7.937 18.719 -0.429 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -10.101 18.276 0.190 1.00 0.00 N ATOM 0 H ARG A 107 -6.125 11.805 -1.339 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.538 12.799 -3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.817 14.055 -1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.965 14.828 -3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.378 15.031 -2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.350 14.078 -1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.851 15.838 -0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.067 16.808 -1.837 1.00 0.00 H new ATOM 0 HE ARG A 107 -9.577 15.960 -0.548 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.043 18.405 -0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.059 19.693 -0.152 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.875 17.620 0.291 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.219 19.251 0.466 1.00 0.00 H new ATOM 1740 N TYR A 108 -4.312 12.162 -3.394 1.00 0.00 N ATOM 1741 CA TYR A 108 -3.094 11.856 -4.135 1.00 0.00 C ATOM 1742 C TYR A 108 -2.437 10.587 -3.602 1.00 0.00 C ATOM 1743 O TYR A 108 -1.963 10.531 -2.467 1.00 0.00 O ATOM 1744 CB TYR A 108 -2.113 13.026 -4.049 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.762 14.377 -4.253 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -3.616 14.605 -5.325 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.522 15.424 -3.372 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -4.211 15.837 -5.515 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.114 16.660 -3.554 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.956 16.861 -4.627 1.00 0.00 C ATOM 1751 OH TYR A 108 -4.548 18.090 -4.812 1.00 0.00 O ATOM 0 H TYR A 108 -4.216 12.101 -2.380 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.365 11.693 -5.178 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.626 13.010 -3.074 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.332 12.891 -4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.818 13.805 -6.022 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.862 15.270 -2.531 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.872 15.997 -6.354 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.918 17.464 -2.860 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.265 18.700 -4.099 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.406 9.541 -4.441 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.808 8.252 -4.079 1.00 0.00 C ATOM 1763 C PRO A 109 -0.290 8.330 -3.963 1.00 0.00 C ATOM 1764 O PRO A 109 0.421 8.314 -4.968 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.210 7.336 -5.237 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.421 8.255 -6.391 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.951 9.536 -5.809 1.00 0.00 C ATOM 0 HA PRO A 109 -2.150 7.904 -3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.432 6.604 -5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -3.117 6.778 -5.004 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.488 8.427 -6.928 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.126 7.829 -7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.617 10.404 -6.378 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -4.041 9.556 -5.807 1.00 0.00 H new ATOM 1775 N VAL A 110 0.202 8.413 -2.731 1.00 0.00 N ATOM 1776 CA VAL A 110 1.637 8.491 -2.484 1.00 0.00 C ATOM 1777 C VAL A 110 2.403 7.528 -3.384 1.00 0.00 C ATOM 1778 O VAL A 110 1.929 6.432 -3.686 1.00 0.00 O ATOM 1779 CB VAL A 110 1.971 8.178 -1.013 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.477 8.119 -0.809 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.341 9.212 -0.092 1.00 0.00 C ATOM 0 H VAL A 110 -0.372 8.428 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 110 1.942 9.513 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 110 1.555 7.202 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.694 7.897 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.900 7.338 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 110 3.918 9.080 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.587 8.975 0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.725 10.202 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.258 9.201 -0.219 1.00 0.00 H new ATOM 1791 N THR A 111 3.592 7.943 -3.810 1.00 0.00 N ATOM 1792 CA THR A 111 4.424 7.118 -4.676 1.00 0.00 C ATOM 1793 C THR A 111 5.902 7.286 -4.341 1.00 0.00 C ATOM 1794 O THR A 111 6.328 8.307 -3.800 1.00 0.00 O ATOM 1795 CB THR A 111 4.203 7.462 -6.161 1.00 0.00 C ATOM 1796 OG1 THR A 111 4.220 8.882 -6.343 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.880 6.898 -6.656 1.00 0.00 C ATOM 0 H THR A 111 4.000 8.846 -3.569 1.00 0.00 H new ATOM 0 HA THR A 111 4.131 6.082 -4.503 1.00 0.00 H new ATOM 0 HB THR A 111 5.010 7.013 -6.739 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.081 9.092 -7.290 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.746 7.154 -7.707 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.882 5.814 -6.544 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.063 7.322 -6.072 1.00 0.00 H new ATOM 1805 N PRO A 112 6.704 6.263 -4.671 1.00 0.00 N ATOM 1806 CA PRO A 112 8.148 6.275 -4.415 1.00 0.00 C ATOM 1807 C PRO A 112 8.886 7.269 -5.306 1.00 0.00 C ATOM 1808 O PRO A 112 10.109 7.383 -5.242 1.00 0.00 O ATOM 1809 CB PRO A 112 8.578 4.843 -4.741 1.00 0.00 C ATOM 1810 CG PRO A 112 7.556 4.351 -5.707 1.00 0.00 C ATOM 1811 CD PRO A 112 6.264 5.016 -5.318 1.00 0.00 C ATOM 0 HA PRO A 112 8.379 6.582 -3.395 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.577 4.819 -5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.605 4.224 -3.844 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.833 4.604 -6.730 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.466 3.266 -5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.636 5.214 -6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.681 4.395 -4.638 1.00 0.00 H new ATOM 1819 N GLU A 113 8.134 7.985 -6.136 1.00 0.00 N ATOM 1820 CA GLU A 113 8.718 8.969 -7.039 1.00 0.00 C ATOM 1821 C GLU A 113 8.474 10.387 -6.532 1.00 0.00 C ATOM 1822 O GLU A 113 9.184 11.322 -6.903 1.00 0.00 O ATOM 1823 CB GLU A 113 8.136 8.811 -8.446 1.00 0.00 C ATOM 1824 CG GLU A 113 8.766 7.681 -9.242 1.00 0.00 C ATOM 1825 CD GLU A 113 10.255 7.877 -9.456 1.00 0.00 C ATOM 1826 OE1 GLU A 113 10.626 8.739 -10.281 1.00 0.00 O ATOM 1827 OE2 GLU A 113 11.047 7.170 -8.800 1.00 0.00 O ATOM 0 H GLU A 113 7.120 7.902 -6.202 1.00 0.00 H new ATOM 0 HA GLU A 113 9.794 8.796 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 113 7.063 8.635 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.267 9.746 -8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 113 8.599 6.738 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.271 7.603 -10.210 1.00 0.00 H new ATOM 1834 N LEU A 114 7.465 10.539 -5.682 1.00 0.00 N ATOM 1835 CA LEU A 114 7.125 11.843 -5.122 1.00 0.00 C ATOM 1836 C LEU A 114 8.101 12.232 -4.016 1.00 0.00 C ATOM 1837 O LEU A 114 8.505 13.390 -3.910 1.00 0.00 O ATOM 1838 CB LEU A 114 5.696 11.829 -4.576 1.00 0.00 C ATOM 1839 CG LEU A 114 5.000 13.187 -4.483 1.00 0.00 C ATOM 1840 CD1 LEU A 114 3.498 13.030 -4.661 1.00 0.00 C ATOM 1841 CD2 LEU A 114 5.314 13.857 -3.153 1.00 0.00 C ATOM 0 H LEU A 114 6.867 9.776 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 114 7.195 12.583 -5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.093 11.177 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.713 11.383 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 114 5.376 13.822 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.019 14.007 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.291 12.593 -5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.105 12.378 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.810 14.822 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.966 13.225 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.390 14.004 -3.065 1.00 0.00 H new ATOM 1853 N LEU A 115 8.477 11.257 -3.197 1.00 0.00 N ATOM 1854 CA LEU A 115 9.408 11.496 -2.099 1.00 0.00 C ATOM 1855 C LEU A 115 10.702 12.122 -2.610 1.00 0.00 C ATOM 1856 O LEU A 115 11.169 13.127 -2.075 1.00 0.00 O ATOM 1857 CB LEU A 115 9.714 10.187 -1.369 1.00 0.00 C ATOM 1858 CG LEU A 115 8.792 9.839 -0.201 1.00 0.00 C ATOM 1859 CD1 LEU A 115 8.892 10.893 0.891 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.355 9.698 -0.679 1.00 0.00 C ATOM 0 H LEU A 115 8.152 10.293 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 115 8.940 12.191 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.674 9.373 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.737 10.232 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 115 9.110 8.883 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.228 10.628 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.918 10.944 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.601 11.863 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.713 9.450 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.025 10.638 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.296 8.905 -1.424 1.00 0.00 H new ATOM 1872 N GLU A 116 11.275 11.521 -3.648 1.00 0.00 N ATOM 1873 CA GLU A 116 12.514 12.021 -4.231 1.00 0.00 C ATOM 1874 C GLU A 116 12.268 13.310 -5.010 1.00 0.00 C ATOM 1875 O GLU A 116 13.031 14.270 -4.900 1.00 0.00 O ATOM 1876 CB GLU A 116 13.133 10.967 -5.151 1.00 0.00 C ATOM 1877 CG GLU A 116 12.205 10.511 -6.265 1.00 0.00 C ATOM 1878 CD GLU A 116 12.708 9.266 -6.970 1.00 0.00 C ATOM 1879 OE1 GLU A 116 12.397 8.151 -6.501 1.00 0.00 O ATOM 1880 OE2 GLU A 116 13.412 9.408 -7.992 1.00 0.00 O ATOM 0 H GLU A 116 10.901 10.688 -4.102 1.00 0.00 H new ATOM 0 HA GLU A 116 13.207 12.235 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 116 14.044 11.371 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.424 10.102 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.216 10.315 -5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.093 11.316 -6.992 1.00 0.00 H new ATOM 1887 N ARG A 117 11.197 13.324 -5.797 1.00 0.00 N ATOM 1888 CA ARG A 117 10.850 14.493 -6.595 1.00 0.00 C ATOM 1889 C ARG A 117 10.698 15.729 -5.713 1.00 0.00 C ATOM 1890 O ARG A 117 11.080 16.833 -6.102 1.00 0.00 O ATOM 1891 CB ARG A 117 9.554 14.243 -7.369 1.00 0.00 C ATOM 1892 CG ARG A 117 8.982 15.492 -8.018 1.00 0.00 C ATOM 1893 CD ARG A 117 7.612 15.228 -8.623 1.00 0.00 C ATOM 1894 NE ARG A 117 7.088 16.397 -9.324 1.00 0.00 N ATOM 1895 CZ ARG A 117 5.930 16.407 -9.975 1.00 0.00 C ATOM 1896 NH1 ARG A 117 5.179 15.315 -10.013 1.00 0.00 N ATOM 1897 NH2 ARG A 117 5.521 17.510 -10.588 1.00 0.00 N ATOM 0 H ARG A 117 10.555 12.538 -5.899 1.00 0.00 H new ATOM 0 HA ARG A 117 11.659 14.671 -7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.740 13.496 -8.140 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.811 13.823 -6.691 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.906 16.287 -7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.662 15.844 -8.794 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.677 14.389 -9.316 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.918 14.937 -7.835 1.00 0.00 H new ATOM 0 HE ARG A 117 7.642 17.253 -9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.490 14.465 -9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 117 4.290 15.324 -10.513 1.00 0.00 H new ATOM 0 HH21 ARG A 117 6.096 18.352 -10.560 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.632 17.516 -11.087 1.00 0.00 H new ATOM 1911 N TYR A 118 10.138 15.535 -4.524 1.00 0.00 N ATOM 1912 CA TYR A 118 9.933 16.633 -3.588 1.00 0.00 C ATOM 1913 C TYR A 118 11.179 16.865 -2.738 1.00 0.00 C ATOM 1914 O TYR A 118 11.087 17.260 -1.576 1.00 0.00 O ATOM 1915 CB TYR A 118 8.733 16.343 -2.684 1.00 0.00 C ATOM 1916 CG TYR A 118 7.399 16.567 -3.359 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.182 16.152 -4.667 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.356 17.195 -2.690 1.00 0.00 C ATOM 1919 CE1 TYR A 118 5.964 16.355 -5.288 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.135 17.400 -3.302 1.00 0.00 C ATOM 1921 CZ TYR A 118 4.944 16.979 -4.602 1.00 0.00 C ATOM 1922 OH TYR A 118 3.730 17.183 -5.216 1.00 0.00 O ATOM 0 H TYR A 118 9.818 14.627 -4.186 1.00 0.00 H new ATOM 0 HA TYR A 118 9.736 17.536 -4.165 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.788 15.310 -2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.794 16.976 -1.799 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.979 15.662 -5.208 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.503 17.529 -1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.812 16.026 -6.306 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.334 17.887 -2.766 1.00 0.00 H new ATOM 0 HH TYR A 118 3.121 17.634 -4.595 1.00 0.00 H new ATOM 1932 N SER A 119 12.344 16.617 -3.328 1.00 0.00 N ATOM 1933 CA SER A 119 13.610 16.795 -2.627 1.00 0.00 C ATOM 1934 C SER A 119 14.107 18.231 -2.760 1.00 0.00 C ATOM 1935 O SER A 119 14.546 18.841 -1.786 1.00 0.00 O ATOM 1936 CB SER A 119 14.660 15.826 -3.172 1.00 0.00 C ATOM 1937 OG SER A 119 15.839 15.856 -2.386 1.00 0.00 O ATOM 0 H SER A 119 12.437 16.292 -4.290 1.00 0.00 H new ATOM 0 HA SER A 119 13.445 16.583 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.254 14.815 -3.185 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.900 16.087 -4.203 1.00 0.00 H new ATOM 0 HG SER A 119 16.494 15.227 -2.754 1.00 0.00 H new