USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=24 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 94 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 98 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-2.1) USER MOD Set 2.1: A 66 LYS NZ :NH3+ -123:sc= 0.0616 (180deg=-0.658) USER MOD Set 2.2: A 68 CYS SG : rot 180:sc= 0.0755 USER MOD Set 3.1: A 58 THR OG1 : rot -80:sc= 0.744 USER MOD Set 3.2: A 67 HIS : no HD1:sc= -0.67! C(o=0.075!,f=-3.6!) USER MOD Set 4.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 34 MET CE :methyl -119:sc= -3.61 (180deg=-10.4!) USER MOD Set 5.1: A 14 ASN : amide:sc= -1.28 K(o=-5.1,f=-11!) USER MOD Set 5.2: A 16 HIS : no HD1:sc= -3.84 K(o=-5.1,f=-5.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0254 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -33:sc= 0.0519 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 71 ASN : amide:sc= -0.053 X(o=-0.053,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.0026) USER MOD Single : A 81 THR OG1 : rot 37:sc= 0.122 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 163:sc= -0.338 USER MOD Single : A 87 SER OG : rot 71:sc= 0.765 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 155:sc= -0.123 (180deg=-0.594) USER MOD Single : A 104 MET CE :methyl -144:sc= -0.17 (180deg=-0.856) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.0297 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 -2.973 -9.606 -10.406 1.00 0.00 N ATOM 151 CA ASN A 14 -2.829 -8.709 -9.265 1.00 0.00 C ATOM 152 C ASN A 14 -2.283 -7.354 -9.704 1.00 0.00 C ATOM 153 O ASN A 14 -1.086 -7.078 -9.610 1.00 0.00 O ATOM 154 CB ASN A 14 -1.903 -9.329 -8.217 1.00 0.00 C ATOM 155 CG ASN A 14 -2.593 -10.405 -7.401 1.00 0.00 C ATOM 156 OD1 ASN A 14 -3.283 -10.113 -6.424 1.00 0.00 O ATOM 157 ND2 ASN A 14 -2.408 -11.658 -7.799 1.00 0.00 N ATOM 0 HA ASN A 14 -3.815 -8.558 -8.826 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.031 -9.756 -8.713 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.539 -8.548 -7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.846 -12.425 -7.289 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.828 -11.854 -8.615 1.00 0.00 H new ATOM 164 N PRO A 15 -3.179 -6.486 -10.196 1.00 0.00 N ATOM 165 CA PRO A 15 -2.811 -5.144 -10.659 1.00 0.00 C ATOM 166 C PRO A 15 -2.405 -4.226 -9.511 1.00 0.00 C ATOM 167 O PRO A 15 -1.478 -3.426 -9.640 1.00 0.00 O ATOM 168 CB PRO A 15 -4.091 -4.634 -11.325 1.00 0.00 C ATOM 169 CG PRO A 15 -5.190 -5.393 -10.663 1.00 0.00 C ATOM 170 CD PRO A 15 -4.621 -6.746 -10.338 1.00 0.00 C ATOM 0 HA PRO A 15 -1.948 -5.165 -11.325 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.210 -3.560 -11.183 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.077 -4.814 -12.400 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.527 -4.884 -9.760 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.055 -5.481 -11.321 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.048 -7.152 -9.421 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.823 -7.467 -11.130 1.00 0.00 H new ATOM 178 N HIS A 16 -3.106 -4.347 -8.387 1.00 0.00 N ATOM 179 CA HIS A 16 -2.817 -3.528 -7.215 1.00 0.00 C ATOM 180 C HIS A 16 -1.334 -3.585 -6.863 1.00 0.00 C ATOM 181 O HIS A 16 -0.742 -2.583 -6.464 1.00 0.00 O ATOM 182 CB HIS A 16 -3.654 -3.993 -6.023 1.00 0.00 C ATOM 183 CG HIS A 16 -3.780 -5.482 -5.924 1.00 0.00 C ATOM 184 ND1 HIS A 16 -2.858 -6.274 -5.273 1.00 0.00 N ATOM 185 CD2 HIS A 16 -4.728 -6.324 -6.398 1.00 0.00 C ATOM 186 CE1 HIS A 16 -3.232 -7.538 -5.352 1.00 0.00 C ATOM 187 NE2 HIS A 16 -4.365 -7.596 -6.029 1.00 0.00 N ATOM 0 H HIS A 16 -3.877 -5.003 -8.264 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.076 -2.496 -7.452 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -3.206 -3.613 -5.105 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -4.650 -3.556 -6.097 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.607 -6.047 -6.962 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.702 -8.381 -4.934 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.885 -8.447 -6.243 1.00 0.00 H new ATOM 196 N GLU A 17 -0.740 -4.765 -7.015 1.00 0.00 N ATOM 197 CA GLU A 17 0.674 -4.952 -6.711 1.00 0.00 C ATOM 198 C GLU A 17 1.548 -4.168 -7.685 1.00 0.00 C ATOM 199 O GLU A 17 2.645 -3.730 -7.337 1.00 0.00 O ATOM 200 CB GLU A 17 1.038 -6.438 -6.765 1.00 0.00 C ATOM 201 CG GLU A 17 0.192 -7.305 -5.848 1.00 0.00 C ATOM 202 CD GLU A 17 0.532 -8.779 -5.962 1.00 0.00 C ATOM 203 OE1 GLU A 17 0.851 -9.229 -7.082 1.00 0.00 O ATOM 204 OE2 GLU A 17 0.480 -9.481 -4.931 1.00 0.00 O ATOM 0 H GLU A 17 -1.215 -5.604 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 17 0.855 -4.577 -5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.929 -6.793 -7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.088 -6.556 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.333 -6.982 -4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.862 -7.159 -6.086 1.00 0.00 H new ATOM 211 N SER A 18 1.054 -3.995 -8.907 1.00 0.00 N ATOM 212 CA SER A 18 1.791 -3.267 -9.933 1.00 0.00 C ATOM 213 C SER A 18 1.725 -1.763 -9.686 1.00 0.00 C ATOM 214 O SER A 18 2.726 -1.057 -9.809 1.00 0.00 O ATOM 215 CB SER A 18 1.232 -3.592 -11.320 1.00 0.00 C ATOM 216 OG SER A 18 1.669 -4.866 -11.760 1.00 0.00 O ATOM 0 H SER A 18 0.147 -4.349 -9.210 1.00 0.00 H new ATOM 0 HA SER A 18 2.834 -3.580 -9.886 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.143 -3.568 -11.291 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.549 -2.829 -12.031 1.00 0.00 H new ATOM 0 HG SER A 18 1.297 -5.051 -12.648 1.00 0.00 H new ATOM 222 N LYS A 19 0.538 -1.279 -9.336 1.00 0.00 N ATOM 223 CA LYS A 19 0.339 0.141 -9.069 1.00 0.00 C ATOM 224 C LYS A 19 1.553 0.738 -8.365 1.00 0.00 C ATOM 225 O LYS A 19 2.233 0.076 -7.581 1.00 0.00 O ATOM 226 CB LYS A 19 -0.913 0.349 -8.215 1.00 0.00 C ATOM 227 CG LYS A 19 -2.183 -0.181 -8.857 1.00 0.00 C ATOM 228 CD LYS A 19 -2.708 0.767 -9.922 1.00 0.00 C ATOM 229 CE LYS A 19 -3.912 0.182 -10.645 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.003 0.664 -12.051 1.00 0.00 N ATOM 0 H LYS A 19 -0.301 -1.849 -9.231 1.00 0.00 H new ATOM 0 HA LYS A 19 0.209 0.650 -10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.771 -0.141 -7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.034 1.414 -8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.987 -1.157 -9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.945 -0.327 -8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.984 1.716 -9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.918 0.980 -10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.847 -0.906 -10.638 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.823 0.450 -10.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.836 0.243 -12.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.091 1.700 -12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.145 0.386 -12.569 1.00 0.00 H new ATOM 244 N PRO A 20 1.832 2.019 -8.649 1.00 0.00 N ATOM 245 CA PRO A 20 2.964 2.734 -8.051 1.00 0.00 C ATOM 246 C PRO A 20 2.758 3.005 -6.565 1.00 0.00 C ATOM 247 O PRO A 20 3.712 3.007 -5.787 1.00 0.00 O ATOM 248 CB PRO A 20 3.006 4.048 -8.834 1.00 0.00 C ATOM 249 CG PRO A 20 1.612 4.245 -9.320 1.00 0.00 C ATOM 250 CD PRO A 20 1.064 2.868 -9.574 1.00 0.00 C ATOM 0 HA PRO A 20 3.887 2.158 -8.109 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.325 4.876 -8.201 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.710 3.992 -9.664 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.012 4.774 -8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.597 4.845 -10.230 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.006 2.818 -9.371 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.207 2.564 -10.611 1.00 0.00 H new ATOM 258 N TRP A 21 1.509 3.234 -6.178 1.00 0.00 N ATOM 259 CA TRP A 21 1.179 3.507 -4.783 1.00 0.00 C ATOM 260 C TRP A 21 1.152 2.218 -3.968 1.00 0.00 C ATOM 261 O TRP A 21 0.719 2.211 -2.816 1.00 0.00 O ATOM 262 CB TRP A 21 -0.174 4.214 -4.687 1.00 0.00 C ATOM 263 CG TRP A 21 -1.224 3.610 -5.570 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.625 4.063 -6.794 1.00 0.00 C ATOM 265 CD2 TRP A 21 -2.008 2.444 -5.295 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.611 3.249 -7.297 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.863 2.247 -6.397 1.00 0.00 C ATOM 268 CE3 TRP A 21 -2.069 1.545 -4.227 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.767 1.191 -6.458 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.967 0.496 -4.289 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.806 0.326 -5.399 1.00 0.00 C ATOM 0 H TRP A 21 0.708 3.236 -6.809 1.00 0.00 H new ATOM 0 HA TRP A 21 1.951 4.158 -4.373 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.518 4.185 -3.653 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.047 5.264 -4.952 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.226 4.933 -7.293 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.079 3.371 -8.195 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.426 1.668 -3.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.415 1.059 -7.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -3.023 -0.204 -3.469 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.497 -0.504 -5.418 1.00 0.00 H new ATOM 282 N TYR A 22 1.617 1.131 -4.573 1.00 0.00 N ATOM 283 CA TYR A 22 1.645 -0.164 -3.903 1.00 0.00 C ATOM 284 C TYR A 22 3.046 -0.484 -3.394 1.00 0.00 C ATOM 285 O TYR A 22 4.018 -0.444 -4.149 1.00 0.00 O ATOM 286 CB TYR A 22 1.172 -1.264 -4.855 1.00 0.00 C ATOM 287 CG TYR A 22 1.157 -2.640 -4.230 1.00 0.00 C ATOM 288 CD1 TYR A 22 2.334 -3.356 -4.050 1.00 0.00 C ATOM 289 CD2 TYR A 22 -0.034 -3.225 -3.818 1.00 0.00 C ATOM 290 CE1 TYR A 22 2.325 -4.614 -3.480 1.00 0.00 C ATOM 291 CE2 TYR A 22 -0.053 -4.482 -3.245 1.00 0.00 C ATOM 292 CZ TYR A 22 1.129 -5.173 -3.079 1.00 0.00 C ATOM 293 OH TYR A 22 1.116 -6.425 -2.509 1.00 0.00 O ATOM 0 H TYR A 22 1.980 1.121 -5.526 1.00 0.00 H new ATOM 0 HA TYR A 22 0.970 -0.117 -3.048 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.169 -1.023 -5.206 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.821 -1.279 -5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.272 -2.921 -4.361 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.962 -2.687 -3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.249 -5.157 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.988 -4.921 -2.929 1.00 0.00 H new ATOM 0 HH TYR A 22 0.195 -6.672 -2.282 1.00 0.00 H new ATOM 303 N TYR A 23 3.143 -0.803 -2.108 1.00 0.00 N ATOM 304 CA TYR A 23 4.425 -1.129 -1.495 1.00 0.00 C ATOM 305 C TYR A 23 4.448 -2.577 -1.017 1.00 0.00 C ATOM 306 O TYR A 23 3.463 -3.080 -0.476 1.00 0.00 O ATOM 307 CB TYR A 23 4.707 -0.189 -0.322 1.00 0.00 C ATOM 308 CG TYR A 23 5.188 1.181 -0.745 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.519 1.399 -1.076 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.311 2.256 -0.814 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.964 2.649 -1.463 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.746 3.509 -1.201 1.00 0.00 C ATOM 313 CZ TYR A 23 6.073 3.700 -1.524 1.00 0.00 C ATOM 314 OH TYR A 23 6.511 4.947 -1.909 1.00 0.00 O ATOM 0 H TYR A 23 2.348 -0.843 -1.470 1.00 0.00 H new ATOM 0 HA TYR A 23 5.202 -1.002 -2.249 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.799 -0.079 0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.457 -0.644 0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.219 0.577 -1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.271 2.110 -0.561 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.003 2.802 -1.716 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.051 4.334 -1.250 1.00 0.00 H new ATOM 0 HH TYR A 23 5.759 5.575 -1.900 1.00 0.00 H new ATOM 324 N ASP A 24 5.579 -3.243 -1.221 1.00 0.00 N ATOM 325 CA ASP A 24 5.733 -4.633 -0.810 1.00 0.00 C ATOM 326 C ASP A 24 6.789 -4.763 0.283 1.00 0.00 C ATOM 327 O ASP A 24 6.653 -5.577 1.197 1.00 0.00 O ATOM 328 CB ASP A 24 6.114 -5.503 -2.010 1.00 0.00 C ATOM 329 CG ASP A 24 6.435 -6.930 -1.612 1.00 0.00 C ATOM 330 OD1 ASP A 24 5.490 -7.692 -1.321 1.00 0.00 O ATOM 331 OD2 ASP A 24 7.633 -7.285 -1.590 1.00 0.00 O ATOM 0 H ASP A 24 6.403 -2.842 -1.669 1.00 0.00 H new ATOM 0 HA ASP A 24 4.778 -4.976 -0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.294 -5.505 -2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.977 -5.066 -2.512 1.00 0.00 H new ATOM 336 N ARG A 25 7.840 -3.957 0.183 1.00 0.00 N ATOM 337 CA ARG A 25 8.920 -3.983 1.162 1.00 0.00 C ATOM 338 C ARG A 25 8.972 -2.677 1.949 1.00 0.00 C ATOM 339 O ARG A 25 10.031 -2.062 2.084 1.00 0.00 O ATOM 340 CB ARG A 25 10.261 -4.226 0.467 1.00 0.00 C ATOM 341 CG ARG A 25 10.403 -5.625 -0.111 1.00 0.00 C ATOM 342 CD ARG A 25 11.731 -5.797 -0.832 1.00 0.00 C ATOM 343 NE ARG A 25 11.911 -7.159 -1.329 1.00 0.00 N ATOM 344 CZ ARG A 25 12.335 -8.166 -0.574 1.00 0.00 C ATOM 345 NH1 ARG A 25 12.621 -7.966 0.705 1.00 0.00 N ATOM 346 NH2 ARG A 25 12.474 -9.377 -1.098 1.00 0.00 N ATOM 0 H ARG A 25 7.967 -3.277 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 25 8.726 -4.799 1.858 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.383 -3.497 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.067 -4.053 1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.324 -6.360 0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.584 -5.819 -0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.784 -5.097 -1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.547 -5.548 -0.154 1.00 0.00 H new ATOM 0 HE ARG A 25 11.700 -7.347 -2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.516 -7.037 1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.946 -8.742 1.282 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.255 -9.535 -2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.800 -10.150 -0.517 1.00 0.00 H new ATOM 360 N LEU A 26 7.823 -2.259 2.467 1.00 0.00 N ATOM 361 CA LEU A 26 7.737 -1.025 3.241 1.00 0.00 C ATOM 362 C LEU A 26 7.217 -1.300 4.649 1.00 0.00 C ATOM 363 O LEU A 26 6.459 -2.246 4.867 1.00 0.00 O ATOM 364 CB LEU A 26 6.825 -0.020 2.536 1.00 0.00 C ATOM 365 CG LEU A 26 6.982 1.441 2.959 1.00 0.00 C ATOM 366 CD1 LEU A 26 8.323 1.990 2.497 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.840 2.282 2.407 1.00 0.00 C ATOM 0 H LEU A 26 6.938 -2.756 2.366 1.00 0.00 H new ATOM 0 HA LEU A 26 8.739 -0.604 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.004 -0.088 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.790 -0.317 2.706 1.00 0.00 H new ATOM 0 HG LEU A 26 6.949 1.489 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.416 3.031 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.128 1.405 2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.387 1.928 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.968 3.319 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.841 2.227 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.892 1.903 2.789 1.00 0.00 H new ATOM 379 N SER A 27 7.627 -0.467 5.599 1.00 0.00 N ATOM 380 CA SER A 27 7.203 -0.621 6.986 1.00 0.00 C ATOM 381 C SER A 27 6.749 0.714 7.567 1.00 0.00 C ATOM 382 O SER A 27 7.186 1.777 7.125 1.00 0.00 O ATOM 383 CB SER A 27 8.344 -1.195 7.828 1.00 0.00 C ATOM 384 OG SER A 27 9.512 -0.402 7.714 1.00 0.00 O ATOM 0 H SER A 27 8.252 0.322 5.434 1.00 0.00 H new ATOM 0 HA SER A 27 6.360 -1.312 7.008 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.038 -1.248 8.873 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.560 -2.214 7.507 1.00 0.00 H new ATOM 0 HG SER A 27 10.225 -0.790 8.263 1.00 0.00 H new ATOM 390 N ARG A 28 5.870 0.651 8.562 1.00 0.00 N ATOM 391 CA ARG A 28 5.355 1.855 9.204 1.00 0.00 C ATOM 392 C ARG A 28 6.476 2.860 9.454 1.00 0.00 C ATOM 393 O ARG A 28 6.317 4.055 9.212 1.00 0.00 O ATOM 394 CB ARG A 28 4.669 1.500 10.525 1.00 0.00 C ATOM 395 CG ARG A 28 5.574 0.769 11.503 1.00 0.00 C ATOM 396 CD ARG A 28 4.825 0.378 12.768 1.00 0.00 C ATOM 397 NE ARG A 28 4.824 1.451 13.758 1.00 0.00 N ATOM 398 CZ ARG A 28 4.636 1.251 15.058 1.00 0.00 C ATOM 399 NH1 ARG A 28 4.434 0.026 15.521 1.00 0.00 N ATOM 400 NH2 ARG A 28 4.649 2.279 15.897 1.00 0.00 N ATOM 0 H ARG A 28 5.500 -0.221 8.941 1.00 0.00 H new ATOM 0 HA ARG A 28 4.625 2.310 8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.305 2.415 10.993 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.797 0.880 10.317 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.979 -0.124 11.028 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.421 1.404 11.762 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.797 0.118 12.515 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.282 -0.512 13.199 1.00 0.00 H new ATOM 0 HE ARG A 28 4.976 2.406 13.434 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.423 -0.766 14.879 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.290 -0.125 16.520 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.803 3.223 15.544 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.505 2.125 16.895 1.00 0.00 H new ATOM 414 N GLY A 29 7.610 2.365 9.941 1.00 0.00 N ATOM 415 CA GLY A 29 8.740 3.232 10.217 1.00 0.00 C ATOM 416 C GLY A 29 9.009 4.210 9.090 1.00 0.00 C ATOM 417 O GLY A 29 9.334 5.371 9.332 1.00 0.00 O ATOM 0 H GLY A 29 7.766 1.379 10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.553 3.785 11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.628 2.623 10.386 1.00 0.00 H new ATOM 421 N GLU A 30 8.875 3.738 7.854 1.00 0.00 N ATOM 422 CA GLU A 30 9.109 4.579 6.686 1.00 0.00 C ATOM 423 C GLU A 30 7.792 5.106 6.124 1.00 0.00 C ATOM 424 O GLU A 30 7.640 6.306 5.894 1.00 0.00 O ATOM 425 CB GLU A 30 9.859 3.795 5.608 1.00 0.00 C ATOM 426 CG GLU A 30 11.223 3.297 6.055 1.00 0.00 C ATOM 427 CD GLU A 30 12.297 4.362 5.946 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.929 4.461 4.873 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.505 5.097 6.934 1.00 0.00 O ATOM 0 H GLU A 30 8.606 2.779 7.636 1.00 0.00 H new ATOM 0 HA GLU A 30 9.718 5.428 6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.252 2.942 5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.983 4.429 4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.160 2.954 7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.508 2.436 5.450 1.00 0.00 H new ATOM 436 N ALA A 31 6.844 4.201 5.905 1.00 0.00 N ATOM 437 CA ALA A 31 5.540 4.575 5.371 1.00 0.00 C ATOM 438 C ALA A 31 5.051 5.884 5.982 1.00 0.00 C ATOM 439 O ALA A 31 4.699 6.820 5.265 1.00 0.00 O ATOM 440 CB ALA A 31 4.530 3.464 5.619 1.00 0.00 C ATOM 0 H ALA A 31 6.954 3.204 6.089 1.00 0.00 H new ATOM 0 HA ALA A 31 5.644 4.723 4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.561 3.757 5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.866 2.550 5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.438 3.288 6.691 1.00 0.00 H new ATOM 446 N GLU A 32 5.031 5.940 7.310 1.00 0.00 N ATOM 447 CA GLU A 32 4.583 7.134 8.016 1.00 0.00 C ATOM 448 C GLU A 32 5.453 8.336 7.660 1.00 0.00 C ATOM 449 O GLU A 32 4.951 9.371 7.222 1.00 0.00 O ATOM 450 CB GLU A 32 4.612 6.901 9.528 1.00 0.00 C ATOM 451 CG GLU A 32 3.533 5.949 10.018 1.00 0.00 C ATOM 452 CD GLU A 32 3.585 5.731 11.518 1.00 0.00 C ATOM 453 OE1 GLU A 32 4.656 5.330 12.022 1.00 0.00 O ATOM 454 OE2 GLU A 32 2.557 5.960 12.187 1.00 0.00 O ATOM 0 H GLU A 32 5.320 5.173 7.918 1.00 0.00 H new ATOM 0 HA GLU A 32 3.559 7.344 7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.588 6.505 9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.499 7.858 10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.554 6.344 9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.642 4.990 9.511 1.00 0.00 H new ATOM 461 N ASP A 33 6.759 8.190 7.850 1.00 0.00 N ATOM 462 CA ASP A 33 7.701 9.263 7.549 1.00 0.00 C ATOM 463 C ASP A 33 7.444 9.836 6.158 1.00 0.00 C ATOM 464 O ASP A 33 7.440 11.052 5.969 1.00 0.00 O ATOM 465 CB ASP A 33 9.138 8.751 7.645 1.00 0.00 C ATOM 466 CG ASP A 33 10.141 9.872 7.838 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.765 10.909 8.422 1.00 0.00 O ATOM 468 OD2 ASP A 33 11.301 9.712 7.403 1.00 0.00 O ATOM 0 H ASP A 33 7.190 7.339 8.211 1.00 0.00 H new ATOM 0 HA ASP A 33 7.557 10.056 8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.216 8.050 8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.385 8.199 6.738 1.00 0.00 H new ATOM 473 N MET A 34 7.231 8.951 5.189 1.00 0.00 N ATOM 474 CA MET A 34 6.973 9.370 3.816 1.00 0.00 C ATOM 475 C MET A 34 5.849 10.400 3.764 1.00 0.00 C ATOM 476 O MET A 34 5.981 11.446 3.127 1.00 0.00 O ATOM 477 CB MET A 34 6.614 8.161 2.951 1.00 0.00 C ATOM 478 CG MET A 34 7.825 7.387 2.455 1.00 0.00 C ATOM 479 SD MET A 34 7.534 6.588 0.865 1.00 0.00 S ATOM 480 CE MET A 34 6.249 5.419 1.303 1.00 0.00 C ATOM 0 H MET A 34 7.232 7.941 5.329 1.00 0.00 H new ATOM 0 HA MET A 34 7.881 9.830 3.426 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.975 7.490 3.526 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.032 8.498 2.093 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.674 8.065 2.367 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.096 6.632 3.193 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.601 4.404 1.116 1.00 0.00 H new ATOM 0 HE2 MET A 34 6.002 5.528 2.359 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.361 5.612 0.701 1.00 0.00 H new ATOM 490 N LEU A 35 4.744 10.098 4.436 1.00 0.00 N ATOM 491 CA LEU A 35 3.597 10.998 4.466 1.00 0.00 C ATOM 492 C LEU A 35 3.944 12.300 5.180 1.00 0.00 C ATOM 493 O LEU A 35 3.604 13.386 4.711 1.00 0.00 O ATOM 494 CB LEU A 35 2.412 10.323 5.160 1.00 0.00 C ATOM 495 CG LEU A 35 1.497 9.486 4.265 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.814 10.366 3.229 1.00 0.00 C ATOM 497 CD2 LEU A 35 2.286 8.376 3.586 1.00 0.00 C ATOM 0 H LEU A 35 4.618 9.237 4.968 1.00 0.00 H new ATOM 0 HA LEU A 35 3.323 11.231 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.798 9.681 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.810 11.095 5.640 1.00 0.00 H new ATOM 0 HG LEU A 35 0.728 9.030 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.167 9.754 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.217 11.125 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.568 10.850 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.619 7.790 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.076 8.813 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.729 7.729 4.343 1.00 0.00 H new ATOM 509 N MET A 36 4.626 12.183 6.314 1.00 0.00 N ATOM 510 CA MET A 36 5.023 13.352 7.091 1.00 0.00 C ATOM 511 C MET A 36 5.706 14.388 6.203 1.00 0.00 C ATOM 512 O MET A 36 5.464 15.588 6.336 1.00 0.00 O ATOM 513 CB MET A 36 5.959 12.941 8.229 1.00 0.00 C ATOM 514 CG MET A 36 5.330 11.967 9.212 1.00 0.00 C ATOM 515 SD MET A 36 6.013 12.120 10.874 1.00 0.00 S ATOM 516 CE MET A 36 4.573 11.737 11.867 1.00 0.00 C ATOM 0 H MET A 36 4.915 11.291 6.716 1.00 0.00 H new ATOM 0 HA MET A 36 4.124 13.799 7.514 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.856 12.489 7.805 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.276 13.834 8.768 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.254 12.137 9.248 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.479 10.948 8.854 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.835 11.790 12.924 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.782 12.455 11.653 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.224 10.732 11.630 1.00 0.00 H new ATOM 526 N ARG A 37 6.558 13.917 5.300 1.00 0.00 N ATOM 527 CA ARG A 37 7.277 14.803 4.392 1.00 0.00 C ATOM 528 C ARG A 37 6.318 15.471 3.411 1.00 0.00 C ATOM 529 O ARG A 37 6.446 16.659 3.114 1.00 0.00 O ATOM 530 CB ARG A 37 8.347 14.023 3.625 1.00 0.00 C ATOM 531 CG ARG A 37 9.459 13.484 4.509 1.00 0.00 C ATOM 532 CD ARG A 37 10.086 12.232 3.915 1.00 0.00 C ATOM 533 NE ARG A 37 11.175 12.549 2.995 1.00 0.00 N ATOM 534 CZ ARG A 37 12.117 11.681 2.645 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.104 10.449 3.136 1.00 0.00 N ATOM 536 NH2 ARG A 37 13.076 12.044 1.803 1.00 0.00 N ATOM 0 H ARG A 37 6.768 12.926 5.177 1.00 0.00 H new ATOM 0 HA ARG A 37 7.759 15.579 4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.874 13.191 3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.781 14.671 2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.225 14.249 4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.062 13.259 5.499 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.463 11.599 4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.322 11.659 3.389 1.00 0.00 H new ATOM 0 HE ARG A 37 11.214 13.488 2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.369 10.166 3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.829 9.784 2.865 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.090 12.991 1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.799 11.376 1.535 1.00 0.00 H new ATOM 550 N ILE A 38 5.358 14.699 2.913 1.00 0.00 N ATOM 551 CA ILE A 38 4.377 15.217 1.967 1.00 0.00 C ATOM 552 C ILE A 38 3.616 16.400 2.555 1.00 0.00 C ATOM 553 O ILE A 38 2.831 16.260 3.493 1.00 0.00 O ATOM 554 CB ILE A 38 3.370 14.129 1.549 1.00 0.00 C ATOM 555 CG1 ILE A 38 4.105 12.909 0.991 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.392 14.680 0.521 1.00 0.00 C ATOM 557 CD1 ILE A 38 4.629 13.108 -0.414 1.00 0.00 C ATOM 0 H ILE A 38 5.239 13.714 3.148 1.00 0.00 H new ATOM 0 HA ILE A 38 4.930 15.546 1.087 1.00 0.00 H new ATOM 0 HB ILE A 38 2.807 13.819 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.939 12.665 1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.430 12.053 1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.687 13.900 0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.848 15.521 0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.940 15.014 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.138 12.203 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.798 13.322 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.329 13.943 -0.426 1.00 0.00 H new ATOM 569 N PRO A 39 3.850 17.594 1.992 1.00 0.00 N ATOM 570 CA PRO A 39 3.194 18.825 2.443 1.00 0.00 C ATOM 571 C PRO A 39 1.708 18.847 2.105 1.00 0.00 C ATOM 572 O PRO A 39 1.014 19.827 2.378 1.00 0.00 O ATOM 573 CB PRO A 39 3.935 19.923 1.676 1.00 0.00 C ATOM 574 CG PRO A 39 4.459 19.246 0.457 1.00 0.00 C ATOM 575 CD PRO A 39 4.773 17.834 0.870 1.00 0.00 C ATOM 0 HA PRO A 39 3.240 18.938 3.526 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.267 20.744 1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.743 20.346 2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.722 19.263 -0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.350 19.750 0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.606 17.130 0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.814 17.727 1.176 1.00 0.00 H new ATOM 583 N ARG A 40 1.225 17.762 1.509 1.00 0.00 N ATOM 584 CA ARG A 40 -0.180 17.658 1.133 1.00 0.00 C ATOM 585 C ARG A 40 -0.962 16.856 2.168 1.00 0.00 C ATOM 586 O ARG A 40 -0.563 15.754 2.546 1.00 0.00 O ATOM 587 CB ARG A 40 -0.314 17.003 -0.243 1.00 0.00 C ATOM 588 CG ARG A 40 0.392 17.766 -1.352 1.00 0.00 C ATOM 589 CD ARG A 40 -0.528 18.791 -1.997 1.00 0.00 C ATOM 590 NE ARG A 40 -0.822 19.905 -1.098 1.00 0.00 N ATOM 591 CZ ARG A 40 -0.045 20.975 -0.977 1.00 0.00 C ATOM 592 NH1 ARG A 40 1.066 21.077 -1.693 1.00 0.00 N ATOM 593 NH2 ARG A 40 -0.379 21.947 -0.138 1.00 0.00 N ATOM 0 H ARG A 40 1.786 16.942 1.276 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.594 18.665 1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.090 15.992 -0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.371 16.913 -0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.271 18.268 -0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.745 17.066 -2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.065 19.172 -2.907 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.459 18.308 -2.292 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.670 19.858 -0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.326 20.332 -2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.660 21.900 -1.598 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.233 21.873 0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.218 22.769 -0.046 1.00 0.00 H new ATOM 607 N ASP A 41 -2.078 17.416 2.623 1.00 0.00 N ATOM 608 CA ASP A 41 -2.917 16.752 3.614 1.00 0.00 C ATOM 609 C ASP A 41 -3.934 15.837 2.940 1.00 0.00 C ATOM 610 O ASP A 41 -4.997 16.283 2.510 1.00 0.00 O ATOM 611 CB ASP A 41 -3.638 17.788 4.478 1.00 0.00 C ATOM 612 CG ASP A 41 -4.198 18.935 3.660 1.00 0.00 C ATOM 613 OD1 ASP A 41 -4.521 18.715 2.474 1.00 0.00 O ATOM 614 OD2 ASP A 41 -4.313 20.053 4.206 1.00 0.00 O ATOM 0 H ASP A 41 -2.422 18.328 2.321 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.274 16.144 4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.449 17.303 5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.946 18.181 5.223 1.00 0.00 H new ATOM 619 N GLY A 42 -3.599 14.553 2.851 1.00 0.00 N ATOM 620 CA GLY A 42 -4.493 13.595 2.227 1.00 0.00 C ATOM 621 C GLY A 42 -3.753 12.413 1.632 1.00 0.00 C ATOM 622 O GLY A 42 -4.259 11.292 1.632 1.00 0.00 O ATOM 0 H GLY A 42 -2.725 14.160 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.209 13.236 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.065 14.093 1.444 1.00 0.00 H new ATOM 626 N ALA A 43 -2.552 12.665 1.123 1.00 0.00 N ATOM 627 CA ALA A 43 -1.741 11.613 0.522 1.00 0.00 C ATOM 628 C ALA A 43 -1.927 10.290 1.257 1.00 0.00 C ATOM 629 O ALA A 43 -2.113 10.265 2.474 1.00 0.00 O ATOM 630 CB ALA A 43 -0.274 12.016 0.518 1.00 0.00 C ATOM 0 H ALA A 43 -2.119 13.588 1.115 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.071 11.476 -0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.320 11.222 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.150 12.933 -0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.060 12.182 1.542 1.00 0.00 H new ATOM 636 N PHE A 44 -1.876 9.192 0.511 1.00 0.00 N ATOM 637 CA PHE A 44 -2.040 7.864 1.092 1.00 0.00 C ATOM 638 C PHE A 44 -1.103 6.860 0.427 1.00 0.00 C ATOM 639 O PHE A 44 -0.477 7.157 -0.591 1.00 0.00 O ATOM 640 CB PHE A 44 -3.490 7.398 0.949 1.00 0.00 C ATOM 641 CG PHE A 44 -3.861 7.017 -0.456 1.00 0.00 C ATOM 642 CD1 PHE A 44 -4.155 7.991 -1.397 1.00 0.00 C ATOM 643 CD2 PHE A 44 -3.916 5.686 -0.836 1.00 0.00 C ATOM 644 CE1 PHE A 44 -4.498 7.644 -2.690 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.258 5.333 -2.128 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.548 6.313 -3.056 1.00 0.00 C ATOM 0 H PHE A 44 -1.722 9.195 -0.497 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.787 7.924 2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.655 6.543 1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.154 8.193 1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.116 9.033 -1.117 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.689 4.915 -0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.727 8.413 -3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.298 4.292 -2.411 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.814 6.039 -4.066 1.00 0.00 H new ATOM 656 N LEU A 45 -1.010 5.671 1.011 1.00 0.00 N ATOM 657 CA LEU A 45 -0.149 4.621 0.477 1.00 0.00 C ATOM 658 C LEU A 45 -0.515 3.263 1.068 1.00 0.00 C ATOM 659 O LEU A 45 -0.714 3.135 2.277 1.00 0.00 O ATOM 660 CB LEU A 45 1.318 4.939 0.771 1.00 0.00 C ATOM 661 CG LEU A 45 1.866 4.415 2.099 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.442 3.018 1.925 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.919 5.363 2.653 1.00 0.00 C ATOM 0 H LEU A 45 -1.520 5.409 1.855 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.296 4.578 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.926 4.531 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.445 6.021 0.750 1.00 0.00 H new ATOM 0 HG LEU A 45 1.044 4.360 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.827 2.662 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.661 2.343 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.251 3.046 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.298 4.974 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.740 5.450 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.475 6.345 2.817 1.00 0.00 H new ATOM 675 N ILE A 46 -0.599 2.253 0.209 1.00 0.00 N ATOM 676 CA ILE A 46 -0.938 0.905 0.647 1.00 0.00 C ATOM 677 C ILE A 46 0.283 -0.008 0.608 1.00 0.00 C ATOM 678 O ILE A 46 0.982 -0.085 -0.403 1.00 0.00 O ATOM 679 CB ILE A 46 -2.051 0.293 -0.224 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.320 1.142 -0.139 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.334 -1.138 0.207 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.330 0.831 -1.222 1.00 0.00 C ATOM 0 H ILE A 46 -0.437 2.343 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.295 0.987 1.673 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.715 0.279 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.785 0.989 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.047 2.196 -0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.123 -1.557 -0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.429 -1.736 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.653 -1.148 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.204 1.471 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.883 1.012 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.632 -0.214 -1.149 1.00 0.00 H new ATOM 694 N ARG A 47 0.533 -0.701 1.715 1.00 0.00 N ATOM 695 CA ARG A 47 1.668 -1.610 1.807 1.00 0.00 C ATOM 696 C ARG A 47 1.284 -2.887 2.549 1.00 0.00 C ATOM 697 O ARG A 47 0.187 -2.992 3.098 1.00 0.00 O ATOM 698 CB ARG A 47 2.839 -0.927 2.518 1.00 0.00 C ATOM 699 CG ARG A 47 2.629 -0.760 4.014 1.00 0.00 C ATOM 700 CD ARG A 47 3.584 0.268 4.599 1.00 0.00 C ATOM 701 NE ARG A 47 3.136 0.754 5.901 1.00 0.00 N ATOM 702 CZ ARG A 47 3.150 0.016 7.005 1.00 0.00 C ATOM 703 NH1 ARG A 47 3.589 -1.235 6.965 1.00 0.00 N ATOM 704 NH2 ARG A 47 2.725 0.529 8.153 1.00 0.00 N ATOM 0 H ARG A 47 -0.036 -0.650 2.560 1.00 0.00 H new ATOM 0 HA ARG A 47 1.971 -1.876 0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.745 -1.509 2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.003 0.054 2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.601 -0.454 4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.775 -1.718 4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.575 -0.174 4.699 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.677 1.108 3.911 1.00 0.00 H new ATOM 0 HE ARG A 47 2.794 1.713 5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.917 -1.632 6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.599 -1.800 7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.387 1.491 8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.736 -0.039 9.000 1.00 0.00 H new ATOM 718 N LYS A 48 2.194 -3.855 2.560 1.00 0.00 N ATOM 719 CA LYS A 48 1.952 -5.125 3.235 1.00 0.00 C ATOM 720 C LYS A 48 2.902 -5.303 4.415 1.00 0.00 C ATOM 721 O LYS A 48 4.048 -4.857 4.375 1.00 0.00 O ATOM 722 CB LYS A 48 2.118 -6.287 2.253 1.00 0.00 C ATOM 723 CG LYS A 48 1.463 -7.575 2.719 1.00 0.00 C ATOM 724 CD LYS A 48 1.726 -8.717 1.751 1.00 0.00 C ATOM 725 CE LYS A 48 3.065 -9.384 2.026 1.00 0.00 C ATOM 726 NZ LYS A 48 3.103 -10.783 1.519 1.00 0.00 N ATOM 0 H LYS A 48 3.106 -3.784 2.109 1.00 0.00 H new ATOM 0 HA LYS A 48 0.929 -5.119 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.694 -6.001 1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.181 -6.467 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.841 -7.840 3.707 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.388 -7.422 2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.928 -9.455 1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.709 -8.340 0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.861 -8.806 1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.258 -9.381 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.032 -11.202 1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.360 -11.341 1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.944 -10.784 0.491 1.00 0.00 H new ATOM 740 N ARG A 49 2.417 -5.960 5.464 1.00 0.00 N ATOM 741 CA ARG A 49 3.223 -6.198 6.655 1.00 0.00 C ATOM 742 C ARG A 49 3.610 -7.670 6.765 1.00 0.00 C ATOM 743 O ARG A 49 2.863 -8.551 6.341 1.00 0.00 O ATOM 744 CB ARG A 49 2.460 -5.766 7.908 1.00 0.00 C ATOM 745 CG ARG A 49 2.333 -4.258 8.055 1.00 0.00 C ATOM 746 CD ARG A 49 1.191 -3.883 8.986 1.00 0.00 C ATOM 747 NE ARG A 49 1.449 -4.295 10.363 1.00 0.00 N ATOM 748 CZ ARG A 49 2.287 -3.661 11.176 1.00 0.00 C ATOM 749 NH1 ARG A 49 2.944 -2.591 10.751 1.00 0.00 N ATOM 750 NH2 ARG A 49 2.468 -4.097 12.415 1.00 0.00 N ATOM 0 H ARG A 49 1.470 -6.337 5.513 1.00 0.00 H new ATOM 0 HA ARG A 49 4.134 -5.606 6.570 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.463 -6.205 7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.965 -6.167 8.787 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.267 -3.849 8.440 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.168 -3.809 7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.036 -2.805 8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.270 -4.348 8.635 1.00 0.00 H new ATOM 0 HE ARG A 49 0.959 -5.115 10.720 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.807 -2.253 9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.587 -2.106 11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.964 -4.920 12.745 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.112 -3.609 13.038 1.00 0.00 H new ATOM 812 N SER A 54 -3.018 -9.339 7.446 1.00 0.00 N ATOM 813 CA SER A 54 -3.871 -8.201 7.124 1.00 0.00 C ATOM 814 C SER A 54 -3.037 -7.011 6.659 1.00 0.00 C ATOM 815 O SER A 54 -1.905 -6.819 7.106 1.00 0.00 O ATOM 816 CB SER A 54 -4.710 -7.806 8.341 1.00 0.00 C ATOM 817 OG SER A 54 -3.884 -7.438 9.432 1.00 0.00 O ATOM 0 HA SER A 54 -4.536 -8.495 6.312 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.365 -6.975 8.081 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.351 -8.639 8.631 1.00 0.00 H new ATOM 0 HG SER A 54 -3.060 -7.969 9.412 1.00 0.00 H new ATOM 823 N TYR A 55 -3.604 -6.215 5.760 1.00 0.00 N ATOM 824 CA TYR A 55 -2.913 -5.044 5.232 1.00 0.00 C ATOM 825 C TYR A 55 -3.255 -3.798 6.042 1.00 0.00 C ATOM 826 O TYR A 55 -4.185 -3.804 6.848 1.00 0.00 O ATOM 827 CB TYR A 55 -3.281 -4.828 3.763 1.00 0.00 C ATOM 828 CG TYR A 55 -2.970 -6.015 2.880 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.883 -7.052 2.727 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.763 -6.100 2.197 1.00 0.00 C ATOM 831 CE1 TYR A 55 -3.602 -8.138 1.922 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.474 -7.182 1.388 1.00 0.00 C ATOM 833 CZ TYR A 55 -2.396 -8.199 1.254 1.00 0.00 C ATOM 834 OH TYR A 55 -2.113 -9.279 0.450 1.00 0.00 O ATOM 0 H TYR A 55 -4.540 -6.359 5.381 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.840 -5.222 5.309 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.345 -4.603 3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.745 -3.956 3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.829 -7.007 3.247 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.038 -5.306 2.300 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.322 -8.936 1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.531 -7.231 0.863 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.225 -9.167 0.052 1.00 0.00 H new ATOM 844 N ALA A 56 -2.496 -2.730 5.821 1.00 0.00 N ATOM 845 CA ALA A 56 -2.719 -1.474 6.527 1.00 0.00 C ATOM 846 C ALA A 56 -2.412 -0.279 5.632 1.00 0.00 C ATOM 847 O ALA A 56 -1.276 -0.097 5.192 1.00 0.00 O ATOM 848 CB ALA A 56 -1.872 -1.422 7.791 1.00 0.00 C ATOM 0 H ALA A 56 -1.721 -2.709 5.158 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.772 -1.424 6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.048 -0.479 8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.143 -2.251 8.445 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.818 -1.499 7.526 1.00 0.00 H new ATOM 854 N ILE A 57 -3.430 0.533 5.367 1.00 0.00 N ATOM 855 CA ILE A 57 -3.267 1.711 4.525 1.00 0.00 C ATOM 856 C ILE A 57 -2.847 2.923 5.350 1.00 0.00 C ATOM 857 O ILE A 57 -3.484 3.259 6.349 1.00 0.00 O ATOM 858 CB ILE A 57 -4.566 2.045 3.767 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.358 3.264 2.866 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.702 2.294 4.748 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.454 3.451 1.841 1.00 0.00 C ATOM 0 H ILE A 57 -4.376 0.396 5.723 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.484 1.477 3.803 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.832 1.194 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.295 4.158 3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.402 3.166 2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.613 2.529 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.863 1.401 5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.445 3.131 5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.241 4.334 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.503 2.574 1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.409 3.581 2.349 1.00 0.00 H new ATOM 873 N THR A 58 -1.771 3.578 4.924 1.00 0.00 N ATOM 874 CA THR A 58 -1.266 4.753 5.622 1.00 0.00 C ATOM 875 C THR A 58 -1.555 6.026 4.835 1.00 0.00 C ATOM 876 O THR A 58 -1.531 6.026 3.604 1.00 0.00 O ATOM 877 CB THR A 58 0.251 4.650 5.871 1.00 0.00 C ATOM 878 OG1 THR A 58 0.567 3.377 6.447 1.00 0.00 O ATOM 879 CG2 THR A 58 0.724 5.761 6.795 1.00 0.00 C ATOM 0 H THR A 58 -1.233 3.314 4.099 1.00 0.00 H new ATOM 0 HA THR A 58 -1.782 4.797 6.581 1.00 0.00 H new ATOM 0 HB THR A 58 0.762 4.753 4.914 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.371 3.395 7.407 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.798 5.668 6.956 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.508 6.728 6.341 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.206 5.685 7.751 1.00 0.00 H new ATOM 887 N PHE A 59 -1.826 7.111 5.553 1.00 0.00 N ATOM 888 CA PHE A 59 -2.120 8.392 4.921 1.00 0.00 C ATOM 889 C PHE A 59 -2.024 9.532 5.932 1.00 0.00 C ATOM 890 O PHE A 59 -1.991 9.302 7.141 1.00 0.00 O ATOM 891 CB PHE A 59 -3.515 8.368 4.294 1.00 0.00 C ATOM 892 CG PHE A 59 -4.484 7.481 5.022 1.00 0.00 C ATOM 893 CD1 PHE A 59 -4.590 7.535 6.402 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.290 6.594 4.326 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.481 6.720 7.076 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.183 5.778 4.994 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.278 5.840 6.370 1.00 0.00 C ATOM 0 H PHE A 59 -1.848 7.129 6.573 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.381 8.560 4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.911 9.383 4.270 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.434 8.033 3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.969 8.222 6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.219 6.540 3.250 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.554 6.771 8.152 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.806 5.092 4.440 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.974 5.202 6.893 1.00 0.00 H new ATOM 907 N ARG A 60 -1.980 10.760 5.427 1.00 0.00 N ATOM 908 CA ARG A 60 -1.886 11.936 6.285 1.00 0.00 C ATOM 909 C ARG A 60 -3.274 12.475 6.621 1.00 0.00 C ATOM 910 O ARG A 60 -3.945 13.062 5.773 1.00 0.00 O ATOM 911 CB ARG A 60 -1.056 13.025 5.604 1.00 0.00 C ATOM 912 CG ARG A 60 -0.536 14.083 6.563 1.00 0.00 C ATOM 913 CD ARG A 60 0.367 15.081 5.855 1.00 0.00 C ATOM 914 NE ARG A 60 0.581 16.287 6.652 1.00 0.00 N ATOM 915 CZ ARG A 60 1.507 16.388 7.598 1.00 0.00 C ATOM 916 NH1 ARG A 60 2.302 15.361 7.865 1.00 0.00 N ATOM 917 NH2 ARG A 60 1.640 17.518 8.280 1.00 0.00 N ATOM 0 H ARG A 60 -2.008 10.967 4.429 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.395 11.641 7.212 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.211 12.561 5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.663 13.508 4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.376 14.609 7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.014 13.603 7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.328 14.613 5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.075 15.353 4.897 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.014 17.096 6.472 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.203 14.490 7.343 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.013 15.442 8.592 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.030 18.310 8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.352 17.594 9.007 1.00 0.00 H new ATOM 931 N ALA A 61 -3.697 12.270 7.864 1.00 0.00 N ATOM 932 CA ALA A 61 -5.002 12.737 8.313 1.00 0.00 C ATOM 933 C ALA A 61 -4.902 14.117 8.954 1.00 0.00 C ATOM 934 O ALA A 61 -4.650 14.239 10.153 1.00 0.00 O ATOM 935 CB ALA A 61 -5.611 11.742 9.291 1.00 0.00 C ATOM 0 H ALA A 61 -3.155 11.783 8.578 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.651 12.817 7.441 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.586 12.104 9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.728 10.775 8.801 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.955 11.633 10.155 1.00 0.00 H new ATOM 941 N ARG A 62 -5.100 15.154 8.147 1.00 0.00 N ATOM 942 CA ARG A 62 -5.030 16.526 8.635 1.00 0.00 C ATOM 943 C ARG A 62 -3.739 16.761 9.415 1.00 0.00 C ATOM 944 O ARG A 62 -3.766 17.215 10.558 1.00 0.00 O ATOM 945 CB ARG A 62 -6.237 16.838 9.521 1.00 0.00 C ATOM 946 CG ARG A 62 -6.691 18.286 9.445 1.00 0.00 C ATOM 947 CD ARG A 62 -5.646 19.229 10.021 1.00 0.00 C ATOM 948 NE ARG A 62 -5.577 19.146 11.477 1.00 0.00 N ATOM 949 CZ ARG A 62 -4.838 19.958 12.225 1.00 0.00 C ATOM 950 NH1 ARG A 62 -4.108 20.908 11.656 1.00 0.00 N ATOM 951 NH2 ARG A 62 -4.827 19.821 13.545 1.00 0.00 N ATOM 0 H ARG A 62 -5.310 15.070 7.152 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.040 17.192 7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.065 16.191 9.233 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.990 16.598 10.555 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.890 18.552 8.407 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.628 18.404 9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.670 18.991 9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.880 20.252 9.727 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.126 18.425 11.945 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.113 21.017 10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.542 21.530 12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.386 19.091 13.987 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.259 20.445 14.118 1.00 0.00 H new ATOM 965 N GLY A 63 -2.609 16.446 8.788 1.00 0.00 N ATOM 966 CA GLY A 63 -1.325 16.628 9.438 1.00 0.00 C ATOM 967 C GLY A 63 -0.801 15.347 10.056 1.00 0.00 C ATOM 968 O GLY A 63 0.358 14.982 9.860 1.00 0.00 O ATOM 0 H GLY A 63 -2.561 16.068 7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.603 16.999 8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.418 17.390 10.212 1.00 0.00 H new ATOM 972 N LYS A 64 -1.657 14.662 10.808 1.00 0.00 N ATOM 973 CA LYS A 64 -1.275 13.414 11.458 1.00 0.00 C ATOM 974 C LYS A 64 -1.220 12.270 10.451 1.00 0.00 C ATOM 975 O LYS A 64 -1.636 12.421 9.302 1.00 0.00 O ATOM 976 CB LYS A 64 -2.262 13.076 12.577 1.00 0.00 C ATOM 977 CG LYS A 64 -1.986 13.814 13.876 1.00 0.00 C ATOM 978 CD LYS A 64 -0.860 13.161 14.660 1.00 0.00 C ATOM 979 CE LYS A 64 -0.959 13.477 16.144 1.00 0.00 C ATOM 980 NZ LYS A 64 -0.320 14.780 16.478 1.00 0.00 N ATOM 0 H LYS A 64 -2.620 14.951 10.982 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.281 13.545 11.886 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.272 13.312 12.242 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.231 12.003 12.765 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.726 14.850 13.659 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.890 13.833 14.484 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.892 12.081 14.514 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.100 13.506 14.276 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.007 13.500 16.441 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.483 12.682 16.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.409 14.959 17.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.687 14.750 16.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.791 15.543 15.951 1.00 0.00 H new ATOM 994 N VAL A 65 -0.706 11.125 10.890 1.00 0.00 N ATOM 995 CA VAL A 65 -0.599 9.955 10.027 1.00 0.00 C ATOM 996 C VAL A 65 -1.028 8.690 10.762 1.00 0.00 C ATOM 997 O VAL A 65 -0.346 8.230 11.679 1.00 0.00 O ATOM 998 CB VAL A 65 0.838 9.771 9.506 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.940 8.517 8.650 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.282 10.998 8.723 1.00 0.00 C ATOM 0 H VAL A 65 -0.357 10.983 11.838 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.265 10.124 9.181 1.00 0.00 H new ATOM 0 HB VAL A 65 1.503 9.653 10.361 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.963 8.404 8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.666 7.646 9.246 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.264 8.601 7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.300 10.851 8.362 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.615 11.149 7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.250 11.874 9.371 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.161 8.129 10.354 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.681 6.915 10.971 1.00 0.00 C ATOM 1012 C LYS A 66 -2.863 5.812 9.934 1.00 0.00 C ATOM 1013 O LYS A 66 -2.725 6.047 8.733 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.014 7.203 11.666 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.193 7.280 10.711 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.777 5.905 10.434 1.00 0.00 C ATOM 1017 CE LYS A 66 -7.247 5.989 10.054 1.00 0.00 C ATOM 1018 NZ LYS A 66 -7.958 4.703 10.296 1.00 0.00 N ATOM 0 H LYS A 66 -2.738 8.497 9.597 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.958 6.575 11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.205 6.424 12.404 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.935 8.145 12.209 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.963 7.925 11.134 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.874 7.736 9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.219 5.427 9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.664 5.276 11.317 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.726 6.782 10.629 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.335 6.260 9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.394 4.376 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.280 3.990 10.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.697 4.845 11.014 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.177 4.609 10.404 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.380 3.470 9.516 1.00 0.00 C ATOM 1034 C HIS A 67 -4.743 2.828 9.761 1.00 0.00 C ATOM 1035 O HIS A 67 -5.202 2.739 10.900 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.272 2.436 9.717 1.00 0.00 C ATOM 1037 CG HIS A 67 -0.960 3.034 10.121 1.00 0.00 C ATOM 1038 ND1 HIS A 67 0.206 2.839 9.412 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -0.634 3.829 11.167 1.00 0.00 C ATOM 1040 CE1 HIS A 67 1.193 3.486 10.005 1.00 0.00 C ATOM 1041 NE2 HIS A 67 0.709 4.096 11.073 1.00 0.00 N ATOM 0 H HIS A 67 -3.296 4.398 11.395 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.347 3.831 8.488 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.586 1.722 10.479 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.137 1.876 8.792 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.306 4.187 11.933 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.221 3.512 9.674 1.00 0.00 H new ATOM 0 HE2 HIS A 67 1.246 4.671 11.722 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.383 2.382 8.685 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.693 1.749 8.783 1.00 0.00 C ATOM 1052 C CYS A 68 -6.593 0.250 8.522 1.00 0.00 C ATOM 1053 O CYS A 68 -6.335 -0.179 7.397 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.666 2.388 7.791 1.00 0.00 C ATOM 1055 SG CYS A 68 -9.407 2.210 8.246 1.00 0.00 S ATOM 0 H CYS A 68 -5.016 2.447 7.736 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.067 1.899 9.796 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.432 3.449 7.701 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.511 1.943 6.808 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.151 2.784 7.348 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.799 -0.542 9.569 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.729 -1.994 9.454 1.00 0.00 C ATOM 1063 C ARG A 69 -7.664 -2.498 8.358 1.00 0.00 C ATOM 1064 O ARG A 69 -8.825 -2.094 8.285 1.00 0.00 O ATOM 1065 CB ARG A 69 -7.089 -2.651 10.788 1.00 0.00 C ATOM 1066 CG ARG A 69 -7.024 -4.169 10.756 1.00 0.00 C ATOM 1067 CD ARG A 69 -5.642 -4.676 11.137 1.00 0.00 C ATOM 1068 NE ARG A 69 -5.342 -4.442 12.547 1.00 0.00 N ATOM 1069 CZ ARG A 69 -4.247 -4.890 13.149 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -3.351 -5.591 12.468 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -4.045 -4.637 14.436 1.00 0.00 N ATOM 0 H ARG A 69 -7.016 -0.203 10.506 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.707 -2.263 9.189 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.412 -2.283 11.559 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.095 -2.345 11.074 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.765 -4.580 11.441 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.281 -4.524 9.758 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.576 -5.743 10.925 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.892 -4.182 10.520 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.010 -3.905 13.099 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.502 -5.787 11.479 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.511 -5.934 12.934 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.732 -4.098 14.964 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.203 -4.982 14.898 1.00 0.00 H new ATOM 1085 N ILE A 70 -7.149 -3.381 7.509 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.938 -3.940 6.418 1.00 0.00 C ATOM 1087 C ILE A 70 -8.061 -5.454 6.548 1.00 0.00 C ATOM 1088 O ILE A 70 -7.176 -6.114 7.090 1.00 0.00 O ATOM 1089 CB ILE A 70 -7.322 -3.602 5.047 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -7.178 -2.087 4.888 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -8.174 -4.179 3.927 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -6.336 -1.681 3.699 1.00 0.00 C ATOM 0 H ILE A 70 -6.190 -3.724 7.555 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.929 -3.491 6.483 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.330 -4.050 4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.169 -1.645 4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.734 -1.675 5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.726 -3.932 2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -8.230 -5.262 4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.178 -3.757 3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.278 -0.594 3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.333 -2.094 3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.790 -2.062 2.784 1.00 0.00 H new ATOM 1104 N ASN A 71 -9.164 -5.998 6.044 1.00 0.00 N ATOM 1105 CA ASN A 71 -9.403 -7.436 6.103 1.00 0.00 C ATOM 1106 C ASN A 71 -9.865 -7.966 4.749 1.00 0.00 C ATOM 1107 O ASN A 71 -9.942 -7.220 3.772 1.00 0.00 O ATOM 1108 CB ASN A 71 -10.447 -7.757 7.173 1.00 0.00 C ATOM 1109 CG ASN A 71 -9.914 -7.559 8.579 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -10.436 -6.748 9.344 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -8.870 -8.302 8.926 1.00 0.00 N ATOM 0 H ASN A 71 -9.906 -5.465 5.590 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.464 -7.925 6.364 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.321 -7.122 7.026 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.779 -8.789 7.055 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.469 -8.213 9.859 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.469 -8.962 8.259 1.00 0.00 H new ATOM 1118 N ARG A 72 -10.173 -9.258 4.699 1.00 0.00 N ATOM 1119 CA ARG A 72 -10.628 -9.888 3.466 1.00 0.00 C ATOM 1120 C ARG A 72 -11.746 -10.887 3.746 1.00 0.00 C ATOM 1121 O ARG A 72 -11.757 -11.546 4.786 1.00 0.00 O ATOM 1122 CB ARG A 72 -9.463 -10.593 2.769 1.00 0.00 C ATOM 1123 CG ARG A 72 -8.505 -11.281 3.728 1.00 0.00 C ATOM 1124 CD ARG A 72 -7.079 -11.261 3.201 1.00 0.00 C ATOM 1125 NE ARG A 72 -6.101 -11.499 4.259 1.00 0.00 N ATOM 1126 CZ ARG A 72 -4.864 -11.928 4.034 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -4.456 -12.164 2.795 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -4.032 -12.121 5.050 1.00 0.00 N ATOM 0 H ARG A 72 -10.116 -9.889 5.499 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.017 -9.108 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.861 -11.332 2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.910 -9.864 2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.542 -10.786 4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.822 -12.312 3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.968 -12.021 2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.879 -10.297 2.733 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.383 -11.326 5.224 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.092 -12.016 2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.506 -12.493 2.625 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.342 -11.940 6.005 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.082 -12.450 4.876 1.00 0.00 H new ATOM 1142 N ASP A 73 -12.685 -10.994 2.813 1.00 0.00 N ATOM 1143 CA ASP A 73 -13.808 -11.912 2.959 1.00 0.00 C ATOM 1144 C ASP A 73 -13.636 -13.129 2.055 1.00 0.00 C ATOM 1145 O ASP A 73 -14.602 -13.821 1.737 1.00 0.00 O ATOM 1146 CB ASP A 73 -15.122 -11.201 2.632 1.00 0.00 C ATOM 1147 CG ASP A 73 -16.335 -12.061 2.929 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -16.722 -12.153 4.113 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -16.898 -12.641 1.977 1.00 0.00 O ATOM 0 H ASP A 73 -12.691 -10.456 1.947 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.835 -12.251 3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.185 -10.278 3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.128 -10.921 1.579 1.00 0.00 H new ATOM 1154 N GLY A 74 -12.397 -13.384 1.644 1.00 0.00 N ATOM 1155 CA GLY A 74 -12.120 -14.517 0.780 1.00 0.00 C ATOM 1156 C GLY A 74 -11.548 -14.098 -0.559 1.00 0.00 C ATOM 1157 O GLY A 74 -10.331 -14.011 -0.722 1.00 0.00 O ATOM 0 H GLY A 74 -11.580 -12.826 1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.419 -15.187 1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.039 -15.080 0.619 1.00 0.00 H new ATOM 1161 N ARG A 75 -12.427 -13.841 -1.522 1.00 0.00 N ATOM 1162 CA ARG A 75 -12.003 -13.432 -2.855 1.00 0.00 C ATOM 1163 C ARG A 75 -11.962 -11.911 -2.971 1.00 0.00 C ATOM 1164 O ARG A 75 -11.266 -11.361 -3.825 1.00 0.00 O ATOM 1165 CB ARG A 75 -12.945 -14.009 -3.913 1.00 0.00 C ATOM 1166 CG ARG A 75 -12.653 -13.518 -5.322 1.00 0.00 C ATOM 1167 CD ARG A 75 -13.120 -14.518 -6.368 1.00 0.00 C ATOM 1168 NE ARG A 75 -12.834 -14.062 -7.726 1.00 0.00 N ATOM 1169 CZ ARG A 75 -13.039 -14.805 -8.809 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -13.528 -16.032 -8.692 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -12.755 -14.320 -10.011 1.00 0.00 N ATOM 0 H ARG A 75 -13.438 -13.909 -1.404 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.998 -13.819 -3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.875 -15.097 -3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.972 -13.751 -3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.149 -12.561 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.583 -13.346 -5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.631 -15.477 -6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.192 -14.683 -6.259 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.457 -13.123 -7.850 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.748 -16.408 -7.769 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.684 -16.600 -9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.379 -13.376 -10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.913 -14.891 -10.842 1.00 0.00 H new ATOM 1185 N HIS A 76 -12.712 -11.236 -2.105 1.00 0.00 N ATOM 1186 CA HIS A 76 -12.762 -9.779 -2.109 1.00 0.00 C ATOM 1187 C HIS A 76 -12.303 -9.215 -0.768 1.00 0.00 C ATOM 1188 O HIS A 76 -12.532 -9.818 0.281 1.00 0.00 O ATOM 1189 CB HIS A 76 -14.179 -9.297 -2.420 1.00 0.00 C ATOM 1190 CG HIS A 76 -14.905 -10.164 -3.403 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -15.816 -11.127 -3.027 1.00 0.00 N ATOM 1192 CD2 HIS A 76 -14.850 -10.207 -4.755 1.00 0.00 C ATOM 1193 CE1 HIS A 76 -16.290 -11.727 -4.104 1.00 0.00 C ATOM 1194 NE2 HIS A 76 -15.720 -11.187 -5.166 1.00 0.00 N ATOM 0 H HIS A 76 -13.293 -11.676 -1.392 1.00 0.00 H new ATOM 0 HA HIS A 76 -12.086 -9.420 -2.884 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.751 -9.255 -1.493 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -14.131 -8.281 -2.811 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.237 -9.587 -5.391 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.019 -12.523 -4.114 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.897 -11.454 -6.134 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.654 -8.057 -0.809 1.00 0.00 N ATOM 1204 CA PHE A 77 -11.161 -7.413 0.403 1.00 0.00 C ATOM 1205 C PHE A 77 -12.304 -6.759 1.174 1.00 0.00 C ATOM 1206 O PHE A 77 -13.444 -6.728 0.711 1.00 0.00 O ATOM 1207 CB PHE A 77 -10.101 -6.366 0.055 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.794 -6.960 -0.386 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -8.560 -7.237 -1.724 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -7.800 -7.243 0.536 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -7.359 -7.783 -2.134 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -6.596 -7.789 0.132 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.376 -8.061 -1.204 1.00 0.00 C ATOM 0 H PHE A 77 -11.457 -7.545 -1.669 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.711 -8.179 1.034 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.484 -5.722 -0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.928 -5.733 0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -9.326 -7.023 -2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.967 -7.035 1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -7.189 -7.992 -3.180 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.828 -8.003 0.861 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.437 -8.490 -1.521 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.990 -6.237 2.356 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.989 -5.582 3.193 1.00 0.00 C ATOM 1225 C VAL A 78 -12.384 -4.409 3.955 1.00 0.00 C ATOM 1226 O VAL A 78 -11.579 -4.597 4.868 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.611 -6.569 4.199 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -14.636 -5.863 5.074 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -14.240 -7.747 3.470 1.00 0.00 C ATOM 0 H VAL A 78 -11.052 -6.255 2.755 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.769 -5.214 2.527 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.820 -6.952 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.065 -6.575 5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.151 -5.056 5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.427 -5.451 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.675 -8.434 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.020 -7.386 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.476 -8.266 2.891 1.00 0.00 H new ATOM 1239 N LEU A 79 -12.777 -3.198 3.576 1.00 0.00 N ATOM 1240 CA LEU A 79 -12.274 -1.992 4.224 1.00 0.00 C ATOM 1241 C LEU A 79 -12.692 -1.948 5.690 1.00 0.00 C ATOM 1242 O LEU A 79 -11.851 -1.870 6.584 1.00 0.00 O ATOM 1243 CB LEU A 79 -12.787 -0.747 3.498 1.00 0.00 C ATOM 1244 CG LEU A 79 -11.875 0.479 3.543 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -11.908 1.118 4.923 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -10.451 0.100 3.163 1.00 0.00 C ATOM 0 H LEU A 79 -13.443 -3.025 2.823 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.185 -2.010 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.963 -1.006 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.752 -0.473 3.925 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.241 1.207 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.253 1.989 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -12.927 1.427 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.568 0.397 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.816 0.985 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.074 -0.646 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.441 -0.311 2.153 1.00 0.00 H new ATOM 1258 N GLY A 80 -13.999 -2.000 5.930 1.00 0.00 N ATOM 1259 CA GLY A 80 -14.506 -1.967 7.289 1.00 0.00 C ATOM 1260 C GLY A 80 -15.940 -2.449 7.385 1.00 0.00 C ATOM 1261 O GLY A 80 -16.202 -3.553 7.864 1.00 0.00 O ATOM 0 H GLY A 80 -14.716 -2.064 5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.874 -2.588 7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.442 -0.949 7.673 1.00 0.00 H new ATOM 1265 N THR A 81 -16.874 -1.619 6.930 1.00 0.00 N ATOM 1266 CA THR A 81 -18.289 -1.964 6.970 1.00 0.00 C ATOM 1267 C THR A 81 -18.902 -1.932 5.574 1.00 0.00 C ATOM 1268 O THR A 81 -18.784 -0.938 4.857 1.00 0.00 O ATOM 1269 CB THR A 81 -19.076 -1.009 7.886 1.00 0.00 C ATOM 1270 OG1 THR A 81 -18.770 0.350 7.554 1.00 0.00 O ATOM 1271 CG2 THR A 81 -18.744 -1.266 9.349 1.00 0.00 C ATOM 0 H THR A 81 -16.675 -0.702 6.529 1.00 0.00 H new ATOM 0 HA THR A 81 -18.356 -2.975 7.371 1.00 0.00 H new ATOM 0 HB THR A 81 -20.140 -1.189 7.734 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.662 0.433 6.584 1.00 0.00 H new ATOM 0 HG21 THR A 81 -19.312 -0.579 9.977 1.00 0.00 H new ATOM 0 HG22 THR A 81 -19.004 -2.293 9.606 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.678 -1.110 9.513 1.00 0.00 H new ATOM 1279 N SER A 82 -19.557 -3.024 5.195 1.00 0.00 N ATOM 1280 CA SER A 82 -20.187 -3.121 3.883 1.00 0.00 C ATOM 1281 C SER A 82 -19.288 -2.524 2.804 1.00 0.00 C ATOM 1282 O SER A 82 -19.725 -1.696 2.006 1.00 0.00 O ATOM 1283 CB SER A 82 -21.539 -2.407 3.889 1.00 0.00 C ATOM 1284 OG SER A 82 -22.360 -2.878 4.944 1.00 0.00 O ATOM 0 H SER A 82 -19.666 -3.854 5.777 1.00 0.00 H new ATOM 0 HA SER A 82 -20.343 -4.176 3.659 1.00 0.00 H new ATOM 0 HB2 SER A 82 -21.386 -1.333 3.995 1.00 0.00 H new ATOM 0 HB3 SER A 82 -22.041 -2.565 2.935 1.00 0.00 H new ATOM 0 HG SER A 82 -23.218 -2.405 4.927 1.00 0.00 H new ATOM 1290 N ALA A 83 -18.030 -2.953 2.787 1.00 0.00 N ATOM 1291 CA ALA A 83 -17.070 -2.463 1.806 1.00 0.00 C ATOM 1292 C ALA A 83 -16.438 -3.616 1.033 1.00 0.00 C ATOM 1293 O ALA A 83 -15.521 -4.276 1.523 1.00 0.00 O ATOM 1294 CB ALA A 83 -15.995 -1.631 2.489 1.00 0.00 C ATOM 0 H ALA A 83 -17.652 -3.638 3.441 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.604 -1.833 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.285 -1.272 1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.457 -0.780 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.472 -2.244 3.223 1.00 0.00 H new ATOM 1300 N TYR A 84 -16.935 -3.854 -0.175 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.421 -4.930 -1.015 1.00 0.00 C ATOM 1302 C TYR A 84 -15.752 -4.373 -2.267 1.00 0.00 C ATOM 1303 O TYR A 84 -16.194 -3.369 -2.827 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.552 -5.883 -1.408 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.775 -7.001 -0.415 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -18.165 -6.730 0.890 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -17.596 -8.329 -0.783 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -18.370 -7.748 1.801 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -17.799 -9.354 0.120 1.00 0.00 C ATOM 1310 CZ TYR A 84 -18.186 -9.059 1.411 1.00 0.00 C ATOM 1311 OH TYR A 84 -18.389 -10.076 2.315 1.00 0.00 O ATOM 0 H TYR A 84 -17.693 -3.317 -0.595 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.675 -5.479 -0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.475 -5.313 -1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -17.330 -6.314 -2.384 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -18.311 -5.705 1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -17.293 -8.564 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -18.672 -7.519 2.812 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.656 -10.381 -0.183 1.00 0.00 H new ATOM 0 HH TYR A 84 -18.486 -10.925 1.836 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.683 -5.031 -2.702 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.951 -4.602 -3.888 1.00 0.00 C ATOM 1323 C PHE A 85 -13.145 -5.756 -4.476 1.00 0.00 C ATOM 1324 O PHE A 85 -12.322 -6.364 -3.792 1.00 0.00 O ATOM 1325 CB PHE A 85 -13.020 -3.438 -3.545 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.743 -2.215 -3.056 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -14.010 -2.045 -1.707 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -14.156 -1.237 -3.946 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -14.675 -0.921 -1.254 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.821 -0.111 -3.498 1.00 0.00 C ATOM 1331 CZ PHE A 85 -15.082 0.046 -2.151 1.00 0.00 C ATOM 0 H PHE A 85 -14.304 -5.864 -2.251 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.676 -4.272 -4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.313 -3.762 -2.781 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.437 -3.177 -4.428 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.695 -2.799 -1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.956 -1.356 -5.001 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.876 -0.800 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.136 0.646 -4.201 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.604 0.924 -1.800 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.389 -6.052 -5.749 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.687 -7.134 -6.429 1.00 0.00 C ATOM 1343 C GLU A 86 -11.179 -7.015 -6.230 1.00 0.00 C ATOM 1344 O GLU A 86 -10.491 -8.010 -6.006 1.00 0.00 O ATOM 1345 CB GLU A 86 -13.017 -7.126 -7.923 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.863 -8.484 -8.588 1.00 0.00 C ATOM 1347 CD GLU A 86 -11.516 -9.121 -8.307 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -10.505 -8.638 -8.861 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -11.472 -10.101 -7.535 1.00 0.00 O ATOM 0 H GLU A 86 -14.067 -5.558 -6.329 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.020 -8.077 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.041 -6.779 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.368 -6.409 -8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.654 -9.147 -8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.991 -8.374 -9.665 1.00 0.00 H new ATOM 1356 N SER A 87 -10.673 -5.789 -6.314 1.00 0.00 N ATOM 1357 CA SER A 87 -9.246 -5.538 -6.147 1.00 0.00 C ATOM 1358 C SER A 87 -9.005 -4.174 -5.509 1.00 0.00 C ATOM 1359 O SER A 87 -9.704 -3.204 -5.805 1.00 0.00 O ATOM 1360 CB SER A 87 -8.532 -5.615 -7.498 1.00 0.00 C ATOM 1361 OG SER A 87 -8.666 -6.903 -8.073 1.00 0.00 O ATOM 0 H SER A 87 -11.230 -4.954 -6.497 1.00 0.00 H new ATOM 0 HA SER A 87 -8.842 -6.305 -5.486 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.945 -4.867 -8.174 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.476 -5.379 -7.369 1.00 0.00 H new ATOM 0 HG SER A 87 -9.592 -7.036 -8.366 1.00 0.00 H new ATOM 1367 N LEU A 88 -8.010 -4.106 -4.631 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.675 -2.860 -3.949 1.00 0.00 C ATOM 1369 C LEU A 88 -7.844 -1.666 -4.883 1.00 0.00 C ATOM 1370 O LEU A 88 -8.343 -0.615 -4.480 1.00 0.00 O ATOM 1371 CB LEU A 88 -6.239 -2.914 -3.424 1.00 0.00 C ATOM 1372 CG LEU A 88 -6.003 -3.803 -2.203 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.516 -4.051 -2.003 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.613 -3.173 -0.959 1.00 0.00 C ATOM 0 H LEU A 88 -7.421 -4.899 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.358 -2.739 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.592 -3.259 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.926 -1.900 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.490 -4.763 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.367 -4.686 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.108 -4.545 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.006 -3.100 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.436 -3.819 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.155 -2.200 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.686 -3.048 -1.103 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.426 -1.835 -6.133 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.533 -0.773 -7.126 1.00 0.00 C ATOM 1388 C VAL A 89 -8.904 -0.107 -7.071 1.00 0.00 C ATOM 1389 O VAL A 89 -9.006 1.114 -6.955 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.291 -1.308 -8.549 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.468 -0.198 -9.574 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.906 -1.928 -8.657 1.00 0.00 C ATOM 0 H VAL A 89 -7.010 -2.698 -6.482 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.764 -0.038 -6.888 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.028 -2.083 -8.757 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.293 -0.595 -10.574 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.482 0.196 -9.512 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.755 0.602 -9.371 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.752 -2.301 -9.670 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.152 -1.175 -8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.820 -2.753 -7.950 1.00 0.00 H new ATOM 1402 N GLU A 90 -9.954 -0.917 -7.155 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.318 -0.406 -7.116 1.00 0.00 C ATOM 1404 C GLU A 90 -11.578 0.352 -5.817 1.00 0.00 C ATOM 1405 O GLU A 90 -12.080 1.477 -5.830 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.321 -1.552 -7.260 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.317 -2.195 -8.636 1.00 0.00 C ATOM 1408 CD GLU A 90 -13.285 -1.528 -9.595 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -14.360 -1.084 -9.140 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -12.966 -1.450 -10.800 1.00 0.00 O ATOM 0 H GLU A 90 -9.886 -1.930 -7.251 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.444 0.284 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.100 -2.313 -6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.322 -1.177 -7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.310 -2.149 -9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.575 -3.250 -8.541 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.234 -0.273 -4.696 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.429 0.341 -3.387 1.00 0.00 C ATOM 1419 C LEU A 91 -10.935 1.784 -3.383 1.00 0.00 C ATOM 1420 O LEU A 91 -11.585 2.672 -2.831 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.699 -0.464 -2.310 1.00 0.00 C ATOM 1422 CG LEU A 91 -11.107 -0.177 -0.865 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.930 -1.418 -0.004 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -10.300 0.984 -0.303 1.00 0.00 C ATOM 0 H LEU A 91 -10.819 -1.204 -4.667 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.497 0.342 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.858 -1.524 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.629 -0.278 -2.408 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.161 0.101 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.225 -1.195 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.553 -2.223 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.885 -1.727 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.604 1.174 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.239 0.735 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.478 1.876 -0.904 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.782 2.011 -4.004 1.00 0.00 N ATOM 1437 CA VAL A 92 -9.202 3.347 -4.075 1.00 0.00 C ATOM 1438 C VAL A 92 -9.973 4.229 -5.050 1.00 0.00 C ATOM 1439 O VAL A 92 -10.197 5.411 -4.789 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.724 3.295 -4.504 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -7.169 4.700 -4.680 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.903 2.511 -3.492 1.00 0.00 C ATOM 0 H VAL A 92 -9.231 1.287 -4.465 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.267 3.774 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.660 2.783 -5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.124 4.643 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.741 5.224 -5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.244 5.242 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.861 2.484 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.972 2.993 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.287 1.493 -3.422 1.00 0.00 H new ATOM 1452 N SER A 93 -10.375 3.647 -6.175 1.00 0.00 N ATOM 1453 CA SER A 93 -11.119 4.382 -7.192 1.00 0.00 C ATOM 1454 C SER A 93 -12.437 4.904 -6.630 1.00 0.00 C ATOM 1455 O SER A 93 -12.764 6.082 -6.775 1.00 0.00 O ATOM 1456 CB SER A 93 -11.386 3.487 -8.404 1.00 0.00 C ATOM 1457 OG SER A 93 -12.387 4.044 -9.238 1.00 0.00 O ATOM 0 H SER A 93 -10.198 2.669 -6.406 1.00 0.00 H new ATOM 0 HA SER A 93 -10.515 5.234 -7.504 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.466 3.356 -8.973 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.697 2.498 -8.068 1.00 0.00 H new ATOM 0 HG SER A 93 -12.538 3.454 -10.006 1.00 0.00 H new ATOM 1463 N TYR A 94 -13.191 4.018 -5.989 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.476 4.388 -5.407 1.00 0.00 C ATOM 1465 C TYR A 94 -14.295 5.419 -4.297 1.00 0.00 C ATOM 1466 O TYR A 94 -14.732 6.564 -4.420 1.00 0.00 O ATOM 1467 CB TYR A 94 -15.186 3.149 -4.856 1.00 0.00 C ATOM 1468 CG TYR A 94 -16.384 3.472 -3.992 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -17.613 3.780 -4.561 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -16.286 3.467 -2.606 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -18.710 4.075 -3.775 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -17.378 3.760 -1.812 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.588 4.064 -2.402 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.678 4.357 -1.615 1.00 0.00 O ATOM 0 H TYR A 94 -12.935 3.039 -5.859 1.00 0.00 H new ATOM 0 HA TYR A 94 -15.088 4.830 -6.193 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -15.507 2.524 -5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -14.476 2.563 -4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -17.713 3.789 -5.636 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -15.340 3.230 -2.142 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.658 4.313 -4.234 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -17.285 3.751 -0.736 1.00 0.00 H new ATOM 0 HH TYR A 94 -19.423 4.304 -0.670 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.647 5.005 -3.214 1.00 0.00 N ATOM 1485 CA TYR A 95 -13.409 5.891 -2.080 1.00 0.00 C ATOM 1486 C TYR A 95 -12.914 7.255 -2.550 1.00 0.00 C ATOM 1487 O TYR A 95 -13.395 8.292 -2.094 1.00 0.00 O ATOM 1488 CB TYR A 95 -12.390 5.267 -1.124 1.00 0.00 C ATOM 1489 CG TYR A 95 -13.010 4.355 -0.090 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -13.419 3.070 -0.425 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -13.185 4.777 1.222 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -13.986 2.233 0.517 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -13.749 3.946 2.170 1.00 0.00 C ATOM 1494 CZ TYR A 95 -14.149 2.675 1.813 1.00 0.00 C ATOM 1495 OH TYR A 95 -14.712 1.844 2.754 1.00 0.00 O ATOM 0 H TYR A 95 -13.277 4.062 -3.097 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.354 6.029 -1.554 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -11.659 4.702 -1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.847 6.063 -0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.292 2.720 -1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -12.875 5.772 1.505 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -14.300 1.238 0.240 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -13.876 4.290 3.186 1.00 0.00 H new ATOM 0 HH TYR A 95 -14.754 2.307 3.617 1.00 0.00 H new ATOM 1505 N GLU A 96 -11.950 7.245 -3.465 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.390 8.481 -3.997 1.00 0.00 C ATOM 1507 C GLU A 96 -12.464 9.559 -4.115 1.00 0.00 C ATOM 1508 O GLU A 96 -12.224 10.728 -3.811 1.00 0.00 O ATOM 1509 CB GLU A 96 -10.750 8.231 -5.364 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.280 7.854 -5.289 1.00 0.00 C ATOM 1511 CD GLU A 96 -8.367 9.064 -5.283 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -8.783 10.123 -5.799 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -7.237 8.954 -4.762 1.00 0.00 O ATOM 0 H GLU A 96 -11.541 6.395 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.624 8.830 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.295 7.435 -5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.856 9.128 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.105 7.267 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.028 7.218 -6.137 1.00 0.00 H new ATOM 1520 N LYS A 97 -13.649 9.158 -4.561 1.00 0.00 N ATOM 1521 CA LYS A 97 -14.762 10.086 -4.719 1.00 0.00 C ATOM 1522 C LYS A 97 -15.411 10.394 -3.374 1.00 0.00 C ATOM 1523 O LYS A 97 -15.608 11.557 -3.019 1.00 0.00 O ATOM 1524 CB LYS A 97 -15.804 9.507 -5.679 1.00 0.00 C ATOM 1525 CG LYS A 97 -15.373 9.538 -7.135 1.00 0.00 C ATOM 1526 CD LYS A 97 -15.260 10.961 -7.654 1.00 0.00 C ATOM 1527 CE LYS A 97 -15.291 11.005 -9.174 1.00 0.00 C ATOM 1528 NZ LYS A 97 -16.681 11.100 -9.698 1.00 0.00 N ATOM 0 H LYS A 97 -13.864 8.195 -4.820 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.370 11.015 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.016 8.477 -5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.734 10.065 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -14.413 9.034 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.092 8.985 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.078 11.561 -7.255 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.333 11.408 -7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.712 11.859 -9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.813 10.110 -9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.659 11.128 -10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.227 10.272 -9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.129 11.967 -9.338 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.740 9.344 -2.627 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.365 9.503 -1.319 1.00 0.00 C ATOM 1544 C HIS A 98 -15.332 9.903 -0.268 1.00 0.00 C ATOM 1545 O HIS A 98 -14.142 10.006 -0.562 1.00 0.00 O ATOM 1546 CB HIS A 98 -17.058 8.206 -0.901 1.00 0.00 C ATOM 1547 CG HIS A 98 -18.187 7.813 -1.804 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -19.505 8.114 -1.536 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -18.188 7.139 -2.978 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -20.268 7.642 -2.505 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -19.493 7.046 -3.393 1.00 0.00 N ATOM 0 H HIS A 98 -15.584 8.375 -2.905 1.00 0.00 H new ATOM 0 HA HIS A 98 -17.109 10.296 -1.393 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.323 7.401 -0.880 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.438 8.317 0.115 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -17.323 6.747 -3.492 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -21.343 7.729 -2.562 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -19.812 6.591 -4.248 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.797 10.127 0.956 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.915 10.514 2.050 1.00 0.00 C ATOM 1562 C ALA A 99 -14.426 9.292 2.819 1.00 0.00 C ATOM 1563 O ALA A 99 -15.175 8.688 3.588 1.00 0.00 O ATOM 1564 CB ALA A 99 -15.626 11.479 2.986 1.00 0.00 C ATOM 0 H ALA A 99 -16.780 10.047 1.215 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.046 11.014 1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -14.955 11.759 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.920 12.372 2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.514 10.999 3.398 1.00 0.00 H new ATOM 1570 N LEU A 100 -13.165 8.931 2.607 1.00 0.00 N ATOM 1571 CA LEU A 100 -12.575 7.779 3.281 1.00 0.00 C ATOM 1572 C LEU A 100 -12.479 8.018 4.784 1.00 0.00 C ATOM 1573 O LEU A 100 -13.138 7.341 5.574 1.00 0.00 O ATOM 1574 CB LEU A 100 -11.187 7.485 2.710 1.00 0.00 C ATOM 1575 CG LEU A 100 -10.291 6.578 3.555 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -10.925 5.205 3.720 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -8.910 6.459 2.929 1.00 0.00 C ATOM 0 H LEU A 100 -12.531 9.419 1.974 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.221 6.918 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.310 7.028 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.670 8.433 2.558 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.182 7.026 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.273 4.574 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.891 5.307 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.066 4.749 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.286 5.810 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.999 6.035 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.453 7.447 2.865 1.00 0.00 H new ATOM 1589 N TYR A 101 -11.656 8.985 5.173 1.00 0.00 N ATOM 1590 CA TYR A 101 -11.473 9.314 6.582 1.00 0.00 C ATOM 1591 C TYR A 101 -12.175 10.623 6.931 1.00 0.00 C ATOM 1592 O TYR A 101 -12.656 11.336 6.051 1.00 0.00 O ATOM 1593 CB TYR A 101 -9.984 9.416 6.914 1.00 0.00 C ATOM 1594 CG TYR A 101 -9.701 9.537 8.394 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -9.740 8.422 9.222 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -9.393 10.766 8.965 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -9.483 8.528 10.576 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -9.133 10.881 10.317 1.00 0.00 C ATOM 1599 CZ TYR A 101 -9.179 9.759 11.118 1.00 0.00 C ATOM 1600 OH TYR A 101 -8.921 9.869 12.465 1.00 0.00 O ATOM 0 H TYR A 101 -11.104 9.555 4.532 1.00 0.00 H new ATOM 0 HA TYR A 101 -11.917 8.515 7.176 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -9.473 8.535 6.526 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.564 10.281 6.400 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -9.975 7.456 8.800 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -9.356 11.647 8.341 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -9.520 7.652 11.206 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.895 11.844 10.744 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.723 10.803 12.685 1.00 0.00 H new ATOM 1610 N ARG A 102 -12.228 10.932 8.223 1.00 0.00 N ATOM 1611 CA ARG A 102 -12.870 12.154 8.690 1.00 0.00 C ATOM 1612 C ARG A 102 -12.384 13.362 7.896 1.00 0.00 C ATOM 1613 O ARG A 102 -11.195 13.685 7.902 1.00 0.00 O ATOM 1614 CB ARG A 102 -12.593 12.363 10.180 1.00 0.00 C ATOM 1615 CG ARG A 102 -13.280 13.588 10.761 1.00 0.00 C ATOM 1616 CD ARG A 102 -12.402 14.824 10.653 1.00 0.00 C ATOM 1617 NE ARG A 102 -13.106 16.034 11.068 1.00 0.00 N ATOM 1618 CZ ARG A 102 -13.302 16.372 12.337 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -12.848 15.595 13.311 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -13.953 17.490 12.635 1.00 0.00 N ATOM 0 H ARG A 102 -11.834 10.353 8.964 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.944 12.051 8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -12.919 11.480 10.729 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.517 12.454 10.332 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.220 13.762 10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.527 13.406 11.807 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.513 14.692 11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.061 14.938 9.624 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.467 16.654 10.343 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.347 14.735 13.086 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.000 15.857 14.285 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.303 18.091 11.889 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.103 17.748 13.610 1.00 0.00 H new ATOM 1634 N LYS A 103 -13.310 14.027 7.213 1.00 0.00 N ATOM 1635 CA LYS A 103 -12.977 15.200 6.414 1.00 0.00 C ATOM 1636 C LYS A 103 -11.689 14.976 5.628 1.00 0.00 C ATOM 1637 O LYS A 103 -10.846 15.867 5.533 1.00 0.00 O ATOM 1638 CB LYS A 103 -12.831 16.430 7.313 1.00 0.00 C ATOM 1639 CG LYS A 103 -13.087 17.743 6.593 1.00 0.00 C ATOM 1640 CD LYS A 103 -12.458 18.914 7.330 1.00 0.00 C ATOM 1641 CE LYS A 103 -13.121 20.230 6.952 1.00 0.00 C ATOM 1642 NZ LYS A 103 -14.551 20.271 7.367 1.00 0.00 N ATOM 0 H LYS A 103 -14.298 13.773 7.197 1.00 0.00 H new ATOM 0 HA LYS A 103 -13.789 15.369 5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.524 16.343 8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -11.825 16.446 7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.684 17.689 5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -14.161 17.905 6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.544 18.757 8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -11.394 18.962 7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -12.583 21.055 7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.052 20.375 5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.848 21.260 7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.138 19.823 6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -14.667 19.759 8.265 1.00 0.00 H new ATOM 1656 N MET A 104 -11.544 13.780 5.067 1.00 0.00 N ATOM 1657 CA MET A 104 -10.359 13.440 4.287 1.00 0.00 C ATOM 1658 C MET A 104 -10.641 12.267 3.353 1.00 0.00 C ATOM 1659 O MET A 104 -11.433 11.382 3.675 1.00 0.00 O ATOM 1660 CB MET A 104 -9.192 13.100 5.215 1.00 0.00 C ATOM 1661 CG MET A 104 -7.867 12.931 4.489 1.00 0.00 C ATOM 1662 SD MET A 104 -6.758 11.782 5.326 1.00 0.00 S ATOM 1663 CE MET A 104 -6.641 10.475 4.106 1.00 0.00 C ATOM 0 H MET A 104 -12.232 13.030 5.138 1.00 0.00 H new ATOM 0 HA MET A 104 -10.092 14.306 3.682 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.090 13.888 5.961 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.422 12.180 5.753 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.055 12.576 3.476 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.379 13.902 4.401 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.582 9.511 4.610 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.522 10.496 3.465 1.00 0.00 H new ATOM 0 HE3 MET A 104 -5.747 10.622 3.500 1.00 0.00 H new ATOM 1673 N ARG A 105 -9.987 12.268 2.196 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.169 11.205 1.216 1.00 0.00 C ATOM 1675 C ARG A 105 -8.957 11.103 0.293 1.00 0.00 C ATOM 1676 O ARG A 105 -8.215 12.070 0.116 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.432 11.453 0.390 1.00 0.00 C ATOM 1678 CG ARG A 105 -11.288 12.581 -0.620 1.00 0.00 C ATOM 1679 CD ARG A 105 -12.643 13.071 -1.104 1.00 0.00 C ATOM 1680 NE ARG A 105 -13.438 13.642 -0.020 1.00 0.00 N ATOM 1681 CZ ARG A 105 -14.451 14.480 -0.214 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -14.790 14.842 -1.443 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -15.127 14.957 0.824 1.00 0.00 N ATOM 0 H ARG A 105 -9.327 12.993 1.915 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.275 10.263 1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.697 10.536 -0.137 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.257 11.683 1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.741 13.408 -0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.699 12.237 -1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.500 13.820 -1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.188 12.242 -1.555 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.203 13.383 0.938 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -14.273 14.477 -2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -15.568 15.485 -1.589 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.869 14.680 1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.904 15.600 0.674 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.763 9.926 -0.291 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.641 9.697 -1.195 1.00 0.00 C ATOM 1699 C LEU A 106 -7.566 10.789 -2.257 1.00 0.00 C ATOM 1700 O LEU A 106 -8.328 10.782 -3.225 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.771 8.327 -1.864 1.00 0.00 C ATOM 1702 CG LEU A 106 -8.027 7.145 -0.929 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -8.284 5.877 -1.729 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -6.853 6.951 0.019 1.00 0.00 C ATOM 0 H LEU A 106 -9.367 9.116 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.723 9.723 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.584 8.374 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.857 8.130 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.915 7.362 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.464 5.046 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.157 6.019 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.415 5.655 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.053 6.105 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.948 6.757 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.716 7.852 0.617 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.642 11.726 -2.071 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.466 12.824 -3.014 1.00 0.00 C ATOM 1718 C ARG A 107 -5.295 12.552 -3.954 1.00 0.00 C ATOM 1719 O ARG A 107 -5.427 12.661 -5.173 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.236 14.137 -2.263 1.00 0.00 C ATOM 1721 CG ARG A 107 -7.494 14.698 -1.619 1.00 0.00 C ATOM 1722 CD ARG A 107 -7.260 16.095 -1.065 1.00 0.00 C ATOM 1723 NE ARG A 107 -8.399 16.572 -0.286 1.00 0.00 N ATOM 1724 CZ ARG A 107 -9.506 17.066 -0.830 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -9.622 17.145 -2.148 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -10.500 17.480 -0.055 1.00 0.00 N ATOM 0 H ARG A 107 -6.004 11.747 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.375 12.907 -3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.483 13.977 -1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.832 14.876 -2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.299 14.727 -2.354 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.819 14.037 -0.816 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.368 16.092 -0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.069 16.784 -1.888 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.342 16.523 0.731 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.860 16.826 -2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.473 17.525 -2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.415 17.419 0.960 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.349 17.859 -0.474 1.00 0.00 H new ATOM 1740 N TYR A 108 -4.152 12.198 -3.378 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.957 11.913 -4.164 1.00 0.00 C ATOM 1742 C TYR A 108 -2.281 10.633 -3.684 1.00 0.00 C ATOM 1743 O TYR A 108 -1.865 10.515 -2.531 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.975 13.083 -4.081 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.612 14.428 -4.352 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -3.230 14.694 -5.567 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.596 15.432 -3.391 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -3.812 15.921 -5.819 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.176 16.662 -3.634 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.783 16.902 -4.849 1.00 0.00 C ATOM 1751 OH TYR A 108 -4.363 18.125 -5.096 1.00 0.00 O ATOM 0 H TYR A 108 -4.027 12.101 -2.370 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.261 11.775 -5.202 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.523 13.098 -3.089 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.169 12.921 -4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.256 13.928 -6.328 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.122 15.247 -2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.287 16.112 -6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.154 17.432 -2.877 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.257 18.702 -4.311 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.168 9.649 -4.588 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.543 8.359 -4.282 1.00 0.00 C ATOM 1763 C PRO A 109 -0.036 8.479 -4.080 1.00 0.00 C ATOM 1764 O PRO A 109 0.719 8.633 -5.040 1.00 0.00 O ATOM 1765 CB PRO A 109 -1.850 7.512 -5.519 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.035 8.501 -6.618 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.642 9.720 -5.981 1.00 0.00 C ATOM 0 HA PRO A 109 -1.922 7.933 -3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.035 6.823 -5.739 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.746 6.909 -5.374 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.083 8.741 -7.091 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.686 8.102 -7.396 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.312 10.636 -6.471 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.730 9.703 -6.036 1.00 0.00 H new ATOM 1775 N VAL A 110 0.396 8.407 -2.824 1.00 0.00 N ATOM 1776 CA VAL A 110 1.813 8.506 -2.496 1.00 0.00 C ATOM 1777 C VAL A 110 2.650 7.609 -3.401 1.00 0.00 C ATOM 1778 O VAL A 110 2.392 6.411 -3.518 1.00 0.00 O ATOM 1779 CB VAL A 110 2.077 8.126 -1.028 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.563 8.208 -0.714 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.276 9.020 -0.094 1.00 0.00 C ATOM 0 H VAL A 110 -0.216 8.280 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 110 2.102 9.545 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 110 1.754 7.096 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.730 7.936 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.110 7.522 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 110 3.915 9.225 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.475 8.737 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.566 10.059 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.213 8.905 -0.303 1.00 0.00 H new ATOM 1791 N THR A 111 3.657 8.197 -4.041 1.00 0.00 N ATOM 1792 CA THR A 111 4.532 7.452 -4.936 1.00 0.00 C ATOM 1793 C THR A 111 5.994 7.606 -4.530 1.00 0.00 C ATOM 1794 O THR A 111 6.377 8.558 -3.850 1.00 0.00 O ATOM 1795 CB THR A 111 4.366 7.912 -6.397 1.00 0.00 C ATOM 1796 OG1 THR A 111 4.154 9.327 -6.443 1.00 0.00 O ATOM 1797 CG2 THR A 111 3.199 7.197 -7.060 1.00 0.00 C ATOM 0 H THR A 111 3.886 9.187 -3.955 1.00 0.00 H new ATOM 0 HA THR A 111 4.244 6.404 -4.858 1.00 0.00 H new ATOM 0 HB THR A 111 5.278 7.664 -6.939 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.051 9.612 -7.375 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.101 7.538 -8.091 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.377 6.122 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.281 7.418 -6.516 1.00 0.00 H new ATOM 1805 N PRO A 112 6.831 6.648 -4.955 1.00 0.00 N ATOM 1806 CA PRO A 112 8.264 6.656 -4.648 1.00 0.00 C ATOM 1807 C PRO A 112 9.008 7.768 -5.380 1.00 0.00 C ATOM 1808 O PRO A 112 10.064 8.217 -4.937 1.00 0.00 O ATOM 1809 CB PRO A 112 8.739 5.285 -5.135 1.00 0.00 C ATOM 1810 CG PRO A 112 7.762 4.899 -6.191 1.00 0.00 C ATOM 1811 CD PRO A 112 6.443 5.484 -5.769 1.00 0.00 C ATOM 0 HA PRO A 112 8.453 6.837 -3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.753 5.336 -5.533 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.751 4.559 -4.322 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.066 5.285 -7.164 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.696 3.815 -6.284 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.840 5.778 -6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.852 4.771 -5.194 1.00 0.00 H new ATOM 1819 N GLU A 113 8.448 8.209 -6.503 1.00 0.00 N ATOM 1820 CA GLU A 113 9.059 9.269 -7.296 1.00 0.00 C ATOM 1821 C GLU A 113 8.808 10.635 -6.664 1.00 0.00 C ATOM 1822 O GLU A 113 9.625 11.548 -6.787 1.00 0.00 O ATOM 1823 CB GLU A 113 8.513 9.247 -8.725 1.00 0.00 C ATOM 1824 CG GLU A 113 9.513 9.720 -9.766 1.00 0.00 C ATOM 1825 CD GLU A 113 8.844 10.325 -10.985 1.00 0.00 C ATOM 1826 OE1 GLU A 113 8.173 11.368 -10.838 1.00 0.00 O ATOM 1827 OE2 GLU A 113 8.991 9.755 -12.086 1.00 0.00 O ATOM 0 H GLU A 113 7.573 7.849 -6.883 1.00 0.00 H new ATOM 0 HA GLU A 113 10.134 9.093 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.199 8.232 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 113 7.624 9.876 -8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.177 10.458 -9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 113 10.134 8.879 -10.076 1.00 0.00 H new ATOM 1834 N LEU A 114 7.672 10.768 -5.989 1.00 0.00 N ATOM 1835 CA LEU A 114 7.311 12.022 -5.338 1.00 0.00 C ATOM 1836 C LEU A 114 8.323 12.386 -4.257 1.00 0.00 C ATOM 1837 O LEU A 114 8.898 13.475 -4.271 1.00 0.00 O ATOM 1838 CB LEU A 114 5.912 11.919 -4.728 1.00 0.00 C ATOM 1839 CG LEU A 114 5.184 13.242 -4.488 1.00 0.00 C ATOM 1840 CD1 LEU A 114 3.680 13.054 -4.605 1.00 0.00 C ATOM 1841 CD2 LEU A 114 5.548 13.811 -3.125 1.00 0.00 C ATOM 0 H LEU A 114 6.985 10.022 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 114 7.315 12.808 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.297 11.303 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.990 11.393 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 114 5.500 13.952 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.180 14.007 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.435 12.693 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.345 12.328 -3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.021 14.753 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.261 13.103 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.623 13.985 -3.079 1.00 0.00 H new ATOM 1853 N LEU A 115 8.539 11.467 -3.323 1.00 0.00 N ATOM 1854 CA LEU A 115 9.485 11.689 -2.235 1.00 0.00 C ATOM 1855 C LEU A 115 10.746 12.381 -2.742 1.00 0.00 C ATOM 1856 O LEU A 115 11.191 13.376 -2.171 1.00 0.00 O ATOM 1857 CB LEU A 115 9.851 10.360 -1.571 1.00 0.00 C ATOM 1858 CG LEU A 115 8.965 9.927 -0.402 1.00 0.00 C ATOM 1859 CD1 LEU A 115 9.060 10.928 0.738 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.522 9.769 -0.857 1.00 0.00 C ATOM 0 H LEU A 115 8.072 10.561 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 115 9.008 12.337 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.824 9.578 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.880 10.425 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 115 9.319 8.961 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.423 10.604 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.093 10.991 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.733 11.908 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.906 9.461 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.157 10.720 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.468 9.013 -1.641 1.00 0.00 H new ATOM 1872 N GLU A 116 11.314 11.849 -3.820 1.00 0.00 N ATOM 1873 CA GLU A 116 12.523 12.418 -4.405 1.00 0.00 C ATOM 1874 C GLU A 116 12.242 13.791 -5.007 1.00 0.00 C ATOM 1875 O GLU A 116 13.083 14.688 -4.953 1.00 0.00 O ATOM 1876 CB GLU A 116 13.085 11.483 -5.478 1.00 0.00 C ATOM 1877 CG GLU A 116 13.664 10.194 -4.920 1.00 0.00 C ATOM 1878 CD GLU A 116 15.109 10.344 -4.486 1.00 0.00 C ATOM 1879 OE1 GLU A 116 15.993 10.377 -5.368 1.00 0.00 O ATOM 1880 OE2 GLU A 116 15.357 10.428 -3.265 1.00 0.00 O ATOM 0 H GLU A 116 10.957 11.026 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 116 13.261 12.533 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.293 11.239 -6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.860 12.008 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.065 9.869 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.595 9.412 -5.676 1.00 0.00 H new ATOM 1887 N ARG A 117 11.053 13.947 -5.581 1.00 0.00 N ATOM 1888 CA ARG A 117 10.661 15.210 -6.195 1.00 0.00 C ATOM 1889 C ARG A 117 10.545 16.312 -5.146 1.00 0.00 C ATOM 1890 O ARG A 117 10.941 17.454 -5.384 1.00 0.00 O ATOM 1891 CB ARG A 117 9.330 15.051 -6.933 1.00 0.00 C ATOM 1892 CG ARG A 117 8.671 16.373 -7.290 1.00 0.00 C ATOM 1893 CD ARG A 117 7.373 16.160 -8.053 1.00 0.00 C ATOM 1894 NE ARG A 117 7.611 15.749 -9.434 1.00 0.00 N ATOM 1895 CZ ARG A 117 6.711 15.870 -10.403 1.00 0.00 C ATOM 1896 NH1 ARG A 117 5.518 16.388 -10.143 1.00 0.00 N ATOM 1897 NH2 ARG A 117 7.002 15.473 -11.635 1.00 0.00 N ATOM 0 H ARG A 117 10.345 13.215 -5.634 1.00 0.00 H new ATOM 0 HA ARG A 117 11.434 15.493 -6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.496 14.479 -7.846 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.647 14.470 -6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.471 16.938 -6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.355 16.971 -7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 117 6.775 15.402 -7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.792 17.082 -8.044 1.00 0.00 H new ATOM 0 HE ARG A 117 8.519 15.347 -9.667 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.290 16.694 -9.197 1.00 0.00 H new ATOM 0 HH12 ARG A 117 4.828 16.480 -10.889 1.00 0.00 H new ATOM 0 HH21 ARG A 117 7.918 15.074 -11.839 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.309 15.567 -12.378 1.00 0.00 H new ATOM 1911 N TYR A 118 10.001 15.962 -3.986 1.00 0.00 N ATOM 1912 CA TYR A 118 9.830 16.922 -2.902 1.00 0.00 C ATOM 1913 C TYR A 118 11.052 16.935 -1.988 1.00 0.00 C ATOM 1914 O TYR A 118 10.939 17.169 -0.785 1.00 0.00 O ATOM 1915 CB TYR A 118 8.576 16.590 -2.091 1.00 0.00 C ATOM 1916 CG TYR A 118 7.287 16.949 -2.795 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.083 16.611 -4.127 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.274 17.626 -2.128 1.00 0.00 C ATOM 1919 CE1 TYR A 118 5.907 16.938 -4.775 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.094 17.955 -2.768 1.00 0.00 C ATOM 1921 CZ TYR A 118 4.916 17.609 -4.091 1.00 0.00 C ATOM 1922 OH TYR A 118 3.743 17.937 -4.731 1.00 0.00 O ATOM 0 H TYR A 118 9.671 15.021 -3.772 1.00 0.00 H new ATOM 0 HA TYR A 118 9.718 17.913 -3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.572 15.524 -1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.619 17.118 -1.138 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.857 16.084 -4.665 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.411 17.900 -1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.765 16.669 -5.811 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.315 18.480 -2.235 1.00 0.00 H new ATOM 0 HH TYR A 118 3.150 18.406 -4.107 1.00 0.00 H new ATOM 1932 N SER A 119 12.220 16.681 -2.569 1.00 0.00 N ATOM 1933 CA SER A 119 13.464 16.660 -1.808 1.00 0.00 C ATOM 1934 C SER A 119 14.626 17.174 -2.652 1.00 0.00 C ATOM 1935 O SER A 119 14.949 16.607 -3.695 1.00 0.00 O ATOM 1936 CB SER A 119 13.762 15.241 -1.319 1.00 0.00 C ATOM 1937 OG SER A 119 14.921 15.217 -0.503 1.00 0.00 O ATOM 0 H SER A 119 12.331 16.487 -3.564 1.00 0.00 H new ATOM 0 HA SER A 119 13.346 17.317 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.909 14.860 -0.757 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.901 14.580 -2.174 1.00 0.00 H new ATOM 0 HG SER A 119 15.090 14.300 -0.201 1.00 0.00 H new