USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1150 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 101 THR OG1 : rot -168:sc= 0.948 USER MOD Set 1.2: A 103 ASN : amide:sc= 0.631 X(o=1.6,f=2.1) USER MOD Set 2.1: A 96 LYS NZ :NH3+ 149:sc= 1.33 (180deg=0) USER MOD Set 2.2: A 100 TYR OH : rot -57:sc= 3.07 USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 113 SER OG : rot -10:sc= 0.979 USER MOD Single : A 1 PHE N :NH3+ -169:sc= 0.422 (180deg=0.161) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.0552 USER MOD Single : A 14 MET CE :methyl -151:sc= -0.0364 (180deg=-1.15) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0573 K(o=-0.057,f=-0.74) USER MOD Single : A 26 SER OG : rot 8:sc= 0.144 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= 0.712 (180deg=-0.0675!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0224 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0.629 (180deg=0.629) USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= 0.169 (180deg=-0.888!) USER MOD Single : A 42 TYR OH : rot 171:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.97! C(o=-3!,f=-10!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -56:sc= 1.14 USER MOD Single : A 53 LYS NZ :NH3+ -156:sc= 1.26 (180deg=1.06) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc=-0.00892 (180deg=-0.154) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.015) USER MOD Single : A 56 SER OG : rot 160:sc= -0.125 USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= 1.2 (180deg=0.776) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0862) USER MOD Single : A 67 HIS : no HD1:sc= -2.1! K(o=-2.1!,f=-0.085) USER MOD Single : A 69 MET CE :methyl -158:sc= -2.41 (180deg=-4.13!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.15) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -77:sc= 1.1 USER MOD Single : A 99 TYR OH : rot 174:sc= -0.0351 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0426 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -176:sc= 1.31 (180deg=1.24) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -168:sc= 1.22 (180deg=0.964) USER MOD Single : A 121 TYR OH : rot 30:sc= -1.18 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl -153:sc= -0.147 (180deg=-0.681) USER MOD Single : A 125 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 129 LYS NZ :NH3+ 176:sc= 0.635 (180deg=0.625) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -2.96! K(o=-3!,f=-2.1) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 152:sc= 1.22 (180deg=0.665) USER MOD Single : A 150 LYS NZ :NH3+ -140:sc= -0.113 (180deg=-0.618) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 1 3.798 19.435 -9.859 1.00 1.03 N ATOM 222 CA PHE A 1 3.152 18.234 -10.365 1.00 1.07 C ATOM 223 C PHE A 1 1.657 18.268 -10.052 1.00 0.89 C ATOM 224 O PHE A 1 1.238 18.797 -9.018 1.00 0.81 O ATOM 225 CB PHE A 1 3.801 16.981 -9.758 1.00 1.39 C ATOM 226 CG PHE A 1 3.468 16.751 -8.310 1.00 0.93 C ATOM 227 CD1 PHE A 1 4.030 17.534 -7.315 1.00 1.15 C ATOM 228 CD2 PHE A 1 2.586 15.744 -7.948 1.00 1.11 C ATOM 229 CE1 PHE A 1 3.719 17.316 -5.987 1.00 1.47 C ATOM 230 CE2 PHE A 1 2.271 15.523 -6.624 1.00 1.14 C ATOM 231 CZ PHE A 1 2.839 16.310 -5.641 1.00 1.31 C ATOM 0 H1 PHE A 1 4.766 19.493 -10.234 1.00 1.03 H new ATOM 0 H2 PHE A 1 3.259 20.272 -10.160 1.00 1.03 H new ATOM 0 H3 PHE A 1 3.831 19.400 -8.820 1.00 1.03 H new ATOM 0 HA PHE A 1 3.280 18.197 -11.447 1.00 1.07 H new ATOM 0 HB2 PHE A 1 3.489 16.109 -10.333 1.00 1.39 H new ATOM 0 HB3 PHE A 1 4.883 17.060 -9.862 1.00 1.39 H new ATOM 0 HD1 PHE A 1 4.718 18.323 -7.580 1.00 1.15 H new ATOM 0 HD2 PHE A 1 2.140 15.125 -8.713 1.00 1.11 H new ATOM 0 HE1 PHE A 1 4.164 17.932 -5.220 1.00 1.47 H new ATOM 0 HE2 PHE A 1 1.582 14.736 -6.356 1.00 1.14 H new ATOM 0 HZ PHE A 1 2.595 16.139 -4.603 1.00 1.31 H new ATOM 241 N LYS A 2 0.849 17.713 -10.940 1.00 0.96 N ATOM 242 CA LYS A 2 -0.592 17.687 -10.736 1.00 0.98 C ATOM 243 C LYS A 2 -1.102 16.251 -10.732 1.00 1.01 C ATOM 244 O LYS A 2 -0.404 15.349 -11.193 1.00 1.42 O ATOM 245 CB LYS A 2 -1.311 18.530 -11.796 1.00 1.14 C ATOM 246 CG LYS A 2 -0.941 20.006 -11.735 1.00 1.62 C ATOM 247 CD LYS A 2 -1.731 20.843 -12.731 1.00 2.02 C ATOM 248 CE LYS A 2 -1.281 22.298 -12.706 1.00 2.67 C ATOM 249 NZ LYS A 2 -2.099 23.162 -13.600 1.00 3.15 N ATOM 0 H LYS A 2 1.163 17.276 -11.806 1.00 0.96 H new ATOM 0 HA LYS A 2 -0.811 18.127 -9.763 1.00 0.98 H new ATOM 0 HB2 LYS A 2 -1.070 18.142 -12.786 1.00 1.14 H new ATOM 0 HB3 LYS A 2 -2.388 18.426 -11.666 1.00 1.14 H new ATOM 0 HG2 LYS A 2 -1.119 20.381 -10.727 1.00 1.62 H new ATOM 0 HG3 LYS A 2 0.125 20.119 -11.934 1.00 1.62 H new ATOM 0 HD2 LYS A 2 -1.602 20.437 -13.734 1.00 2.02 H new ATOM 0 HD3 LYS A 2 -2.794 20.784 -12.497 1.00 2.02 H new ATOM 0 HE2 LYS A 2 -1.341 22.676 -11.686 1.00 2.67 H new ATOM 0 HE3 LYS A 2 -0.235 22.357 -13.007 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 -1.753 24.142 -13.547 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 -2.022 22.820 -14.579 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 -3.094 23.129 -13.299 1.00 3.15 H new ATOM 263 N TYR A 3 -2.298 16.042 -10.193 1.00 0.91 N ATOM 264 CA TYR A 3 -2.850 14.699 -10.020 1.00 0.94 C ATOM 265 C TYR A 3 -2.858 13.921 -11.334 1.00 1.01 C ATOM 266 O TYR A 3 -2.330 12.810 -11.415 1.00 0.90 O ATOM 267 CB TYR A 3 -4.268 14.794 -9.448 1.00 1.02 C ATOM 268 CG TYR A 3 -4.908 13.462 -9.124 1.00 1.12 C ATOM 269 CD1 TYR A 3 -4.362 12.622 -8.162 1.00 1.31 C ATOM 270 CD2 TYR A 3 -6.063 13.051 -9.774 1.00 1.36 C ATOM 271 CE1 TYR A 3 -4.950 11.409 -7.858 1.00 1.62 C ATOM 272 CE2 TYR A 3 -6.658 11.841 -9.473 1.00 1.78 C ATOM 273 CZ TYR A 3 -6.096 11.024 -8.516 1.00 1.87 C ATOM 274 OH TYR A 3 -6.690 9.819 -8.210 1.00 2.35 O ATOM 0 H TYR A 3 -2.909 16.790 -9.866 1.00 0.91 H new ATOM 0 HA TYR A 3 -2.212 14.156 -9.322 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -4.240 15.399 -8.541 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -4.899 15.321 -10.163 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -3.463 12.922 -7.643 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -6.504 13.687 -10.527 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -4.513 10.766 -7.108 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -7.559 11.537 -9.985 1.00 1.78 H new ATOM 0 HH TYR A 3 -7.490 9.699 -8.763 1.00 2.35 H new ATOM 284 N GLU A 4 -3.435 14.524 -12.367 1.00 1.38 N ATOM 285 CA GLU A 4 -3.552 13.877 -13.671 1.00 1.74 C ATOM 286 C GLU A 4 -2.221 13.819 -14.420 1.00 1.24 C ATOM 287 O GLU A 4 -2.157 13.286 -15.529 1.00 1.52 O ATOM 288 CB GLU A 4 -4.595 14.600 -14.528 1.00 2.44 C ATOM 289 CG GLU A 4 -6.031 14.318 -14.115 1.00 3.05 C ATOM 290 CD GLU A 4 -6.388 12.850 -14.234 1.00 3.65 C ATOM 291 OE1 GLU A 4 -5.748 12.139 -15.038 1.00 4.16 O ATOM 292 OE2 GLU A 4 -7.298 12.392 -13.512 1.00 3.95 O ATOM 0 H GLU A 4 -3.831 15.463 -12.328 1.00 1.38 H new ATOM 0 HA GLU A 4 -3.868 12.850 -13.487 1.00 1.74 H new ATOM 0 HB2 GLU A 4 -4.415 15.674 -14.473 1.00 2.44 H new ATOM 0 HB3 GLU A 4 -4.462 14.307 -15.569 1.00 2.44 H new ATOM 0 HG2 GLU A 4 -6.181 14.643 -13.086 1.00 3.05 H new ATOM 0 HG3 GLU A 4 -6.707 14.905 -14.736 1.00 3.05 H new ATOM 299 N ASP A 5 -1.159 14.344 -13.824 1.00 0.71 N ATOM 300 CA ASP A 5 0.136 14.361 -14.495 1.00 0.73 C ATOM 301 C ASP A 5 0.938 13.118 -14.133 1.00 0.72 C ATOM 302 O ASP A 5 1.859 12.721 -14.850 1.00 0.90 O ATOM 303 CB ASP A 5 0.915 15.623 -14.134 1.00 1.07 C ATOM 304 CG ASP A 5 2.096 15.850 -15.052 1.00 1.83 C ATOM 305 OD1 ASP A 5 1.875 16.233 -16.224 1.00 2.15 O ATOM 306 OD2 ASP A 5 3.245 15.673 -14.605 1.00 2.57 O ATOM 0 H ASP A 5 -1.165 14.758 -12.892 1.00 0.71 H new ATOM 0 HA ASP A 5 -0.036 14.362 -15.571 1.00 0.73 H new ATOM 0 HB2 ASP A 5 0.249 16.485 -14.182 1.00 1.07 H new ATOM 0 HB3 ASP A 5 1.266 15.549 -13.105 1.00 1.07 H new ATOM 311 N ILE A 6 0.564 12.500 -13.023 1.00 0.58 N ATOM 312 CA ILE A 6 1.181 11.257 -12.585 1.00 0.55 C ATOM 313 C ILE A 6 0.674 10.123 -13.474 1.00 0.54 C ATOM 314 O ILE A 6 -0.509 10.110 -13.831 1.00 0.58 O ATOM 315 CB ILE A 6 0.828 10.972 -11.103 1.00 0.55 C ATOM 316 CG1 ILE A 6 1.228 12.165 -10.230 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.508 9.700 -10.607 1.00 0.56 C ATOM 318 CD1 ILE A 6 0.846 12.014 -8.773 1.00 0.69 C ATOM 0 H ILE A 6 -0.171 12.843 -12.404 1.00 0.58 H new ATOM 0 HA ILE A 6 2.265 11.336 -12.666 1.00 0.55 H new ATOM 0 HB ILE A 6 -0.250 10.823 -11.033 1.00 0.55 H new ATOM 0 HG12 ILE A 6 2.306 12.308 -10.300 1.00 0.63 H new ATOM 0 HG13 ILE A 6 0.760 13.066 -10.627 1.00 0.63 H new ATOM 0 HG21 ILE A 6 1.241 9.527 -9.564 1.00 0.56 H new ATOM 0 HG22 ILE A 6 1.181 8.853 -11.210 1.00 0.56 H new ATOM 0 HG23 ILE A 6 2.589 9.809 -10.691 1.00 0.56 H new ATOM 0 HD11 ILE A 6 1.163 12.899 -8.220 1.00 0.69 H new ATOM 0 HD12 ILE A 6 -0.235 11.902 -8.690 1.00 0.69 H new ATOM 0 HD13 ILE A 6 1.335 11.133 -8.358 1.00 0.69 H new ATOM 325 N PRO A 7 1.561 9.184 -13.885 1.00 0.53 N ATOM 326 CA PRO A 7 1.195 8.061 -14.757 1.00 0.55 C ATOM 327 C PRO A 7 -0.100 7.381 -14.328 1.00 0.53 C ATOM 328 O PRO A 7 -0.167 6.755 -13.266 1.00 0.52 O ATOM 329 CB PRO A 7 2.377 7.107 -14.613 1.00 0.55 C ATOM 330 CG PRO A 7 3.535 8.004 -14.354 1.00 0.60 C ATOM 331 CD PRO A 7 2.998 9.146 -13.533 1.00 0.54 C ATOM 0 HA PRO A 7 1.011 8.385 -15.781 1.00 0.55 H new ATOM 0 HB2 PRO A 7 2.225 6.405 -13.793 1.00 0.55 H new ATOM 0 HB3 PRO A 7 2.525 6.515 -15.517 1.00 0.55 H new ATOM 0 HG2 PRO A 7 4.325 7.477 -13.820 1.00 0.60 H new ATOM 0 HG3 PRO A 7 3.967 8.364 -15.288 1.00 0.60 H new ATOM 0 HD2 PRO A 7 3.145 8.976 -12.466 1.00 0.54 H new ATOM 0 HD3 PRO A 7 3.496 10.084 -13.778 1.00 0.54 H new ATOM 339 N ALA A 8 -1.122 7.510 -15.163 1.00 0.55 N ATOM 340 CA ALA A 8 -2.445 6.990 -14.851 1.00 0.54 C ATOM 341 C ALA A 8 -2.442 5.470 -14.773 1.00 0.55 C ATOM 342 O ALA A 8 -3.272 4.880 -14.082 1.00 0.56 O ATOM 343 CB ALA A 8 -3.462 7.472 -15.874 1.00 0.57 C ATOM 0 H ALA A 8 -1.058 7.974 -16.069 1.00 0.55 H new ATOM 0 HA ALA A 8 -2.729 7.371 -13.870 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.445 7.073 -15.625 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -3.499 8.561 -15.865 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -3.171 7.127 -16.866 1.00 0.57 H new ATOM 349 N ASP A 9 -1.493 4.839 -15.460 1.00 0.55 N ATOM 350 CA ASP A 9 -1.394 3.383 -15.448 1.00 0.57 C ATOM 351 C ASP A 9 -1.045 2.914 -14.041 1.00 0.54 C ATOM 352 O ASP A 9 -1.506 1.880 -13.561 1.00 0.55 O ATOM 353 CB ASP A 9 -0.322 2.919 -16.441 1.00 0.61 C ATOM 354 CG ASP A 9 -0.230 1.409 -16.554 1.00 0.93 C ATOM 355 OD1 ASP A 9 -1.281 0.741 -16.647 1.00 1.33 O ATOM 356 OD2 ASP A 9 0.898 0.883 -16.565 1.00 1.37 O ATOM 0 H ASP A 9 -0.787 5.309 -16.027 1.00 0.55 H new ATOM 0 HA ASP A 9 -2.350 2.953 -15.745 1.00 0.57 H new ATOM 0 HB2 ASP A 9 -0.539 3.338 -17.423 1.00 0.61 H new ATOM 0 HB3 ASP A 9 0.646 3.314 -16.133 1.00 0.61 H new ATOM 361 N TYR A 10 -0.230 3.731 -13.383 1.00 0.52 N ATOM 362 CA TYR A 10 0.241 3.467 -12.033 1.00 0.50 C ATOM 363 C TYR A 10 -0.784 3.934 -11.006 1.00 0.49 C ATOM 364 O TYR A 10 -0.875 3.380 -9.913 1.00 0.51 O ATOM 365 CB TYR A 10 1.579 4.181 -11.824 1.00 0.52 C ATOM 366 CG TYR A 10 2.217 3.957 -10.471 1.00 0.53 C ATOM 367 CD1 TYR A 10 2.809 2.745 -10.155 1.00 0.59 C ATOM 368 CD2 TYR A 10 2.241 4.968 -9.516 1.00 0.59 C ATOM 369 CE1 TYR A 10 3.406 2.543 -8.925 1.00 0.66 C ATOM 370 CE2 TYR A 10 2.839 4.773 -8.286 1.00 0.66 C ATOM 371 CZ TYR A 10 3.420 3.558 -7.997 1.00 0.70 C ATOM 372 OH TYR A 10 4.020 3.358 -6.775 1.00 0.80 O ATOM 0 H TYR A 10 0.124 4.602 -13.777 1.00 0.52 H new ATOM 0 HA TYR A 10 0.379 2.394 -11.900 1.00 0.50 H new ATOM 0 HB2 TYR A 10 2.274 3.852 -12.596 1.00 0.52 H new ATOM 0 HB3 TYR A 10 1.429 5.251 -11.966 1.00 0.52 H new ATOM 0 HD1 TYR A 10 2.804 1.946 -10.881 1.00 0.59 H new ATOM 0 HD2 TYR A 10 1.785 5.921 -9.740 1.00 0.59 H new ATOM 0 HE1 TYR A 10 3.860 1.591 -8.693 1.00 0.66 H new ATOM 0 HE2 TYR A 10 2.851 5.568 -7.555 1.00 0.66 H new ATOM 0 HH TYR A 10 3.944 4.173 -6.236 1.00 0.80 H new ATOM 382 N ARG A 11 -1.566 4.950 -11.362 1.00 0.48 N ATOM 383 CA ARG A 11 -2.617 5.440 -10.473 1.00 0.49 C ATOM 384 C ARG A 11 -3.735 4.409 -10.381 1.00 0.50 C ATOM 385 O ARG A 11 -4.554 4.427 -9.462 1.00 0.54 O ATOM 386 CB ARG A 11 -3.166 6.777 -10.968 1.00 0.51 C ATOM 387 CG ARG A 11 -2.228 7.951 -10.739 1.00 0.48 C ATOM 388 CD ARG A 11 -2.643 9.156 -11.567 1.00 0.60 C ATOM 389 NE ARG A 11 -4.079 9.419 -11.488 1.00 0.88 N ATOM 390 CZ ARG A 11 -4.752 10.131 -12.392 1.00 1.19 C ATOM 391 NH1 ARG A 11 -4.122 10.645 -13.444 1.00 1.61 N ATOM 392 NH2 ARG A 11 -6.055 10.321 -12.251 1.00 1.73 N ATOM 0 H ARG A 11 -1.494 5.446 -12.250 1.00 0.48 H new ATOM 0 HA ARG A 11 -2.192 5.596 -9.481 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -3.380 6.698 -12.034 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -4.113 6.978 -10.467 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -2.225 8.217 -9.682 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -1.209 7.662 -10.998 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -2.096 10.034 -11.224 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -2.363 8.992 -12.608 1.00 0.60 H new ATOM 0 HE ARG A 11 -4.595 9.036 -10.696 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -3.120 10.495 -13.562 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -4.641 11.189 -14.133 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -6.545 9.922 -11.450 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -6.569 10.866 -12.943 1.00 1.73 H new ATOM 406 N ASP A 12 -3.746 3.519 -11.360 1.00 0.48 N ATOM 407 CA ASP A 12 -4.648 2.377 -11.381 1.00 0.50 C ATOM 408 C ASP A 12 -4.249 1.370 -10.305 1.00 0.52 C ATOM 409 O ASP A 12 -5.051 0.538 -9.889 1.00 0.62 O ATOM 410 CB ASP A 12 -4.598 1.717 -12.760 1.00 0.51 C ATOM 411 CG ASP A 12 -5.957 1.649 -13.427 1.00 0.76 C ATOM 412 OD1 ASP A 12 -6.579 2.711 -13.640 1.00 1.02 O ATOM 413 OD2 ASP A 12 -6.403 0.534 -13.767 1.00 0.99 O ATOM 0 H ASP A 12 -3.126 3.568 -12.168 1.00 0.48 H new ATOM 0 HA ASP A 12 -5.663 2.717 -11.178 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -3.912 2.273 -13.399 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -4.196 0.709 -12.661 1.00 0.51 H new ATOM 418 N LEU A 13 -2.993 1.449 -9.871 1.00 0.50 N ATOM 419 CA LEU A 13 -2.483 0.584 -8.811 1.00 0.53 C ATOM 420 C LEU A 13 -2.602 1.269 -7.455 1.00 0.62 C ATOM 421 O LEU A 13 -2.680 0.608 -6.422 1.00 0.93 O ATOM 422 CB LEU A 13 -1.017 0.224 -9.068 1.00 0.49 C ATOM 423 CG LEU A 13 -0.739 -0.538 -10.364 1.00 0.44 C ATOM 424 CD1 LEU A 13 0.746 -0.829 -10.498 1.00 0.78 C ATOM 425 CD2 LEU A 13 -1.539 -1.830 -10.401 1.00 0.88 C ATOM 0 H LEU A 13 -2.307 2.107 -10.240 1.00 0.50 H new ATOM 0 HA LEU A 13 -3.081 -0.327 -8.807 1.00 0.53 H new ATOM 0 HB2 LEU A 13 -0.432 1.144 -9.076 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -0.657 -0.375 -8.232 1.00 0.49 H new ATOM 0 HG LEU A 13 -1.047 0.083 -11.205 1.00 0.44 H new ATOM 0 HD11 LEU A 13 0.928 -1.372 -11.425 1.00 0.78 H new ATOM 0 HD12 LEU A 13 1.301 0.109 -10.512 1.00 0.78 H new ATOM 0 HD13 LEU A 13 1.076 -1.433 -9.653 1.00 0.78 H new ATOM 0 HD21 LEU A 13 -1.330 -2.361 -11.330 1.00 0.88 H new ATOM 0 HD22 LEU A 13 -1.258 -2.456 -9.554 1.00 0.88 H new ATOM 0 HD23 LEU A 13 -2.603 -1.601 -10.346 1.00 0.88 H new ATOM 437 N MET A 14 -2.593 2.598 -7.471 1.00 0.55 N ATOM 438 CA MET A 14 -2.730 3.382 -6.248 1.00 0.64 C ATOM 439 C MET A 14 -4.078 3.114 -5.592 1.00 0.55 C ATOM 440 O MET A 14 -5.123 3.270 -6.224 1.00 0.53 O ATOM 441 CB MET A 14 -2.603 4.876 -6.542 1.00 0.82 C ATOM 442 CG MET A 14 -1.195 5.350 -6.851 1.00 0.97 C ATOM 443 SD MET A 14 -1.141 7.129 -7.163 1.00 1.15 S ATOM 444 CE MET A 14 0.622 7.412 -7.285 1.00 1.04 C ATOM 0 H MET A 14 -2.492 3.156 -8.319 1.00 0.55 H new ATOM 0 HA MET A 14 -1.930 3.083 -5.570 1.00 0.64 H new ATOM 0 HB2 MET A 14 -3.247 5.121 -7.387 1.00 0.82 H new ATOM 0 HB3 MET A 14 -2.978 5.433 -5.684 1.00 0.82 H new ATOM 0 HG2 MET A 14 -0.538 5.107 -6.016 1.00 0.97 H new ATOM 0 HG3 MET A 14 -0.814 4.816 -7.722 1.00 0.97 H new ATOM 0 HE1 MET A 14 0.850 8.429 -6.965 1.00 1.04 H new ATOM 0 HE2 MET A 14 1.149 6.704 -6.646 1.00 1.04 H new ATOM 0 HE3 MET A 14 0.942 7.276 -8.318 1.00 1.04 H new ATOM 454 N PRO A 15 -4.078 2.711 -4.316 1.00 0.62 N ATOM 455 CA PRO A 15 -5.311 2.416 -3.593 1.00 0.67 C ATOM 456 C PRO A 15 -6.127 3.673 -3.289 1.00 0.59 C ATOM 457 O PRO A 15 -5.560 4.765 -3.158 1.00 0.57 O ATOM 458 CB PRO A 15 -4.825 1.756 -2.300 1.00 0.88 C ATOM 459 CG PRO A 15 -3.434 2.256 -2.109 1.00 0.90 C ATOM 460 CD PRO A 15 -2.878 2.502 -3.486 1.00 0.74 C ATOM 0 HA PRO A 15 -5.981 1.784 -4.177 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -5.460 2.026 -1.456 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -4.846 0.669 -2.380 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -3.428 3.172 -1.519 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -2.829 1.526 -1.571 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -2.223 3.373 -3.503 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -2.291 1.654 -3.838 1.00 0.74 H new ATOM 468 N PRO A 16 -7.463 3.548 -3.187 1.00 0.65 N ATOM 469 CA PRO A 16 -8.355 4.692 -2.957 1.00 0.70 C ATOM 470 C PRO A 16 -7.879 5.571 -1.807 1.00 0.71 C ATOM 471 O PRO A 16 -7.730 6.793 -1.949 1.00 0.74 O ATOM 472 CB PRO A 16 -9.684 4.031 -2.596 1.00 0.85 C ATOM 473 CG PRO A 16 -9.652 2.724 -3.304 1.00 0.96 C ATOM 474 CD PRO A 16 -8.214 2.283 -3.289 1.00 0.76 C ATOM 0 HA PRO A 16 -8.407 5.351 -3.824 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -9.781 3.897 -1.519 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -10.530 4.637 -2.919 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -10.290 1.994 -2.806 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -10.019 2.824 -4.325 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -8.006 1.624 -2.446 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -7.954 1.734 -4.194 1.00 0.76 H new ATOM 482 N GLU A 17 -7.595 4.919 -0.684 1.00 0.78 N ATOM 483 CA GLU A 17 -7.157 5.584 0.539 1.00 0.89 C ATOM 484 C GLU A 17 -5.683 5.994 0.454 1.00 0.84 C ATOM 485 O GLU A 17 -4.913 5.834 1.404 1.00 1.13 O ATOM 486 CB GLU A 17 -7.402 4.644 1.720 1.00 1.09 C ATOM 487 CG GLU A 17 -8.851 4.185 1.803 1.00 1.48 C ATOM 488 CD GLU A 17 -9.067 3.024 2.752 1.00 1.36 C ATOM 489 OE1 GLU A 17 -8.813 1.868 2.349 1.00 1.65 O ATOM 490 OE2 GLU A 17 -9.522 3.259 3.891 1.00 1.83 O ATOM 0 H GLU A 17 -7.663 3.905 -0.596 1.00 0.78 H new ATOM 0 HA GLU A 17 -7.730 6.501 0.677 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -6.752 3.774 1.629 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -7.130 5.150 2.646 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -9.471 5.023 2.121 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -9.190 3.897 0.808 1.00 1.48 H new ATOM 497 N ALA A 18 -5.315 6.521 -0.701 1.00 0.72 N ATOM 498 CA ALA A 18 -3.987 7.054 -0.955 1.00 0.73 C ATOM 499 C ALA A 18 -4.076 8.052 -2.094 1.00 0.62 C ATOM 500 O ALA A 18 -3.425 9.098 -2.077 1.00 0.72 O ATOM 501 CB ALA A 18 -3.007 5.939 -1.294 1.00 0.82 C ATOM 0 H ALA A 18 -5.941 6.592 -1.503 1.00 0.72 H new ATOM 0 HA ALA A 18 -3.617 7.550 -0.057 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -2.021 6.365 -1.480 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -2.949 5.240 -0.460 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -3.349 5.413 -2.186 1.00 0.82 H new ATOM 507 N ARG A 19 -4.907 7.719 -3.080 1.00 0.52 N ATOM 508 CA ARG A 19 -5.199 8.629 -4.178 1.00 0.49 C ATOM 509 C ARG A 19 -5.972 9.836 -3.671 1.00 0.50 C ATOM 510 O ARG A 19 -5.834 10.927 -4.204 1.00 0.52 O ATOM 511 CB ARG A 19 -6.011 7.931 -5.271 1.00 0.52 C ATOM 512 CG ARG A 19 -5.290 6.765 -5.918 1.00 0.64 C ATOM 513 CD ARG A 19 -6.036 6.241 -7.136 1.00 0.72 C ATOM 514 NE ARG A 19 -7.354 5.702 -6.803 1.00 1.01 N ATOM 515 CZ ARG A 19 -7.897 4.644 -7.408 1.00 1.43 C ATOM 516 NH1 ARG A 19 -7.212 3.974 -8.329 1.00 1.46 N ATOM 517 NH2 ARG A 19 -9.122 4.246 -7.083 1.00 2.16 N ATOM 0 H ARG A 19 -5.390 6.822 -3.138 1.00 0.52 H new ATOM 0 HA ARG A 19 -4.249 8.955 -4.601 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -6.948 7.575 -4.843 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -6.269 8.659 -6.040 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -4.288 7.076 -6.213 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -5.173 5.962 -5.191 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -6.150 7.047 -7.861 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -5.441 5.464 -7.615 1.00 0.72 H new ATOM 0 HE ARG A 19 -7.889 6.161 -6.066 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -6.267 4.268 -8.576 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -7.631 3.166 -8.789 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -9.649 4.749 -6.370 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -9.535 3.437 -7.547 1.00 2.16 H new ATOM 531 N ASP A 20 -6.790 9.612 -2.642 1.00 0.53 N ATOM 532 CA ASP A 20 -7.594 10.673 -2.028 1.00 0.57 C ATOM 533 C ASP A 20 -6.742 11.894 -1.687 1.00 0.56 C ATOM 534 O ASP A 20 -7.112 13.022 -2.000 1.00 0.57 O ATOM 535 CB ASP A 20 -8.280 10.152 -0.761 1.00 0.63 C ATOM 536 CG ASP A 20 -9.150 11.199 -0.091 1.00 0.80 C ATOM 537 OD1 ASP A 20 -10.314 11.370 -0.512 1.00 1.06 O ATOM 538 OD2 ASP A 20 -8.680 11.851 0.864 1.00 0.98 O ATOM 0 H ASP A 20 -6.915 8.696 -2.212 1.00 0.53 H new ATOM 0 HA ASP A 20 -8.350 10.976 -2.753 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -8.891 9.286 -1.014 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -7.521 9.811 -0.056 1.00 0.63 H new ATOM 543 N PHE A 21 -5.597 11.655 -1.065 1.00 0.57 N ATOM 544 CA PHE A 21 -4.677 12.726 -0.689 1.00 0.57 C ATOM 545 C PHE A 21 -4.228 13.537 -1.908 1.00 0.55 C ATOM 546 O PHE A 21 -4.519 14.725 -1.975 1.00 0.64 O ATOM 547 CB PHE A 21 -3.478 12.153 0.075 1.00 0.60 C ATOM 548 CG PHE A 21 -2.639 13.187 0.777 1.00 0.59 C ATOM 549 CD1 PHE A 21 -3.060 13.754 1.967 1.00 0.62 C ATOM 550 CD2 PHE A 21 -1.430 13.597 0.238 1.00 0.64 C ATOM 551 CE1 PHE A 21 -2.292 14.709 2.609 1.00 0.65 C ATOM 552 CE2 PHE A 21 -0.659 14.552 0.875 1.00 0.65 C ATOM 553 CZ PHE A 21 -1.086 15.084 2.091 1.00 0.63 C ATOM 0 H PHE A 21 -5.278 10.721 -0.807 1.00 0.57 H new ATOM 0 HA PHE A 21 -5.207 13.413 -0.029 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -3.840 11.435 0.811 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -2.847 11.603 -0.623 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -4.000 13.447 2.400 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -1.086 13.166 -0.690 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -2.648 15.160 3.524 1.00 0.65 H new ATOM 0 HE2 PHE A 21 0.269 14.884 0.433 1.00 0.65 H new ATOM 0 HZ PHE A 21 -0.465 15.790 2.621 1.00 0.63 H new ATOM 563 N LEU A 22 -3.564 12.940 -2.880 1.00 0.56 N ATOM 564 CA LEU A 22 -3.127 13.718 -4.047 1.00 0.55 C ATOM 565 C LEU A 22 -4.291 14.077 -4.973 1.00 0.54 C ATOM 566 O LEU A 22 -4.126 14.877 -5.895 1.00 0.57 O ATOM 567 CB LEU A 22 -2.008 13.017 -4.816 1.00 0.56 C ATOM 568 CG LEU A 22 -0.615 13.146 -4.202 1.00 0.65 C ATOM 569 CD1 LEU A 22 0.394 12.329 -4.994 1.00 1.04 C ATOM 570 CD2 LEU A 22 -0.199 14.609 -4.152 1.00 1.13 C ATOM 0 H LEU A 22 -3.316 11.951 -2.897 1.00 0.56 H new ATOM 0 HA LEU A 22 -2.723 14.652 -3.658 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -2.254 11.958 -4.899 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -1.979 13.418 -5.829 1.00 0.56 H new ATOM 0 HG LEU A 22 -0.644 12.757 -3.184 1.00 0.65 H new ATOM 0 HD11 LEU A 22 1.381 12.433 -4.543 1.00 1.04 H new ATOM 0 HD12 LEU A 22 0.099 11.280 -4.985 1.00 1.04 H new ATOM 0 HD13 LEU A 22 0.426 12.688 -6.023 1.00 1.04 H new ATOM 0 HD21 LEU A 22 0.795 14.690 -3.713 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -0.184 15.018 -5.162 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -0.910 15.169 -3.545 1.00 1.13 H new ATOM 582 N GLN A 23 -5.458 13.506 -4.732 1.00 0.52 N ATOM 583 CA GLN A 23 -6.688 14.027 -5.316 1.00 0.52 C ATOM 584 C GLN A 23 -7.018 15.387 -4.695 1.00 0.53 C ATOM 585 O GLN A 23 -7.449 16.316 -5.385 1.00 0.54 O ATOM 586 CB GLN A 23 -7.838 13.049 -5.073 1.00 0.53 C ATOM 587 CG GLN A 23 -9.127 13.423 -5.778 1.00 0.78 C ATOM 588 CD GLN A 23 -10.259 12.476 -5.438 1.00 1.38 C ATOM 589 OE1 GLN A 23 -10.454 11.457 -6.101 1.00 2.05 O ATOM 590 NE2 GLN A 23 -11.014 12.805 -4.405 1.00 2.06 N ATOM 0 H GLN A 23 -5.583 12.685 -4.139 1.00 0.52 H new ATOM 0 HA GLN A 23 -6.550 14.148 -6.390 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -7.532 12.056 -5.401 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -8.027 12.986 -4.001 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -9.409 14.439 -5.501 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -8.964 13.420 -6.856 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -10.819 13.658 -3.882 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -11.792 12.205 -4.131 1.00 2.06 H new ATOM 599 N ASN A 24 -6.804 15.489 -3.385 1.00 0.58 N ATOM 600 CA ASN A 24 -7.061 16.720 -2.643 1.00 0.65 C ATOM 601 C ASN A 24 -6.018 17.778 -2.970 1.00 0.60 C ATOM 602 O ASN A 24 -6.360 18.900 -3.353 1.00 0.63 O ATOM 603 CB ASN A 24 -7.060 16.458 -1.134 1.00 0.85 C ATOM 604 CG ASN A 24 -8.216 15.591 -0.682 1.00 1.10 C ATOM 605 OD1 ASN A 24 -9.303 15.634 -1.257 1.00 1.84 O ATOM 606 ND2 ASN A 24 -7.987 14.794 0.348 1.00 1.21 N ATOM 0 H ASN A 24 -6.449 14.724 -2.811 1.00 0.58 H new ATOM 0 HA ASN A 24 -8.044 17.083 -2.942 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -6.122 15.977 -0.855 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -7.099 17.411 -0.606 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -8.727 14.183 0.695 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -7.071 14.790 0.796 1.00 1.21 H new ATOM 613 N LEU A 25 -4.747 17.412 -2.807 1.00 0.60 N ATOM 614 CA LEU A 25 -3.638 18.307 -3.086 1.00 0.65 C ATOM 615 C LEU A 25 -3.742 18.857 -4.497 1.00 0.64 C ATOM 616 O LEU A 25 -3.837 18.112 -5.470 1.00 0.64 O ATOM 617 CB LEU A 25 -2.300 17.588 -2.891 1.00 0.76 C ATOM 618 CG LEU A 25 -1.847 17.383 -1.442 1.00 0.59 C ATOM 619 CD1 LEU A 25 -1.499 18.705 -0.814 1.00 0.81 C ATOM 620 CD2 LEU A 25 -2.905 16.698 -0.607 1.00 1.05 C ATOM 0 H LEU A 25 -4.464 16.489 -2.479 1.00 0.60 H new ATOM 0 HA LEU A 25 -3.686 19.139 -2.384 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -2.362 16.612 -3.372 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -1.528 18.152 -3.415 1.00 0.76 H new ATOM 0 HG LEU A 25 -0.968 16.739 -1.469 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -1.179 18.546 0.216 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -0.692 19.174 -1.377 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -2.374 19.355 -0.825 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -2.540 16.574 0.412 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -3.810 17.305 -0.597 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -3.129 15.720 -1.034 1.00 1.05 H new ATOM 632 N SER A 26 -3.697 20.172 -4.588 1.00 0.73 N ATOM 633 CA SER A 26 -3.995 20.853 -5.832 1.00 0.83 C ATOM 634 C SER A 26 -2.749 21.523 -6.406 1.00 1.02 C ATOM 635 O SER A 26 -2.156 21.025 -7.367 1.00 1.78 O ATOM 636 CB SER A 26 -5.103 21.876 -5.595 1.00 0.93 C ATOM 637 OG SER A 26 -6.186 21.291 -4.881 1.00 1.72 O ATOM 0 H SER A 26 -3.456 20.791 -3.814 1.00 0.73 H new ATOM 0 HA SER A 26 -4.335 20.120 -6.564 1.00 0.83 H new ATOM 0 HB2 SER A 26 -4.708 22.724 -5.035 1.00 0.93 H new ATOM 0 HB3 SER A 26 -5.458 22.263 -6.550 1.00 0.93 H new ATOM 0 HG SER A 26 -5.935 20.390 -4.587 1.00 1.72 H new ATOM 643 N ASP A 27 -2.325 22.623 -5.793 1.00 0.96 N ATOM 644 CA ASP A 27 -1.213 23.405 -6.322 1.00 1.11 C ATOM 645 C ASP A 27 -0.296 23.908 -5.204 1.00 1.13 C ATOM 646 O ASP A 27 0.677 23.239 -4.858 1.00 1.95 O ATOM 647 CB ASP A 27 -1.730 24.569 -7.192 1.00 1.42 C ATOM 648 CG ASP A 27 -2.831 25.380 -6.527 1.00 1.84 C ATOM 649 OD1 ASP A 27 -4.001 24.954 -6.576 1.00 2.19 O ATOM 650 OD2 ASP A 27 -2.534 26.458 -5.966 1.00 2.39 O ATOM 0 H ASP A 27 -2.732 22.992 -4.934 1.00 0.96 H new ATOM 0 HA ASP A 27 -0.616 22.749 -6.956 1.00 1.11 H new ATOM 0 HB2 ASP A 27 -0.897 25.230 -7.433 1.00 1.42 H new ATOM 0 HB3 ASP A 27 -2.103 24.170 -8.135 1.00 1.42 H new ATOM 655 N GLY A 28 -0.623 25.058 -4.616 1.00 0.93 N ATOM 656 CA GLY A 28 0.209 25.642 -3.569 1.00 0.87 C ATOM 657 C GLY A 28 0.300 24.765 -2.337 1.00 0.75 C ATOM 658 O GLY A 28 1.150 24.975 -1.471 1.00 0.73 O ATOM 0 H GLY A 28 -1.455 25.601 -4.847 1.00 0.93 H new ATOM 0 HA2 GLY A 28 1.211 25.815 -3.961 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -0.196 26.614 -3.289 1.00 0.87 H new ATOM 662 N ASP A 29 -0.580 23.786 -2.259 1.00 0.70 N ATOM 663 CA ASP A 29 -0.576 22.819 -1.174 1.00 0.67 C ATOM 664 C ASP A 29 0.687 21.970 -1.244 1.00 0.59 C ATOM 665 O ASP A 29 1.294 21.648 -0.230 1.00 0.60 O ATOM 666 CB ASP A 29 -1.799 21.906 -1.283 1.00 0.80 C ATOM 667 CG ASP A 29 -3.044 22.632 -1.742 1.00 1.47 C ATOM 668 OD1 ASP A 29 -3.213 22.824 -2.964 1.00 2.25 O ATOM 669 OD2 ASP A 29 -3.860 23.019 -0.869 1.00 1.74 O ATOM 0 H ASP A 29 -1.319 23.637 -2.946 1.00 0.70 H new ATOM 0 HA ASP A 29 -0.606 23.356 -0.226 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -1.580 21.097 -1.980 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -1.990 21.448 -0.313 1.00 0.80 H new ATOM 674 N LYS A 30 1.094 21.640 -2.462 1.00 0.63 N ATOM 675 CA LYS A 30 2.243 20.772 -2.687 1.00 0.65 C ATOM 676 C LYS A 30 3.544 21.536 -2.482 1.00 0.61 C ATOM 677 O LYS A 30 4.636 20.957 -2.465 1.00 0.65 O ATOM 678 CB LYS A 30 2.178 20.198 -4.095 1.00 0.78 C ATOM 679 CG LYS A 30 0.927 19.376 -4.340 1.00 0.92 C ATOM 680 CD LYS A 30 0.631 19.249 -5.820 1.00 0.89 C ATOM 681 CE LYS A 30 -0.597 18.396 -6.071 1.00 0.96 C ATOM 682 NZ LYS A 30 -1.038 18.483 -7.485 1.00 1.31 N ATOM 0 H LYS A 30 0.641 21.963 -3.317 1.00 0.63 H new ATOM 0 HA LYS A 30 2.216 19.955 -1.966 1.00 0.65 H new ATOM 0 HB2 LYS A 30 2.218 21.014 -4.817 1.00 0.78 H new ATOM 0 HB3 LYS A 30 3.056 19.575 -4.269 1.00 0.78 H new ATOM 0 HG2 LYS A 30 1.051 18.384 -3.906 1.00 0.92 H new ATOM 0 HG3 LYS A 30 0.080 19.841 -3.836 1.00 0.92 H new ATOM 0 HD2 LYS A 30 0.480 20.240 -6.248 1.00 0.89 H new ATOM 0 HD3 LYS A 30 1.490 18.810 -6.327 1.00 0.89 H new ATOM 0 HE2 LYS A 30 -0.378 17.358 -5.820 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -1.406 18.719 -5.416 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -1.538 17.610 -7.747 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -1.677 19.296 -7.600 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 -0.209 18.605 -8.100 1.00 1.31 H new ATOM 696 N THR A 31 3.415 22.844 -2.338 1.00 0.60 N ATOM 697 CA THR A 31 4.529 23.695 -1.969 1.00 0.61 C ATOM 698 C THR A 31 5.017 23.329 -0.583 1.00 0.52 C ATOM 699 O THR A 31 6.210 23.170 -0.338 1.00 0.54 O ATOM 700 CB THR A 31 4.091 25.166 -1.942 1.00 0.68 C ATOM 701 OG1 THR A 31 3.605 25.560 -3.232 1.00 0.80 O ATOM 702 CG2 THR A 31 5.239 26.068 -1.514 1.00 0.76 C ATOM 0 H THR A 31 2.536 23.343 -2.474 1.00 0.60 H new ATOM 0 HA THR A 31 5.322 23.555 -2.704 1.00 0.61 H new ATOM 0 HB THR A 31 3.287 25.270 -1.213 1.00 0.68 H new ATOM 0 HG1 THR A 31 3.327 26.499 -3.204 1.00 0.80 H new ATOM 0 HG21 THR A 31 4.903 27.105 -1.503 1.00 0.76 H new ATOM 0 HG22 THR A 31 5.572 25.784 -0.516 1.00 0.76 H new ATOM 0 HG23 THR A 31 6.066 25.962 -2.216 1.00 0.76 H new ATOM 710 N VAL A 32 4.066 23.169 0.314 1.00 0.50 N ATOM 711 CA VAL A 32 4.370 22.958 1.706 1.00 0.50 C ATOM 712 C VAL A 32 4.852 21.521 1.936 1.00 0.47 C ATOM 713 O VAL A 32 5.694 21.270 2.800 1.00 0.48 O ATOM 714 CB VAL A 32 3.139 23.287 2.575 1.00 0.57 C ATOM 715 CG1 VAL A 32 2.193 22.118 2.647 1.00 0.60 C ATOM 716 CG2 VAL A 32 3.555 23.726 3.956 1.00 0.85 C ATOM 0 H VAL A 32 3.069 23.182 0.097 1.00 0.50 H new ATOM 0 HA VAL A 32 5.177 23.629 2.000 1.00 0.50 H new ATOM 0 HB VAL A 32 2.611 24.114 2.101 1.00 0.57 H new ATOM 0 HG11 VAL A 32 1.336 22.381 3.267 1.00 0.60 H new ATOM 0 HG12 VAL A 32 1.851 21.864 1.644 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.706 21.261 3.083 1.00 0.60 H new ATOM 0 HG21 VAL A 32 2.668 23.952 4.548 1.00 0.85 H new ATOM 0 HG22 VAL A 32 4.119 22.927 4.437 1.00 0.85 H new ATOM 0 HG23 VAL A 32 4.179 24.617 3.882 1.00 0.85 H new ATOM 720 N LEU A 33 4.317 20.585 1.147 1.00 0.48 N ATOM 721 CA LEU A 33 4.759 19.194 1.169 1.00 0.49 C ATOM 722 C LEU A 33 6.269 19.085 0.972 1.00 0.50 C ATOM 723 O LEU A 33 6.965 18.468 1.777 1.00 0.54 O ATOM 724 CB LEU A 33 4.047 18.385 0.070 1.00 0.53 C ATOM 725 CG LEU A 33 2.701 17.744 0.443 1.00 0.58 C ATOM 726 CD1 LEU A 33 2.878 16.733 1.557 1.00 0.98 C ATOM 727 CD2 LEU A 33 1.669 18.784 0.840 1.00 0.74 C ATOM 0 H LEU A 33 3.569 20.772 0.479 1.00 0.48 H new ATOM 0 HA LEU A 33 4.504 18.788 2.148 1.00 0.49 H new ATOM 0 HB2 LEU A 33 3.885 19.042 -0.784 1.00 0.53 H new ATOM 0 HB3 LEU A 33 4.720 17.594 -0.259 1.00 0.53 H new ATOM 0 HG LEU A 33 2.332 17.232 -0.446 1.00 0.58 H new ATOM 0 HD11 LEU A 33 1.913 16.292 1.805 1.00 0.98 H new ATOM 0 HD12 LEU A 33 3.562 15.949 1.232 1.00 0.98 H new ATOM 0 HD13 LEU A 33 3.287 17.229 2.437 1.00 0.98 H new ATOM 0 HD21 LEU A 33 0.733 18.288 1.096 1.00 0.74 H new ATOM 0 HD22 LEU A 33 2.030 19.344 1.702 1.00 0.74 H new ATOM 0 HD23 LEU A 33 1.502 19.467 0.007 1.00 0.74 H new ATOM 739 N LYS A 34 6.776 19.702 -0.092 1.00 0.51 N ATOM 740 CA LYS A 34 8.190 19.577 -0.437 1.00 0.56 C ATOM 741 C LYS A 34 9.085 20.241 0.610 1.00 0.53 C ATOM 742 O LYS A 34 10.252 19.886 0.748 1.00 0.59 O ATOM 743 CB LYS A 34 8.472 20.150 -1.831 1.00 0.65 C ATOM 744 CG LYS A 34 8.088 21.609 -2.005 1.00 0.93 C ATOM 745 CD LYS A 34 8.576 22.165 -3.336 1.00 0.89 C ATOM 746 CE LYS A 34 7.998 21.405 -4.524 1.00 1.70 C ATOM 747 NZ LYS A 34 6.521 21.541 -4.627 1.00 2.41 N ATOM 0 H LYS A 34 6.234 20.289 -0.726 1.00 0.51 H new ATOM 0 HA LYS A 34 8.427 18.513 -0.451 1.00 0.56 H new ATOM 0 HB2 LYS A 34 9.535 20.040 -2.047 1.00 0.65 H new ATOM 0 HB3 LYS A 34 7.934 19.556 -2.569 1.00 0.65 H new ATOM 0 HG2 LYS A 34 7.004 21.710 -1.944 1.00 0.93 H new ATOM 0 HG3 LYS A 34 8.509 22.196 -1.189 1.00 0.93 H new ATOM 0 HD2 LYS A 34 8.301 23.217 -3.411 1.00 0.89 H new ATOM 0 HD3 LYS A 34 9.664 22.117 -3.371 1.00 0.89 H new ATOM 0 HE2 LYS A 34 8.458 21.770 -5.442 1.00 1.70 H new ATOM 0 HE3 LYS A 34 8.257 20.350 -4.436 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 6.180 21.006 -5.451 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 6.077 21.168 -3.764 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 6.272 22.544 -4.739 1.00 2.41 H new ATOM 761 N GLU A 35 8.536 21.193 1.345 1.00 0.47 N ATOM 762 CA GLU A 35 9.272 21.849 2.417 1.00 0.47 C ATOM 763 C GLU A 35 9.441 20.912 3.611 1.00 0.46 C ATOM 764 O GLU A 35 10.439 20.985 4.328 1.00 0.57 O ATOM 765 CB GLU A 35 8.563 23.135 2.833 1.00 0.47 C ATOM 766 CG GLU A 35 8.474 24.158 1.712 1.00 0.61 C ATOM 767 CD GLU A 35 9.830 24.504 1.129 1.00 1.26 C ATOM 768 OE1 GLU A 35 10.558 25.310 1.744 1.00 1.47 O ATOM 769 OE2 GLU A 35 10.175 23.974 0.051 1.00 1.96 O ATOM 0 H GLU A 35 7.582 21.531 1.220 1.00 0.47 H new ATOM 0 HA GLU A 35 10.265 22.105 2.049 1.00 0.47 H new ATOM 0 HB2 GLU A 35 7.557 22.893 3.176 1.00 0.47 H new ATOM 0 HB3 GLU A 35 9.091 23.576 3.678 1.00 0.47 H new ATOM 0 HG2 GLU A 35 7.831 23.770 0.922 1.00 0.61 H new ATOM 0 HG3 GLU A 35 8.003 25.065 2.090 1.00 0.61 H new ATOM 776 N VAL A 36 8.473 20.030 3.809 1.00 0.41 N ATOM 777 CA VAL A 36 8.567 18.996 4.838 1.00 0.42 C ATOM 778 C VAL A 36 9.548 17.912 4.393 1.00 0.50 C ATOM 779 O VAL A 36 10.501 17.569 5.092 1.00 0.62 O ATOM 780 CB VAL A 36 7.178 18.365 5.094 1.00 0.43 C ATOM 781 CG1 VAL A 36 7.274 17.173 6.031 1.00 0.98 C ATOM 782 CG2 VAL A 36 6.216 19.404 5.649 1.00 0.74 C ATOM 0 H VAL A 36 7.608 20.007 3.269 1.00 0.41 H new ATOM 0 HA VAL A 36 8.924 19.452 5.761 1.00 0.42 H new ATOM 0 HB VAL A 36 6.794 18.006 4.139 1.00 0.43 H new ATOM 0 HG11 VAL A 36 6.280 16.754 6.189 1.00 0.98 H new ATOM 0 HG12 VAL A 36 7.922 16.415 5.590 1.00 0.98 H new ATOM 0 HG13 VAL A 36 7.689 17.494 6.987 1.00 0.98 H new ATOM 0 HG21 VAL A 36 5.244 18.943 5.823 1.00 0.74 H new ATOM 0 HG22 VAL A 36 6.606 19.795 6.589 1.00 0.74 H new ATOM 0 HG23 VAL A 36 6.108 20.219 4.933 1.00 0.74 H new ATOM 786 N PHE A 37 9.294 17.405 3.202 1.00 0.49 N ATOM 787 CA PHE A 37 10.111 16.390 2.557 1.00 0.54 C ATOM 788 C PHE A 37 11.579 16.767 2.391 1.00 0.59 C ATOM 789 O PHE A 37 12.452 15.930 2.621 1.00 0.66 O ATOM 790 CB PHE A 37 9.481 16.071 1.212 1.00 0.57 C ATOM 791 CG PHE A 37 8.383 15.064 1.397 1.00 0.57 C ATOM 792 CD1 PHE A 37 8.673 13.710 1.408 1.00 0.66 C ATOM 793 CD2 PHE A 37 7.079 15.467 1.625 1.00 0.74 C ATOM 794 CE1 PHE A 37 7.683 12.778 1.640 1.00 0.68 C ATOM 795 CE2 PHE A 37 6.082 14.539 1.849 1.00 0.83 C ATOM 796 CZ PHE A 37 6.385 13.193 1.859 1.00 0.71 C ATOM 0 H PHE A 37 8.493 17.694 2.640 1.00 0.49 H new ATOM 0 HA PHE A 37 10.127 15.518 3.210 1.00 0.54 H new ATOM 0 HB2 PHE A 37 9.083 16.980 0.761 1.00 0.57 H new ATOM 0 HB3 PHE A 37 10.235 15.680 0.529 1.00 0.57 H new ATOM 0 HD1 PHE A 37 9.686 13.380 1.233 1.00 0.66 H new ATOM 0 HD2 PHE A 37 6.839 16.520 1.628 1.00 0.74 H new ATOM 0 HE1 PHE A 37 7.923 11.725 1.650 1.00 0.68 H new ATOM 0 HE2 PHE A 37 5.066 14.866 2.016 1.00 0.83 H new ATOM 0 HZ PHE A 37 5.608 12.465 2.038 1.00 0.71 H new ATOM 806 N LYS A 38 11.873 18.004 2.002 1.00 0.60 N ATOM 807 CA LYS A 38 13.268 18.391 1.772 1.00 0.69 C ATOM 808 C LYS A 38 13.978 18.702 3.086 1.00 0.78 C ATOM 809 O LYS A 38 15.113 19.181 3.101 1.00 1.02 O ATOM 810 CB LYS A 38 13.375 19.566 0.795 1.00 0.75 C ATOM 811 CG LYS A 38 13.026 19.195 -0.639 1.00 0.76 C ATOM 812 CD LYS A 38 13.171 20.371 -1.604 1.00 0.91 C ATOM 813 CE LYS A 38 12.033 21.379 -1.472 1.00 1.37 C ATOM 814 NZ LYS A 38 12.252 22.360 -0.375 1.00 2.18 N ATOM 0 H LYS A 38 11.187 18.741 1.842 1.00 0.60 H new ATOM 0 HA LYS A 38 13.770 17.539 1.313 1.00 0.69 H new ATOM 0 HB2 LYS A 38 12.713 20.366 1.127 1.00 0.75 H new ATOM 0 HB3 LYS A 38 14.391 19.961 0.823 1.00 0.75 H new ATOM 0 HG2 LYS A 38 13.671 18.380 -0.966 1.00 0.76 H new ATOM 0 HG3 LYS A 38 12.001 18.825 -0.675 1.00 0.76 H new ATOM 0 HD2 LYS A 38 14.120 20.874 -1.419 1.00 0.91 H new ATOM 0 HD3 LYS A 38 13.203 19.996 -2.627 1.00 0.91 H new ATOM 0 HE2 LYS A 38 11.918 21.915 -2.414 1.00 1.37 H new ATOM 0 HE3 LYS A 38 11.100 20.845 -1.294 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 11.708 23.225 -0.569 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 11.937 21.948 0.527 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 13.264 22.593 -0.315 1.00 2.18 H new ATOM 828 N ALA A 39 13.293 18.427 4.182 1.00 0.71 N ATOM 829 CA ALA A 39 13.890 18.461 5.502 1.00 0.87 C ATOM 830 C ALA A 39 14.161 17.039 5.975 1.00 0.82 C ATOM 831 O ALA A 39 15.297 16.563 5.880 1.00 1.56 O ATOM 832 CB ALA A 39 12.992 19.197 6.485 1.00 1.06 C ATOM 0 H ALA A 39 12.305 18.173 4.180 1.00 0.71 H new ATOM 0 HA ALA A 39 14.834 19.003 5.449 1.00 0.87 H new ATOM 0 HB1 ALA A 39 13.462 19.209 7.468 1.00 1.06 H new ATOM 0 HB2 ALA A 39 12.840 20.221 6.143 1.00 1.06 H new ATOM 0 HB3 ALA A 39 12.030 18.689 6.549 1.00 1.06 H new ATOM 838 N GLY A 40 13.117 16.338 6.415 1.00 0.78 N ATOM 839 CA GLY A 40 13.297 15.017 7.004 1.00 1.03 C ATOM 840 C GLY A 40 14.393 14.982 8.061 1.00 1.29 C ATOM 841 O GLY A 40 14.710 16.012 8.664 1.00 1.54 O ATOM 0 H GLY A 40 12.150 16.660 6.375 1.00 0.78 H new ATOM 0 HA2 GLY A 40 12.357 14.694 7.452 1.00 1.03 H new ATOM 0 HA3 GLY A 40 13.537 14.303 6.216 1.00 1.03 H new ATOM 845 N PRO A 41 14.970 13.805 8.343 1.00 1.37 N ATOM 846 CA PRO A 41 14.504 12.522 7.839 1.00 1.22 C ATOM 847 C PRO A 41 13.510 11.879 8.798 1.00 1.09 C ATOM 848 O PRO A 41 13.678 11.931 10.019 1.00 1.18 O ATOM 849 CB PRO A 41 15.789 11.690 7.741 1.00 1.37 C ATOM 850 CG PRO A 41 16.832 12.426 8.537 1.00 1.60 C ATOM 851 CD PRO A 41 16.164 13.625 9.166 1.00 1.68 C ATOM 0 HA PRO A 41 13.977 12.608 6.889 1.00 1.22 H new ATOM 0 HB2 PRO A 41 15.634 10.687 8.138 1.00 1.37 H new ATOM 0 HB3 PRO A 41 16.101 11.577 6.703 1.00 1.37 H new ATOM 0 HG2 PRO A 41 17.256 11.778 9.304 1.00 1.60 H new ATOM 0 HG3 PRO A 41 17.654 12.739 7.894 1.00 1.60 H new ATOM 0 HD2 PRO A 41 15.911 13.444 10.211 1.00 1.68 H new ATOM 0 HD3 PRO A 41 16.807 14.505 9.142 1.00 1.68 H new ATOM 859 N TYR A 42 12.471 11.278 8.237 1.00 0.99 N ATOM 860 CA TYR A 42 11.376 10.757 9.034 1.00 0.92 C ATOM 861 C TYR A 42 11.363 9.238 9.027 1.00 0.97 C ATOM 862 O TYR A 42 11.093 8.601 8.007 1.00 1.08 O ATOM 863 CB TYR A 42 10.047 11.313 8.529 1.00 0.85 C ATOM 864 CG TYR A 42 10.016 12.825 8.502 1.00 0.87 C ATOM 865 CD1 TYR A 42 10.183 13.568 9.663 1.00 0.90 C ATOM 866 CD2 TYR A 42 9.803 13.504 7.313 1.00 0.99 C ATOM 867 CE1 TYR A 42 10.141 14.948 9.635 1.00 1.02 C ATOM 868 CE2 TYR A 42 9.765 14.881 7.276 1.00 1.10 C ATOM 869 CZ TYR A 42 9.979 15.602 8.467 1.00 1.12 C ATOM 870 OH TYR A 42 9.888 16.972 8.404 1.00 1.28 O ATOM 0 H TYR A 42 12.365 11.140 7.232 1.00 0.99 H new ATOM 0 HA TYR A 42 11.521 11.079 10.065 1.00 0.92 H new ATOM 0 HB2 TYR A 42 9.857 10.932 7.525 1.00 0.85 H new ATOM 0 HB3 TYR A 42 9.241 10.949 9.166 1.00 0.85 H new ATOM 0 HD1 TYR A 42 10.348 13.059 10.601 1.00 0.90 H new ATOM 0 HD2 TYR A 42 9.664 12.944 6.400 1.00 0.99 H new ATOM 0 HE1 TYR A 42 10.238 15.507 10.554 1.00 1.02 H new ATOM 0 HE2 TYR A 42 9.574 15.399 6.348 1.00 1.10 H new ATOM 0 HH TYR A 42 9.917 17.259 7.467 1.00 1.28 H new ATOM 880 N LYS A 43 11.649 8.682 10.190 1.00 0.96 N ATOM 881 CA LYS A 43 11.689 7.242 10.398 1.00 1.01 C ATOM 882 C LYS A 43 10.291 6.631 10.403 1.00 0.98 C ATOM 883 O LYS A 43 10.143 5.412 10.296 1.00 1.06 O ATOM 884 CB LYS A 43 12.367 6.946 11.739 1.00 1.10 C ATOM 885 CG LYS A 43 13.756 7.551 11.858 1.00 1.72 C ATOM 886 CD LYS A 43 14.351 7.320 13.237 1.00 2.26 C ATOM 887 CE LYS A 43 15.650 8.090 13.413 1.00 2.94 C ATOM 888 NZ LYS A 43 16.270 7.843 14.741 1.00 3.51 N ATOM 0 H LYS A 43 11.863 9.222 11.028 1.00 0.96 H new ATOM 0 HA LYS A 43 12.250 6.799 9.575 1.00 1.01 H new ATOM 0 HB2 LYS A 43 11.742 7.328 12.546 1.00 1.10 H new ATOM 0 HB3 LYS A 43 12.436 5.866 11.873 1.00 1.10 H new ATOM 0 HG2 LYS A 43 14.409 7.115 11.102 1.00 1.72 H new ATOM 0 HG3 LYS A 43 13.706 8.621 11.658 1.00 1.72 H new ATOM 0 HD2 LYS A 43 13.636 7.628 14.000 1.00 2.26 H new ATOM 0 HD3 LYS A 43 14.534 6.255 13.383 1.00 2.26 H new ATOM 0 HE2 LYS A 43 16.350 7.804 12.628 1.00 2.94 H new ATOM 0 HE3 LYS A 43 15.458 9.156 13.296 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 17.153 8.387 14.819 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 15.614 8.140 15.491 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 16.478 6.829 14.844 1.00 3.51 H new ATOM 902 N ASN A 44 9.264 7.463 10.518 1.00 0.88 N ATOM 903 CA ASN A 44 7.904 6.957 10.672 1.00 0.85 C ATOM 904 C ASN A 44 6.891 7.854 9.971 1.00 0.80 C ATOM 905 O ASN A 44 7.107 9.062 9.829 1.00 0.85 O ATOM 906 CB ASN A 44 7.554 6.856 12.158 1.00 0.89 C ATOM 907 CG ASN A 44 7.753 8.171 12.889 1.00 0.95 C ATOM 908 OD1 ASN A 44 6.850 9.001 12.956 1.00 1.52 O ATOM 909 ND2 ASN A 44 8.944 8.369 13.435 1.00 1.10 N ATOM 0 H ASN A 44 9.343 8.480 10.508 1.00 0.88 H new ATOM 0 HA ASN A 44 7.860 5.970 10.211 1.00 0.85 H new ATOM 0 HB2 ASN A 44 6.517 6.538 12.264 1.00 0.89 H new ATOM 0 HB3 ASN A 44 8.172 6.088 12.623 1.00 0.89 H new ATOM 0 HD21 ASN A 44 9.138 9.237 13.934 1.00 1.10 H new ATOM 0 HD22 ASN A 44 9.667 7.653 13.356 1.00 1.10 H new ATOM 916 N THR A 45 5.784 7.253 9.541 1.00 0.77 N ATOM 917 CA THR A 45 4.682 7.995 8.942 1.00 0.76 C ATOM 918 C THR A 45 3.854 8.681 10.033 1.00 0.74 C ATOM 919 O THR A 45 2.687 8.363 10.261 1.00 0.92 O ATOM 920 CB THR A 45 3.783 7.076 8.083 1.00 0.84 C ATOM 921 OG1 THR A 45 4.586 6.381 7.116 1.00 1.05 O ATOM 922 CG2 THR A 45 2.707 7.875 7.357 1.00 1.18 C ATOM 0 H THR A 45 5.628 6.247 9.598 1.00 0.77 H new ATOM 0 HA THR A 45 5.106 8.754 8.285 1.00 0.76 H new ATOM 0 HB THR A 45 3.296 6.364 8.749 1.00 0.84 H new ATOM 0 HG1 THR A 45 4.014 5.798 6.574 1.00 1.05 H new ATOM 0 HG21 THR A 45 2.092 7.200 6.762 1.00 1.18 H new ATOM 0 HG22 THR A 45 2.081 8.389 8.086 1.00 1.18 H new ATOM 0 HG23 THR A 45 3.178 8.609 6.703 1.00 1.18 H new ATOM 930 N GLU A 46 4.496 9.608 10.717 1.00 0.72 N ATOM 931 CA GLU A 46 3.862 10.411 11.750 1.00 0.71 C ATOM 932 C GLU A 46 4.645 11.700 11.914 1.00 0.66 C ATOM 933 O GLU A 46 4.074 12.781 12.015 1.00 0.65 O ATOM 934 CB GLU A 46 3.818 9.663 13.081 1.00 0.79 C ATOM 935 CG GLU A 46 3.117 10.439 14.179 1.00 1.41 C ATOM 936 CD GLU A 46 3.332 9.833 15.544 1.00 1.82 C ATOM 937 OE1 GLU A 46 2.760 8.760 15.821 1.00 2.12 O ATOM 938 OE2 GLU A 46 4.072 10.434 16.351 1.00 2.24 O ATOM 0 H GLU A 46 5.481 9.829 10.572 1.00 0.72 H new ATOM 0 HA GLU A 46 2.836 10.625 11.451 1.00 0.71 H new ATOM 0 HB2 GLU A 46 3.310 8.709 12.938 1.00 0.79 H new ATOM 0 HB3 GLU A 46 4.836 9.437 13.398 1.00 0.79 H new ATOM 0 HG2 GLU A 46 3.479 11.467 14.181 1.00 1.41 H new ATOM 0 HG3 GLU A 46 2.049 10.478 13.967 1.00 1.41 H new ATOM 945 N GLU A 47 5.962 11.567 11.927 1.00 0.67 N ATOM 946 CA GLU A 47 6.855 12.714 11.968 1.00 0.67 C ATOM 947 C GLU A 47 6.627 13.629 10.766 1.00 0.60 C ATOM 948 O GLU A 47 6.664 14.854 10.890 1.00 0.58 O ATOM 949 CB GLU A 47 8.303 12.229 12.009 1.00 0.73 C ATOM 950 CG GLU A 47 8.699 11.643 13.349 1.00 0.98 C ATOM 951 CD GLU A 47 8.624 12.649 14.479 1.00 1.64 C ATOM 952 OE1 GLU A 47 7.529 12.820 15.057 1.00 2.26 O ATOM 953 OE2 GLU A 47 9.659 13.266 14.798 1.00 2.03 O ATOM 0 H GLU A 47 6.440 10.666 11.910 1.00 0.67 H new ATOM 0 HA GLU A 47 6.644 13.293 12.867 1.00 0.67 H new ATOM 0 HB2 GLU A 47 8.450 11.477 11.233 1.00 0.73 H new ATOM 0 HB3 GLU A 47 8.965 13.062 11.774 1.00 0.73 H new ATOM 0 HG2 GLU A 47 8.048 10.799 13.577 1.00 0.98 H new ATOM 0 HG3 GLU A 47 9.715 11.253 13.283 1.00 0.98 H new ATOM 960 N SER A 48 6.387 13.025 9.607 1.00 0.58 N ATOM 961 CA SER A 48 6.056 13.776 8.404 1.00 0.54 C ATOM 962 C SER A 48 4.713 14.484 8.582 1.00 0.51 C ATOM 963 O SER A 48 4.537 15.631 8.176 1.00 0.49 O ATOM 964 CB SER A 48 5.992 12.822 7.212 1.00 0.57 C ATOM 965 OG SER A 48 7.044 11.874 7.280 1.00 1.19 O ATOM 0 H SER A 48 6.416 12.014 9.476 1.00 0.58 H new ATOM 0 HA SER A 48 6.825 14.527 8.224 1.00 0.54 H new ATOM 0 HB2 SER A 48 5.031 12.308 7.201 1.00 0.57 H new ATOM 0 HB3 SER A 48 6.062 13.387 6.282 1.00 0.57 H new ATOM 0 HG SER A 48 7.903 12.342 7.339 1.00 1.19 H new ATOM 971 N ILE A 49 3.782 13.783 9.218 1.00 0.51 N ATOM 972 CA ILE A 49 2.448 14.305 9.476 1.00 0.49 C ATOM 973 C ILE A 49 2.517 15.478 10.443 1.00 0.49 C ATOM 974 O ILE A 49 1.845 16.492 10.267 1.00 0.47 O ATOM 975 CB ILE A 49 1.547 13.197 10.063 1.00 0.51 C ATOM 976 CG1 ILE A 49 1.421 12.051 9.055 1.00 0.52 C ATOM 977 CG2 ILE A 49 0.177 13.750 10.432 1.00 0.50 C ATOM 978 CD1 ILE A 49 0.557 10.909 9.535 1.00 0.55 C ATOM 0 H ILE A 49 3.932 12.837 9.569 1.00 0.51 H new ATOM 0 HA ILE A 49 2.023 14.649 8.533 1.00 0.49 H new ATOM 0 HB ILE A 49 2.004 12.816 10.976 1.00 0.51 H new ATOM 0 HG12 ILE A 49 1.007 12.441 8.125 1.00 0.52 H new ATOM 0 HG13 ILE A 49 2.416 11.670 8.826 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -0.439 12.951 10.843 1.00 0.50 H new ATOM 0 HG22 ILE A 49 0.291 14.539 11.175 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.303 14.157 9.542 1.00 0.50 H new ATOM 0 HD11 ILE A 49 0.516 10.136 8.767 1.00 0.55 H new ATOM 0 HD12 ILE A 49 0.981 10.491 10.448 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -0.450 11.274 9.736 1.00 0.55 H new ATOM 985 N ALA A 50 3.351 15.312 11.459 1.00 0.52 N ATOM 986 CA ALA A 50 3.626 16.345 12.446 1.00 0.53 C ATOM 987 C ALA A 50 4.126 17.621 11.786 1.00 0.50 C ATOM 988 O ALA A 50 3.623 18.713 12.063 1.00 0.50 O ATOM 989 CB ALA A 50 4.664 15.830 13.424 1.00 0.57 C ATOM 0 H ALA A 50 3.862 14.445 11.623 1.00 0.52 H new ATOM 0 HA ALA A 50 2.700 16.582 12.971 1.00 0.53 H new ATOM 0 HB1 ALA A 50 4.876 16.598 14.168 1.00 0.57 H new ATOM 0 HB2 ALA A 50 4.284 14.938 13.922 1.00 0.57 H new ATOM 0 HB3 ALA A 50 5.579 15.583 12.886 1.00 0.57 H new ATOM 995 N ALA A 51 5.116 17.477 10.912 1.00 0.49 N ATOM 996 CA ALA A 51 5.673 18.614 10.200 1.00 0.48 C ATOM 997 C ALA A 51 4.595 19.294 9.364 1.00 0.45 C ATOM 998 O ALA A 51 4.519 20.521 9.289 1.00 0.47 O ATOM 999 CB ALA A 51 6.823 18.162 9.320 1.00 0.50 C ATOM 0 H ALA A 51 5.548 16.582 10.682 1.00 0.49 H new ATOM 0 HA ALA A 51 6.051 19.335 10.925 1.00 0.48 H new ATOM 0 HB1 ALA A 51 7.235 19.021 8.790 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.599 17.711 9.939 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.463 17.429 8.598 1.00 0.50 H new ATOM 1005 N LEU A 52 3.751 18.470 8.752 1.00 0.42 N ATOM 1006 CA LEU A 52 2.636 18.962 7.954 1.00 0.40 C ATOM 1007 C LEU A 52 1.625 19.693 8.821 1.00 0.39 C ATOM 1008 O LEU A 52 1.128 20.736 8.425 1.00 0.40 O ATOM 1009 CB LEU A 52 1.957 17.816 7.202 1.00 0.40 C ATOM 1010 CG LEU A 52 2.684 17.332 5.950 1.00 0.41 C ATOM 1011 CD1 LEU A 52 2.114 16.000 5.487 1.00 0.45 C ATOM 1012 CD2 LEU A 52 2.563 18.369 4.848 1.00 0.41 C ATOM 0 H LEU A 52 3.820 17.453 8.795 1.00 0.42 H new ATOM 0 HA LEU A 52 3.036 19.667 7.225 1.00 0.40 H new ATOM 0 HB2 LEU A 52 1.844 16.973 7.884 1.00 0.40 H new ATOM 0 HB3 LEU A 52 0.954 18.134 6.919 1.00 0.40 H new ATOM 0 HG LEU A 52 3.738 17.191 6.188 1.00 0.41 H new ATOM 0 HD11 LEU A 52 2.643 15.669 4.593 1.00 0.45 H new ATOM 0 HD12 LEU A 52 2.235 15.258 6.276 1.00 0.45 H new ATOM 0 HD13 LEU A 52 1.055 16.117 5.259 1.00 0.45 H new ATOM 0 HD21 LEU A 52 3.084 18.017 3.958 1.00 0.41 H new ATOM 0 HD22 LEU A 52 1.511 18.529 4.613 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.007 19.307 5.181 1.00 0.41 H new ATOM 1024 N LYS A 53 1.334 19.162 9.999 1.00 0.39 N ATOM 1025 CA LYS A 53 0.397 19.807 10.913 1.00 0.39 C ATOM 1026 C LYS A 53 0.884 21.199 11.306 1.00 0.40 C ATOM 1027 O LYS A 53 0.091 22.133 11.438 1.00 0.45 O ATOM 1028 CB LYS A 53 0.210 18.964 12.174 1.00 0.41 C ATOM 1029 CG LYS A 53 -0.622 17.710 11.970 1.00 0.42 C ATOM 1030 CD LYS A 53 -0.696 16.914 13.260 1.00 0.52 C ATOM 1031 CE LYS A 53 -1.694 15.777 13.166 1.00 0.52 C ATOM 1032 NZ LYS A 53 -1.814 15.051 14.458 1.00 1.22 N ATOM 0 H LYS A 53 1.731 18.289 10.346 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.557 19.900 10.394 1.00 0.39 H new ATOM 0 HB2 LYS A 53 1.191 18.677 12.554 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.262 19.578 12.941 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -1.626 17.980 11.643 1.00 0.42 H new ATOM 0 HG3 LYS A 53 -0.184 17.098 11.181 1.00 0.42 H new ATOM 0 HD2 LYS A 53 0.290 16.513 13.496 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -0.976 17.576 14.080 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -2.669 16.170 12.876 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -1.384 15.083 12.385 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -2.155 14.084 14.283 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -0.884 15.011 14.922 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -2.487 15.549 15.075 1.00 1.22 H new ATOM 1046 N LYS A 54 2.190 21.317 11.492 1.00 0.39 N ATOM 1047 CA LYS A 54 2.808 22.578 11.887 1.00 0.41 C ATOM 1048 C LYS A 54 2.725 23.615 10.766 1.00 0.41 C ATOM 1049 O LYS A 54 2.468 24.795 11.014 1.00 0.47 O ATOM 1050 CB LYS A 54 4.269 22.341 12.275 1.00 0.44 C ATOM 1051 CG LYS A 54 4.986 23.588 12.763 1.00 1.24 C ATOM 1052 CD LYS A 54 6.459 23.322 13.038 1.00 1.63 C ATOM 1053 CE LYS A 54 6.655 22.263 14.114 1.00 2.24 C ATOM 1054 NZ LYS A 54 6.016 22.644 15.402 1.00 3.05 N ATOM 0 H LYS A 54 2.850 20.548 11.375 1.00 0.39 H new ATOM 0 HA LYS A 54 2.262 22.969 12.746 1.00 0.41 H new ATOM 0 HB2 LYS A 54 4.309 21.582 13.056 1.00 0.44 H new ATOM 0 HB3 LYS A 54 4.803 21.940 11.413 1.00 0.44 H new ATOM 0 HG2 LYS A 54 4.892 24.377 12.017 1.00 1.24 H new ATOM 0 HG3 LYS A 54 4.506 23.951 13.672 1.00 1.24 H new ATOM 0 HD2 LYS A 54 6.947 22.999 12.118 1.00 1.63 H new ATOM 0 HD3 LYS A 54 6.943 24.248 13.348 1.00 1.63 H new ATOM 0 HE2 LYS A 54 6.238 21.317 13.770 1.00 2.24 H new ATOM 0 HE3 LYS A 54 7.721 22.102 14.273 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 6.315 21.983 16.147 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 6.304 23.609 15.660 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 4.982 22.607 15.301 1.00 3.05 H new ATOM 1068 N LYS A 55 2.946 23.177 9.539 1.00 0.42 N ATOM 1069 CA LYS A 55 2.892 24.068 8.387 1.00 0.48 C ATOM 1070 C LYS A 55 1.454 24.301 7.925 1.00 0.47 C ATOM 1071 O LYS A 55 1.027 25.442 7.738 1.00 0.58 O ATOM 1072 CB LYS A 55 3.706 23.497 7.240 1.00 0.55 C ATOM 1073 CG LYS A 55 5.171 23.279 7.564 1.00 1.23 C ATOM 1074 CD LYS A 55 5.996 23.371 6.301 1.00 1.16 C ATOM 1075 CE LYS A 55 7.426 22.916 6.505 1.00 1.03 C ATOM 1076 NZ LYS A 55 8.145 23.741 7.513 1.00 1.48 N ATOM 0 H LYS A 55 3.165 22.207 9.312 1.00 0.42 H new ATOM 0 HA LYS A 55 3.313 25.025 8.694 1.00 0.48 H new ATOM 0 HB2 LYS A 55 3.268 22.546 6.936 1.00 0.55 H new ATOM 0 HB3 LYS A 55 3.631 24.170 6.386 1.00 0.55 H new ATOM 0 HG2 LYS A 55 5.508 24.025 8.284 1.00 1.23 H new ATOM 0 HG3 LYS A 55 5.308 22.302 8.028 1.00 1.23 H new ATOM 0 HD2 LYS A 55 5.533 22.763 5.524 1.00 1.16 H new ATOM 0 HD3 LYS A 55 5.994 24.401 5.944 1.00 1.16 H new ATOM 0 HE2 LYS A 55 7.431 21.873 6.823 1.00 1.03 H new ATOM 0 HE3 LYS A 55 7.958 22.962 5.555 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 9.137 23.435 7.568 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 8.107 24.742 7.234 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 7.694 23.624 8.443 1.00 1.48 H new ATOM 1090 N SER A 56 0.715 23.226 7.749 1.00 0.39 N ATOM 1091 CA SER A 56 -0.645 23.303 7.254 1.00 0.39 C ATOM 1092 C SER A 56 -1.521 22.329 8.032 1.00 0.38 C ATOM 1093 O SER A 56 -1.535 21.123 7.764 1.00 0.38 O ATOM 1094 CB SER A 56 -0.675 22.980 5.758 1.00 0.40 C ATOM 1095 OG SER A 56 -1.978 23.144 5.222 1.00 1.16 O ATOM 0 H SER A 56 1.037 22.278 7.944 1.00 0.39 H new ATOM 0 HA SER A 56 -1.029 24.313 7.394 1.00 0.39 H new ATOM 0 HB2 SER A 56 0.023 23.630 5.229 1.00 0.40 H new ATOM 0 HB3 SER A 56 -0.340 21.955 5.598 1.00 0.40 H new ATOM 0 HG SER A 56 -1.921 23.250 4.249 1.00 1.16 H new ATOM 1101 N PRO A 57 -2.258 22.874 9.020 1.00 0.41 N ATOM 1102 CA PRO A 57 -3.108 22.100 9.932 1.00 0.43 C ATOM 1103 C PRO A 57 -3.971 21.074 9.213 1.00 0.44 C ATOM 1104 O PRO A 57 -3.988 19.896 9.560 1.00 0.45 O ATOM 1105 CB PRO A 57 -3.999 23.175 10.554 1.00 0.48 C ATOM 1106 CG PRO A 57 -3.154 24.396 10.564 1.00 0.58 C ATOM 1107 CD PRO A 57 -2.303 24.318 9.328 1.00 0.45 C ATOM 0 HA PRO A 57 -2.517 21.524 10.644 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -4.907 23.325 9.970 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -4.310 22.899 11.562 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -3.768 25.296 10.559 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -2.537 24.436 11.461 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.737 24.889 8.507 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -1.305 24.721 9.503 1.00 0.45 H new ATOM 1115 N GLU A 58 -4.696 21.557 8.206 1.00 0.47 N ATOM 1116 CA GLU A 58 -5.599 20.728 7.423 1.00 0.51 C ATOM 1117 C GLU A 58 -4.861 19.641 6.652 1.00 0.47 C ATOM 1118 O GLU A 58 -5.384 18.543 6.498 1.00 0.47 O ATOM 1119 CB GLU A 58 -6.409 21.596 6.456 1.00 0.65 C ATOM 1120 CG GLU A 58 -7.399 20.817 5.601 1.00 1.44 C ATOM 1121 CD GLU A 58 -8.456 20.102 6.421 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -9.119 20.759 7.250 1.00 2.42 O ATOM 1123 OE2 GLU A 58 -8.612 18.874 6.259 1.00 2.45 O ATOM 0 H GLU A 58 -4.671 22.534 7.913 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.272 20.234 8.123 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -6.953 22.348 7.028 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -5.721 22.130 5.801 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -7.887 21.500 4.906 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -6.856 20.086 5.001 1.00 1.44 H new ATOM 1130 N LEU A 59 -3.649 19.911 6.176 1.00 0.46 N ATOM 1131 CA LEU A 59 -2.975 18.919 5.353 1.00 0.48 C ATOM 1132 C LEU A 59 -2.463 17.789 6.227 1.00 0.43 C ATOM 1133 O LEU A 59 -2.526 16.613 5.864 1.00 0.47 O ATOM 1134 CB LEU A 59 -1.829 19.529 4.547 1.00 0.56 C ATOM 1135 CG LEU A 59 -2.253 20.419 3.375 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -1.039 20.836 2.565 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -3.263 19.702 2.485 1.00 1.42 C ATOM 0 H LEU A 59 -3.131 20.775 6.339 1.00 0.46 H new ATOM 0 HA LEU A 59 -3.700 18.528 4.639 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -1.206 20.117 5.221 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -1.208 18.721 4.161 1.00 0.56 H new ATOM 0 HG LEU A 59 -2.730 21.312 3.780 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -1.355 21.468 1.735 1.00 1.15 H new ATOM 0 HD12 LEU A 59 -0.350 21.391 3.202 1.00 1.15 H new ATOM 0 HD13 LEU A 59 -0.539 19.949 2.176 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -3.549 20.355 1.660 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -2.816 18.790 2.089 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -4.147 19.448 3.070 1.00 1.42 H new ATOM 1149 N GLY A 60 -1.952 18.175 7.396 1.00 0.37 N ATOM 1150 CA GLY A 60 -1.503 17.214 8.379 1.00 0.36 C ATOM 1151 C GLY A 60 -2.649 16.385 8.908 1.00 0.35 C ATOM 1152 O GLY A 60 -2.507 15.186 9.130 1.00 0.36 O ATOM 0 H GLY A 60 -1.842 19.149 7.677 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -0.754 16.559 7.933 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.019 17.736 9.205 1.00 0.36 H new ATOM 1156 N ALA A 61 -3.793 17.025 9.109 1.00 0.37 N ATOM 1157 CA ALA A 61 -5.000 16.318 9.501 1.00 0.42 C ATOM 1158 C ALA A 61 -5.460 15.401 8.374 1.00 0.44 C ATOM 1159 O ALA A 61 -5.898 14.275 8.618 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.096 17.305 9.864 1.00 0.45 C ATOM 0 H ALA A 61 -3.908 18.033 9.006 1.00 0.37 H new ATOM 0 HA ALA A 61 -4.781 15.709 10.378 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -6.994 16.760 10.156 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -5.764 17.928 10.694 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.318 17.936 9.003 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.337 15.896 7.143 1.00 0.45 N ATOM 1167 CA LYS A 62 -5.696 15.148 5.950 1.00 0.50 C ATOM 1168 C LYS A 62 -4.935 13.829 5.890 1.00 0.54 C ATOM 1169 O LYS A 62 -5.539 12.756 5.830 1.00 0.69 O ATOM 1170 CB LYS A 62 -5.380 15.983 4.705 1.00 0.53 C ATOM 1171 CG LYS A 62 -6.193 15.588 3.491 1.00 0.90 C ATOM 1172 CD LYS A 62 -7.596 16.170 3.557 1.00 1.25 C ATOM 1173 CE LYS A 62 -7.595 17.671 3.297 1.00 1.51 C ATOM 1174 NZ LYS A 62 -8.910 18.292 3.603 1.00 2.17 N ATOM 0 H LYS A 62 -4.983 16.833 6.950 1.00 0.45 H new ATOM 0 HA LYS A 62 -6.763 14.930 5.985 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -5.561 17.035 4.927 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -4.320 15.884 4.470 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -5.694 15.936 2.587 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -6.250 14.501 3.426 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -8.231 15.674 2.823 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -8.027 15.971 4.538 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -6.822 18.143 3.903 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -7.340 17.858 2.254 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -8.939 19.255 3.211 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -9.670 17.723 3.179 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -9.043 18.334 4.634 1.00 2.17 H new ATOM 1188 N VAL A 63 -3.609 13.915 5.916 1.00 0.45 N ATOM 1189 CA VAL A 63 -2.765 12.728 5.866 1.00 0.48 C ATOM 1190 C VAL A 63 -2.946 11.872 7.121 1.00 0.46 C ATOM 1191 O VAL A 63 -2.831 10.645 7.072 1.00 0.53 O ATOM 1192 CB VAL A 63 -1.279 13.109 5.688 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -0.790 13.934 6.863 1.00 1.12 C ATOM 1194 CG2 VAL A 63 -0.414 11.872 5.492 1.00 1.12 C ATOM 0 H VAL A 63 -3.096 14.795 5.971 1.00 0.45 H new ATOM 0 HA VAL A 63 -3.075 12.141 5.001 1.00 0.48 H new ATOM 0 HB VAL A 63 -1.194 13.718 4.788 1.00 0.48 H new ATOM 0 HG11 VAL A 63 0.259 14.191 6.716 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.380 14.847 6.937 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -0.897 13.358 7.782 1.00 1.12 H new ATOM 0 HG21 VAL A 63 0.627 12.172 5.369 1.00 1.12 H new ATOM 0 HG22 VAL A 63 -0.505 11.223 6.363 1.00 1.12 H new ATOM 0 HG23 VAL A 63 -0.744 11.334 4.603 1.00 1.12 H new ATOM 1198 N GLU A 64 -3.253 12.521 8.240 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.474 11.812 9.490 1.00 0.42 C ATOM 1200 C GLU A 64 -4.688 10.899 9.391 1.00 0.50 C ATOM 1201 O GLU A 64 -4.563 9.682 9.528 1.00 0.55 O ATOM 1202 CB GLU A 64 -3.660 12.777 10.662 1.00 0.42 C ATOM 1203 CG GLU A 64 -3.959 12.064 11.972 1.00 0.53 C ATOM 1204 CD GLU A 64 -4.193 13.012 13.123 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -5.177 13.777 13.075 1.00 1.66 O ATOM 1206 OE2 GLU A 64 -3.399 12.996 14.085 1.00 1.70 O ATOM 0 H GLU A 64 -3.354 13.534 8.304 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.584 11.210 9.674 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -2.758 13.378 10.778 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -4.474 13.465 10.434 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -4.839 11.434 11.843 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -3.128 11.403 12.217 1.00 0.53 H new ATOM 1213 N LYS A 65 -5.856 11.477 9.128 1.00 0.58 N ATOM 1214 CA LYS A 65 -7.089 10.702 9.130 1.00 0.69 C ATOM 1215 C LYS A 65 -7.037 9.627 8.051 1.00 0.71 C ATOM 1216 O LYS A 65 -7.573 8.531 8.207 1.00 0.76 O ATOM 1217 CB LYS A 65 -8.316 11.622 8.964 1.00 0.84 C ATOM 1218 CG LYS A 65 -8.319 12.505 7.715 1.00 1.92 C ATOM 1219 CD LYS A 65 -8.859 11.774 6.493 1.00 2.40 C ATOM 1220 CE LYS A 65 -8.850 12.658 5.255 1.00 3.23 C ATOM 1221 NZ LYS A 65 -9.788 13.808 5.377 1.00 3.96 N ATOM 0 H LYS A 65 -5.973 12.467 8.913 1.00 0.58 H new ATOM 0 HA LYS A 65 -7.190 10.203 10.094 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -9.213 11.002 8.950 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -8.386 12.265 9.841 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -8.924 13.393 7.901 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -7.304 12.847 7.512 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -8.259 10.883 6.308 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -9.876 11.437 6.691 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -7.840 13.032 5.085 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -9.120 12.062 4.383 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -9.876 14.283 4.456 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -10.721 13.464 5.680 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -9.422 14.481 6.080 1.00 3.96 H new ATOM 1235 N LEU A 66 -6.353 9.956 6.966 1.00 0.72 N ATOM 1236 CA LEU A 66 -6.201 9.057 5.839 1.00 0.80 C ATOM 1237 C LEU A 66 -5.341 7.844 6.192 1.00 0.76 C ATOM 1238 O LEU A 66 -5.710 6.711 5.883 1.00 1.07 O ATOM 1239 CB LEU A 66 -5.592 9.819 4.668 1.00 0.84 C ATOM 1240 CG LEU A 66 -5.164 8.970 3.480 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -6.337 8.715 2.548 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -4.018 9.644 2.756 1.00 1.37 C ATOM 0 H LEU A 66 -5.888 10.856 6.845 1.00 0.72 H new ATOM 0 HA LEU A 66 -7.187 8.682 5.563 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -6.316 10.556 4.322 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -4.724 10.370 5.029 1.00 0.84 H new ATOM 0 HG LEU A 66 -4.820 8.001 3.841 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -6.007 8.106 1.706 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -7.124 8.190 3.089 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -6.722 9.666 2.179 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -3.715 9.033 1.906 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -4.337 10.624 2.402 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -3.176 9.761 3.438 1.00 1.37 H new ATOM 1254 N HIS A 67 -4.218 8.069 6.858 1.00 0.52 N ATOM 1255 CA HIS A 67 -3.305 6.968 7.152 1.00 0.55 C ATOM 1256 C HIS A 67 -3.825 6.200 8.356 1.00 0.44 C ATOM 1257 O HIS A 67 -3.450 5.055 8.594 1.00 0.45 O ATOM 1258 CB HIS A 67 -1.853 7.453 7.357 1.00 0.67 C ATOM 1259 CG HIS A 67 -1.439 7.665 8.782 1.00 0.94 C ATOM 1260 ND1 HIS A 67 -0.472 6.908 9.409 1.00 1.62 N ATOM 1261 CD2 HIS A 67 -1.848 8.570 9.691 1.00 1.85 C ATOM 1262 CE1 HIS A 67 -0.304 7.345 10.641 1.00 2.13 C ATOM 1263 NE2 HIS A 67 -1.128 8.355 10.837 1.00 2.34 N ATOM 0 H HIS A 67 -3.919 8.982 7.200 1.00 0.52 H new ATOM 0 HA HIS A 67 -3.273 6.299 6.292 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -1.178 6.726 6.905 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -1.721 8.390 6.815 1.00 0.67 H new ATOM 0 HD2 HIS A 67 -2.605 9.327 9.544 1.00 1.85 H new ATOM 0 HE1 HIS A 67 0.390 6.944 11.365 1.00 2.13 H new ATOM 0 HE2 HIS A 67 -1.215 8.890 11.701 1.00 2.34 H new ATOM 1272 N ALA A 68 -4.696 6.857 9.105 1.00 0.39 N ATOM 1273 CA ALA A 68 -5.394 6.236 10.214 1.00 0.36 C ATOM 1274 C ALA A 68 -6.275 5.094 9.719 1.00 0.34 C ATOM 1275 O ALA A 68 -6.253 3.994 10.274 1.00 0.37 O ATOM 1276 CB ALA A 68 -6.220 7.286 10.930 1.00 0.40 C ATOM 0 H ALA A 68 -4.938 7.837 8.959 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.669 5.816 10.911 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -6.748 6.826 11.765 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -5.564 8.072 11.304 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -6.943 7.716 10.236 1.00 0.40 H new ATOM 1282 N MET A 69 -7.036 5.362 8.655 1.00 0.33 N ATOM 1283 CA MET A 69 -7.859 4.336 8.018 1.00 0.37 C ATOM 1284 C MET A 69 -6.974 3.198 7.536 1.00 0.37 C ATOM 1285 O MET A 69 -7.272 2.024 7.740 1.00 0.42 O ATOM 1286 CB MET A 69 -8.620 4.904 6.818 1.00 0.46 C ATOM 1287 CG MET A 69 -9.432 6.152 7.112 1.00 0.44 C ATOM 1288 SD MET A 69 -10.318 6.750 5.658 1.00 0.72 S ATOM 1289 CE MET A 69 -8.995 6.765 4.446 1.00 0.55 C ATOM 0 H MET A 69 -7.098 6.281 8.218 1.00 0.33 H new ATOM 0 HA MET A 69 -8.577 3.976 8.755 1.00 0.37 H new ATOM 0 HB2 MET A 69 -7.905 5.131 6.027 1.00 0.46 H new ATOM 0 HB3 MET A 69 -9.289 4.135 6.433 1.00 0.46 H new ATOM 0 HG2 MET A 69 -10.146 5.939 7.908 1.00 0.44 H new ATOM 0 HG3 MET A 69 -8.770 6.936 7.479 1.00 0.44 H new ATOM 0 HE1 MET A 69 -9.250 7.450 3.638 1.00 0.55 H new ATOM 0 HE2 MET A 69 -8.070 7.092 4.921 1.00 0.55 H new ATOM 0 HE3 MET A 69 -8.860 5.762 4.042 1.00 0.55 H new ATOM 1299 N VAL A 70 -5.876 3.574 6.896 1.00 0.36 N ATOM 1300 CA VAL A 70 -4.892 2.632 6.406 1.00 0.39 C ATOM 1301 C VAL A 70 -4.386 1.746 7.542 1.00 0.38 C ATOM 1302 O VAL A 70 -4.207 0.537 7.377 1.00 0.38 O ATOM 1303 CB VAL A 70 -3.721 3.397 5.766 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -2.666 2.450 5.234 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -4.237 4.303 4.659 1.00 0.70 C ATOM 0 H VAL A 70 -5.646 4.549 6.703 1.00 0.36 H new ATOM 0 HA VAL A 70 -5.357 1.993 5.656 1.00 0.39 H new ATOM 0 HB VAL A 70 -3.252 4.009 6.536 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -1.853 3.024 4.789 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -2.276 1.843 6.051 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -3.108 1.800 4.479 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -3.402 4.841 4.211 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -4.732 3.701 3.897 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -4.948 5.017 5.075 1.00 0.70 H new ATOM 1309 N LYS A 71 -4.185 2.353 8.702 1.00 0.40 N ATOM 1310 CA LYS A 71 -3.751 1.618 9.878 1.00 0.43 C ATOM 1311 C LYS A 71 -4.822 0.658 10.372 1.00 0.44 C ATOM 1312 O LYS A 71 -4.499 -0.382 10.919 1.00 0.45 O ATOM 1313 CB LYS A 71 -3.356 2.559 11.011 1.00 0.48 C ATOM 1314 CG LYS A 71 -1.951 3.119 10.879 1.00 1.22 C ATOM 1315 CD LYS A 71 -1.406 3.562 12.227 1.00 1.30 C ATOM 1316 CE LYS A 71 -1.217 2.375 13.169 1.00 0.75 C ATOM 1317 NZ LYS A 71 -0.800 2.802 14.528 1.00 1.47 N ATOM 0 H LYS A 71 -4.316 3.353 8.853 1.00 0.40 H new ATOM 0 HA LYS A 71 -2.878 1.041 9.574 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -4.065 3.386 11.048 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -3.438 2.026 11.959 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -1.294 2.363 10.449 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -1.957 3.964 10.191 1.00 1.22 H new ATOM 0 HD2 LYS A 71 -0.453 4.072 12.086 1.00 1.30 H new ATOM 0 HD3 LYS A 71 -2.089 4.282 12.679 1.00 1.30 H new ATOM 0 HE2 LYS A 71 -2.149 1.814 13.236 1.00 0.75 H new ATOM 0 HE3 LYS A 71 -0.467 1.700 12.755 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 -0.683 1.965 15.134 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 0.103 3.315 14.469 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 -1.527 3.425 14.934 1.00 1.47 H new ATOM 1331 N SER A 72 -6.092 1.009 10.191 1.00 0.45 N ATOM 1332 CA SER A 72 -7.191 0.142 10.616 1.00 0.49 C ATOM 1333 C SER A 72 -7.055 -1.249 9.993 1.00 0.45 C ATOM 1334 O SER A 72 -7.252 -2.266 10.661 1.00 0.49 O ATOM 1335 CB SER A 72 -8.536 0.758 10.231 1.00 0.56 C ATOM 1336 OG SER A 72 -8.688 2.047 10.799 1.00 1.26 O ATOM 0 H SER A 72 -6.387 1.883 9.755 1.00 0.45 H new ATOM 0 HA SER A 72 -7.146 0.043 11.701 1.00 0.49 H new ATOM 0 HB2 SER A 72 -8.612 0.824 9.146 1.00 0.56 H new ATOM 0 HB3 SER A 72 -9.346 0.111 10.568 1.00 0.56 H new ATOM 0 HG SER A 72 -9.555 2.420 10.536 1.00 1.26 H new ATOM 1342 N LYS A 73 -6.692 -1.276 8.720 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.489 -2.528 8.004 1.00 0.38 C ATOM 1344 C LYS A 73 -5.225 -3.218 8.500 1.00 0.33 C ATOM 1345 O LYS A 73 -5.225 -4.420 8.735 1.00 0.38 O ATOM 1346 CB LYS A 73 -6.377 -2.315 6.488 1.00 0.44 C ATOM 1347 CG LYS A 73 -6.731 -0.920 5.989 1.00 0.62 C ATOM 1348 CD LYS A 73 -8.228 -0.670 5.967 1.00 0.78 C ATOM 1349 CE LYS A 73 -8.538 0.669 5.329 1.00 0.88 C ATOM 1350 NZ LYS A 73 -9.994 0.940 5.251 1.00 1.54 N ATOM 0 H LYS A 73 -6.531 -0.440 8.158 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.362 -3.151 8.199 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -5.356 -2.542 6.182 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -7.026 -3.035 5.990 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -6.252 -0.178 6.627 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -6.329 -0.784 4.985 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -8.727 -1.466 5.414 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -8.621 -0.694 6.984 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -8.055 1.461 5.902 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -8.113 0.696 4.326 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -10.150 1.888 4.854 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -10.447 0.230 4.641 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -10.408 0.892 6.204 1.00 1.54 H new ATOM 1364 N ILE A 74 -4.161 -2.452 8.680 1.00 0.28 N ATOM 1365 CA ILE A 74 -2.884 -3.001 9.125 1.00 0.28 C ATOM 1366 C ILE A 74 -2.959 -3.440 10.590 1.00 0.28 C ATOM 1367 O ILE A 74 -2.196 -4.294 11.044 1.00 0.30 O ATOM 1368 CB ILE A 74 -1.756 -1.969 8.905 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -1.668 -1.663 7.412 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.422 -2.483 9.428 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -0.642 -0.621 7.040 1.00 0.32 C ATOM 0 H ILE A 74 -4.154 -1.444 8.525 1.00 0.28 H new ATOM 0 HA ILE A 74 -2.658 -3.886 8.530 1.00 0.28 H new ATOM 0 HB ILE A 74 -1.986 -1.060 9.460 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.438 -2.586 6.879 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -2.646 -1.330 7.065 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.349 -1.732 9.257 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.503 -2.684 10.496 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.156 -3.402 8.905 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -0.652 -0.470 5.961 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -0.879 0.318 7.540 1.00 0.32 H new ATOM 0 HD13 ILE A 74 0.347 -0.957 7.351 1.00 0.32 H new ATOM 1378 N ALA A 75 -3.924 -2.886 11.305 1.00 0.31 N ATOM 1379 CA ALA A 75 -4.148 -3.231 12.703 1.00 0.32 C ATOM 1380 C ALA A 75 -4.900 -4.544 12.787 1.00 0.32 C ATOM 1381 O ALA A 75 -4.717 -5.337 13.710 1.00 0.35 O ATOM 1382 CB ALA A 75 -4.944 -2.143 13.404 1.00 0.34 C ATOM 0 H ALA A 75 -4.572 -2.189 10.938 1.00 0.31 H new ATOM 0 HA ALA A 75 -3.181 -3.327 13.197 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -5.100 -2.421 14.446 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -4.395 -1.203 13.357 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -5.909 -2.024 12.912 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.750 -4.754 11.797 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.550 -5.961 11.687 1.00 0.32 C ATOM 1390 C ALA A 76 -5.800 -7.023 10.888 1.00 0.34 C ATOM 1391 O ALA A 76 -6.290 -8.134 10.684 1.00 0.49 O ATOM 1392 CB ALA A 76 -7.874 -5.624 11.015 1.00 0.35 C ATOM 0 H ALA A 76 -5.905 -4.087 11.041 1.00 0.31 H new ATOM 0 HA ALA A 76 -6.743 -6.360 12.683 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.479 -6.527 10.930 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -8.408 -4.885 11.613 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.685 -5.219 10.021 1.00 0.35 H new ATOM 1398 N LEU A 77 -4.601 -6.669 10.461 1.00 0.34 N ATOM 1399 CA LEU A 77 -3.791 -7.524 9.611 1.00 0.31 C ATOM 1400 C LEU A 77 -2.860 -8.369 10.467 1.00 0.32 C ATOM 1401 O LEU A 77 -2.222 -7.860 11.390 1.00 0.33 O ATOM 1402 CB LEU A 77 -2.993 -6.641 8.650 1.00 0.30 C ATOM 1403 CG LEU A 77 -2.476 -7.305 7.375 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -3.563 -8.145 6.732 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -2.014 -6.234 6.405 1.00 0.58 C ATOM 0 H LEU A 77 -4.161 -5.779 10.694 1.00 0.34 H new ATOM 0 HA LEU A 77 -4.427 -8.198 9.037 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -3.620 -5.797 8.363 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.139 -6.234 9.192 1.00 0.30 H new ATOM 0 HG LEU A 77 -1.641 -7.958 7.629 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -3.175 -8.610 5.825 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -3.884 -8.920 7.428 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -4.412 -7.510 6.480 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -1.644 -6.704 5.494 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -2.850 -5.578 6.162 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -1.215 -5.649 6.862 1.00 0.58 H new ATOM 1417 N GLY A 78 -2.805 -9.663 10.174 1.00 0.36 N ATOM 1418 CA GLY A 78 -1.950 -10.563 10.924 1.00 0.42 C ATOM 1419 C GLY A 78 -0.482 -10.267 10.696 1.00 0.46 C ATOM 1420 O GLY A 78 -0.134 -9.656 9.689 1.00 0.76 O ATOM 0 H GLY A 78 -3.340 -10.106 9.427 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -2.177 -10.478 11.987 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -2.162 -11.592 10.634 1.00 0.42 H new ATOM 1424 N PRO A 79 0.402 -10.697 11.613 1.00 0.66 N ATOM 1425 CA PRO A 79 1.845 -10.401 11.557 1.00 0.86 C ATOM 1426 C PRO A 79 2.474 -10.651 10.184 1.00 0.60 C ATOM 1427 O PRO A 79 3.377 -9.921 9.766 1.00 0.64 O ATOM 1428 CB PRO A 79 2.433 -11.359 12.590 1.00 1.32 C ATOM 1429 CG PRO A 79 1.341 -11.541 13.584 1.00 1.56 C ATOM 1430 CD PRO A 79 0.061 -11.513 12.795 1.00 1.10 C ATOM 0 HA PRO A 79 2.039 -9.346 11.751 1.00 0.86 H new ATOM 0 HB2 PRO A 79 2.720 -12.307 12.136 1.00 1.32 H new ATOM 0 HB3 PRO A 79 3.328 -10.944 13.053 1.00 1.32 H new ATOM 0 HG2 PRO A 79 1.451 -12.485 14.118 1.00 1.56 H new ATOM 0 HG3 PRO A 79 1.357 -10.748 14.332 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.258 -12.516 12.512 1.00 1.10 H new ATOM 0 HD3 PRO A 79 -0.754 -11.069 13.367 1.00 1.10 H new ATOM 1438 N GLU A 80 1.992 -11.673 9.488 1.00 0.51 N ATOM 1439 CA GLU A 80 2.527 -12.028 8.184 1.00 0.49 C ATOM 1440 C GLU A 80 2.253 -10.920 7.187 1.00 0.42 C ATOM 1441 O GLU A 80 3.170 -10.386 6.563 1.00 0.49 O ATOM 1442 CB GLU A 80 1.910 -13.333 7.670 1.00 0.70 C ATOM 1443 CG GLU A 80 2.326 -14.580 8.435 1.00 1.25 C ATOM 1444 CD GLU A 80 1.877 -14.570 9.881 1.00 1.79 C ATOM 1445 OE1 GLU A 80 0.659 -14.651 10.127 1.00 2.52 O ATOM 1446 OE2 GLU A 80 2.739 -14.468 10.777 1.00 2.19 O ATOM 0 H GLU A 80 1.230 -12.271 9.808 1.00 0.51 H new ATOM 0 HA GLU A 80 3.603 -12.168 8.293 1.00 0.49 H new ATOM 0 HB2 GLU A 80 0.824 -13.245 7.709 1.00 0.70 H new ATOM 0 HB3 GLU A 80 2.182 -13.459 6.622 1.00 0.70 H new ATOM 0 HG2 GLU A 80 1.912 -15.458 7.939 1.00 1.25 H new ATOM 0 HG3 GLU A 80 3.411 -14.675 8.399 1.00 1.25 H new ATOM 1453 N ALA A 81 0.987 -10.561 7.065 1.00 0.36 N ATOM 1454 CA ALA A 81 0.582 -9.586 6.066 1.00 0.34 C ATOM 1455 C ALA A 81 0.860 -8.162 6.541 1.00 0.31 C ATOM 1456 O ALA A 81 1.117 -7.269 5.733 1.00 0.32 O ATOM 1457 CB ALA A 81 -0.877 -9.777 5.696 1.00 0.36 C ATOM 0 H ALA A 81 0.227 -10.926 7.639 1.00 0.36 H new ATOM 0 HA ALA A 81 1.178 -9.748 5.168 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -1.162 -9.038 4.947 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -1.022 -10.779 5.291 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.497 -9.652 6.584 1.00 0.36 H new ATOM 1463 N LYS A 82 0.813 -7.967 7.857 1.00 0.31 N ATOM 1464 CA LYS A 82 1.088 -6.668 8.469 1.00 0.33 C ATOM 1465 C LYS A 82 2.466 -6.157 8.070 1.00 0.33 C ATOM 1466 O LYS A 82 2.620 -4.993 7.695 1.00 0.32 O ATOM 1467 CB LYS A 82 1.003 -6.765 9.996 1.00 0.41 C ATOM 1468 CG LYS A 82 1.231 -5.435 10.700 1.00 0.60 C ATOM 1469 CD LYS A 82 1.265 -5.582 12.214 1.00 0.86 C ATOM 1470 CE LYS A 82 -0.066 -6.053 12.772 1.00 1.33 C ATOM 1471 NZ LYS A 82 -0.057 -6.107 14.257 1.00 2.04 N ATOM 0 H LYS A 82 0.584 -8.701 8.527 1.00 0.31 H new ATOM 0 HA LYS A 82 0.335 -5.966 8.109 1.00 0.33 H new ATOM 0 HB2 LYS A 82 0.022 -7.151 10.274 1.00 0.41 H new ATOM 0 HB3 LYS A 82 1.741 -7.485 10.349 1.00 0.41 H new ATOM 0 HG2 LYS A 82 2.171 -5.002 10.358 1.00 0.60 H new ATOM 0 HG3 LYS A 82 0.439 -4.739 10.422 1.00 0.60 H new ATOM 0 HD2 LYS A 82 2.045 -6.291 12.492 1.00 0.86 H new ATOM 0 HD3 LYS A 82 1.528 -4.625 12.665 1.00 0.86 H new ATOM 0 HE2 LYS A 82 -0.857 -5.382 12.438 1.00 1.33 H new ATOM 0 HE3 LYS A 82 -0.297 -7.041 12.374 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 -0.984 -6.433 14.598 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 0.681 -6.767 14.576 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 0.138 -5.159 14.638 1.00 2.04 H new ATOM 1485 N GLY A 83 3.459 -7.037 8.141 1.00 0.37 N ATOM 1486 CA GLY A 83 4.813 -6.657 7.793 1.00 0.41 C ATOM 1487 C GLY A 83 4.918 -6.192 6.357 1.00 0.39 C ATOM 1488 O GLY A 83 5.586 -5.200 6.060 1.00 0.41 O ATOM 0 H GLY A 83 3.349 -8.008 8.434 1.00 0.37 H new ATOM 0 HA2 GLY A 83 5.149 -5.861 8.458 1.00 0.41 H new ATOM 0 HA3 GLY A 83 5.480 -7.505 7.949 1.00 0.41 H new ATOM 1492 N PHE A 84 4.241 -6.906 5.468 1.00 0.37 N ATOM 1493 CA PHE A 84 4.211 -6.547 4.059 1.00 0.37 C ATOM 1494 C PHE A 84 3.488 -5.222 3.845 1.00 0.34 C ATOM 1495 O PHE A 84 3.961 -4.368 3.098 1.00 0.37 O ATOM 1496 CB PHE A 84 3.538 -7.654 3.242 1.00 0.39 C ATOM 1497 CG PHE A 84 3.101 -7.214 1.873 1.00 0.74 C ATOM 1498 CD1 PHE A 84 4.031 -6.768 0.949 1.00 0.71 C ATOM 1499 CD2 PHE A 84 1.769 -7.263 1.504 1.00 1.22 C ATOM 1500 CE1 PHE A 84 3.639 -6.380 -0.317 1.00 1.13 C ATOM 1501 CE2 PHE A 84 1.372 -6.874 0.242 1.00 1.65 C ATOM 1502 CZ PHE A 84 2.283 -6.372 -0.643 1.00 1.59 C ATOM 0 H PHE A 84 3.703 -7.741 5.700 1.00 0.37 H new ATOM 0 HA PHE A 84 5.240 -6.431 3.719 1.00 0.37 H new ATOM 0 HB2 PHE A 84 4.229 -8.491 3.142 1.00 0.39 H new ATOM 0 HB3 PHE A 84 2.670 -8.021 3.790 1.00 0.39 H new ATOM 0 HD1 PHE A 84 5.075 -6.723 1.222 1.00 0.71 H new ATOM 0 HD2 PHE A 84 1.031 -7.610 2.212 1.00 1.22 H new ATOM 0 HE1 PHE A 84 4.377 -6.085 -1.049 1.00 1.13 H new ATOM 0 HE2 PHE A 84 0.336 -6.967 -0.048 1.00 1.65 H new ATOM 0 HZ PHE A 84 1.955 -5.971 -1.591 1.00 1.59 H new ATOM 1512 N ALA A 85 2.350 -5.058 4.506 1.00 0.30 N ATOM 1513 CA ALA A 85 1.537 -3.856 4.355 1.00 0.30 C ATOM 1514 C ALA A 85 2.338 -2.600 4.671 1.00 0.32 C ATOM 1515 O ALA A 85 2.310 -1.630 3.918 1.00 0.41 O ATOM 1516 CB ALA A 85 0.312 -3.931 5.247 1.00 0.28 C ATOM 0 H ALA A 85 1.967 -5.745 5.155 1.00 0.30 H new ATOM 0 HA ALA A 85 1.218 -3.800 3.314 1.00 0.30 H new ATOM 0 HB1 ALA A 85 -0.284 -3.027 5.123 1.00 0.28 H new ATOM 0 HB2 ALA A 85 -0.285 -4.800 4.972 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.624 -4.020 6.287 1.00 0.28 H new ATOM 1522 N GLU A 86 3.075 -2.632 5.772 1.00 0.31 N ATOM 1523 CA GLU A 86 3.852 -1.472 6.183 1.00 0.37 C ATOM 1524 C GLU A 86 5.057 -1.277 5.268 1.00 0.44 C ATOM 1525 O GLU A 86 5.444 -0.149 4.967 1.00 0.70 O ATOM 1526 CB GLU A 86 4.301 -1.594 7.640 1.00 0.43 C ATOM 1527 CG GLU A 86 3.146 -1.756 8.615 1.00 0.55 C ATOM 1528 CD GLU A 86 3.534 -1.422 10.041 1.00 0.95 C ATOM 1529 OE1 GLU A 86 4.285 -2.212 10.656 1.00 1.11 O ATOM 1530 OE2 GLU A 86 3.095 -0.372 10.557 1.00 1.96 O ATOM 0 H GLU A 86 3.151 -3.439 6.391 1.00 0.31 H new ATOM 0 HA GLU A 86 3.209 -0.596 6.101 1.00 0.37 H new ATOM 0 HB2 GLU A 86 4.971 -2.449 7.736 1.00 0.43 H new ATOM 0 HB3 GLU A 86 4.875 -0.708 7.911 1.00 0.43 H new ATOM 0 HG2 GLU A 86 2.322 -1.112 8.307 1.00 0.55 H new ATOM 0 HG3 GLU A 86 2.781 -2.782 8.573 1.00 0.55 H new ATOM 1537 N LYS A 87 5.636 -2.385 4.814 1.00 0.41 N ATOM 1538 CA LYS A 87 6.782 -2.333 3.925 1.00 0.49 C ATOM 1539 C LYS A 87 6.383 -1.740 2.577 1.00 0.49 C ATOM 1540 O LYS A 87 7.019 -0.805 2.085 1.00 0.57 O ATOM 1541 CB LYS A 87 7.369 -3.736 3.734 1.00 0.57 C ATOM 1542 CG LYS A 87 8.745 -3.728 3.102 1.00 0.69 C ATOM 1543 CD LYS A 87 9.446 -5.068 3.262 1.00 1.25 C ATOM 1544 CE LYS A 87 9.825 -5.337 4.711 1.00 1.75 C ATOM 1545 NZ LYS A 87 10.458 -6.671 4.883 1.00 2.12 N ATOM 0 H LYS A 87 5.327 -3.328 5.050 1.00 0.41 H new ATOM 0 HA LYS A 87 7.542 -1.694 4.375 1.00 0.49 H new ATOM 0 HB2 LYS A 87 7.424 -4.234 4.702 1.00 0.57 H new ATOM 0 HB3 LYS A 87 6.694 -4.323 3.111 1.00 0.57 H new ATOM 0 HG2 LYS A 87 8.657 -3.488 2.042 1.00 0.69 H new ATOM 0 HG3 LYS A 87 9.350 -2.944 3.558 1.00 0.69 H new ATOM 0 HD2 LYS A 87 8.794 -5.864 2.903 1.00 1.25 H new ATOM 0 HD3 LYS A 87 10.343 -5.086 2.642 1.00 1.25 H new ATOM 0 HE2 LYS A 87 10.511 -4.563 5.056 1.00 1.75 H new ATOM 0 HE3 LYS A 87 8.934 -5.275 5.336 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 10.700 -6.814 5.884 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 9.795 -7.412 4.578 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 11.322 -6.722 4.307 1.00 2.12 H new ATOM 1559 N SER A 88 5.311 -2.274 2.000 1.00 0.46 N ATOM 1560 CA SER A 88 4.843 -1.850 0.688 1.00 0.51 C ATOM 1561 C SER A 88 4.322 -0.416 0.717 1.00 0.51 C ATOM 1562 O SER A 88 4.550 0.352 -0.221 1.00 0.57 O ATOM 1563 CB SER A 88 3.752 -2.798 0.185 1.00 0.56 C ATOM 1564 OG SER A 88 2.707 -2.927 1.134 1.00 0.48 O ATOM 0 H SER A 88 4.746 -3.008 2.427 1.00 0.46 H new ATOM 0 HA SER A 88 5.691 -1.884 0.004 1.00 0.51 H new ATOM 0 HB2 SER A 88 3.348 -2.425 -0.756 1.00 0.56 H new ATOM 0 HB3 SER A 88 4.184 -3.778 -0.020 1.00 0.56 H new ATOM 0 HG SER A 88 2.997 -3.516 1.862 1.00 0.48 H new ATOM 1570 N ILE A 89 3.630 -0.061 1.797 1.00 0.50 N ATOM 1571 CA ILE A 89 3.068 1.276 1.944 1.00 0.56 C ATOM 1572 C ILE A 89 4.153 2.346 1.839 1.00 0.55 C ATOM 1573 O ILE A 89 3.946 3.379 1.205 1.00 0.59 O ATOM 1574 CB ILE A 89 2.269 1.412 3.274 1.00 0.63 C ATOM 1575 CG1 ILE A 89 0.761 1.425 2.992 1.00 0.83 C ATOM 1576 CG2 ILE A 89 2.667 2.656 4.062 1.00 0.79 C ATOM 1577 CD1 ILE A 89 0.243 0.168 2.323 1.00 1.09 C ATOM 0 H ILE A 89 3.446 -0.683 2.584 1.00 0.50 H new ATOM 0 HA ILE A 89 2.368 1.431 1.123 1.00 0.56 H new ATOM 0 HB ILE A 89 2.515 0.545 3.887 1.00 0.63 H new ATOM 0 HG12 ILE A 89 0.228 1.569 3.932 1.00 0.83 H new ATOM 0 HG13 ILE A 89 0.528 2.282 2.360 1.00 0.83 H new ATOM 0 HG21 ILE A 89 2.083 2.707 4.981 1.00 0.79 H new ATOM 0 HG22 ILE A 89 3.728 2.607 4.309 1.00 0.79 H new ATOM 0 HG23 ILE A 89 2.475 3.545 3.460 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -0.831 0.259 2.159 1.00 1.09 H new ATOM 0 HD12 ILE A 89 0.746 0.032 1.366 1.00 1.09 H new ATOM 0 HD13 ILE A 89 0.441 -0.692 2.962 1.00 1.09 H new ATOM 1584 N GLU A 90 5.318 2.085 2.422 1.00 0.53 N ATOM 1585 CA GLU A 90 6.409 3.051 2.392 1.00 0.60 C ATOM 1586 C GLU A 90 7.027 3.138 0.998 1.00 0.56 C ATOM 1587 O GLU A 90 7.515 4.190 0.593 1.00 0.63 O ATOM 1588 CB GLU A 90 7.486 2.684 3.407 1.00 0.69 C ATOM 1589 CG GLU A 90 6.995 2.634 4.842 1.00 1.28 C ATOM 1590 CD GLU A 90 8.117 2.361 5.821 1.00 2.08 C ATOM 1591 OE1 GLU A 90 8.912 1.430 5.578 1.00 2.82 O ATOM 1592 OE2 GLU A 90 8.210 3.078 6.842 1.00 2.41 O ATOM 0 H GLU A 90 5.530 1.219 2.918 1.00 0.53 H new ATOM 0 HA GLU A 90 5.992 4.024 2.652 1.00 0.60 H new ATOM 0 HB2 GLU A 90 7.903 1.712 3.143 1.00 0.69 H new ATOM 0 HB3 GLU A 90 8.298 3.408 3.337 1.00 0.69 H new ATOM 0 HG2 GLU A 90 6.518 3.581 5.094 1.00 1.28 H new ATOM 0 HG3 GLU A 90 6.235 1.858 4.937 1.00 1.28 H new ATOM 1599 N ILE A 91 6.998 2.032 0.266 1.00 0.47 N ATOM 1600 CA ILE A 91 7.572 1.994 -1.071 1.00 0.46 C ATOM 1601 C ILE A 91 6.673 2.728 -2.063 1.00 0.47 C ATOM 1602 O ILE A 91 7.111 3.661 -2.740 1.00 0.51 O ATOM 1603 CB ILE A 91 7.789 0.545 -1.557 1.00 0.43 C ATOM 1604 CG1 ILE A 91 8.707 -0.212 -0.593 1.00 0.43 C ATOM 1605 CG2 ILE A 91 8.376 0.549 -2.960 1.00 0.49 C ATOM 1606 CD1 ILE A 91 8.920 -1.666 -0.966 1.00 0.45 C ATOM 0 H ILE A 91 6.584 1.152 0.575 1.00 0.47 H new ATOM 0 HA ILE A 91 8.541 2.491 -1.018 1.00 0.46 H new ATOM 0 HB ILE A 91 6.826 0.035 -1.582 1.00 0.43 H new ATOM 0 HG12 ILE A 91 9.674 0.290 -0.557 1.00 0.43 H new ATOM 0 HG13 ILE A 91 8.285 -0.162 0.411 1.00 0.43 H new ATOM 0 HG21 ILE A 91 8.526 -0.477 -3.295 1.00 0.49 H new ATOM 0 HG22 ILE A 91 7.691 1.056 -3.640 1.00 0.49 H new ATOM 0 HG23 ILE A 91 9.333 1.071 -2.953 1.00 0.49 H new ATOM 0 HD11 ILE A 91 9.581 -2.136 -0.237 1.00 0.45 H new ATOM 0 HD12 ILE A 91 7.961 -2.184 -0.973 1.00 0.45 H new ATOM 0 HD13 ILE A 91 9.372 -1.725 -1.956 1.00 0.45 H new ATOM 1613 N ALA A 92 5.412 2.311 -2.124 1.00 0.47 N ATOM 1614 CA ALA A 92 4.440 2.898 -3.042 1.00 0.53 C ATOM 1615 C ALA A 92 4.217 4.374 -2.739 1.00 0.60 C ATOM 1616 O ALA A 92 4.291 5.227 -3.624 1.00 0.64 O ATOM 1617 CB ALA A 92 3.121 2.143 -2.954 1.00 0.56 C ATOM 0 H ALA A 92 5.036 1.562 -1.543 1.00 0.47 H new ATOM 0 HA ALA A 92 4.837 2.817 -4.054 1.00 0.53 H new ATOM 0 HB1 ALA A 92 2.401 2.587 -3.642 1.00 0.56 H new ATOM 0 HB2 ALA A 92 3.281 1.098 -3.221 1.00 0.56 H new ATOM 0 HB3 ALA A 92 2.735 2.202 -1.936 1.00 0.56 H new ATOM 1623 N ARG A 93 3.956 4.673 -1.476 1.00 0.66 N ATOM 1624 CA ARG A 93 3.713 6.046 -1.060 1.00 0.77 C ATOM 1625 C ARG A 93 5.001 6.859 -1.084 1.00 0.68 C ATOM 1626 O ARG A 93 4.963 8.085 -1.014 1.00 0.68 O ATOM 1627 CB ARG A 93 3.068 6.090 0.327 1.00 0.99 C ATOM 1628 CG ARG A 93 1.707 5.414 0.365 1.00 1.55 C ATOM 1629 CD ARG A 93 1.061 5.512 1.735 1.00 1.83 C ATOM 1630 NE ARG A 93 -0.214 4.796 1.777 1.00 2.71 N ATOM 1631 CZ ARG A 93 -1.394 5.373 2.002 1.00 3.44 C ATOM 1632 NH1 ARG A 93 -1.472 6.671 2.284 1.00 3.55 N ATOM 1633 NH2 ARG A 93 -2.502 4.642 1.961 1.00 4.42 N ATOM 0 H ARG A 93 3.907 3.986 -0.723 1.00 0.66 H new ATOM 0 HA ARG A 93 3.018 6.494 -1.771 1.00 0.77 H new ATOM 0 HB2 ARG A 93 3.729 5.606 1.046 1.00 0.99 H new ATOM 0 HB3 ARG A 93 2.962 7.128 0.641 1.00 0.99 H new ATOM 0 HG2 ARG A 93 1.054 5.872 -0.377 1.00 1.55 H new ATOM 0 HG3 ARG A 93 1.816 4.365 0.090 1.00 1.55 H new ATOM 0 HD2 ARG A 93 1.735 5.102 2.487 1.00 1.83 H new ATOM 0 HD3 ARG A 93 0.900 6.560 1.989 1.00 1.83 H new ATOM 0 HE ARG A 93 -0.199 3.788 1.624 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -0.623 7.235 2.330 1.00 3.55 H new ATOM 0 HH12 ARG A 93 -2.381 7.102 2.454 1.00 3.55 H new ATOM 0 HH21 ARG A 93 -2.447 3.644 1.758 1.00 4.42 H new ATOM 0 HH22 ARG A 93 -3.408 5.079 2.132 1.00 4.42 H new ATOM 1647 N GLY A 94 6.134 6.172 -1.202 1.00 0.66 N ATOM 1648 CA GLY A 94 7.406 6.849 -1.349 1.00 0.65 C ATOM 1649 C GLY A 94 7.602 7.359 -2.762 1.00 0.56 C ATOM 1650 O GLY A 94 8.276 8.367 -2.985 1.00 0.56 O ATOM 0 H GLY A 94 6.191 5.154 -1.198 1.00 0.66 H new ATOM 0 HA2 GLY A 94 7.459 7.683 -0.649 1.00 0.65 H new ATOM 0 HA3 GLY A 94 8.215 6.166 -1.092 1.00 0.65 H new ATOM 1654 N ILE A 95 6.993 6.668 -3.716 1.00 0.52 N ATOM 1655 CA ILE A 95 7.035 7.073 -5.114 1.00 0.48 C ATOM 1656 C ILE A 95 6.368 8.432 -5.300 1.00 0.47 C ATOM 1657 O ILE A 95 6.941 9.343 -5.893 1.00 0.49 O ATOM 1658 CB ILE A 95 6.347 6.022 -6.012 1.00 0.50 C ATOM 1659 CG1 ILE A 95 7.174 4.732 -6.047 1.00 0.53 C ATOM 1660 CG2 ILE A 95 6.130 6.560 -7.419 1.00 0.52 C ATOM 1661 CD1 ILE A 95 8.572 4.920 -6.602 1.00 0.55 C ATOM 0 H ILE A 95 6.459 5.816 -3.544 1.00 0.52 H new ATOM 0 HA ILE A 95 8.082 7.151 -5.409 1.00 0.48 H new ATOM 0 HB ILE A 95 5.368 5.798 -5.587 1.00 0.50 H new ATOM 0 HG12 ILE A 95 7.245 4.329 -5.037 1.00 0.53 H new ATOM 0 HG13 ILE A 95 6.650 3.991 -6.650 1.00 0.53 H new ATOM 0 HG21 ILE A 95 5.644 5.798 -8.029 1.00 0.52 H new ATOM 0 HG22 ILE A 95 5.499 7.448 -7.376 1.00 0.52 H new ATOM 0 HG23 ILE A 95 7.092 6.820 -7.862 1.00 0.52 H new ATOM 0 HD11 ILE A 95 9.097 3.965 -6.596 1.00 0.55 H new ATOM 0 HD12 ILE A 95 8.510 5.294 -7.624 1.00 0.55 H new ATOM 0 HD13 ILE A 95 9.115 5.637 -5.986 1.00 0.55 H new ATOM 1668 N LYS A 96 5.168 8.572 -4.766 1.00 0.50 N ATOM 1669 CA LYS A 96 4.452 9.839 -4.834 1.00 0.54 C ATOM 1670 C LYS A 96 4.911 10.776 -3.720 1.00 0.57 C ATOM 1671 O LYS A 96 4.398 11.884 -3.574 1.00 0.83 O ATOM 1672 CB LYS A 96 2.931 9.608 -4.809 1.00 0.64 C ATOM 1673 CG LYS A 96 2.407 8.879 -3.573 1.00 1.47 C ATOM 1674 CD LYS A 96 2.322 9.798 -2.366 1.00 1.78 C ATOM 1675 CE LYS A 96 1.780 9.080 -1.145 1.00 1.90 C ATOM 1676 NZ LYS A 96 1.808 9.950 0.056 1.00 2.70 N ATOM 0 H LYS A 96 4.667 7.827 -4.281 1.00 0.50 H new ATOM 0 HA LYS A 96 4.687 10.324 -5.781 1.00 0.54 H new ATOM 0 HB2 LYS A 96 2.431 10.574 -4.881 1.00 0.64 H new ATOM 0 HB3 LYS A 96 2.651 9.037 -5.694 1.00 0.64 H new ATOM 0 HG2 LYS A 96 1.421 8.467 -3.786 1.00 1.47 H new ATOM 0 HG3 LYS A 96 3.061 8.038 -3.343 1.00 1.47 H new ATOM 0 HD2 LYS A 96 3.312 10.197 -2.143 1.00 1.78 H new ATOM 0 HD3 LYS A 96 1.681 10.648 -2.601 1.00 1.78 H new ATOM 0 HE2 LYS A 96 0.757 8.756 -1.337 1.00 1.90 H new ATOM 0 HE3 LYS A 96 2.369 8.182 -0.959 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 1.021 9.696 0.687 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 2.710 9.820 0.558 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 1.713 10.944 -0.233 1.00 2.70 H new ATOM 1690 N ALA A 97 5.903 10.338 -2.960 1.00 0.50 N ATOM 1691 CA ALA A 97 6.544 11.188 -1.970 1.00 0.53 C ATOM 1692 C ALA A 97 7.701 11.941 -2.602 1.00 0.46 C ATOM 1693 O ALA A 97 7.972 13.091 -2.257 1.00 0.48 O ATOM 1694 CB ALA A 97 7.024 10.377 -0.782 1.00 0.63 C ATOM 0 H ALA A 97 6.283 9.393 -3.011 1.00 0.50 H new ATOM 0 HA ALA A 97 5.809 11.907 -1.608 1.00 0.53 H new ATOM 0 HB1 ALA A 97 7.499 11.039 -0.058 1.00 0.63 H new ATOM 0 HB2 ALA A 97 6.175 9.878 -0.315 1.00 0.63 H new ATOM 0 HB3 ALA A 97 7.744 9.630 -1.118 1.00 0.63 H new ATOM 1700 N ARG A 98 8.370 11.301 -3.550 1.00 0.41 N ATOM 1701 CA ARG A 98 9.417 11.964 -4.312 1.00 0.44 C ATOM 1702 C ARG A 98 8.798 12.681 -5.505 1.00 0.44 C ATOM 1703 O ARG A 98 9.497 13.224 -6.351 1.00 0.53 O ATOM 1704 CB ARG A 98 10.503 10.971 -4.738 1.00 0.51 C ATOM 1705 CG ARG A 98 9.990 9.863 -5.645 1.00 1.02 C ATOM 1706 CD ARG A 98 10.977 8.712 -5.747 1.00 0.81 C ATOM 1707 NE ARG A 98 11.161 8.040 -4.461 1.00 1.51 N ATOM 1708 CZ ARG A 98 11.408 6.737 -4.328 1.00 1.94 C ATOM 1709 NH1 ARG A 98 11.503 5.956 -5.396 1.00 1.37 N ATOM 1710 NH2 ARG A 98 11.557 6.216 -3.119 1.00 3.10 N ATOM 0 H ARG A 98 8.207 10.328 -3.809 1.00 0.41 H new ATOM 0 HA ARG A 98 9.906 12.707 -3.682 1.00 0.44 H new ATOM 0 HB2 ARG A 98 11.297 11.512 -5.252 1.00 0.51 H new ATOM 0 HB3 ARG A 98 10.946 10.525 -3.847 1.00 0.51 H new ATOM 0 HG2 ARG A 98 9.039 9.493 -5.263 1.00 1.02 H new ATOM 0 HG3 ARG A 98 9.799 10.267 -6.639 1.00 1.02 H new ATOM 0 HD2 ARG A 98 10.622 7.993 -6.486 1.00 0.81 H new ATOM 0 HD3 ARG A 98 11.937 9.087 -6.102 1.00 0.81 H new ATOM 0 HE ARG A 98 11.096 8.604 -3.613 1.00 1.51 H new ATOM 0 HH11 ARG A 98 11.387 6.352 -6.329 1.00 1.37 H new ATOM 0 HH12 ARG A 98 11.692 4.960 -5.284 1.00 1.37 H new ATOM 0 HH21 ARG A 98 11.483 6.812 -2.294 1.00 3.10 H new ATOM 0 HH22 ARG A 98 11.746 5.219 -3.013 1.00 3.10 H new ATOM 1724 N TYR A 99 7.473 12.663 -5.552 1.00 0.44 N ATOM 1725 CA TYR A 99 6.722 13.572 -6.404 1.00 0.50 C ATOM 1726 C TYR A 99 6.511 14.892 -5.671 1.00 0.54 C ATOM 1727 O TYR A 99 6.586 15.964 -6.271 1.00 0.64 O ATOM 1728 CB TYR A 99 5.364 12.978 -6.780 1.00 0.53 C ATOM 1729 CG TYR A 99 5.255 12.542 -8.224 1.00 0.59 C ATOM 1730 CD1 TYR A 99 5.156 13.472 -9.251 1.00 0.73 C ATOM 1731 CD2 TYR A 99 5.261 11.194 -8.561 1.00 0.60 C ATOM 1732 CE1 TYR A 99 5.066 13.071 -10.570 1.00 0.85 C ATOM 1733 CE2 TYR A 99 5.170 10.785 -9.877 1.00 0.71 C ATOM 1734 CZ TYR A 99 5.035 11.754 -10.882 1.00 0.83 C ATOM 1735 OH TYR A 99 4.989 11.325 -12.190 1.00 0.97 O ATOM 0 H TYR A 99 6.894 12.025 -5.006 1.00 0.44 H new ATOM 0 HA TYR A 99 7.291 13.736 -7.319 1.00 0.50 H new ATOM 0 HB2 TYR A 99 5.165 12.120 -6.137 1.00 0.53 H new ATOM 0 HB3 TYR A 99 4.588 13.716 -6.576 1.00 0.53 H new ATOM 0 HD1 TYR A 99 5.149 14.526 -9.015 1.00 0.73 H new ATOM 0 HD2 TYR A 99 5.338 10.453 -7.780 1.00 0.60 H new ATOM 0 HE1 TYR A 99 5.020 13.811 -11.355 1.00 0.85 H new ATOM 0 HE2 TYR A 99 5.202 9.735 -10.128 1.00 0.71 H new ATOM 0 HH TYR A 99 5.063 10.348 -12.217 1.00 0.97 H new ATOM 1745 N TYR A 100 6.274 14.804 -4.355 1.00 0.51 N ATOM 1746 CA TYR A 100 5.980 15.983 -3.542 1.00 0.58 C ATOM 1747 C TYR A 100 7.099 17.010 -3.637 1.00 0.58 C ATOM 1748 O TYR A 100 6.856 18.215 -3.716 1.00 0.71 O ATOM 1749 CB TYR A 100 5.820 15.634 -2.060 1.00 0.57 C ATOM 1750 CG TYR A 100 4.599 14.821 -1.705 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.334 15.185 -2.136 1.00 1.03 C ATOM 1752 CD2 TYR A 100 4.720 13.696 -0.912 1.00 0.97 C ATOM 1753 CE1 TYR A 100 2.224 14.440 -1.786 1.00 1.26 C ATOM 1754 CE2 TYR A 100 3.621 12.947 -0.555 1.00 1.16 C ATOM 1755 CZ TYR A 100 2.376 13.323 -0.993 1.00 1.21 C ATOM 1756 OH TYR A 100 1.278 12.575 -0.633 1.00 1.48 O ATOM 0 H TYR A 100 6.281 13.927 -3.835 1.00 0.51 H new ATOM 0 HA TYR A 100 5.046 16.386 -3.934 1.00 0.58 H new ATOM 0 HB2 TYR A 100 6.705 15.085 -1.738 1.00 0.57 H new ATOM 0 HB3 TYR A 100 5.794 16.562 -1.488 1.00 0.57 H new ATOM 0 HD1 TYR A 100 3.214 16.063 -2.754 1.00 1.03 H new ATOM 0 HD2 TYR A 100 5.698 13.398 -0.565 1.00 0.97 H new ATOM 0 HE1 TYR A 100 1.243 14.731 -2.132 1.00 1.26 H new ATOM 0 HE2 TYR A 100 3.738 12.070 0.065 1.00 1.16 H new ATOM 0 HH TYR A 100 0.628 13.147 -0.174 1.00 1.48 H new ATOM 1766 N THR A 101 8.328 16.506 -3.621 1.00 0.55 N ATOM 1767 CA THR A 101 9.522 17.336 -3.551 1.00 0.66 C ATOM 1768 C THR A 101 9.721 18.187 -4.801 1.00 0.71 C ATOM 1769 O THR A 101 10.585 19.065 -4.832 1.00 0.71 O ATOM 1770 CB THR A 101 10.768 16.458 -3.345 1.00 0.71 C ATOM 1771 OG1 THR A 101 10.747 15.359 -4.267 1.00 0.65 O ATOM 1772 CG2 THR A 101 10.833 15.930 -1.921 1.00 0.87 C ATOM 0 H THR A 101 8.523 15.506 -3.656 1.00 0.55 H new ATOM 0 HA THR A 101 9.383 18.009 -2.705 1.00 0.66 H new ATOM 0 HB THR A 101 11.651 17.071 -3.526 1.00 0.71 H new ATOM 0 HG1 THR A 101 11.430 14.705 -4.012 1.00 0.65 H new ATOM 0 HG21 THR A 101 11.723 15.312 -1.802 1.00 0.87 H new ATOM 0 HG22 THR A 101 10.876 16.767 -1.224 1.00 0.87 H new ATOM 0 HG23 THR A 101 9.946 15.331 -1.714 1.00 0.87 H new ATOM 1780 N GLY A 102 8.912 17.941 -5.821 1.00 0.82 N ATOM 1781 CA GLY A 102 9.098 18.611 -7.087 1.00 0.95 C ATOM 1782 C GLY A 102 9.887 17.755 -8.049 1.00 0.95 C ATOM 1783 O GLY A 102 10.186 18.172 -9.168 1.00 1.16 O ATOM 0 H GLY A 102 8.129 17.288 -5.792 1.00 0.82 H new ATOM 0 HA2 GLY A 102 8.127 18.849 -7.521 1.00 0.95 H new ATOM 0 HA3 GLY A 102 9.617 19.556 -6.928 1.00 0.95 H new ATOM 1787 N ASN A 103 10.220 16.553 -7.606 1.00 0.82 N ATOM 1788 CA ASN A 103 10.939 15.607 -8.437 1.00 0.89 C ATOM 1789 C ASN A 103 9.950 14.670 -9.103 1.00 0.98 C ATOM 1790 O ASN A 103 8.760 14.680 -8.780 1.00 1.83 O ATOM 1791 CB ASN A 103 11.954 14.803 -7.617 1.00 0.90 C ATOM 1792 CG ASN A 103 13.071 15.660 -7.057 1.00 1.28 C ATOM 1793 OD1 ASN A 103 14.074 15.912 -7.724 1.00 1.76 O ATOM 1794 ND2 ASN A 103 12.916 16.095 -5.817 1.00 1.65 N ATOM 0 H ASN A 103 10.001 16.210 -6.670 1.00 0.82 H new ATOM 0 HA ASN A 103 11.490 16.163 -9.196 1.00 0.89 H new ATOM 0 HB2 ASN A 103 11.438 14.306 -6.796 1.00 0.90 H new ATOM 0 HB3 ASN A 103 12.382 14.021 -8.244 1.00 0.90 H new ATOM 0 HD21 ASN A 103 13.643 16.661 -5.381 1.00 1.65 H new ATOM 0 HD22 ASN A 103 12.069 15.864 -5.298 1.00 1.65 H new ATOM 1801 N GLU A 104 10.430 13.868 -10.033 1.00 0.56 N ATOM 1802 CA GLU A 104 9.567 12.955 -10.751 1.00 0.56 C ATOM 1803 C GLU A 104 10.239 11.601 -10.930 1.00 0.49 C ATOM 1804 O GLU A 104 11.218 11.484 -11.665 1.00 0.55 O ATOM 1805 CB GLU A 104 9.195 13.533 -12.115 1.00 0.67 C ATOM 1806 CG GLU A 104 8.405 14.826 -12.033 1.00 0.80 C ATOM 1807 CD GLU A 104 8.129 15.414 -13.397 1.00 1.15 C ATOM 1808 OE1 GLU A 104 7.115 15.044 -14.018 1.00 1.75 O ATOM 1809 OE2 GLU A 104 8.935 16.245 -13.863 1.00 1.17 O ATOM 0 H GLU A 104 11.412 13.831 -10.308 1.00 0.56 H new ATOM 0 HA GLU A 104 8.659 12.818 -10.163 1.00 0.56 H new ATOM 0 HB2 GLU A 104 10.106 13.710 -12.686 1.00 0.67 H new ATOM 0 HB3 GLU A 104 8.612 12.795 -12.666 1.00 0.67 H new ATOM 0 HG2 GLU A 104 7.461 14.641 -11.521 1.00 0.80 H new ATOM 0 HG3 GLU A 104 8.957 15.549 -11.432 1.00 0.80 H new ATOM 1816 N PRO A 105 9.746 10.569 -10.236 1.00 0.44 N ATOM 1817 CA PRO A 105 10.220 9.198 -10.431 1.00 0.44 C ATOM 1818 C PRO A 105 9.956 8.726 -11.857 1.00 0.42 C ATOM 1819 O PRO A 105 8.929 9.068 -12.447 1.00 0.47 O ATOM 1820 CB PRO A 105 9.387 8.378 -9.436 1.00 0.48 C ATOM 1821 CG PRO A 105 8.230 9.242 -9.078 1.00 0.53 C ATOM 1822 CD PRO A 105 8.716 10.656 -9.190 1.00 0.49 C ATOM 0 HA PRO A 105 11.294 9.102 -10.272 1.00 0.44 H new ATOM 0 HB2 PRO A 105 9.054 7.441 -9.882 1.00 0.48 H new ATOM 0 HB3 PRO A 105 9.972 8.120 -8.553 1.00 0.48 H new ATOM 0 HG2 PRO A 105 7.389 9.065 -9.749 1.00 0.53 H new ATOM 0 HG3 PRO A 105 7.882 9.028 -8.067 1.00 0.53 H new ATOM 0 HD2 PRO A 105 7.913 11.338 -9.470 1.00 0.49 H new ATOM 0 HD3 PRO A 105 9.127 11.017 -8.247 1.00 0.49 H new ATOM 1830 N THR A 106 10.873 7.951 -12.414 1.00 0.42 N ATOM 1831 CA THR A 106 10.692 7.420 -13.753 1.00 0.42 C ATOM 1832 C THR A 106 9.695 6.272 -13.718 1.00 0.39 C ATOM 1833 O THR A 106 9.396 5.753 -12.644 1.00 0.41 O ATOM 1834 CB THR A 106 12.022 6.919 -14.346 1.00 0.50 C ATOM 1835 OG1 THR A 106 12.614 5.952 -13.465 1.00 1.48 O ATOM 1836 CG2 THR A 106 12.987 8.074 -14.567 1.00 1.05 C ATOM 0 H THR A 106 11.745 7.678 -11.962 1.00 0.42 H new ATOM 0 HA THR A 106 10.317 8.225 -14.385 1.00 0.42 H new ATOM 0 HB THR A 106 11.815 6.454 -15.310 1.00 0.50 H new ATOM 0 HG1 THR A 106 13.459 5.635 -13.847 1.00 1.48 H new ATOM 0 HG21 THR A 106 13.919 7.694 -14.986 1.00 1.05 H new ATOM 0 HG22 THR A 106 12.544 8.791 -15.258 1.00 1.05 H new ATOM 0 HG23 THR A 106 13.191 8.565 -13.615 1.00 1.05 H new ATOM 1844 N LYS A 107 9.178 5.858 -14.867 1.00 0.39 N ATOM 1845 CA LYS A 107 8.252 4.738 -14.882 1.00 0.39 C ATOM 1846 C LYS A 107 8.963 3.466 -14.417 1.00 0.36 C ATOM 1847 O LYS A 107 8.328 2.531 -13.939 1.00 0.38 O ATOM 1848 CB LYS A 107 7.622 4.538 -16.265 1.00 0.43 C ATOM 1849 CG LYS A 107 8.611 4.177 -17.359 1.00 1.33 C ATOM 1850 CD LYS A 107 7.901 3.937 -18.683 1.00 1.66 C ATOM 1851 CE LYS A 107 8.883 3.578 -19.786 1.00 2.22 C ATOM 1852 NZ LYS A 107 8.204 3.343 -21.086 1.00 2.88 N ATOM 0 H LYS A 107 9.378 6.270 -15.779 1.00 0.39 H new ATOM 0 HA LYS A 107 7.440 4.963 -14.191 1.00 0.39 H new ATOM 0 HB2 LYS A 107 6.870 3.752 -16.198 1.00 0.43 H new ATOM 0 HB3 LYS A 107 7.102 5.453 -16.550 1.00 0.43 H new ATOM 0 HG2 LYS A 107 9.340 4.980 -17.474 1.00 1.33 H new ATOM 0 HG3 LYS A 107 9.164 3.283 -17.072 1.00 1.33 H new ATOM 0 HD2 LYS A 107 7.174 3.133 -18.566 1.00 1.66 H new ATOM 0 HD3 LYS A 107 7.345 4.831 -18.966 1.00 1.66 H new ATOM 0 HE2 LYS A 107 9.611 4.382 -19.898 1.00 2.22 H new ATOM 0 HE3 LYS A 107 9.437 2.684 -19.500 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 8.912 3.101 -21.809 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 7.528 2.559 -20.988 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 7.696 4.204 -21.373 1.00 2.88 H new ATOM 1866 N ASP A 108 10.292 3.457 -14.534 1.00 0.36 N ATOM 1867 CA ASP A 108 11.096 2.336 -14.055 1.00 0.38 C ATOM 1868 C ASP A 108 11.149 2.334 -12.534 1.00 0.36 C ATOM 1869 O ASP A 108 11.152 1.275 -11.910 1.00 0.38 O ATOM 1870 CB ASP A 108 12.513 2.376 -14.634 1.00 0.47 C ATOM 1871 CG ASP A 108 12.555 2.019 -16.105 1.00 1.29 C ATOM 1872 OD1 ASP A 108 12.178 0.882 -16.457 1.00 1.26 O ATOM 1873 OD2 ASP A 108 12.956 2.877 -16.925 1.00 2.24 O ATOM 0 H ASP A 108 10.832 4.213 -14.956 1.00 0.36 H new ATOM 0 HA ASP A 108 10.621 1.416 -14.395 1.00 0.38 H new ATOM 0 HB2 ASP A 108 12.930 3.374 -14.495 1.00 0.47 H new ATOM 0 HB3 ASP A 108 13.147 1.685 -14.079 1.00 0.47 H new ATOM 1878 N ASP A 109 11.182 3.529 -11.946 1.00 0.36 N ATOM 1879 CA ASP A 109 11.095 3.671 -10.494 1.00 0.37 C ATOM 1880 C ASP A 109 9.769 3.090 -10.010 1.00 0.34 C ATOM 1881 O ASP A 109 9.708 2.375 -9.009 1.00 0.36 O ATOM 1882 CB ASP A 109 11.188 5.150 -10.097 1.00 0.39 C ATOM 1883 CG ASP A 109 11.613 5.340 -8.649 1.00 0.88 C ATOM 1884 OD1 ASP A 109 12.198 4.406 -8.061 1.00 0.94 O ATOM 1885 OD2 ASP A 109 11.347 6.423 -8.080 1.00 1.73 O ATOM 0 H ASP A 109 11.268 4.411 -12.452 1.00 0.36 H new ATOM 0 HA ASP A 109 11.923 3.133 -10.032 1.00 0.37 H new ATOM 0 HB2 ASP A 109 11.900 5.654 -10.750 1.00 0.39 H new ATOM 0 HB3 ASP A 109 10.220 5.626 -10.253 1.00 0.39 H new ATOM 1890 N LEU A 110 8.713 3.392 -10.765 1.00 0.30 N ATOM 1891 CA LEU A 110 7.374 2.872 -10.498 1.00 0.30 C ATOM 1892 C LEU A 110 7.337 1.357 -10.681 1.00 0.29 C ATOM 1893 O LEU A 110 6.802 0.634 -9.841 1.00 0.33 O ATOM 1894 CB LEU A 110 6.351 3.540 -11.432 1.00 0.30 C ATOM 1895 CG LEU A 110 5.845 4.926 -11.005 1.00 0.38 C ATOM 1896 CD1 LEU A 110 6.991 5.845 -10.639 1.00 0.82 C ATOM 1897 CD2 LEU A 110 5.012 5.553 -12.113 1.00 0.82 C ATOM 0 H LEU A 110 8.763 4.004 -11.579 1.00 0.30 H new ATOM 0 HA LEU A 110 7.116 3.102 -9.464 1.00 0.30 H new ATOM 0 HB2 LEU A 110 6.798 3.629 -12.422 1.00 0.30 H new ATOM 0 HB3 LEU A 110 5.492 2.877 -11.529 1.00 0.30 H new ATOM 0 HG LEU A 110 5.222 4.791 -10.121 1.00 0.38 H new ATOM 0 HD11 LEU A 110 6.597 6.817 -10.342 1.00 0.82 H new ATOM 0 HD12 LEU A 110 7.554 5.413 -9.812 1.00 0.82 H new ATOM 0 HD13 LEU A 110 7.648 5.968 -11.500 1.00 0.82 H new ATOM 0 HD21 LEU A 110 4.662 6.534 -11.794 1.00 0.82 H new ATOM 0 HD22 LEU A 110 5.621 5.660 -13.010 1.00 0.82 H new ATOM 0 HD23 LEU A 110 4.155 4.915 -12.330 1.00 0.82 H new ATOM 1909 N LYS A 111 7.906 0.883 -11.781 1.00 0.28 N ATOM 1910 CA LYS A 111 7.993 -0.550 -12.048 1.00 0.31 C ATOM 1911 C LYS A 111 8.682 -1.268 -10.895 1.00 0.33 C ATOM 1912 O LYS A 111 8.182 -2.270 -10.389 1.00 0.35 O ATOM 1913 CB LYS A 111 8.747 -0.806 -13.353 1.00 0.37 C ATOM 1914 CG LYS A 111 7.947 -0.459 -14.599 1.00 0.93 C ATOM 1915 CD LYS A 111 8.839 -0.289 -15.820 1.00 0.92 C ATOM 1916 CE LYS A 111 9.711 -1.510 -16.071 1.00 1.02 C ATOM 1917 NZ LYS A 111 10.639 -1.297 -17.213 1.00 1.74 N ATOM 0 H LYS A 111 8.316 1.471 -12.507 1.00 0.28 H new ATOM 0 HA LYS A 111 6.980 -0.941 -12.147 1.00 0.31 H new ATOM 0 HB2 LYS A 111 9.669 -0.224 -13.350 1.00 0.37 H new ATOM 0 HB3 LYS A 111 9.033 -1.857 -13.397 1.00 0.37 H new ATOM 0 HG2 LYS A 111 7.216 -1.244 -14.791 1.00 0.93 H new ATOM 0 HG3 LYS A 111 7.389 0.461 -14.427 1.00 0.93 H new ATOM 0 HD2 LYS A 111 8.219 -0.101 -16.697 1.00 0.92 H new ATOM 0 HD3 LYS A 111 9.474 0.587 -15.685 1.00 0.92 H new ATOM 0 HE2 LYS A 111 10.285 -1.738 -15.173 1.00 1.02 H new ATOM 0 HE3 LYS A 111 9.078 -2.374 -16.273 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 11.169 -2.173 -17.398 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 10.094 -1.037 -18.060 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 11.304 -0.532 -16.982 1.00 1.74 H new ATOM 1931 N ALA A 112 9.816 -0.730 -10.469 1.00 0.36 N ATOM 1932 CA ALA A 112 10.572 -1.305 -9.369 1.00 0.42 C ATOM 1933 C ALA A 112 9.769 -1.291 -8.073 1.00 0.43 C ATOM 1934 O ALA A 112 9.769 -2.272 -7.329 1.00 0.47 O ATOM 1935 CB ALA A 112 11.886 -0.560 -9.183 1.00 0.46 C ATOM 0 H ALA A 112 10.233 0.109 -10.872 1.00 0.36 H new ATOM 0 HA ALA A 112 10.785 -2.344 -9.619 1.00 0.42 H new ATOM 0 HB1 ALA A 112 12.441 -1.002 -8.356 1.00 0.46 H new ATOM 0 HB2 ALA A 112 12.477 -0.632 -10.096 1.00 0.46 H new ATOM 0 HB3 ALA A 112 11.682 0.488 -8.964 1.00 0.46 H new ATOM 1941 N SER A 113 9.078 -0.186 -7.811 1.00 0.41 N ATOM 1942 CA SER A 113 8.344 -0.033 -6.560 1.00 0.45 C ATOM 1943 C SER A 113 7.244 -1.079 -6.402 1.00 0.40 C ATOM 1944 O SER A 113 7.043 -1.599 -5.309 1.00 0.44 O ATOM 1945 CB SER A 113 7.758 1.378 -6.432 1.00 0.54 C ATOM 1946 OG SER A 113 6.852 1.680 -7.478 1.00 1.34 O ATOM 0 H SER A 113 9.011 0.611 -8.443 1.00 0.41 H new ATOM 0 HA SER A 113 9.063 -0.189 -5.756 1.00 0.45 H new ATOM 0 HB2 SER A 113 7.247 1.472 -5.474 1.00 0.54 H new ATOM 0 HB3 SER A 113 8.568 2.107 -6.434 1.00 0.54 H new ATOM 0 HG SER A 113 6.904 0.984 -8.166 1.00 1.34 H new ATOM 1952 N VAL A 114 6.551 -1.417 -7.486 1.00 0.36 N ATOM 1953 CA VAL A 114 5.449 -2.360 -7.397 1.00 0.36 C ATOM 1954 C VAL A 114 5.993 -3.781 -7.440 1.00 0.35 C ATOM 1955 O VAL A 114 5.369 -4.730 -6.980 1.00 0.37 O ATOM 1956 CB VAL A 114 4.434 -2.153 -8.544 1.00 0.36 C ATOM 1957 CG1 VAL A 114 4.101 -0.679 -8.705 1.00 0.65 C ATOM 1958 CG2 VAL A 114 4.938 -2.739 -9.849 1.00 0.56 C ATOM 0 H VAL A 114 6.732 -1.056 -8.423 1.00 0.36 H new ATOM 0 HA VAL A 114 4.929 -2.189 -6.454 1.00 0.36 H new ATOM 0 HB VAL A 114 3.521 -2.686 -8.278 1.00 0.36 H new ATOM 0 HG11 VAL A 114 3.385 -0.554 -9.517 1.00 0.65 H new ATOM 0 HG12 VAL A 114 3.669 -0.300 -7.779 1.00 0.65 H new ATOM 0 HG13 VAL A 114 5.010 -0.123 -8.934 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.198 -2.574 -10.632 1.00 0.56 H new ATOM 0 HG22 VAL A 114 5.874 -2.255 -10.127 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.105 -3.809 -9.727 1.00 0.56 H new ATOM 1962 N LYS A 115 7.177 -3.896 -8.014 1.00 0.35 N ATOM 1963 CA LYS A 115 7.879 -5.152 -8.136 1.00 0.37 C ATOM 1964 C LYS A 115 8.337 -5.658 -6.781 1.00 0.35 C ATOM 1965 O LYS A 115 8.132 -6.820 -6.443 1.00 0.37 O ATOM 1966 CB LYS A 115 9.089 -4.943 -9.023 1.00 0.48 C ATOM 1967 CG LYS A 115 9.755 -6.220 -9.464 1.00 0.84 C ATOM 1968 CD LYS A 115 10.992 -5.916 -10.275 1.00 0.81 C ATOM 1969 CE LYS A 115 12.024 -5.178 -9.446 1.00 1.16 C ATOM 1970 NZ LYS A 115 13.302 -5.000 -10.177 1.00 1.72 N ATOM 0 H LYS A 115 7.682 -3.105 -8.413 1.00 0.35 H new ATOM 0 HA LYS A 115 7.204 -5.892 -8.566 1.00 0.37 H new ATOM 0 HB2 LYS A 115 8.786 -4.380 -9.906 1.00 0.48 H new ATOM 0 HB3 LYS A 115 9.817 -4.332 -8.489 1.00 0.48 H new ATOM 0 HG2 LYS A 115 10.022 -6.818 -8.593 1.00 0.84 H new ATOM 0 HG3 LYS A 115 9.060 -6.814 -10.058 1.00 0.84 H new ATOM 0 HD2 LYS A 115 11.421 -6.845 -10.651 1.00 0.81 H new ATOM 0 HD3 LYS A 115 10.722 -5.315 -11.143 1.00 0.81 H new ATOM 0 HE2 LYS A 115 11.630 -4.202 -9.162 1.00 1.16 H new ATOM 0 HE3 LYS A 115 12.208 -5.728 -8.523 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 13.979 -4.491 -9.574 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 13.692 -5.931 -10.426 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 13.132 -4.453 -11.045 1.00 1.72 H new ATOM 1984 N GLU A 116 8.968 -4.785 -6.011 1.00 0.36 N ATOM 1985 CA GLU A 116 9.496 -5.178 -4.712 1.00 0.38 C ATOM 1986 C GLU A 116 8.367 -5.557 -3.760 1.00 0.37 C ATOM 1987 O GLU A 116 8.506 -6.485 -2.977 1.00 0.38 O ATOM 1988 CB GLU A 116 10.365 -4.077 -4.105 1.00 0.43 C ATOM 1989 CG GLU A 116 11.493 -3.622 -5.014 1.00 0.80 C ATOM 1990 CD GLU A 116 12.471 -4.730 -5.338 1.00 1.30 C ATOM 1991 OE1 GLU A 116 12.222 -5.493 -6.290 1.00 2.27 O ATOM 1992 OE2 GLU A 116 13.497 -4.845 -4.634 1.00 1.32 O ATOM 0 H GLU A 116 9.126 -3.808 -6.259 1.00 0.36 H new ATOM 0 HA GLU A 116 10.127 -6.054 -4.865 1.00 0.38 H new ATOM 0 HB2 GLU A 116 9.736 -3.220 -3.864 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.788 -4.435 -3.167 1.00 0.43 H new ATOM 0 HG2 GLU A 116 11.072 -3.234 -5.941 1.00 0.80 H new ATOM 0 HG3 GLU A 116 12.028 -2.800 -4.538 1.00 0.80 H new ATOM 1999 N VAL A 117 7.238 -4.870 -3.847 1.00 0.36 N ATOM 2000 CA VAL A 117 6.077 -5.238 -3.038 1.00 0.38 C ATOM 2001 C VAL A 117 5.516 -6.584 -3.498 1.00 0.38 C ATOM 2002 O VAL A 117 4.929 -7.316 -2.711 1.00 0.43 O ATOM 2003 CB VAL A 117 4.968 -4.158 -3.060 1.00 0.43 C ATOM 2004 CG1 VAL A 117 5.569 -2.781 -2.870 1.00 0.81 C ATOM 2005 CG2 VAL A 117 4.141 -4.215 -4.331 1.00 0.78 C ATOM 0 H VAL A 117 7.097 -4.066 -4.459 1.00 0.36 H new ATOM 0 HA VAL A 117 6.420 -5.320 -2.007 1.00 0.38 H new ATOM 0 HB VAL A 117 4.292 -4.365 -2.230 1.00 0.43 H new ATOM 0 HG11 VAL A 117 4.777 -2.033 -2.888 1.00 0.81 H new ATOM 0 HG12 VAL A 117 6.086 -2.739 -1.912 1.00 0.81 H new ATOM 0 HG13 VAL A 117 6.277 -2.579 -3.674 1.00 0.81 H new ATOM 0 HG21 VAL A 117 3.376 -3.439 -4.302 1.00 0.78 H new ATOM 0 HG22 VAL A 117 4.788 -4.055 -5.193 1.00 0.78 H new ATOM 0 HG23 VAL A 117 3.665 -5.192 -4.412 1.00 0.78 H new ATOM 2009 N LEU A 118 5.721 -6.926 -4.759 1.00 0.36 N ATOM 2010 CA LEU A 118 5.388 -8.265 -5.233 1.00 0.36 C ATOM 2011 C LEU A 118 6.406 -9.259 -4.703 1.00 0.36 C ATOM 2012 O LEU A 118 6.057 -10.375 -4.336 1.00 0.38 O ATOM 2013 CB LEU A 118 5.377 -8.325 -6.762 1.00 0.41 C ATOM 2014 CG LEU A 118 4.232 -7.601 -7.464 1.00 0.49 C ATOM 2015 CD1 LEU A 118 4.538 -7.479 -8.938 1.00 1.21 C ATOM 2016 CD2 LEU A 118 2.920 -8.343 -7.278 1.00 0.88 C ATOM 0 H LEU A 118 6.112 -6.306 -5.468 1.00 0.36 H new ATOM 0 HA LEU A 118 4.391 -8.515 -4.869 1.00 0.36 H new ATOM 0 HB2 LEU A 118 6.317 -7.910 -7.126 1.00 0.41 H new ATOM 0 HB3 LEU A 118 5.353 -9.373 -7.062 1.00 0.41 H new ATOM 0 HG LEU A 118 4.132 -6.610 -7.022 1.00 0.49 H new ATOM 0 HD11 LEU A 118 3.719 -6.962 -9.438 1.00 1.21 H new ATOM 0 HD12 LEU A 118 5.460 -6.914 -9.073 1.00 1.21 H new ATOM 0 HD13 LEU A 118 4.656 -8.473 -9.369 1.00 1.21 H new ATOM 0 HD21 LEU A 118 2.122 -7.804 -7.789 1.00 0.88 H new ATOM 0 HD22 LEU A 118 3.007 -9.346 -7.696 1.00 0.88 H new ATOM 0 HD23 LEU A 118 2.689 -8.412 -6.215 1.00 0.88 H new ATOM 2028 N LYS A 119 7.660 -8.832 -4.651 1.00 0.36 N ATOM 2029 CA LYS A 119 8.736 -9.647 -4.133 1.00 0.37 C ATOM 2030 C LYS A 119 8.406 -10.064 -2.706 1.00 0.36 C ATOM 2031 O LYS A 119 8.552 -11.229 -2.331 1.00 0.38 O ATOM 2032 CB LYS A 119 10.040 -8.849 -4.192 1.00 0.39 C ATOM 2033 CG LYS A 119 11.209 -9.532 -3.523 1.00 0.43 C ATOM 2034 CD LYS A 119 12.448 -8.648 -3.507 1.00 0.67 C ATOM 2035 CE LYS A 119 12.247 -7.410 -2.641 1.00 0.57 C ATOM 2036 NZ LYS A 119 13.457 -6.549 -2.614 1.00 0.95 N ATOM 0 H LYS A 119 7.954 -7.909 -4.969 1.00 0.36 H new ATOM 0 HA LYS A 119 8.857 -10.549 -4.733 1.00 0.37 H new ATOM 0 HB2 LYS A 119 10.291 -8.660 -5.236 1.00 0.39 H new ATOM 0 HB3 LYS A 119 9.882 -7.879 -3.722 1.00 0.39 H new ATOM 0 HG2 LYS A 119 10.939 -9.797 -2.501 1.00 0.43 H new ATOM 0 HG3 LYS A 119 11.433 -10.462 -4.045 1.00 0.43 H new ATOM 0 HD2 LYS A 119 13.298 -9.219 -3.133 1.00 0.67 H new ATOM 0 HD3 LYS A 119 12.691 -8.344 -4.525 1.00 0.67 H new ATOM 0 HE2 LYS A 119 11.401 -6.836 -3.020 1.00 0.57 H new ATOM 0 HE3 LYS A 119 11.996 -7.715 -1.625 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 13.358 -5.834 -1.865 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 14.296 -7.134 -2.425 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 13.566 -6.075 -3.533 1.00 0.95 H new ATOM 2050 N LEU A 120 7.964 -9.094 -1.915 1.00 0.36 N ATOM 2051 CA LEU A 120 7.416 -9.361 -0.607 1.00 0.37 C ATOM 2052 C LEU A 120 6.146 -10.204 -0.689 1.00 0.36 C ATOM 2053 O LEU A 120 6.078 -11.268 -0.074 1.00 0.38 O ATOM 2054 CB LEU A 120 7.105 -8.048 0.115 1.00 0.39 C ATOM 2055 CG LEU A 120 8.284 -7.314 0.752 1.00 0.42 C ATOM 2056 CD1 LEU A 120 8.896 -8.168 1.827 1.00 1.06 C ATOM 2057 CD2 LEU A 120 9.343 -6.926 -0.262 1.00 0.99 C ATOM 0 H LEU A 120 7.979 -8.106 -2.168 1.00 0.36 H new ATOM 0 HA LEU A 120 8.165 -9.922 -0.049 1.00 0.37 H new ATOM 0 HB2 LEU A 120 6.630 -7.373 -0.597 1.00 0.39 H new ATOM 0 HB3 LEU A 120 6.373 -8.255 0.895 1.00 0.39 H new ATOM 0 HG LEU A 120 7.896 -6.391 1.183 1.00 0.42 H new ATOM 0 HD11 LEU A 120 9.736 -7.639 2.277 1.00 1.06 H new ATOM 0 HD12 LEU A 120 8.149 -8.381 2.592 1.00 1.06 H new ATOM 0 HD13 LEU A 120 9.247 -9.104 1.392 1.00 1.06 H new ATOM 0 HD21 LEU A 120 10.158 -6.408 0.243 1.00 0.99 H new ATOM 0 HD22 LEU A 120 9.729 -7.823 -0.747 1.00 0.99 H new ATOM 0 HD23 LEU A 120 8.905 -6.268 -1.012 1.00 0.99 H new ATOM 2069 N TYR A 121 5.145 -9.756 -1.448 1.00 0.35 N ATOM 2070 CA TYR A 121 3.826 -10.363 -1.332 1.00 0.36 C ATOM 2071 C TYR A 121 3.813 -11.804 -1.845 1.00 0.38 C ATOM 2072 O TYR A 121 3.138 -12.662 -1.276 1.00 0.41 O ATOM 2073 CB TYR A 121 2.740 -9.508 -2.003 1.00 0.37 C ATOM 2074 CG TYR A 121 1.463 -10.264 -2.289 1.00 0.56 C ATOM 2075 CD1 TYR A 121 0.454 -10.348 -1.331 1.00 0.84 C ATOM 2076 CD2 TYR A 121 1.251 -10.867 -3.521 1.00 0.74 C ATOM 2077 CE1 TYR A 121 -0.726 -11.012 -1.601 1.00 1.13 C ATOM 2078 CE2 TYR A 121 0.071 -11.527 -3.798 1.00 1.05 C ATOM 2079 CZ TYR A 121 -0.857 -11.710 -2.786 1.00 1.23 C ATOM 2080 OH TYR A 121 -2.092 -12.242 -3.118 1.00 1.54 O ATOM 0 H TYR A 121 5.220 -8.999 -2.128 1.00 0.35 H new ATOM 0 HA TYR A 121 3.589 -10.402 -0.269 1.00 0.36 H new ATOM 0 HB2 TYR A 121 2.512 -8.657 -1.361 1.00 0.37 H new ATOM 0 HB3 TYR A 121 3.132 -9.107 -2.938 1.00 0.37 H new ATOM 0 HD1 TYR A 121 0.597 -9.888 -0.365 1.00 0.84 H new ATOM 0 HD2 TYR A 121 2.022 -10.819 -4.275 1.00 0.74 H new ATOM 0 HE1 TYR A 121 -1.540 -10.986 -0.892 1.00 1.13 H new ATOM 0 HE2 TYR A 121 -0.127 -11.897 -4.793 1.00 1.05 H new ATOM 0 HH TYR A 121 -2.802 -11.685 -2.736 1.00 1.54 H new ATOM 2090 N LYS A 122 4.577 -12.072 -2.894 1.00 0.40 N ATOM 2091 CA LYS A 122 4.651 -13.410 -3.472 1.00 0.45 C ATOM 2092 C LYS A 122 5.250 -14.412 -2.487 1.00 0.43 C ATOM 2093 O LYS A 122 4.984 -15.610 -2.571 1.00 0.46 O ATOM 2094 CB LYS A 122 5.492 -13.388 -4.749 1.00 0.52 C ATOM 2095 CG LYS A 122 4.820 -12.700 -5.927 1.00 0.60 C ATOM 2096 CD LYS A 122 3.675 -13.530 -6.480 1.00 1.21 C ATOM 2097 CE LYS A 122 3.113 -12.930 -7.756 1.00 1.27 C ATOM 2098 NZ LYS A 122 2.148 -13.846 -8.421 1.00 1.98 N ATOM 0 H LYS A 122 5.158 -11.378 -3.365 1.00 0.40 H new ATOM 0 HA LYS A 122 3.634 -13.724 -3.707 1.00 0.45 H new ATOM 0 HB2 LYS A 122 6.436 -12.886 -4.540 1.00 0.52 H new ATOM 0 HB3 LYS A 122 5.732 -14.413 -5.030 1.00 0.52 H new ATOM 0 HG2 LYS A 122 4.446 -11.725 -5.615 1.00 0.60 H new ATOM 0 HG3 LYS A 122 5.554 -12.523 -6.713 1.00 0.60 H new ATOM 0 HD2 LYS A 122 4.022 -14.544 -6.677 1.00 1.21 H new ATOM 0 HD3 LYS A 122 2.884 -13.603 -5.733 1.00 1.21 H new ATOM 0 HE2 LYS A 122 2.619 -11.986 -7.526 1.00 1.27 H new ATOM 0 HE3 LYS A 122 3.930 -12.703 -8.441 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 1.787 -13.400 -9.288 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 2.626 -14.737 -8.663 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 1.355 -14.042 -7.777 1.00 1.98 H new ATOM 2112 N ALA A 123 6.049 -13.911 -1.553 1.00 0.42 N ATOM 2113 CA ALA A 123 6.780 -14.764 -0.623 1.00 0.43 C ATOM 2114 C ALA A 123 6.027 -14.987 0.685 1.00 0.43 C ATOM 2115 O ALA A 123 6.482 -15.751 1.537 1.00 0.70 O ATOM 2116 CB ALA A 123 8.143 -14.154 -0.333 1.00 0.49 C ATOM 0 H ALA A 123 6.208 -12.912 -1.419 1.00 0.42 H new ATOM 0 HA ALA A 123 6.895 -15.738 -1.099 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.687 -14.793 0.362 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.707 -14.065 -1.262 1.00 0.49 H new ATOM 0 HB3 ALA A 123 8.013 -13.166 0.109 1.00 0.49 H new ATOM 2122 N MET A 124 4.892 -14.322 0.866 1.00 0.44 N ATOM 2123 CA MET A 124 4.144 -14.475 2.111 1.00 0.42 C ATOM 2124 C MET A 124 3.423 -15.814 2.159 1.00 0.42 C ATOM 2125 O MET A 124 3.164 -16.426 1.122 1.00 0.42 O ATOM 2126 CB MET A 124 3.129 -13.348 2.302 1.00 0.41 C ATOM 2127 CG MET A 124 3.753 -11.998 2.606 1.00 0.45 C ATOM 2128 SD MET A 124 2.567 -10.847 3.324 1.00 0.50 S ATOM 2129 CE MET A 124 1.288 -10.842 2.074 1.00 0.46 C ATOM 0 H MET A 124 4.476 -13.686 0.186 1.00 0.44 H new ATOM 0 HA MET A 124 4.872 -14.431 2.921 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.524 -13.262 1.400 1.00 0.41 H new ATOM 0 HB3 MET A 124 2.454 -13.615 3.115 1.00 0.41 H new ATOM 0 HG2 MET A 124 4.588 -12.132 3.293 1.00 0.45 H new ATOM 0 HG3 MET A 124 4.160 -11.573 1.689 1.00 0.45 H new ATOM 0 HE1 MET A 124 0.756 -9.891 2.102 1.00 0.46 H new ATOM 0 HE2 MET A 124 1.739 -10.977 1.091 1.00 0.46 H new ATOM 0 HE3 MET A 124 0.588 -11.655 2.266 1.00 0.46 H new ATOM 2139 N SER A 125 3.111 -16.267 3.365 1.00 0.47 N ATOM 2140 CA SER A 125 2.294 -17.458 3.553 1.00 0.54 C ATOM 2141 C SER A 125 0.923 -17.264 2.903 1.00 0.58 C ATOM 2142 O SER A 125 0.447 -16.130 2.802 1.00 0.92 O ATOM 2143 CB SER A 125 2.132 -17.727 5.046 1.00 0.62 C ATOM 2144 OG SER A 125 3.365 -17.551 5.726 1.00 1.18 O ATOM 0 H SER A 125 3.413 -15.825 4.233 1.00 0.47 H new ATOM 0 HA SER A 125 2.784 -18.310 3.082 1.00 0.54 H new ATOM 0 HB2 SER A 125 1.383 -17.054 5.462 1.00 0.62 H new ATOM 0 HB3 SER A 125 1.768 -18.743 5.200 1.00 0.62 H new ATOM 0 HG SER A 125 3.239 -17.726 6.682 1.00 1.18 H new ATOM 2150 N ASP A 126 0.286 -18.346 2.468 1.00 0.44 N ATOM 2151 CA ASP A 126 -0.984 -18.228 1.749 1.00 0.43 C ATOM 2152 C ASP A 126 -2.047 -17.574 2.631 1.00 0.39 C ATOM 2153 O ASP A 126 -2.804 -16.719 2.166 1.00 0.38 O ATOM 2154 CB ASP A 126 -1.468 -19.591 1.226 1.00 0.47 C ATOM 2155 CG ASP A 126 -1.973 -20.515 2.320 1.00 1.37 C ATOM 2156 OD1 ASP A 126 -1.144 -21.205 2.948 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -3.201 -20.556 2.557 1.00 1.81 O ATOM 0 H ASP A 126 0.619 -19.302 2.596 1.00 0.44 H new ATOM 0 HA ASP A 126 -0.814 -17.588 0.884 1.00 0.43 H new ATOM 0 HB2 ASP A 126 -2.265 -19.430 0.500 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -0.650 -20.080 0.698 1.00 0.47 H new ATOM 2162 N ALA A 127 -2.077 -17.948 3.907 1.00 0.38 N ATOM 2163 CA ALA A 127 -3.013 -17.351 4.851 1.00 0.37 C ATOM 2164 C ALA A 127 -2.734 -15.863 5.017 1.00 0.33 C ATOM 2165 O ALA A 127 -3.650 -15.067 5.213 1.00 0.34 O ATOM 2166 CB ALA A 127 -2.948 -18.062 6.192 1.00 0.42 C ATOM 0 H ALA A 127 -1.466 -18.659 4.309 1.00 0.38 H new ATOM 0 HA ALA A 127 -4.021 -17.466 4.452 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -3.654 -17.601 6.883 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -3.204 -19.113 6.059 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -1.939 -17.982 6.598 1.00 0.42 H new ATOM 2172 N GLY A 128 -1.462 -15.493 4.916 1.00 0.31 N ATOM 2173 CA GLY A 128 -1.084 -14.096 4.996 1.00 0.31 C ATOM 2174 C GLY A 128 -1.524 -13.329 3.766 1.00 0.29 C ATOM 2175 O GLY A 128 -1.941 -12.177 3.857 1.00 0.30 O ATOM 0 H GLY A 128 -0.684 -16.139 4.780 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -1.530 -13.648 5.884 1.00 0.31 H new ATOM 0 HA3 GLY A 128 -0.003 -14.017 5.108 1.00 0.31 H new ATOM 2179 N LYS A 129 -1.447 -13.983 2.614 1.00 0.32 N ATOM 2180 CA LYS A 129 -1.869 -13.374 1.360 1.00 0.39 C ATOM 2181 C LYS A 129 -3.373 -13.130 1.368 1.00 0.35 C ATOM 2182 O LYS A 129 -3.849 -12.071 0.954 1.00 0.36 O ATOM 2183 CB LYS A 129 -1.497 -14.274 0.179 1.00 0.56 C ATOM 2184 CG LYS A 129 -0.001 -14.373 -0.064 1.00 0.58 C ATOM 2185 CD LYS A 129 0.321 -15.365 -1.168 1.00 0.59 C ATOM 2186 CE LYS A 129 1.807 -15.380 -1.483 1.00 0.94 C ATOM 2187 NZ LYS A 129 2.179 -16.479 -2.411 1.00 1.32 N ATOM 0 H LYS A 129 -1.096 -14.936 2.523 1.00 0.32 H new ATOM 0 HA LYS A 129 -1.356 -12.418 1.253 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -1.895 -15.273 0.356 1.00 0.56 H new ATOM 0 HB3 LYS A 129 -1.978 -13.894 -0.722 1.00 0.56 H new ATOM 0 HG2 LYS A 129 0.391 -13.391 -0.330 1.00 0.58 H new ATOM 0 HG3 LYS A 129 0.498 -14.677 0.856 1.00 0.58 H new ATOM 0 HD2 LYS A 129 0.001 -16.363 -0.868 1.00 0.59 H new ATOM 0 HD3 LYS A 129 -0.240 -15.107 -2.066 1.00 0.59 H new ATOM 0 HE2 LYS A 129 2.092 -14.424 -1.923 1.00 0.94 H new ATOM 0 HE3 LYS A 129 2.371 -15.484 -0.556 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 3.189 -16.406 -2.648 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 1.996 -17.395 -1.955 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 1.613 -16.406 -3.280 1.00 1.32 H new ATOM 2201 N ALA A 130 -4.113 -14.127 1.840 1.00 0.35 N ATOM 2202 CA ALA A 130 -5.562 -14.034 1.944 1.00 0.37 C ATOM 2203 C ALA A 130 -5.978 -12.991 2.972 1.00 0.33 C ATOM 2204 O ALA A 130 -6.975 -12.290 2.792 1.00 0.38 O ATOM 2205 CB ALA A 130 -6.150 -15.388 2.314 1.00 0.42 C ATOM 0 H ALA A 130 -3.728 -15.016 2.159 1.00 0.35 H new ATOM 0 HA ALA A 130 -5.947 -13.726 0.972 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -7.234 -15.306 2.389 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -5.894 -16.118 1.546 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -5.744 -15.711 3.272 1.00 0.42 H new ATOM 2211 N ASP A 131 -5.209 -12.883 4.049 1.00 0.29 N ATOM 2212 CA ASP A 131 -5.554 -11.966 5.130 1.00 0.29 C ATOM 2213 C ASP A 131 -5.263 -10.534 4.712 1.00 0.27 C ATOM 2214 O ASP A 131 -5.912 -9.593 5.164 1.00 0.30 O ATOM 2215 CB ASP A 131 -4.796 -12.341 6.404 1.00 0.30 C ATOM 2216 CG ASP A 131 -5.196 -11.520 7.612 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -6.403 -11.473 7.931 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -4.316 -10.873 8.210 1.00 0.45 O ATOM 0 H ASP A 131 -4.350 -13.413 4.197 1.00 0.29 H new ATOM 0 HA ASP A 131 -6.620 -12.045 5.341 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -4.965 -13.396 6.620 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -3.727 -12.219 6.230 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.299 -10.373 3.824 1.00 0.24 N ATOM 2224 CA PHE A 132 -4.043 -9.079 3.213 1.00 0.22 C ATOM 2225 C PHE A 132 -5.238 -8.653 2.362 1.00 0.23 C ATOM 2226 O PHE A 132 -5.536 -7.467 2.243 1.00 0.25 O ATOM 2227 CB PHE A 132 -2.773 -9.134 2.356 1.00 0.23 C ATOM 2228 CG PHE A 132 -2.402 -7.816 1.739 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -1.847 -6.808 2.512 1.00 0.33 C ATOM 2230 CD2 PHE A 132 -2.611 -7.584 0.389 1.00 0.26 C ATOM 2231 CE1 PHE A 132 -1.507 -5.592 1.950 1.00 0.39 C ATOM 2232 CE2 PHE A 132 -2.271 -6.371 -0.178 1.00 0.30 C ATOM 2233 CZ PHE A 132 -1.719 -5.374 0.602 1.00 0.36 C ATOM 0 H PHE A 132 -3.680 -11.120 3.509 1.00 0.24 H new ATOM 0 HA PHE A 132 -3.895 -8.343 4.004 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -1.944 -9.482 2.973 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -2.912 -9.870 1.564 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -1.678 -6.975 3.566 1.00 0.33 H new ATOM 0 HD2 PHE A 132 -3.044 -8.359 -0.226 1.00 0.26 H new ATOM 0 HE1 PHE A 132 -1.077 -4.814 2.563 1.00 0.39 H new ATOM 0 HE2 PHE A 132 -2.437 -6.202 -1.232 1.00 0.30 H new ATOM 0 HZ PHE A 132 -1.453 -4.425 0.159 1.00 0.36 H new ATOM 2243 N GLY A 133 -5.938 -9.636 1.803 1.00 0.22 N ATOM 2244 CA GLY A 133 -7.041 -9.361 0.899 1.00 0.24 C ATOM 2245 C GLY A 133 -8.261 -8.771 1.579 1.00 0.23 C ATOM 2246 O GLY A 133 -9.048 -8.072 0.942 1.00 0.27 O ATOM 0 H GLY A 133 -5.758 -10.627 1.962 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.701 -8.673 0.125 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -7.328 -10.286 0.399 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.431 -9.048 2.863 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.581 -8.549 3.591 1.00 0.29 C ATOM 2252 C LYS A 134 -9.327 -7.149 4.130 1.00 0.30 C ATOM 2253 O LYS A 134 -10.242 -6.336 4.251 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.942 -9.500 4.729 1.00 0.34 C ATOM 2255 CG LYS A 134 -8.765 -9.992 5.544 1.00 0.63 C ATOM 2256 CD LYS A 134 -9.197 -10.997 6.600 1.00 1.29 C ATOM 2257 CE LYS A 134 -9.709 -12.288 5.978 1.00 1.61 C ATOM 2258 NZ LYS A 134 -10.183 -13.248 7.010 1.00 2.43 N ATOM 0 H LYS A 134 -7.789 -9.613 3.418 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.420 -8.494 2.898 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -10.642 -8.997 5.396 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.463 -10.362 4.312 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -8.030 -10.451 4.883 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -8.275 -9.145 6.025 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -8.355 -11.219 7.256 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -9.978 -10.558 7.221 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -10.524 -12.062 5.290 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -8.915 -12.749 5.391 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -10.524 -14.115 6.547 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -9.399 -13.483 7.651 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -10.958 -12.818 7.554 1.00 2.43 H new ATOM 2272 N GLN A 135 -8.077 -6.882 4.463 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.695 -5.590 5.016 1.00 0.31 C ATOM 2274 C GLN A 135 -7.351 -4.607 3.900 1.00 0.30 C ATOM 2275 O GLN A 135 -7.756 -3.447 3.945 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.528 -5.748 6.000 1.00 0.33 C ATOM 2277 CG GLN A 135 -6.722 -6.877 7.011 1.00 0.51 C ATOM 2278 CD GLN A 135 -8.105 -6.913 7.649 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -8.589 -7.973 8.040 1.00 1.83 O ATOM 2280 NE2 GLN A 135 -8.758 -5.767 7.751 1.00 0.75 N ATOM 0 H GLN A 135 -7.306 -7.542 4.361 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.544 -5.184 5.567 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.613 -5.930 5.437 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -6.390 -4.810 6.539 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -6.538 -7.830 6.514 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -5.974 -6.778 7.797 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -8.329 -4.904 7.417 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -9.691 -5.746 8.164 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.637 -5.074 2.887 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.326 -4.246 1.726 1.00 0.26 C ATOM 2291 C PHE A 136 -6.797 -4.927 0.443 1.00 0.23 C ATOM 2292 O PHE A 136 -5.990 -5.454 -0.327 1.00 0.24 O ATOM 2293 CB PHE A 136 -4.827 -3.940 1.646 1.00 0.31 C ATOM 2294 CG PHE A 136 -4.390 -2.819 2.547 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -4.847 -1.528 2.328 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.527 -3.047 3.608 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -4.452 -0.490 3.147 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -3.131 -2.013 4.426 1.00 0.37 C ATOM 2299 CZ PHE A 136 -3.592 -0.735 4.198 1.00 0.58 C ATOM 0 H PHE A 136 -6.261 -6.021 2.843 1.00 0.26 H new ATOM 0 HA PHE A 136 -6.857 -3.301 1.839 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.267 -4.840 1.902 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.571 -3.688 0.617 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -5.520 -1.333 1.506 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.162 -4.046 3.795 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -4.815 0.511 2.966 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -2.457 -2.204 5.248 1.00 0.37 H new ATOM 0 HZ PHE A 136 -3.281 0.075 4.841 1.00 0.58 H new ATOM 2309 N PRO A 137 -8.119 -4.903 0.188 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.731 -5.606 -0.946 1.00 0.30 C ATOM 2311 C PRO A 137 -8.240 -5.090 -2.292 1.00 0.29 C ATOM 2312 O PRO A 137 -7.962 -5.871 -3.198 1.00 0.30 O ATOM 2313 CB PRO A 137 -10.233 -5.325 -0.786 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.397 -4.890 0.629 1.00 0.63 C ATOM 2315 CD PRO A 137 -9.125 -4.183 0.986 1.00 0.34 C ATOM 0 HA PRO A 137 -8.479 -6.666 -0.938 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.565 -4.551 -1.478 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -10.825 -6.216 -0.996 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -11.256 -4.229 0.738 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -10.567 -5.744 1.284 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -9.164 -3.125 0.728 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -8.914 -4.244 2.054 1.00 0.34 H new ATOM 2323 N PHE A 138 -8.118 -3.769 -2.405 1.00 0.32 N ATOM 2324 CA PHE A 138 -7.716 -3.130 -3.654 1.00 0.36 C ATOM 2325 C PHE A 138 -6.355 -3.639 -4.118 1.00 0.35 C ATOM 2326 O PHE A 138 -6.166 -3.951 -5.292 1.00 0.36 O ATOM 2327 CB PHE A 138 -7.668 -1.609 -3.479 1.00 0.43 C ATOM 2328 CG PHE A 138 -7.432 -0.851 -4.757 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -6.146 -0.635 -5.230 1.00 1.56 C ATOM 2330 CD2 PHE A 138 -8.499 -0.350 -5.483 1.00 1.21 C ATOM 2331 CE1 PHE A 138 -5.932 0.066 -6.402 1.00 2.23 C ATOM 2332 CE2 PHE A 138 -8.290 0.354 -6.654 1.00 1.88 C ATOM 2333 CZ PHE A 138 -7.006 0.561 -7.113 1.00 2.31 C ATOM 0 H PHE A 138 -8.293 -3.117 -1.640 1.00 0.32 H new ATOM 0 HA PHE A 138 -8.456 -3.383 -4.414 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -8.608 -1.275 -3.039 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -6.878 -1.360 -2.770 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -5.302 -1.019 -4.676 1.00 1.56 H new ATOM 0 HD2 PHE A 138 -9.507 -0.511 -5.130 1.00 1.21 H new ATOM 0 HE1 PHE A 138 -4.926 0.226 -6.761 1.00 2.23 H new ATOM 0 HE2 PHE A 138 -9.131 0.742 -7.209 1.00 1.88 H new ATOM 0 HZ PHE A 138 -6.841 1.110 -8.028 1.00 2.31 H new ATOM 2343 N LEU A 139 -5.413 -3.730 -3.192 1.00 0.35 N ATOM 2344 CA LEU A 139 -4.064 -4.150 -3.536 1.00 0.36 C ATOM 2345 C LEU A 139 -4.007 -5.654 -3.771 1.00 0.33 C ATOM 2346 O LEU A 139 -3.383 -6.106 -4.727 1.00 0.35 O ATOM 2347 CB LEU A 139 -3.071 -3.726 -2.452 1.00 0.40 C ATOM 2348 CG LEU A 139 -2.886 -2.214 -2.297 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -1.952 -1.905 -1.138 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -2.353 -1.606 -3.589 1.00 0.86 C ATOM 0 H LEU A 139 -5.556 -3.520 -2.204 1.00 0.35 H new ATOM 0 HA LEU A 139 -3.781 -3.655 -4.465 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -3.402 -4.136 -1.498 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -2.102 -4.174 -2.673 1.00 0.40 H new ATOM 0 HG LEU A 139 -3.858 -1.770 -2.082 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -1.833 -0.826 -1.044 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -2.372 -2.305 -0.215 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -0.980 -2.362 -1.322 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -2.228 -0.531 -3.461 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -1.391 -2.057 -3.834 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -3.058 -1.795 -4.398 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.681 -6.423 -2.922 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.739 -7.874 -3.100 1.00 0.28 C ATOM 2364 C ALA A 140 -5.341 -8.207 -4.459 1.00 0.28 C ATOM 2365 O ALA A 140 -4.874 -9.107 -5.157 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.544 -8.517 -1.987 1.00 0.25 C ATOM 0 H ALA A 140 -5.191 -6.073 -2.111 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.726 -8.273 -3.058 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.575 -9.596 -2.137 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -5.077 -8.298 -1.027 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.559 -8.120 -1.996 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.371 -7.451 -4.815 1.00 0.26 N ATOM 2373 CA LYS A 141 -6.982 -7.495 -6.136 1.00 0.27 C ATOM 2374 C LYS A 141 -5.924 -7.460 -7.237 1.00 0.29 C ATOM 2375 O LYS A 141 -5.709 -8.445 -7.948 1.00 0.30 O ATOM 2376 CB LYS A 141 -7.902 -6.281 -6.289 1.00 0.28 C ATOM 2377 CG LYS A 141 -8.750 -6.300 -7.547 1.00 0.36 C ATOM 2378 CD LYS A 141 -9.651 -5.080 -7.611 1.00 1.15 C ATOM 2379 CE LYS A 141 -10.600 -5.153 -8.792 1.00 1.76 C ATOM 2380 NZ LYS A 141 -11.482 -3.962 -8.866 1.00 2.58 N ATOM 0 H LYS A 141 -6.812 -6.781 -4.185 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.544 -8.424 -6.231 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.560 -6.226 -5.421 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.295 -5.376 -6.287 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -8.105 -6.327 -8.425 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -9.356 -7.206 -7.569 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -10.224 -5.000 -6.687 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -9.042 -4.180 -7.687 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -10.026 -5.238 -9.715 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -11.210 -6.053 -8.713 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -12.116 -4.050 -9.686 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -12.048 -3.895 -7.996 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -10.901 -3.105 -8.967 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.259 -6.315 -7.360 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.284 -6.092 -8.414 1.00 0.36 C ATOM 2396 C VAL A 142 -3.093 -7.040 -8.322 1.00 0.37 C ATOM 2397 O VAL A 142 -2.478 -7.360 -9.342 1.00 0.44 O ATOM 2398 CB VAL A 142 -3.791 -4.631 -8.416 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -4.958 -3.680 -8.255 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -2.757 -4.391 -7.339 1.00 0.48 C ATOM 0 H VAL A 142 -5.383 -5.520 -6.733 1.00 0.31 H new ATOM 0 HA VAL A 142 -4.798 -6.298 -9.353 1.00 0.36 H new ATOM 0 HB VAL A 142 -3.314 -4.443 -9.378 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -4.593 -2.653 -8.258 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -5.657 -3.819 -9.079 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.465 -3.882 -7.311 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -2.433 -3.351 -7.371 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -3.192 -4.606 -6.363 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -1.900 -5.043 -7.506 1.00 0.48 H new ATOM 2404 N PHE A 143 -2.759 -7.492 -7.119 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.618 -8.388 -6.967 1.00 0.36 C ATOM 2406 C PHE A 143 -1.952 -9.777 -7.496 1.00 0.40 C ATOM 2407 O PHE A 143 -1.208 -10.335 -8.298 1.00 0.47 O ATOM 2408 CB PHE A 143 -1.137 -8.488 -5.511 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.529 -7.229 -4.955 1.00 0.34 C ATOM 2410 CD1 PHE A 143 0.205 -6.385 -5.772 1.00 0.47 C ATOM 2411 CD2 PHE A 143 -0.690 -6.886 -3.623 1.00 0.58 C ATOM 2412 CE1 PHE A 143 0.767 -5.228 -5.272 1.00 0.47 C ATOM 2413 CE2 PHE A 143 -0.131 -5.729 -3.118 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.585 -4.904 -3.916 1.00 0.39 C ATOM 0 H PHE A 143 -3.248 -7.261 -6.254 1.00 0.33 H new ATOM 0 HA PHE A 143 -0.805 -7.960 -7.553 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -1.982 -8.774 -4.884 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.402 -9.290 -5.441 1.00 0.36 H new ATOM 0 HD1 PHE A 143 0.339 -6.636 -6.814 1.00 0.47 H new ATOM 0 HD2 PHE A 143 -1.260 -7.532 -2.971 1.00 0.58 H new ATOM 0 HE1 PHE A 143 1.341 -4.578 -5.916 1.00 0.47 H new ATOM 0 HE2 PHE A 143 -0.267 -5.480 -2.076 1.00 0.62 H new ATOM 0 HZ PHE A 143 1.015 -3.999 -3.513 1.00 0.39 H new ATOM 2424 N GLU A 144 -3.086 -10.320 -7.067 1.00 0.41 N ATOM 2425 CA GLU A 144 -3.462 -11.679 -7.440 1.00 0.45 C ATOM 2426 C GLU A 144 -3.885 -11.759 -8.900 1.00 0.45 C ATOM 2427 O GLU A 144 -3.682 -12.781 -9.558 1.00 0.54 O ATOM 2428 CB GLU A 144 -4.585 -12.200 -6.547 1.00 0.47 C ATOM 2429 CG GLU A 144 -4.204 -12.269 -5.081 1.00 0.60 C ATOM 2430 CD GLU A 144 -5.222 -13.013 -4.249 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -5.151 -14.258 -4.193 1.00 1.55 O ATOM 2432 OE2 GLU A 144 -6.092 -12.362 -3.639 1.00 2.58 O ATOM 0 H GLU A 144 -3.757 -9.844 -6.464 1.00 0.41 H new ATOM 0 HA GLU A 144 -2.581 -12.306 -7.302 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -5.457 -11.555 -6.658 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -4.878 -13.194 -6.886 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -3.235 -12.758 -4.984 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -4.091 -11.257 -4.691 1.00 0.60 H new ATOM 2439 N SER A 145 -4.486 -10.687 -9.402 1.00 0.43 N ATOM 2440 CA SER A 145 -4.915 -10.642 -10.791 1.00 0.49 C ATOM 2441 C SER A 145 -3.708 -10.539 -11.721 1.00 0.57 C ATOM 2442 O SER A 145 -3.750 -10.977 -12.873 1.00 1.32 O ATOM 2443 CB SER A 145 -5.865 -9.459 -11.012 1.00 0.50 C ATOM 2444 OG SER A 145 -6.441 -9.491 -12.307 1.00 1.29 O ATOM 0 H SER A 145 -4.686 -9.841 -8.869 1.00 0.43 H new ATOM 0 HA SER A 145 -5.447 -11.565 -11.022 1.00 0.49 H new ATOM 0 HB2 SER A 145 -6.654 -9.480 -10.261 1.00 0.50 H new ATOM 0 HB3 SER A 145 -5.321 -8.524 -10.877 1.00 0.50 H new ATOM 0 HG SER A 145 -7.043 -8.725 -12.416 1.00 1.29 H new ATOM 2450 N GLY A 146 -2.623 -9.974 -11.207 1.00 0.79 N ATOM 2451 CA GLY A 146 -1.422 -9.826 -12.002 1.00 0.78 C ATOM 2452 C GLY A 146 -1.298 -8.445 -12.597 1.00 0.70 C ATOM 2453 O GLY A 146 -0.401 -8.182 -13.391 1.00 1.09 O ATOM 0 H GLY A 146 -2.554 -9.616 -10.254 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -0.550 -10.032 -11.381 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -1.425 -10.566 -12.803 1.00 0.78 H new ATOM 2457 N LYS A 147 -2.198 -7.559 -12.196 1.00 0.54 N ATOM 2458 CA LYS A 147 -2.210 -6.189 -12.690 1.00 0.48 C ATOM 2459 C LYS A 147 -0.932 -5.461 -12.282 1.00 0.40 C ATOM 2460 O LYS A 147 -0.268 -4.836 -13.110 1.00 0.45 O ATOM 2461 CB LYS A 147 -3.437 -5.462 -12.141 1.00 0.54 C ATOM 2462 CG LYS A 147 -3.577 -4.029 -12.619 1.00 0.83 C ATOM 2463 CD LYS A 147 -4.803 -3.373 -12.009 1.00 1.15 C ATOM 2464 CE LYS A 147 -4.949 -1.928 -12.450 1.00 1.55 C ATOM 2465 NZ LYS A 147 -5.072 -1.796 -13.923 1.00 1.98 N ATOM 0 H LYS A 147 -2.936 -7.767 -11.523 1.00 0.54 H new ATOM 0 HA LYS A 147 -2.258 -6.203 -13.779 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -4.331 -6.017 -12.425 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -3.391 -5.467 -11.052 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -2.685 -3.463 -12.351 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -3.652 -4.009 -13.706 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -5.694 -3.932 -12.295 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -4.735 -3.416 -10.922 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -5.828 -1.493 -11.974 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -4.086 -1.357 -12.108 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -5.619 -0.941 -14.150 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -4.124 -1.724 -14.345 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -5.559 -2.631 -14.307 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.585 -5.557 -11.004 1.00 0.33 N ATOM 2480 CA ALA A 148 0.646 -4.957 -10.504 1.00 0.29 C ATOM 2481 C ALA A 148 1.849 -5.729 -11.018 1.00 0.31 C ATOM 2482 O ALA A 148 2.902 -5.154 -11.296 1.00 0.34 O ATOM 2483 CB ALA A 148 0.650 -4.929 -8.986 1.00 0.33 C ATOM 0 H ALA A 148 -1.137 -6.043 -10.297 1.00 0.33 H new ATOM 0 HA ALA A 148 0.703 -3.931 -10.867 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.577 -4.478 -8.633 1.00 0.33 H new ATOM 0 HB2 ALA A 148 -0.197 -4.343 -8.631 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.573 -5.947 -8.603 1.00 0.33 H new ATOM 2489 N ALA A 149 1.679 -7.041 -11.140 1.00 0.35 N ATOM 2490 CA ALA A 149 2.720 -7.903 -11.671 1.00 0.41 C ATOM 2491 C ALA A 149 3.106 -7.467 -13.079 1.00 0.43 C ATOM 2492 O ALA A 149 4.268 -7.197 -13.352 1.00 0.51 O ATOM 2493 CB ALA A 149 2.262 -9.352 -11.663 1.00 0.48 C ATOM 0 H ALA A 149 0.824 -7.530 -10.876 1.00 0.35 H new ATOM 0 HA ALA A 149 3.601 -7.818 -11.034 1.00 0.41 H new ATOM 0 HB1 ALA A 149 3.053 -9.986 -12.064 1.00 0.48 H new ATOM 0 HB2 ALA A 149 2.036 -9.656 -10.641 1.00 0.48 H new ATOM 0 HB3 ALA A 149 1.368 -9.454 -12.278 1.00 0.48 H new ATOM 2499 N LYS A 150 2.111 -7.374 -13.950 1.00 0.41 N ATOM 2500 CA LYS A 150 2.315 -6.966 -15.338 1.00 0.46 C ATOM 2501 C LYS A 150 3.089 -5.651 -15.424 1.00 0.45 C ATOM 2502 O LYS A 150 3.979 -5.497 -16.260 1.00 0.59 O ATOM 2503 CB LYS A 150 0.965 -6.820 -16.035 1.00 0.53 C ATOM 2504 CG LYS A 150 1.070 -6.530 -17.520 1.00 1.16 C ATOM 2505 CD LYS A 150 1.722 -7.682 -18.268 1.00 1.45 C ATOM 2506 CE LYS A 150 1.694 -7.452 -19.769 1.00 1.96 C ATOM 2507 NZ LYS A 150 0.308 -7.259 -20.272 1.00 2.82 N ATOM 0 H LYS A 150 1.139 -7.579 -13.717 1.00 0.41 H new ATOM 0 HA LYS A 150 2.904 -7.736 -15.835 1.00 0.46 H new ATOM 0 HB2 LYS A 150 0.393 -7.737 -15.893 1.00 0.53 H new ATOM 0 HB3 LYS A 150 0.405 -6.017 -15.556 1.00 0.53 H new ATOM 0 HG2 LYS A 150 0.076 -6.347 -17.927 1.00 1.16 H new ATOM 0 HG3 LYS A 150 1.650 -5.620 -17.674 1.00 1.16 H new ATOM 0 HD2 LYS A 150 2.753 -7.797 -17.935 1.00 1.45 H new ATOM 0 HD3 LYS A 150 1.205 -8.612 -18.031 1.00 1.45 H new ATOM 0 HE2 LYS A 150 2.295 -6.576 -20.014 1.00 1.96 H new ATOM 0 HE3 LYS A 150 2.149 -8.303 -20.276 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 0.197 -7.751 -21.181 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 -0.368 -7.647 -19.584 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 0.125 -6.244 -20.403 1.00 2.82 H new ATOM 2521 N PHE A 151 2.740 -4.716 -14.549 1.00 0.35 N ATOM 2522 CA PHE A 151 3.406 -3.418 -14.476 1.00 0.36 C ATOM 2523 C PHE A 151 4.918 -3.579 -14.275 1.00 0.40 C ATOM 2524 O PHE A 151 5.719 -2.939 -14.959 1.00 0.46 O ATOM 2525 CB PHE A 151 2.805 -2.611 -13.320 1.00 0.34 C ATOM 2526 CG PHE A 151 3.169 -1.153 -13.335 1.00 0.33 C ATOM 2527 CD1 PHE A 151 4.303 -0.707 -12.679 1.00 0.43 C ATOM 2528 CD2 PHE A 151 2.381 -0.232 -14.003 1.00 0.46 C ATOM 2529 CE1 PHE A 151 4.645 0.630 -12.689 1.00 0.44 C ATOM 2530 CE2 PHE A 151 2.717 1.106 -14.014 1.00 0.49 C ATOM 2531 CZ PHE A 151 3.831 1.544 -13.364 1.00 0.39 C ATOM 0 H PHE A 151 1.988 -4.834 -13.870 1.00 0.35 H new ATOM 0 HA PHE A 151 3.251 -2.892 -15.418 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.719 -2.704 -13.352 1.00 0.34 H new ATOM 0 HB3 PHE A 151 3.134 -3.047 -12.377 1.00 0.34 H new ATOM 0 HD1 PHE A 151 4.928 -1.414 -12.153 1.00 0.43 H new ATOM 0 HD2 PHE A 151 1.494 -0.564 -14.521 1.00 0.46 H new ATOM 0 HE1 PHE A 151 5.535 0.968 -12.179 1.00 0.44 H new ATOM 0 HE2 PHE A 151 2.092 1.811 -14.542 1.00 0.49 H new ATOM 0 HZ PHE A 151 4.084 2.594 -13.370 1.00 0.39 H new ATOM 2541 N ALA A 152 5.292 -4.450 -13.349 1.00 0.39 N ATOM 2542 CA ALA A 152 6.695 -4.668 -12.996 1.00 0.44 C ATOM 2543 C ALA A 152 7.380 -5.691 -13.892 1.00 0.52 C ATOM 2544 O ALA A 152 8.601 -5.838 -13.842 1.00 0.59 O ATOM 2545 CB ALA A 152 6.798 -5.131 -11.554 1.00 0.44 C ATOM 0 H ALA A 152 4.637 -5.026 -12.820 1.00 0.39 H new ATOM 0 HA ALA A 152 7.204 -3.714 -13.135 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.845 -5.292 -11.297 1.00 0.44 H new ATOM 0 HB2 ALA A 152 6.376 -4.371 -10.897 1.00 0.44 H new ATOM 0 HB3 ALA A 152 6.247 -6.064 -11.431 1.00 0.44 H new ATOM 2551 N GLY A 153 6.612 -6.390 -14.713 1.00 0.65 N ATOM 2552 CA GLY A 153 7.173 -7.486 -15.479 1.00 0.84 C ATOM 2553 C GLY A 153 7.206 -8.756 -14.657 1.00 1.06 C ATOM 2554 O GLY A 153 8.063 -9.620 -14.855 1.00 1.62 O ATOM 0 H GLY A 153 5.617 -6.221 -14.863 1.00 0.65 H new ATOM 0 HA2 GLY A 153 6.581 -7.646 -16.380 1.00 0.84 H new ATOM 0 HA3 GLY A 153 8.182 -7.230 -15.802 1.00 0.84 H new