USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=40 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 45 THR OG1 : rot -140:sc= 0 USER MOD Set 1.2: A 67 HIS : no HD1:sc= -0.914 X(o=-0.91,f=-0.8) USER MOD Set 2.1: A 43 LYS NZ :NH3+ 167:sc= 1.2 (180deg=-0.0957) USER MOD Set 2.2: A 44 ASN : amide:sc= -2.32! C(o=-1.1!,f=-7.8!) USER MOD Set 3.1: A 10 TYR OH : rot 30:sc= 0.895 USER MOD Set 3.2: A 96 LYS NZ :NH3+ -163:sc= 1.78 (180deg=0.846) USER MOD Set 4.1: A 3 TYR OH : rot 180:sc= 0.0162 USER MOD Set 4.2: A 14 MET CE :methyl 180:sc= -0.7 (180deg=-0.7) USER MOD Single : A 1 PHE N :NH3+ -111:sc= 0.0584 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 166:sc= -0.0545 (180deg=-0.279) USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 24 ASN : amide:sc= 1.21 K(o=1.2,f=-0.032) USER MOD Single : A 26 SER OG : rot 69:sc= 0.836 USER MOD Single : A 30 LYS NZ :NH3+ -139:sc= 0.139 (180deg=-0.604) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= 1.15 (180deg=0.928) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 153:sc= 0.94 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -140:sc= 1.16 (180deg=0.406) USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -0.0288 (180deg=-0.252) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.143 USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= 0.68 (180deg=0.573) USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= -0.026 (180deg=-0.267) USER MOD Single : A 69 MET CE :methyl -142:sc= -1.47 (180deg=-2.48!) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.072) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.0494 (180deg=-0.278) USER MOD Single : A 82 LYS NZ :NH3+ 169:sc= 1.09 (180deg=1.03) USER MOD Single : A 87 LYS NZ :NH3+ -166:sc= -0.0221 (180deg=-0.219) USER MOD Single : A 88 SER OG : rot -78:sc= 1.13 USER MOD Single : A 99 TYR OH : rot -53:sc= 0.0914 USER MOD Single : A 100 TYR OH : rot 90:sc= 0.621 USER MOD Single : A 101 THR OG1 : rot 170:sc= -2.75! USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -163:sc= -0.702 (180deg=-1.82!) USER MOD Single : A 113 SER OG : rot -1:sc= -0.315! USER MOD Single : A 115 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.101) USER MOD Single : A 119 LYS NZ :NH3+ -140:sc= 1.27 (180deg=0.991) USER MOD Single : A 121 TYR OH : rot 30:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl -139:sc= -0.214 (180deg=-0.977) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 152:sc= 1.26 (180deg=0.597) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.45 K(o=-0.45,f=-1.9) 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+ 175:sc= 0.665 (180deg=0.481) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 1 3.020 19.649 -8.505 1.00 1.03 N ATOM 222 CA PHE A 1 2.650 18.531 -9.358 1.00 1.07 C ATOM 223 C PHE A 1 1.150 18.278 -9.257 1.00 0.89 C ATOM 224 O PHE A 1 0.508 18.652 -8.268 1.00 0.81 O ATOM 225 CB PHE A 1 3.447 17.268 -8.976 1.00 1.39 C ATOM 226 CG PHE A 1 2.808 16.401 -7.916 1.00 0.93 C ATOM 227 CD1 PHE A 1 2.842 16.789 -6.585 1.00 1.15 C ATOM 228 CD2 PHE A 1 2.169 15.216 -8.246 1.00 1.11 C ATOM 229 CE1 PHE A 1 2.256 16.013 -5.604 1.00 1.47 C ATOM 230 CE2 PHE A 1 1.578 14.437 -7.266 1.00 1.14 C ATOM 231 CZ PHE A 1 1.642 14.774 -5.985 1.00 1.31 C ATOM 0 H1 PHE A 1 3.299 20.458 -9.095 1.00 1.03 H new ATOM 0 H2 PHE A 1 2.209 19.917 -7.912 1.00 1.03 H new ATOM 0 H3 PHE A 1 3.817 19.373 -7.897 1.00 1.03 H new ATOM 0 HA PHE A 1 2.894 18.779 -10.391 1.00 1.07 H new ATOM 0 HB2 PHE A 1 3.597 16.667 -9.873 1.00 1.39 H new ATOM 0 HB3 PHE A 1 4.434 17.572 -8.628 1.00 1.39 H new ATOM 0 HD1 PHE A 1 3.334 17.711 -6.312 1.00 1.15 H new ATOM 0 HD2 PHE A 1 2.132 14.897 -9.277 1.00 1.11 H new ATOM 0 HE1 PHE A 1 2.260 16.332 -4.572 1.00 1.47 H new ATOM 0 HE2 PHE A 1 1.054 13.536 -7.551 1.00 1.14 H new ATOM 0 HZ PHE A 1 1.233 14.118 -5.231 1.00 1.31 H new ATOM 241 N LYS A 2 0.590 17.661 -10.278 1.00 0.96 N ATOM 242 CA LYS A 2 -0.823 17.354 -10.291 1.00 0.98 C ATOM 243 C LYS A 2 -1.033 15.871 -10.053 1.00 1.01 C ATOM 244 O LYS A 2 -0.180 15.062 -10.418 1.00 1.42 O ATOM 245 CB LYS A 2 -1.455 17.768 -11.619 1.00 1.14 C ATOM 246 CG LYS A 2 -1.428 19.265 -11.874 1.00 1.62 C ATOM 247 CD LYS A 2 -2.293 20.020 -10.880 1.00 2.02 C ATOM 248 CE LYS A 2 -2.295 21.514 -11.161 1.00 2.67 C ATOM 249 NZ LYS A 2 -2.809 21.828 -12.522 1.00 3.15 N ATOM 0 H LYS A 2 1.096 17.362 -11.112 1.00 0.96 H new ATOM 0 HA LYS A 2 -1.306 17.916 -9.492 1.00 0.98 H new ATOM 0 HB2 LYS A 2 -0.934 17.262 -12.431 1.00 1.14 H new ATOM 0 HB3 LYS A 2 -2.489 17.424 -11.641 1.00 1.14 H new ATOM 0 HG2 LYS A 2 -0.402 19.626 -11.811 1.00 1.62 H new ATOM 0 HG3 LYS A 2 -1.776 19.468 -12.887 1.00 1.62 H new ATOM 0 HD2 LYS A 2 -3.314 19.640 -10.923 1.00 2.02 H new ATOM 0 HD3 LYS A 2 -1.928 19.840 -9.869 1.00 2.02 H new ATOM 0 HE2 LYS A 2 -2.908 22.021 -10.417 1.00 2.67 H new ATOM 0 HE3 LYS A 2 -1.282 21.903 -11.058 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 -3.017 22.845 -12.589 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 -2.092 21.574 -13.231 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 -3.678 21.285 -12.699 1.00 3.15 H new ATOM 263 N TYR A 3 -2.144 15.517 -9.438 1.00 0.91 N ATOM 264 CA TYR A 3 -2.426 14.125 -9.122 1.00 0.94 C ATOM 265 C TYR A 3 -2.341 13.247 -10.368 1.00 1.01 C ATOM 266 O TYR A 3 -1.715 12.184 -10.353 1.00 0.90 O ATOM 267 CB TYR A 3 -3.805 14.002 -8.477 1.00 1.02 C ATOM 268 CG TYR A 3 -4.272 12.577 -8.300 1.00 1.12 C ATOM 269 CD1 TYR A 3 -3.492 11.655 -7.620 1.00 1.31 C ATOM 270 CD2 TYR A 3 -5.494 12.156 -8.808 1.00 1.36 C ATOM 271 CE1 TYR A 3 -3.915 10.355 -7.449 1.00 1.62 C ATOM 272 CE2 TYR A 3 -5.927 10.859 -8.638 1.00 1.78 C ATOM 273 CZ TYR A 3 -5.124 9.955 -7.993 1.00 1.87 C ATOM 274 OH TYR A 3 -5.567 8.673 -7.773 1.00 2.35 O ATOM 0 H TYR A 3 -2.869 16.172 -9.146 1.00 0.91 H new ATOM 0 HA TYR A 3 -1.671 13.777 -8.416 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -3.785 14.491 -7.503 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -4.531 14.539 -9.088 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -2.537 11.960 -7.218 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -6.115 12.857 -9.345 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -3.309 9.654 -6.895 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -6.894 10.556 -9.011 1.00 1.78 H new ATOM 0 HH TYR A 3 -6.431 8.544 -8.218 1.00 2.35 H new ATOM 284 N GLU A 4 -2.941 13.710 -11.454 1.00 1.38 N ATOM 285 CA GLU A 4 -2.989 12.930 -12.679 1.00 1.74 C ATOM 286 C GLU A 4 -1.692 13.024 -13.483 1.00 1.24 C ATOM 287 O GLU A 4 -1.672 12.680 -14.666 1.00 1.52 O ATOM 288 CB GLU A 4 -4.172 13.362 -13.541 1.00 2.44 C ATOM 289 CG GLU A 4 -5.522 13.097 -12.899 1.00 3.05 C ATOM 290 CD GLU A 4 -6.667 13.474 -13.808 1.00 3.65 C ATOM 291 OE1 GLU A 4 -7.080 12.631 -14.632 1.00 4.16 O ATOM 292 OE2 GLU A 4 -7.146 14.621 -13.723 1.00 3.95 O ATOM 0 H GLU A 4 -3.400 14.619 -11.511 1.00 1.38 H new ATOM 0 HA GLU A 4 -3.115 11.888 -12.386 1.00 1.74 H new ATOM 0 HB2 GLU A 4 -4.084 14.427 -13.756 1.00 2.44 H new ATOM 0 HB3 GLU A 4 -4.125 12.839 -14.496 1.00 2.44 H new ATOM 0 HG2 GLU A 4 -5.598 12.041 -12.639 1.00 3.05 H new ATOM 0 HG3 GLU A 4 -5.597 13.660 -11.969 1.00 3.05 H new ATOM 299 N ASP A 5 -0.608 13.485 -12.861 1.00 0.71 N ATOM 300 CA ASP A 5 0.698 13.423 -13.513 1.00 0.73 C ATOM 301 C ASP A 5 1.315 12.063 -13.236 1.00 0.72 C ATOM 302 O ASP A 5 2.346 11.693 -13.801 1.00 0.90 O ATOM 303 CB ASP A 5 1.647 14.533 -13.040 1.00 1.07 C ATOM 304 CG ASP A 5 1.236 15.920 -13.495 1.00 1.83 C ATOM 305 OD1 ASP A 5 0.638 16.033 -14.586 1.00 2.15 O ATOM 306 OD2 ASP A 5 1.493 16.899 -12.762 1.00 2.57 O ATOM 0 H ASP A 5 -0.606 13.897 -11.928 1.00 0.71 H new ATOM 0 HA ASP A 5 0.549 13.571 -14.583 1.00 0.73 H new ATOM 0 HB2 ASP A 5 1.697 14.517 -11.951 1.00 1.07 H new ATOM 0 HB3 ASP A 5 2.651 14.322 -13.408 1.00 1.07 H new ATOM 311 N ILE A 6 0.662 11.323 -12.355 1.00 0.58 N ATOM 312 CA ILE A 6 1.064 9.970 -12.027 1.00 0.55 C ATOM 313 C ILE A 6 0.442 9.009 -13.035 1.00 0.54 C ATOM 314 O ILE A 6 -0.760 9.087 -13.291 1.00 0.58 O ATOM 315 CB ILE A 6 0.597 9.596 -10.603 1.00 0.55 C ATOM 316 CG1 ILE A 6 1.073 10.647 -9.597 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.109 8.213 -10.214 1.00 0.56 C ATOM 318 CD1 ILE A 6 0.483 10.475 -8.216 1.00 0.69 C ATOM 0 H ILE A 6 -0.162 11.646 -11.848 1.00 0.58 H new ATOM 0 HA ILE A 6 2.151 9.902 -12.065 1.00 0.55 H new ATOM 0 HB ILE A 6 -0.493 9.571 -10.592 1.00 0.55 H new ATOM 0 HG12 ILE A 6 2.160 10.604 -9.526 1.00 0.63 H new ATOM 0 HG13 ILE A 6 0.817 11.638 -9.971 1.00 0.63 H new ATOM 0 HG21 ILE A 6 0.769 7.969 -9.208 1.00 0.56 H new ATOM 0 HG22 ILE A 6 0.726 7.472 -10.916 1.00 0.56 H new ATOM 0 HG23 ILE A 6 2.199 8.208 -10.240 1.00 0.56 H new ATOM 0 HD11 ILE A 6 0.865 11.255 -7.557 1.00 0.69 H new ATOM 0 HD12 ILE A 6 -0.603 10.548 -8.273 1.00 0.69 H new ATOM 0 HD13 ILE A 6 0.761 9.498 -7.821 1.00 0.69 H new ATOM 325 N PRO A 7 1.257 8.120 -13.640 1.00 0.53 N ATOM 326 CA PRO A 7 0.786 7.127 -14.614 1.00 0.55 C ATOM 327 C PRO A 7 -0.526 6.473 -14.191 1.00 0.53 C ATOM 328 O PRO A 7 -0.583 5.761 -13.184 1.00 0.52 O ATOM 329 CB PRO A 7 1.919 6.106 -14.631 1.00 0.55 C ATOM 330 CG PRO A 7 3.140 6.915 -14.366 1.00 0.60 C ATOM 331 CD PRO A 7 2.716 8.019 -13.428 1.00 0.54 C ATOM 0 HA PRO A 7 0.573 7.569 -15.587 1.00 0.55 H new ATOM 0 HB2 PRO A 7 1.776 5.339 -13.870 1.00 0.55 H new ATOM 0 HB3 PRO A 7 1.980 5.594 -15.592 1.00 0.55 H new ATOM 0 HG2 PRO A 7 3.923 6.303 -13.919 1.00 0.60 H new ATOM 0 HG3 PRO A 7 3.545 7.324 -15.292 1.00 0.60 H new ATOM 0 HD2 PRO A 7 2.954 7.777 -12.392 1.00 0.54 H new ATOM 0 HD3 PRO A 7 3.220 8.957 -13.660 1.00 0.54 H new ATOM 339 N ALA A 8 -1.575 6.722 -14.970 1.00 0.55 N ATOM 340 CA ALA A 8 -2.922 6.274 -14.631 1.00 0.54 C ATOM 341 C ALA A 8 -3.006 4.759 -14.521 1.00 0.55 C ATOM 342 O ALA A 8 -3.879 4.233 -13.827 1.00 0.56 O ATOM 343 CB ALA A 8 -3.926 6.785 -15.653 1.00 0.57 C ATOM 0 H ALA A 8 -1.516 7.237 -15.849 1.00 0.55 H new ATOM 0 HA ALA A 8 -3.166 6.689 -13.653 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.925 6.442 -15.385 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -3.908 7.875 -15.667 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -3.665 6.405 -16.641 1.00 0.57 H new ATOM 349 N ASP A 9 -2.092 4.061 -15.187 1.00 0.55 N ATOM 350 CA ASP A 9 -2.087 2.605 -15.159 1.00 0.57 C ATOM 351 C ASP A 9 -1.787 2.111 -13.748 1.00 0.54 C ATOM 352 O ASP A 9 -2.338 1.120 -13.281 1.00 0.55 O ATOM 353 CB ASP A 9 -1.046 2.062 -16.137 1.00 0.61 C ATOM 354 CG ASP A 9 -1.140 0.562 -16.314 1.00 0.93 C ATOM 355 OD1 ASP A 9 -2.236 0.060 -16.632 1.00 1.33 O ATOM 356 OD2 ASP A 9 -0.122 -0.131 -16.103 1.00 1.37 O ATOM 0 H ASP A 9 -1.350 4.478 -15.749 1.00 0.55 H new ATOM 0 HA ASP A 9 -3.071 2.244 -15.458 1.00 0.57 H new ATOM 0 HB2 ASP A 9 -1.174 2.547 -17.105 1.00 0.61 H new ATOM 0 HB3 ASP A 9 -0.049 2.320 -15.781 1.00 0.61 H new ATOM 361 N TYR A 10 -0.917 2.857 -13.072 1.00 0.52 N ATOM 362 CA TYR A 10 -0.476 2.544 -11.717 1.00 0.50 C ATOM 363 C TYR A 10 -1.489 3.036 -10.686 1.00 0.49 C ATOM 364 O TYR A 10 -1.510 2.560 -9.554 1.00 0.51 O ATOM 365 CB TYR A 10 0.901 3.185 -11.480 1.00 0.52 C ATOM 366 CG TYR A 10 1.335 3.269 -10.031 1.00 0.53 C ATOM 367 CD1 TYR A 10 1.860 2.167 -9.368 1.00 0.59 C ATOM 368 CD2 TYR A 10 1.225 4.466 -9.329 1.00 0.59 C ATOM 369 CE1 TYR A 10 2.260 2.254 -8.047 1.00 0.66 C ATOM 370 CE2 TYR A 10 1.626 4.559 -8.011 1.00 0.66 C ATOM 371 CZ TYR A 10 2.141 3.453 -7.375 1.00 0.70 C ATOM 372 OH TYR A 10 2.546 3.547 -6.060 1.00 0.80 O ATOM 0 H TYR A 10 -0.495 3.703 -13.454 1.00 0.52 H new ATOM 0 HA TYR A 10 -0.397 1.463 -11.604 1.00 0.50 H new ATOM 0 HB2 TYR A 10 1.648 2.616 -12.034 1.00 0.52 H new ATOM 0 HB3 TYR A 10 0.892 4.191 -11.898 1.00 0.52 H new ATOM 0 HD1 TYR A 10 1.957 1.228 -9.892 1.00 0.59 H new ATOM 0 HD2 TYR A 10 0.819 5.336 -9.823 1.00 0.59 H new ATOM 0 HE1 TYR A 10 2.664 1.388 -7.544 1.00 0.66 H new ATOM 0 HE2 TYR A 10 1.536 5.496 -7.482 1.00 0.66 H new ATOM 0 HH TYR A 10 3.280 2.918 -5.898 1.00 0.80 H new ATOM 382 N ARG A 11 -2.338 3.981 -11.069 1.00 0.48 N ATOM 383 CA ARG A 11 -3.388 4.447 -10.164 1.00 0.49 C ATOM 384 C ARG A 11 -4.456 3.370 -10.037 1.00 0.50 C ATOM 385 O ARG A 11 -5.236 3.350 -9.088 1.00 0.54 O ATOM 386 CB ARG A 11 -4.011 5.751 -10.661 1.00 0.51 C ATOM 387 CG ARG A 11 -3.082 6.950 -10.598 1.00 0.48 C ATOM 388 CD ARG A 11 -3.720 8.168 -11.243 1.00 0.60 C ATOM 389 NE ARG A 11 -5.076 8.403 -10.747 1.00 0.88 N ATOM 390 CZ ARG A 11 -6.066 8.904 -11.488 1.00 1.19 C ATOM 391 NH1 ARG A 11 -5.838 9.289 -12.741 1.00 1.61 N ATOM 392 NH2 ARG A 11 -7.279 9.039 -10.965 1.00 1.73 N ATOM 0 H ARG A 11 -2.325 4.435 -11.982 1.00 0.48 H new ATOM 0 HA ARG A 11 -2.944 4.643 -9.188 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -4.339 5.614 -11.691 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -4.901 5.964 -10.069 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -2.837 7.171 -9.559 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -2.145 6.715 -11.103 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -3.105 9.046 -11.047 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -3.748 8.033 -12.324 1.00 0.60 H new ATOM 0 HE ARG A 11 -5.277 8.169 -9.775 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -4.903 9.202 -13.139 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -6.598 9.671 -13.303 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -7.452 8.760 -9.999 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -8.038 9.422 -11.529 1.00 1.73 H new ATOM 406 N ASP A 12 -4.470 2.480 -11.021 1.00 0.48 N ATOM 407 CA ASP A 12 -5.330 1.307 -11.016 1.00 0.50 C ATOM 408 C ASP A 12 -4.784 0.272 -10.038 1.00 0.52 C ATOM 409 O ASP A 12 -5.508 -0.599 -9.559 1.00 0.62 O ATOM 410 CB ASP A 12 -5.391 0.712 -12.424 1.00 0.51 C ATOM 411 CG ASP A 12 -6.638 -0.118 -12.651 1.00 0.76 C ATOM 412 OD1 ASP A 12 -7.742 0.468 -12.701 1.00 1.02 O ATOM 413 OD2 ASP A 12 -6.524 -1.347 -12.816 1.00 0.99 O ATOM 0 H ASP A 12 -3.880 2.554 -11.850 1.00 0.48 H new ATOM 0 HA ASP A 12 -6.334 1.595 -10.704 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -5.357 1.518 -13.157 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -4.510 0.092 -12.591 1.00 0.51 H new ATOM 418 N LEU A 13 -3.480 0.372 -9.782 1.00 0.50 N ATOM 419 CA LEU A 13 -2.801 -0.437 -8.774 1.00 0.53 C ATOM 420 C LEU A 13 -2.961 0.192 -7.394 1.00 0.62 C ATOM 421 O LEU A 13 -3.235 -0.489 -6.408 1.00 0.93 O ATOM 422 CB LEU A 13 -1.299 -0.537 -9.088 1.00 0.49 C ATOM 423 CG LEU A 13 -0.874 -1.546 -10.161 1.00 0.44 C ATOM 424 CD1 LEU A 13 -1.532 -1.271 -11.496 1.00 0.78 C ATOM 425 CD2 LEU A 13 0.641 -1.544 -10.308 1.00 0.88 C ATOM 0 H LEU A 13 -2.863 1.020 -10.271 1.00 0.50 H new ATOM 0 HA LEU A 13 -3.249 -1.430 -8.785 1.00 0.53 H new ATOM 0 HB2 LEU A 13 -0.952 0.449 -9.395 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -0.776 -0.786 -8.164 1.00 0.49 H new ATOM 0 HG LEU A 13 -1.206 -2.532 -9.835 1.00 0.44 H new ATOM 0 HD11 LEU A 13 -1.201 -2.011 -12.224 1.00 0.78 H new ATOM 0 HD12 LEU A 13 -2.615 -1.329 -11.387 1.00 0.78 H new ATOM 0 HD13 LEU A 13 -1.255 -0.274 -11.840 1.00 0.78 H new ATOM 0 HD21 LEU A 13 0.933 -2.264 -11.072 1.00 0.88 H new ATOM 0 HD22 LEU A 13 0.977 -0.549 -10.599 1.00 0.88 H new ATOM 0 HD23 LEU A 13 1.099 -1.818 -9.358 1.00 0.88 H new ATOM 437 N MET A 14 -2.777 1.504 -7.349 1.00 0.55 N ATOM 438 CA MET A 14 -2.757 2.257 -6.111 1.00 0.64 C ATOM 439 C MET A 14 -4.138 2.287 -5.452 1.00 0.55 C ATOM 440 O MET A 14 -5.130 2.640 -6.086 1.00 0.53 O ATOM 441 CB MET A 14 -2.251 3.670 -6.408 1.00 0.82 C ATOM 442 CG MET A 14 -2.333 4.608 -5.226 1.00 0.97 C ATOM 443 SD MET A 14 -1.389 6.130 -5.459 1.00 1.15 S ATOM 444 CE MET A 14 -2.242 6.866 -6.850 1.00 1.04 C ATOM 0 H MET A 14 -2.636 2.077 -8.181 1.00 0.55 H new ATOM 0 HA MET A 14 -2.086 1.771 -5.403 1.00 0.64 H new ATOM 0 HB2 MET A 14 -1.215 3.612 -6.743 1.00 0.82 H new ATOM 0 HB3 MET A 14 -2.830 4.087 -7.232 1.00 0.82 H new ATOM 0 HG2 MET A 14 -3.377 4.860 -5.042 1.00 0.97 H new ATOM 0 HG3 MET A 14 -1.968 4.094 -4.337 1.00 0.97 H new ATOM 0 HE1 MET A 14 -1.769 7.814 -7.107 1.00 1.04 H new ATOM 0 HE2 MET A 14 -2.192 6.192 -7.705 1.00 1.04 H new ATOM 0 HE3 MET A 14 -3.285 7.041 -6.586 1.00 1.04 H new ATOM 454 N PRO A 15 -4.205 1.930 -4.153 1.00 0.62 N ATOM 455 CA PRO A 15 -5.470 1.825 -3.413 1.00 0.67 C ATOM 456 C PRO A 15 -6.182 3.168 -3.264 1.00 0.59 C ATOM 457 O PRO A 15 -5.543 4.222 -3.193 1.00 0.57 O ATOM 458 CB PRO A 15 -5.036 1.306 -2.036 1.00 0.88 C ATOM 459 CG PRO A 15 -3.607 1.702 -1.915 1.00 0.90 C ATOM 460 CD PRO A 15 -3.046 1.607 -3.303 1.00 0.74 C ATOM 0 HA PRO A 15 -6.182 1.181 -3.929 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -5.637 1.745 -1.240 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -5.154 0.225 -1.965 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -3.512 2.714 -1.522 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -3.074 1.043 -1.230 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -2.226 2.309 -3.456 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -2.657 0.611 -3.513 1.00 0.74 H new ATOM 468 N PRO A 16 -7.532 3.127 -3.203 1.00 0.65 N ATOM 469 CA PRO A 16 -8.388 4.316 -3.070 1.00 0.70 C ATOM 470 C PRO A 16 -7.981 5.216 -1.914 1.00 0.71 C ATOM 471 O PRO A 16 -8.224 6.419 -1.944 1.00 0.74 O ATOM 472 CB PRO A 16 -9.774 3.728 -2.805 1.00 0.85 C ATOM 473 CG PRO A 16 -9.742 2.395 -3.456 1.00 0.96 C ATOM 474 CD PRO A 16 -8.338 1.892 -3.278 1.00 0.76 C ATOM 0 HA PRO A 16 -8.328 4.948 -3.956 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -9.972 3.643 -1.736 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -10.559 4.357 -3.226 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -10.462 1.717 -2.997 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -10.001 2.468 -4.512 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -8.239 1.293 -2.373 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -8.029 1.262 -4.112 1.00 0.76 H new ATOM 482 N GLU A 17 -7.379 4.619 -0.891 1.00 0.78 N ATOM 483 CA GLU A 17 -6.910 5.363 0.269 1.00 0.89 C ATOM 484 C GLU A 17 -5.802 6.323 -0.153 1.00 0.84 C ATOM 485 O GLU A 17 -5.910 7.535 0.016 1.00 1.13 O ATOM 486 CB GLU A 17 -6.383 4.411 1.353 1.00 1.09 C ATOM 487 CG GLU A 17 -7.172 3.114 1.501 1.00 1.48 C ATOM 488 CD GLU A 17 -8.659 3.327 1.712 1.00 1.36 C ATOM 489 OE1 GLU A 17 -9.094 3.463 2.870 1.00 1.83 O ATOM 490 OE2 GLU A 17 -9.405 3.331 0.710 1.00 1.65 O ATOM 0 H GLU A 17 -7.204 3.615 -0.843 1.00 0.78 H new ATOM 0 HA GLU A 17 -7.748 5.925 0.681 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -5.345 4.165 1.128 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -6.387 4.934 2.309 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -7.024 2.505 0.609 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -6.772 2.549 2.343 1.00 1.48 H new ATOM 497 N ALA A 18 -4.748 5.767 -0.741 1.00 0.72 N ATOM 498 CA ALA A 18 -3.618 6.563 -1.209 1.00 0.73 C ATOM 499 C ALA A 18 -4.051 7.501 -2.329 1.00 0.62 C ATOM 500 O ALA A 18 -3.469 8.570 -2.523 1.00 0.72 O ATOM 501 CB ALA A 18 -2.493 5.651 -1.676 1.00 0.82 C ATOM 0 H ALA A 18 -4.652 4.765 -0.905 1.00 0.72 H new ATOM 0 HA ALA A 18 -3.252 7.170 -0.381 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -1.655 6.255 -2.023 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -2.168 5.021 -0.848 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -2.849 5.022 -2.492 1.00 0.82 H new ATOM 507 N ARG A 19 -5.074 7.087 -3.066 1.00 0.52 N ATOM 508 CA ARG A 19 -5.645 7.911 -4.119 1.00 0.49 C ATOM 509 C ARG A 19 -6.363 9.119 -3.530 1.00 0.50 C ATOM 510 O ARG A 19 -6.248 10.217 -4.051 1.00 0.52 O ATOM 511 CB ARG A 19 -6.612 7.087 -4.980 1.00 0.52 C ATOM 512 CG ARG A 19 -5.916 6.056 -5.855 1.00 0.64 C ATOM 513 CD ARG A 19 -6.895 5.073 -6.484 1.00 0.72 C ATOM 514 NE ARG A 19 -7.912 5.725 -7.309 1.00 1.01 N ATOM 515 CZ ARG A 19 -8.456 5.168 -8.391 1.00 1.43 C ATOM 516 NH1 ARG A 19 -8.009 3.997 -8.838 1.00 1.46 N ATOM 517 NH2 ARG A 19 -9.431 5.791 -9.043 1.00 2.16 N ATOM 0 H ARG A 19 -5.526 6.180 -2.951 1.00 0.52 H new ATOM 0 HA ARG A 19 -4.831 8.268 -4.750 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -7.323 6.579 -4.329 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -7.187 7.762 -5.614 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -5.361 6.567 -6.642 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -5.188 5.508 -5.257 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -6.342 4.360 -7.095 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -7.386 4.503 -5.695 1.00 0.72 H new ATOM 0 HE ARG A 19 -8.223 6.659 -7.041 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -7.248 3.523 -8.352 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -8.428 3.574 -9.666 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -9.765 6.698 -8.716 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -9.846 5.363 -9.871 1.00 2.16 H new ATOM 531 N ASP A 20 -7.084 8.903 -2.432 1.00 0.53 N ATOM 532 CA ASP A 20 -7.874 9.957 -1.781 1.00 0.57 C ATOM 533 C ASP A 20 -7.029 11.177 -1.418 1.00 0.56 C ATOM 534 O ASP A 20 -7.368 12.302 -1.775 1.00 0.57 O ATOM 535 CB ASP A 20 -8.552 9.418 -0.520 1.00 0.63 C ATOM 536 CG ASP A 20 -9.430 10.459 0.147 1.00 0.80 C ATOM 537 OD1 ASP A 20 -10.602 10.616 -0.263 1.00 1.06 O ATOM 538 OD2 ASP A 20 -8.949 11.126 1.088 1.00 0.98 O ATOM 0 H ASP A 20 -7.140 7.997 -1.966 1.00 0.53 H new ATOM 0 HA ASP A 20 -8.628 10.273 -2.502 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -9.155 8.547 -0.778 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -7.791 9.082 0.184 1.00 0.63 H new ATOM 543 N PHE A 21 -5.940 10.947 -0.703 1.00 0.57 N ATOM 544 CA PHE A 21 -5.052 12.024 -0.258 1.00 0.57 C ATOM 545 C PHE A 21 -4.515 12.861 -1.426 1.00 0.55 C ATOM 546 O PHE A 21 -4.478 14.088 -1.326 1.00 0.64 O ATOM 547 CB PHE A 21 -3.907 11.441 0.574 1.00 0.60 C ATOM 548 CG PHE A 21 -3.007 12.469 1.195 1.00 0.59 C ATOM 549 CD1 PHE A 21 -3.456 13.259 2.239 1.00 0.62 C ATOM 550 CD2 PHE A 21 -1.720 12.655 0.721 1.00 0.64 C ATOM 551 CE1 PHE A 21 -2.635 14.214 2.803 1.00 0.65 C ATOM 552 CE2 PHE A 21 -0.896 13.612 1.280 1.00 0.65 C ATOM 553 CZ PHE A 21 -1.332 14.345 2.364 1.00 0.63 C ATOM 0 H PHE A 21 -5.642 10.016 -0.413 1.00 0.57 H new ATOM 0 HA PHE A 21 -5.637 12.703 0.363 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -4.328 10.819 1.364 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -3.309 10.788 -0.061 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -4.459 13.127 2.616 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -1.357 12.046 -0.094 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -3.010 14.857 3.585 1.00 0.65 H new ATOM 0 HE2 PHE A 21 0.088 13.786 0.869 1.00 0.65 H new ATOM 0 HZ PHE A 21 -0.656 15.020 2.868 1.00 0.63 H new ATOM 563 N LEU A 22 -4.128 12.247 -2.526 1.00 0.56 N ATOM 564 CA LEU A 22 -3.664 13.029 -3.672 1.00 0.55 C ATOM 565 C LEU A 22 -4.822 13.408 -4.594 1.00 0.54 C ATOM 566 O LEU A 22 -4.670 14.279 -5.450 1.00 0.57 O ATOM 567 CB LEU A 22 -2.558 12.306 -4.440 1.00 0.56 C ATOM 568 CG LEU A 22 -1.238 12.153 -3.689 1.00 0.65 C ATOM 569 CD1 LEU A 22 -0.243 11.357 -4.518 1.00 1.04 C ATOM 570 CD2 LEU A 22 -0.674 13.521 -3.342 1.00 1.13 C ATOM 0 H LEU A 22 -4.122 11.236 -2.658 1.00 0.56 H new ATOM 0 HA LEU A 22 -3.237 13.952 -3.280 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -2.918 11.315 -4.716 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -2.369 12.846 -5.368 1.00 0.56 H new ATOM 0 HG LEU A 22 -1.422 11.608 -2.763 1.00 0.65 H new ATOM 0 HD11 LEU A 22 0.692 11.258 -3.967 1.00 1.04 H new ATOM 0 HD12 LEU A 22 -0.650 10.367 -4.723 1.00 1.04 H new ATOM 0 HD13 LEU A 22 -0.057 11.875 -5.459 1.00 1.04 H new ATOM 0 HD21 LEU A 22 0.268 13.401 -2.806 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -0.501 14.086 -4.258 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -1.384 14.058 -2.713 1.00 1.13 H new ATOM 582 N GLN A 23 -5.969 12.783 -4.420 1.00 0.52 N ATOM 583 CA GLN A 23 -7.201 13.293 -5.005 1.00 0.52 C ATOM 584 C GLN A 23 -7.545 14.635 -4.363 1.00 0.53 C ATOM 585 O GLN A 23 -7.937 15.588 -5.042 1.00 0.54 O ATOM 586 CB GLN A 23 -8.343 12.297 -4.787 1.00 0.53 C ATOM 587 CG GLN A 23 -9.644 12.711 -5.447 1.00 0.78 C ATOM 588 CD GLN A 23 -10.761 11.706 -5.242 1.00 1.38 C ATOM 589 OE1 GLN A 23 -10.745 11.014 -4.112 1.00 2.05 O flip ATOM 590 NE2 GLN A 23 -11.639 11.561 -6.091 1.00 2.06 N flip ATOM 0 H GLN A 23 -6.078 11.924 -3.881 1.00 0.52 H new ATOM 0 HA GLN A 23 -7.062 13.429 -6.078 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -8.043 11.323 -5.174 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -8.510 12.177 -3.717 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -9.955 13.677 -5.049 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -9.476 12.845 -6.516 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -11.616 12.113 -6.948 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -12.390 10.889 -5.938 1.00 2.06 H new ATOM 599 N ASN A 24 -7.377 14.695 -3.046 1.00 0.58 N ATOM 600 CA ASN A 24 -7.623 15.916 -2.285 1.00 0.65 C ATOM 601 C ASN A 24 -6.600 16.989 -2.619 1.00 0.60 C ATOM 602 O ASN A 24 -6.967 18.112 -2.967 1.00 0.63 O ATOM 603 CB ASN A 24 -7.594 15.639 -0.777 1.00 0.85 C ATOM 604 CG ASN A 24 -8.914 15.121 -0.240 1.00 1.10 C ATOM 605 OD1 ASN A 24 -9.767 15.893 0.194 1.00 1.84 O ATOM 606 ND2 ASN A 24 -9.088 13.813 -0.255 1.00 1.21 N ATOM 0 H ASN A 24 -7.069 13.905 -2.479 1.00 0.58 H new ATOM 0 HA ASN A 24 -8.614 16.274 -2.564 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -6.811 14.911 -0.563 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -7.330 16.556 -0.251 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -9.954 13.410 0.102 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -8.356 13.205 -0.623 1.00 1.21 H new ATOM 613 N LEU A 25 -5.316 16.640 -2.510 1.00 0.60 N ATOM 614 CA LEU A 25 -4.245 17.605 -2.747 1.00 0.65 C ATOM 615 C LEU A 25 -4.364 18.225 -4.123 1.00 0.64 C ATOM 616 O LEU A 25 -4.470 17.533 -5.133 1.00 0.64 O ATOM 617 CB LEU A 25 -2.854 16.987 -2.590 1.00 0.76 C ATOM 618 CG LEU A 25 -2.489 16.511 -1.188 1.00 0.59 C ATOM 619 CD1 LEU A 25 -0.984 16.325 -1.069 1.00 0.81 C ATOM 620 CD2 LEU A 25 -3.002 17.495 -0.154 1.00 1.05 C ATOM 0 H LEU A 25 -4.996 15.704 -2.261 1.00 0.60 H new ATOM 0 HA LEU A 25 -4.360 18.378 -1.987 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -2.775 16.140 -3.272 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -2.114 17.722 -2.907 1.00 0.76 H new ATOM 0 HG LEU A 25 -2.963 15.547 -1.005 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -0.738 15.985 -0.063 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -0.651 15.583 -1.795 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -0.484 17.274 -1.264 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -2.736 17.146 0.844 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -2.553 18.473 -0.328 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -4.086 17.574 -0.234 1.00 1.05 H new ATOM 632 N SER A 26 -4.306 19.544 -4.143 1.00 0.73 N ATOM 633 CA SER A 26 -4.511 20.296 -5.368 1.00 0.83 C ATOM 634 C SER A 26 -3.596 21.520 -5.417 1.00 1.02 C ATOM 635 O SER A 26 -2.504 21.460 -5.987 1.00 1.78 O ATOM 636 CB SER A 26 -5.982 20.712 -5.493 1.00 0.93 C ATOM 637 OG SER A 26 -6.842 19.586 -5.398 1.00 1.72 O ATOM 0 H SER A 26 -4.118 20.119 -3.322 1.00 0.73 H new ATOM 0 HA SER A 26 -4.257 19.655 -6.213 1.00 0.83 H new ATOM 0 HB2 SER A 26 -6.228 21.429 -4.709 1.00 0.93 H new ATOM 0 HB3 SER A 26 -6.141 21.215 -6.447 1.00 0.93 H new ATOM 0 HG SER A 26 -6.816 19.230 -4.485 1.00 1.72 H new ATOM 643 N ASP A 27 -4.021 22.602 -4.782 1.00 0.96 N ATOM 644 CA ASP A 27 -3.282 23.860 -4.821 1.00 1.11 C ATOM 645 C ASP A 27 -2.712 24.190 -3.450 1.00 1.13 C ATOM 646 O ASP A 27 -3.339 23.914 -2.430 1.00 1.95 O ATOM 647 CB ASP A 27 -4.198 24.994 -5.293 1.00 1.42 C ATOM 648 CG ASP A 27 -3.533 26.356 -5.212 1.00 1.84 C ATOM 649 OD1 ASP A 27 -2.779 26.715 -6.141 1.00 2.39 O ATOM 650 OD2 ASP A 27 -3.761 27.076 -4.218 1.00 2.19 O ATOM 0 H ASP A 27 -4.878 22.636 -4.230 1.00 0.96 H new ATOM 0 HA ASP A 27 -2.456 23.752 -5.524 1.00 1.11 H new ATOM 0 HB2 ASP A 27 -4.504 24.804 -6.322 1.00 1.42 H new ATOM 0 HB3 ASP A 27 -5.104 25.000 -4.687 1.00 1.42 H new ATOM 655 N GLY A 28 -1.512 24.756 -3.426 1.00 0.93 N ATOM 656 CA GLY A 28 -0.909 25.174 -2.174 1.00 0.87 C ATOM 657 C GLY A 28 -0.239 24.035 -1.431 1.00 0.75 C ATOM 658 O GLY A 28 0.887 24.180 -0.956 1.00 0.73 O ATOM 0 H GLY A 28 -0.943 24.934 -4.254 1.00 0.93 H new ATOM 0 HA2 GLY A 28 -0.173 25.953 -2.373 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -1.676 25.615 -1.537 1.00 0.87 H new ATOM 662 N ASP A 29 -0.925 22.898 -1.353 1.00 0.70 N ATOM 663 CA ASP A 29 -0.428 21.738 -0.614 1.00 0.67 C ATOM 664 C ASP A 29 0.935 21.312 -1.136 1.00 0.59 C ATOM 665 O ASP A 29 1.866 21.091 -0.369 1.00 0.60 O ATOM 666 CB ASP A 29 -1.380 20.543 -0.745 1.00 0.80 C ATOM 667 CG ASP A 29 -2.850 20.896 -0.616 1.00 1.47 C ATOM 668 OD1 ASP A 29 -3.331 21.102 0.521 1.00 1.74 O ATOM 669 OD2 ASP A 29 -3.542 20.928 -1.659 1.00 2.25 O ATOM 0 H ASP A 29 -1.833 22.754 -1.795 1.00 0.70 H new ATOM 0 HA ASP A 29 -0.356 22.036 0.432 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -1.216 20.068 -1.712 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -1.127 19.807 0.018 1.00 0.80 H new ATOM 674 N LYS A 30 1.045 21.216 -2.456 1.00 0.63 N ATOM 675 CA LYS A 30 2.255 20.701 -3.094 1.00 0.65 C ATOM 676 C LYS A 30 3.488 21.509 -2.684 1.00 0.61 C ATOM 677 O LYS A 30 4.590 20.973 -2.583 1.00 0.65 O ATOM 678 CB LYS A 30 2.109 20.725 -4.620 1.00 0.78 C ATOM 679 CG LYS A 30 0.807 20.132 -5.155 1.00 0.92 C ATOM 680 CD LYS A 30 0.497 18.769 -4.550 1.00 0.89 C ATOM 681 CE LYS A 30 -0.435 17.955 -5.442 1.00 0.96 C ATOM 682 NZ LYS A 30 -1.615 18.734 -5.903 1.00 1.31 N ATOM 0 H LYS A 30 0.310 21.488 -3.108 1.00 0.63 H new ATOM 0 HA LYS A 30 2.390 19.672 -2.760 1.00 0.65 H new ATOM 0 HB2 LYS A 30 2.187 21.757 -4.961 1.00 0.78 H new ATOM 0 HB3 LYS A 30 2.945 20.180 -5.058 1.00 0.78 H new ATOM 0 HG2 LYS A 30 -0.015 20.816 -4.943 1.00 0.92 H new ATOM 0 HG3 LYS A 30 0.872 20.039 -6.239 1.00 0.92 H new ATOM 0 HD2 LYS A 30 1.426 18.219 -4.396 1.00 0.89 H new ATOM 0 HD3 LYS A 30 0.039 18.901 -3.570 1.00 0.89 H new ATOM 0 HE2 LYS A 30 0.120 17.597 -6.309 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -0.776 17.075 -4.897 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -2.464 18.134 -5.865 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -1.748 19.561 -5.286 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 -1.460 19.053 -6.881 1.00 1.31 H new ATOM 696 N THR A 31 3.279 22.794 -2.422 1.00 0.60 N ATOM 697 CA THR A 31 4.357 23.702 -2.052 1.00 0.61 C ATOM 698 C THR A 31 4.931 23.358 -0.682 1.00 0.52 C ATOM 699 O THR A 31 6.118 23.544 -0.423 1.00 0.54 O ATOM 700 CB THR A 31 3.836 25.150 -2.007 1.00 0.68 C ATOM 701 OG1 THR A 31 3.144 25.460 -3.225 1.00 0.80 O ATOM 702 CG2 THR A 31 4.973 26.141 -1.804 1.00 0.76 C ATOM 0 H THR A 31 2.360 23.234 -2.460 1.00 0.60 H new ATOM 0 HA THR A 31 5.140 23.600 -2.804 1.00 0.61 H new ATOM 0 HB THR A 31 3.152 25.233 -1.162 1.00 0.68 H new ATOM 0 HG1 THR A 31 2.814 26.382 -3.188 1.00 0.80 H new ATOM 0 HG21 THR A 31 4.572 27.154 -1.777 1.00 0.76 H new ATOM 0 HG22 THR A 31 5.480 25.926 -0.863 1.00 0.76 H new ATOM 0 HG23 THR A 31 5.683 26.054 -2.627 1.00 0.76 H new ATOM 710 N VAL A 32 4.082 22.850 0.191 1.00 0.50 N ATOM 711 CA VAL A 32 4.461 22.642 1.572 1.00 0.50 C ATOM 712 C VAL A 32 4.944 21.208 1.818 1.00 0.47 C ATOM 713 O VAL A 32 5.760 20.971 2.713 1.00 0.48 O ATOM 714 CB VAL A 32 3.292 23.004 2.507 1.00 0.57 C ATOM 715 CG1 VAL A 32 2.235 21.922 2.521 1.00 0.60 C ATOM 716 CG2 VAL A 32 3.792 23.290 3.902 1.00 0.85 C ATOM 0 H VAL A 32 3.126 22.574 -0.033 1.00 0.50 H new ATOM 0 HA VAL A 32 5.299 23.303 1.794 1.00 0.50 H new ATOM 0 HB VAL A 32 2.826 23.910 2.118 1.00 0.57 H new ATOM 0 HG11 VAL A 32 1.426 22.212 3.191 1.00 0.60 H new ATOM 0 HG12 VAL A 32 1.840 21.786 1.514 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.676 20.987 2.868 1.00 0.60 H new ATOM 0 HG21 VAL A 32 2.950 23.543 4.546 1.00 0.85 H new ATOM 0 HG22 VAL A 32 4.297 22.408 4.296 1.00 0.85 H new ATOM 0 HG23 VAL A 32 4.491 24.126 3.874 1.00 0.85 H new ATOM 720 N LEU A 33 4.451 20.254 1.028 1.00 0.48 N ATOM 721 CA LEU A 33 4.918 18.874 1.107 1.00 0.49 C ATOM 722 C LEU A 33 6.433 18.778 0.921 1.00 0.50 C ATOM 723 O LEU A 33 7.115 18.092 1.684 1.00 0.54 O ATOM 724 CB LEU A 33 4.215 18.009 0.054 1.00 0.53 C ATOM 725 CG LEU A 33 2.908 17.329 0.488 1.00 0.58 C ATOM 726 CD1 LEU A 33 3.146 16.423 1.680 1.00 0.98 C ATOM 727 CD2 LEU A 33 1.826 18.341 0.805 1.00 0.74 C ATOM 0 H LEU A 33 3.728 20.414 0.326 1.00 0.48 H new ATOM 0 HA LEU A 33 4.673 18.506 2.103 1.00 0.49 H new ATOM 0 HB2 LEU A 33 4.003 18.633 -0.814 1.00 0.53 H new ATOM 0 HB3 LEU A 33 4.910 17.235 -0.272 1.00 0.53 H new ATOM 0 HG LEU A 33 2.562 16.725 -0.351 1.00 0.58 H new ATOM 0 HD11 LEU A 33 2.208 15.951 1.971 1.00 0.98 H new ATOM 0 HD12 LEU A 33 3.871 15.654 1.414 1.00 0.98 H new ATOM 0 HD13 LEU A 33 3.530 17.011 2.513 1.00 0.98 H new ATOM 0 HD21 LEU A 33 0.918 17.820 1.108 1.00 0.74 H new ATOM 0 HD22 LEU A 33 2.160 18.989 1.615 1.00 0.74 H new ATOM 0 HD23 LEU A 33 1.621 18.943 -0.080 1.00 0.74 H new ATOM 739 N LYS A 34 6.957 19.477 -0.084 1.00 0.51 N ATOM 740 CA LYS A 34 8.390 19.438 -0.384 1.00 0.56 C ATOM 741 C LYS A 34 9.216 19.975 0.783 1.00 0.53 C ATOM 742 O LYS A 34 10.341 19.538 1.007 1.00 0.59 O ATOM 743 CB LYS A 34 8.699 20.233 -1.658 1.00 0.65 C ATOM 744 CG LYS A 34 8.131 21.642 -1.658 1.00 0.93 C ATOM 745 CD LYS A 34 8.474 22.393 -2.936 1.00 0.89 C ATOM 746 CE LYS A 34 9.927 22.843 -2.960 1.00 1.70 C ATOM 747 NZ LYS A 34 10.204 23.903 -1.953 1.00 2.41 N ATOM 0 H LYS A 34 6.413 20.077 -0.704 1.00 0.51 H new ATOM 0 HA LYS A 34 8.664 18.395 -0.544 1.00 0.56 H new ATOM 0 HB2 LYS A 34 9.780 20.288 -1.787 1.00 0.65 H new ATOM 0 HB3 LYS A 34 8.302 19.692 -2.517 1.00 0.65 H new ATOM 0 HG2 LYS A 34 7.048 21.597 -1.543 1.00 0.93 H new ATOM 0 HG3 LYS A 34 8.520 22.190 -0.800 1.00 0.93 H new ATOM 0 HD2 LYS A 34 8.278 21.753 -3.796 1.00 0.89 H new ATOM 0 HD3 LYS A 34 7.824 23.262 -3.031 1.00 0.89 H new ATOM 0 HE2 LYS A 34 10.574 21.986 -2.771 1.00 1.70 H new ATOM 0 HE3 LYS A 34 10.174 23.215 -3.954 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 11.081 24.401 -2.205 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 9.415 24.580 -1.935 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 10.310 23.470 -1.013 1.00 2.41 H new ATOM 761 N GLU A 35 8.641 20.906 1.531 1.00 0.47 N ATOM 762 CA GLU A 35 9.320 21.500 2.675 1.00 0.47 C ATOM 763 C GLU A 35 9.464 20.482 3.802 1.00 0.46 C ATOM 764 O GLU A 35 10.482 20.448 4.493 1.00 0.57 O ATOM 765 CB GLU A 35 8.548 22.724 3.166 1.00 0.47 C ATOM 766 CG GLU A 35 8.342 23.786 2.097 1.00 0.61 C ATOM 767 CD GLU A 35 9.646 24.296 1.517 1.00 1.26 C ATOM 768 OE1 GLU A 35 10.233 23.603 0.657 1.00 1.96 O ATOM 769 OE2 GLU A 35 10.098 25.383 1.925 1.00 1.47 O ATOM 0 H GLU A 35 7.702 21.268 1.366 1.00 0.47 H new ATOM 0 HA GLU A 35 10.317 21.812 2.363 1.00 0.47 H new ATOM 0 HB2 GLU A 35 7.575 22.403 3.539 1.00 0.47 H new ATOM 0 HB3 GLU A 35 9.082 23.166 4.007 1.00 0.47 H new ATOM 0 HG2 GLU A 35 7.730 23.374 1.295 1.00 0.61 H new ATOM 0 HG3 GLU A 35 7.788 24.622 2.524 1.00 0.61 H new ATOM 776 N VAL A 36 8.448 19.650 3.966 1.00 0.41 N ATOM 777 CA VAL A 36 8.469 18.594 4.971 1.00 0.42 C ATOM 778 C VAL A 36 9.437 17.483 4.552 1.00 0.50 C ATOM 779 O VAL A 36 10.326 17.086 5.306 1.00 0.62 O ATOM 780 CB VAL A 36 7.050 18.011 5.166 1.00 0.43 C ATOM 781 CG1 VAL A 36 7.050 16.862 6.161 1.00 0.98 C ATOM 782 CG2 VAL A 36 6.085 19.100 5.612 1.00 0.74 C ATOM 0 H VAL A 36 7.592 19.685 3.413 1.00 0.41 H new ATOM 0 HA VAL A 36 8.808 19.020 5.915 1.00 0.42 H new ATOM 0 HB VAL A 36 6.718 17.617 4.205 1.00 0.43 H new ATOM 0 HG11 VAL A 36 6.036 16.477 6.273 1.00 0.98 H new ATOM 0 HG12 VAL A 36 7.702 16.067 5.799 1.00 0.98 H new ATOM 0 HG13 VAL A 36 7.412 17.216 7.126 1.00 0.98 H new ATOM 0 HG21 VAL A 36 5.091 18.673 5.745 1.00 0.74 H new ATOM 0 HG22 VAL A 36 6.427 19.525 6.556 1.00 0.74 H new ATOM 0 HG23 VAL A 36 6.045 19.883 4.855 1.00 0.74 H new ATOM 786 N PHE A 37 9.251 17.009 3.333 1.00 0.49 N ATOM 787 CA PHE A 37 10.068 15.965 2.737 1.00 0.54 C ATOM 788 C PHE A 37 11.551 16.296 2.615 1.00 0.59 C ATOM 789 O PHE A 37 12.392 15.434 2.876 1.00 0.66 O ATOM 790 CB PHE A 37 9.475 15.634 1.377 1.00 0.57 C ATOM 791 CG PHE A 37 8.381 14.623 1.556 1.00 0.57 C ATOM 792 CD1 PHE A 37 8.646 13.265 1.508 1.00 0.66 C ATOM 793 CD2 PHE A 37 7.067 15.038 1.699 1.00 0.74 C ATOM 794 CE1 PHE A 37 7.621 12.343 1.603 1.00 0.68 C ATOM 795 CE2 PHE A 37 6.043 14.121 1.803 1.00 0.83 C ATOM 796 CZ PHE A 37 6.394 12.737 2.019 1.00 0.71 C ATOM 0 H PHE A 37 8.512 17.346 2.716 1.00 0.49 H new ATOM 0 HA PHE A 37 10.043 15.109 3.411 1.00 0.54 H new ATOM 0 HB2 PHE A 37 9.082 16.536 0.908 1.00 0.57 H new ATOM 0 HB3 PHE A 37 10.247 15.241 0.715 1.00 0.57 H new ATOM 0 HD1 PHE A 37 9.664 12.923 1.395 1.00 0.66 H new ATOM 0 HD2 PHE A 37 6.842 16.094 1.729 1.00 0.74 H new ATOM 0 HE1 PHE A 37 7.798 11.309 1.346 1.00 0.68 H new ATOM 0 HE2 PHE A 37 5.010 14.428 1.725 1.00 0.83 H new ATOM 0 HZ PHE A 37 5.709 12.048 2.491 1.00 0.71 H new ATOM 806 N LYS A 38 11.896 17.518 2.227 1.00 0.60 N ATOM 807 CA LYS A 38 13.310 17.853 2.066 1.00 0.69 C ATOM 808 C LYS A 38 13.960 18.165 3.406 1.00 0.78 C ATOM 809 O LYS A 38 15.140 18.505 3.478 1.00 1.02 O ATOM 810 CB LYS A 38 13.517 19.011 1.090 1.00 0.75 C ATOM 811 CG LYS A 38 13.185 18.674 -0.342 1.00 0.76 C ATOM 812 CD LYS A 38 13.577 19.810 -1.261 1.00 0.91 C ATOM 813 CE LYS A 38 13.483 19.388 -2.705 1.00 1.37 C ATOM 814 NZ LYS A 38 14.041 20.415 -3.621 1.00 2.18 N ATOM 0 H LYS A 38 11.242 18.274 2.023 1.00 0.60 H new ATOM 0 HA LYS A 38 13.795 16.973 1.644 1.00 0.69 H new ATOM 0 HB2 LYS A 38 12.902 19.853 1.406 1.00 0.75 H new ATOM 0 HB3 LYS A 38 14.556 19.337 1.144 1.00 0.75 H new ATOM 0 HG2 LYS A 38 13.707 17.764 -0.637 1.00 0.76 H new ATOM 0 HG3 LYS A 38 12.118 18.475 -0.436 1.00 0.76 H new ATOM 0 HD2 LYS A 38 12.927 20.667 -1.085 1.00 0.91 H new ATOM 0 HD3 LYS A 38 14.594 20.130 -1.037 1.00 0.91 H new ATOM 0 HE2 LYS A 38 14.018 18.449 -2.844 1.00 1.37 H new ATOM 0 HE3 LYS A 38 12.440 19.202 -2.961 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 13.957 20.086 -4.604 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 13.514 21.304 -3.507 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 15.043 20.575 -3.394 1.00 2.18 H new ATOM 828 N ALA A 39 13.183 18.042 4.459 1.00 0.71 N ATOM 829 CA ALA A 39 13.701 18.143 5.803 1.00 0.87 C ATOM 830 C ALA A 39 13.939 16.747 6.366 1.00 0.82 C ATOM 831 O ALA A 39 15.058 16.240 6.295 1.00 1.56 O ATOM 832 CB ALA A 39 12.752 18.939 6.680 1.00 1.06 C ATOM 0 H ALA A 39 12.179 17.870 4.407 1.00 0.71 H new ATOM 0 HA ALA A 39 14.653 18.674 5.784 1.00 0.87 H new ATOM 0 HB1 ALA A 39 13.158 19.005 7.689 1.00 1.06 H new ATOM 0 HB2 ALA A 39 12.633 19.942 6.270 1.00 1.06 H new ATOM 0 HB3 ALA A 39 11.782 18.442 6.711 1.00 1.06 H new ATOM 838 N GLY A 40 12.885 16.096 6.840 1.00 0.78 N ATOM 839 CA GLY A 40 13.045 14.824 7.538 1.00 1.03 C ATOM 840 C GLY A 40 14.145 14.860 8.598 1.00 1.29 C ATOM 841 O GLY A 40 14.487 15.931 9.101 1.00 1.54 O ATOM 0 H GLY A 40 11.922 16.421 6.757 1.00 0.78 H new ATOM 0 HA2 GLY A 40 12.101 14.554 8.011 1.00 1.03 H new ATOM 0 HA3 GLY A 40 13.273 14.043 6.812 1.00 1.03 H new ATOM 845 N PRO A 41 14.698 13.702 8.986 1.00 1.37 N ATOM 846 CA PRO A 41 14.212 12.393 8.583 1.00 1.22 C ATOM 847 C PRO A 41 13.240 11.818 9.608 1.00 1.09 C ATOM 848 O PRO A 41 13.289 12.156 10.794 1.00 1.18 O ATOM 849 CB PRO A 41 15.492 11.566 8.511 1.00 1.37 C ATOM 850 CG PRO A 41 16.442 12.211 9.479 1.00 1.60 C ATOM 851 CD PRO A 41 15.883 13.572 9.842 1.00 1.68 C ATOM 0 HA PRO A 41 13.655 12.412 7.646 1.00 1.22 H new ATOM 0 HB2 PRO A 41 15.303 10.527 8.780 1.00 1.37 H new ATOM 0 HB3 PRO A 41 15.902 11.564 7.501 1.00 1.37 H new ATOM 0 HG2 PRO A 41 16.555 11.595 10.371 1.00 1.60 H new ATOM 0 HG3 PRO A 41 17.432 12.311 9.033 1.00 1.60 H new ATOM 0 HD2 PRO A 41 15.622 13.628 10.899 1.00 1.68 H new ATOM 0 HD3 PRO A 41 16.605 14.366 9.649 1.00 1.68 H new ATOM 859 N TYR A 42 12.350 10.962 9.145 1.00 0.99 N ATOM 860 CA TYR A 42 11.275 10.455 9.981 1.00 0.92 C ATOM 861 C TYR A 42 11.388 8.948 10.154 1.00 0.97 C ATOM 862 O TYR A 42 11.582 8.212 9.185 1.00 1.08 O ATOM 863 CB TYR A 42 9.923 10.824 9.358 1.00 0.85 C ATOM 864 CG TYR A 42 9.836 12.286 8.975 1.00 0.87 C ATOM 865 CD1 TYR A 42 10.008 13.281 9.927 1.00 0.90 C ATOM 866 CD2 TYR A 42 9.603 12.670 7.662 1.00 0.99 C ATOM 867 CE1 TYR A 42 9.950 14.615 9.584 1.00 1.02 C ATOM 868 CE2 TYR A 42 9.540 14.007 7.311 1.00 1.10 C ATOM 869 CZ TYR A 42 9.717 14.974 8.278 1.00 1.12 C ATOM 870 OH TYR A 42 9.677 16.304 7.938 1.00 1.28 O ATOM 0 H TYR A 42 12.349 10.601 8.191 1.00 0.99 H new ATOM 0 HA TYR A 42 11.352 10.911 10.968 1.00 0.92 H new ATOM 0 HB2 TYR A 42 9.756 10.210 8.473 1.00 0.85 H new ATOM 0 HB3 TYR A 42 9.126 10.589 10.064 1.00 0.85 H new ATOM 0 HD1 TYR A 42 10.191 13.005 10.955 1.00 0.90 H new ATOM 0 HD2 TYR A 42 9.469 11.914 6.903 1.00 0.99 H new ATOM 0 HE1 TYR A 42 10.087 15.375 10.339 1.00 1.02 H new ATOM 0 HE2 TYR A 42 9.353 14.291 6.286 1.00 1.10 H new ATOM 0 HH TYR A 42 9.928 16.409 6.996 1.00 1.28 H new ATOM 880 N LYS A 43 11.274 8.507 11.398 1.00 0.96 N ATOM 881 CA LYS A 43 11.326 7.089 11.727 1.00 1.01 C ATOM 882 C LYS A 43 9.934 6.484 11.632 1.00 0.98 C ATOM 883 O LYS A 43 9.769 5.262 11.630 1.00 1.06 O ATOM 884 CB LYS A 43 11.894 6.886 13.139 1.00 1.10 C ATOM 885 CG LYS A 43 11.003 7.421 14.250 1.00 1.72 C ATOM 886 CD LYS A 43 11.663 7.276 15.612 1.00 2.26 C ATOM 887 CE LYS A 43 10.741 7.721 16.737 1.00 2.94 C ATOM 888 NZ LYS A 43 9.582 6.807 16.910 1.00 3.51 N ATOM 0 H LYS A 43 11.143 9.118 12.204 1.00 0.96 H new ATOM 0 HA LYS A 43 11.982 6.589 11.015 1.00 1.01 H new ATOM 0 HB2 LYS A 43 12.060 5.821 13.302 1.00 1.10 H new ATOM 0 HB3 LYS A 43 12.867 7.374 13.201 1.00 1.10 H new ATOM 0 HG2 LYS A 43 10.778 8.471 14.064 1.00 1.72 H new ATOM 0 HG3 LYS A 43 10.053 6.886 14.246 1.00 1.72 H new ATOM 0 HD2 LYS A 43 11.951 6.236 15.768 1.00 2.26 H new ATOM 0 HD3 LYS A 43 12.578 7.867 15.637 1.00 2.26 H new ATOM 0 HE2 LYS A 43 11.305 7.770 17.668 1.00 2.94 H new ATOM 0 HE3 LYS A 43 10.379 8.728 16.531 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 9.107 7.015 17.811 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 8.912 6.943 16.126 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 9.914 5.822 16.914 1.00 3.51 H new ATOM 902 N ASN A 44 8.937 7.352 11.543 1.00 0.88 N ATOM 903 CA ASN A 44 7.547 6.935 11.460 1.00 0.85 C ATOM 904 C ASN A 44 6.711 8.065 10.880 1.00 0.80 C ATOM 905 O ASN A 44 7.049 9.242 11.037 1.00 0.85 O ATOM 906 CB ASN A 44 7.011 6.521 12.841 1.00 0.89 C ATOM 907 CG ASN A 44 7.420 7.460 13.970 1.00 0.95 C ATOM 908 OD1 ASN A 44 7.570 7.036 15.113 1.00 1.52 O ATOM 909 ND2 ASN A 44 7.615 8.736 13.670 1.00 1.10 N ATOM 0 H ASN A 44 9.069 8.363 11.526 1.00 0.88 H new ATOM 0 HA ASN A 44 7.481 6.066 10.805 1.00 0.85 H new ATOM 0 HB2 ASN A 44 5.923 6.473 12.798 1.00 0.89 H new ATOM 0 HB3 ASN A 44 7.366 5.516 13.071 1.00 0.89 H new ATOM 0 HD21 ASN A 44 7.897 9.393 14.397 1.00 1.10 H new ATOM 0 HD22 ASN A 44 7.483 9.061 12.712 1.00 1.10 H new ATOM 916 N THR A 45 5.620 7.697 10.217 1.00 0.77 N ATOM 917 CA THR A 45 4.779 8.653 9.505 1.00 0.76 C ATOM 918 C THR A 45 4.204 9.720 10.440 1.00 0.74 C ATOM 919 O THR A 45 3.844 10.806 9.994 1.00 0.92 O ATOM 920 CB THR A 45 3.626 7.931 8.777 1.00 0.84 C ATOM 921 OG1 THR A 45 4.142 6.812 8.041 1.00 1.05 O ATOM 922 CG2 THR A 45 2.903 8.872 7.822 1.00 1.18 C ATOM 0 H THR A 45 5.295 6.732 10.158 1.00 0.77 H new ATOM 0 HA THR A 45 5.416 9.150 8.774 1.00 0.76 H new ATOM 0 HB THR A 45 2.915 7.587 9.528 1.00 0.84 H new ATOM 0 HG1 THR A 45 3.686 6.751 7.176 1.00 1.05 H new ATOM 0 HG21 THR A 45 2.096 8.335 7.324 1.00 1.18 H new ATOM 0 HG22 THR A 45 2.489 9.711 8.382 1.00 1.18 H new ATOM 0 HG23 THR A 45 3.606 9.244 7.076 1.00 1.18 H new ATOM 930 N GLU A 46 4.140 9.413 11.735 1.00 0.72 N ATOM 931 CA GLU A 46 3.630 10.358 12.724 1.00 0.71 C ATOM 932 C GLU A 46 4.438 11.654 12.703 1.00 0.66 C ATOM 933 O GLU A 46 3.880 12.745 12.790 1.00 0.65 O ATOM 934 CB GLU A 46 3.674 9.738 14.121 1.00 0.79 C ATOM 935 CG GLU A 46 2.997 10.577 15.188 1.00 1.41 C ATOM 936 CD GLU A 46 2.981 9.887 16.533 1.00 1.82 C ATOM 937 OE1 GLU A 46 3.944 10.060 17.308 1.00 2.24 O ATOM 938 OE2 GLU A 46 2.013 9.154 16.816 1.00 2.12 O ATOM 0 H GLU A 46 4.435 8.517 12.122 1.00 0.72 H new ATOM 0 HA GLU A 46 2.596 10.591 12.470 1.00 0.71 H new ATOM 0 HB2 GLU A 46 3.199 8.758 14.088 1.00 0.79 H new ATOM 0 HB3 GLU A 46 4.714 9.578 14.404 1.00 0.79 H new ATOM 0 HG2 GLU A 46 3.513 11.533 15.278 1.00 1.41 H new ATOM 0 HG3 GLU A 46 1.974 10.795 14.881 1.00 1.41 H new ATOM 945 N GLU A 47 5.753 11.525 12.557 1.00 0.67 N ATOM 946 CA GLU A 47 6.640 12.683 12.490 1.00 0.67 C ATOM 947 C GLU A 47 6.357 13.520 11.246 1.00 0.60 C ATOM 948 O GLU A 47 6.520 14.740 11.256 1.00 0.58 O ATOM 949 CB GLU A 47 8.100 12.238 12.494 1.00 0.73 C ATOM 950 CG GLU A 47 8.604 11.797 13.852 1.00 0.98 C ATOM 951 CD GLU A 47 10.049 11.348 13.810 1.00 1.64 C ATOM 952 OE1 GLU A 47 10.340 10.319 13.161 1.00 2.26 O ATOM 953 OE2 GLU A 47 10.897 12.026 14.419 1.00 2.03 O ATOM 0 H GLU A 47 6.230 10.627 12.482 1.00 0.67 H new ATOM 0 HA GLU A 47 6.452 13.298 13.370 1.00 0.67 H new ATOM 0 HB2 GLU A 47 8.221 11.416 11.788 1.00 0.73 H new ATOM 0 HB3 GLU A 47 8.721 13.059 12.136 1.00 0.73 H new ATOM 0 HG2 GLU A 47 8.502 12.620 14.560 1.00 0.98 H new ATOM 0 HG3 GLU A 47 7.983 10.981 14.220 1.00 0.98 H new ATOM 960 N SER A 48 5.930 12.859 10.180 1.00 0.58 N ATOM 961 CA SER A 48 5.595 13.552 8.948 1.00 0.54 C ATOM 962 C SER A 48 4.250 14.252 9.098 1.00 0.51 C ATOM 963 O SER A 48 4.057 15.361 8.597 1.00 0.49 O ATOM 964 CB SER A 48 5.566 12.573 7.769 1.00 0.57 C ATOM 965 OG SER A 48 5.312 13.242 6.545 1.00 1.19 O ATOM 0 H SER A 48 5.808 11.847 10.145 1.00 0.58 H new ATOM 0 HA SER A 48 6.361 14.301 8.746 1.00 0.54 H new ATOM 0 HB2 SER A 48 6.519 12.048 7.707 1.00 0.57 H new ATOM 0 HB3 SER A 48 4.797 11.819 7.939 1.00 0.57 H new ATOM 0 HG SER A 48 5.301 12.591 5.813 1.00 1.19 H new ATOM 971 N ILE A 49 3.329 13.599 9.797 1.00 0.51 N ATOM 972 CA ILE A 49 2.026 14.181 10.087 1.00 0.49 C ATOM 973 C ILE A 49 2.197 15.396 10.989 1.00 0.49 C ATOM 974 O ILE A 49 1.578 16.436 10.779 1.00 0.47 O ATOM 975 CB ILE A 49 1.095 13.156 10.769 1.00 0.51 C ATOM 976 CG1 ILE A 49 0.837 11.970 9.835 1.00 0.52 C ATOM 977 CG2 ILE A 49 -0.217 13.811 11.179 1.00 0.50 C ATOM 978 CD1 ILE A 49 -0.014 10.881 10.452 1.00 0.55 C ATOM 0 H ILE A 49 3.463 12.661 10.175 1.00 0.51 H new ATOM 0 HA ILE A 49 1.570 14.481 9.144 1.00 0.49 H new ATOM 0 HB ILE A 49 1.586 12.788 11.670 1.00 0.51 H new ATOM 0 HG12 ILE A 49 0.348 12.332 8.930 1.00 0.52 H new ATOM 0 HG13 ILE A 49 1.793 11.543 9.532 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -0.859 13.071 11.658 1.00 0.50 H new ATOM 0 HG22 ILE A 49 -0.016 14.623 11.877 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.717 14.208 10.296 1.00 0.50 H new ATOM 0 HD11 ILE A 49 -0.153 10.076 9.731 1.00 0.55 H new ATOM 0 HD12 ILE A 49 0.482 10.491 11.341 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -0.985 11.291 10.729 1.00 0.55 H new ATOM 985 N ALA A 50 3.062 15.242 11.978 1.00 0.52 N ATOM 986 CA ALA A 50 3.408 16.315 12.897 1.00 0.53 C ATOM 987 C ALA A 50 3.943 17.530 12.154 1.00 0.50 C ATOM 988 O ALA A 50 3.502 18.659 12.389 1.00 0.50 O ATOM 989 CB ALA A 50 4.450 15.809 13.872 1.00 0.57 C ATOM 0 H ALA A 50 3.547 14.365 12.167 1.00 0.52 H new ATOM 0 HA ALA A 50 2.509 16.621 13.431 1.00 0.53 H new ATOM 0 HB1 ALA A 50 4.717 16.606 14.566 1.00 0.57 H new ATOM 0 HB2 ALA A 50 4.047 14.963 14.429 1.00 0.57 H new ATOM 0 HB3 ALA A 50 5.338 15.493 13.324 1.00 0.57 H new ATOM 995 N ALA A 51 4.897 17.289 11.260 1.00 0.49 N ATOM 996 CA ALA A 51 5.493 18.353 10.461 1.00 0.48 C ATOM 997 C ALA A 51 4.437 19.041 9.610 1.00 0.45 C ATOM 998 O ALA A 51 4.415 20.265 9.486 1.00 0.47 O ATOM 999 CB ALA A 51 6.593 17.788 9.575 1.00 0.50 C ATOM 0 H ALA A 51 5.275 16.361 11.071 1.00 0.49 H new ATOM 0 HA ALA A 51 5.925 19.091 11.137 1.00 0.48 H new ATOM 0 HB1 ALA A 51 7.031 18.591 8.982 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.364 17.334 10.197 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.173 17.034 8.909 1.00 0.50 H new ATOM 1005 N LEU A 52 3.554 18.234 9.034 1.00 0.42 N ATOM 1006 CA LEU A 52 2.483 18.741 8.189 1.00 0.40 C ATOM 1007 C LEU A 52 1.451 19.506 9.000 1.00 0.39 C ATOM 1008 O LEU A 52 0.906 20.484 8.514 1.00 0.40 O ATOM 1009 CB LEU A 52 1.818 17.605 7.406 1.00 0.40 C ATOM 1010 CG LEU A 52 2.559 17.162 6.145 1.00 0.41 C ATOM 1011 CD1 LEU A 52 2.021 15.828 5.651 1.00 0.45 C ATOM 1012 CD2 LEU A 52 2.418 18.216 5.059 1.00 0.41 C ATOM 0 H LEU A 52 3.560 17.219 9.139 1.00 0.42 H new ATOM 0 HA LEU A 52 2.929 19.434 7.476 1.00 0.40 H new ATOM 0 HB2 LEU A 52 1.711 16.744 8.066 1.00 0.40 H new ATOM 0 HB3 LEU A 52 0.812 17.919 7.126 1.00 0.40 H new ATOM 0 HG LEU A 52 3.615 17.042 6.388 1.00 0.41 H new ATOM 0 HD11 LEU A 52 2.560 15.528 4.752 1.00 0.45 H new ATOM 0 HD12 LEU A 52 2.156 15.072 6.425 1.00 0.45 H new ATOM 0 HD13 LEU A 52 0.960 15.926 5.421 1.00 0.45 H new ATOM 0 HD21 LEU A 52 2.950 17.891 4.165 1.00 0.41 H new ATOM 0 HD22 LEU A 52 1.363 18.356 4.823 1.00 0.41 H new ATOM 0 HD23 LEU A 52 2.840 19.158 5.409 1.00 0.41 H new ATOM 1024 N LYS A 53 1.179 19.079 10.223 1.00 0.39 N ATOM 1025 CA LYS A 53 0.270 19.824 11.088 1.00 0.39 C ATOM 1026 C LYS A 53 0.855 21.190 11.442 1.00 0.40 C ATOM 1027 O LYS A 53 0.134 22.181 11.545 1.00 0.45 O ATOM 1028 CB LYS A 53 -0.045 19.045 12.362 1.00 0.41 C ATOM 1029 CG LYS A 53 -0.972 17.865 12.142 1.00 0.42 C ATOM 1030 CD LYS A 53 -1.354 17.216 13.458 1.00 0.52 C ATOM 1031 CE LYS A 53 -2.326 16.071 13.249 1.00 0.52 C ATOM 1032 NZ LYS A 53 -2.789 15.500 14.539 1.00 1.22 N ATOM 0 H LYS A 53 1.567 18.232 10.638 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.659 19.971 10.537 1.00 0.39 H new ATOM 0 HB2 LYS A 53 0.888 18.687 12.798 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.497 19.721 13.088 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -1.871 18.197 11.623 1.00 0.42 H new ATOM 0 HG3 LYS A 53 -0.485 17.131 11.499 1.00 0.42 H new ATOM 0 HD2 LYS A 53 -0.458 16.848 13.957 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -1.802 17.960 14.116 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -3.185 16.423 12.678 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -1.847 15.291 12.657 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -2.841 14.464 14.461 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -2.120 15.758 15.293 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -3.731 15.878 14.768 1.00 1.22 H new ATOM 1046 N LYS A 54 2.169 21.222 11.625 1.00 0.39 N ATOM 1047 CA LYS A 54 2.881 22.457 11.929 1.00 0.41 C ATOM 1048 C LYS A 54 2.827 23.409 10.736 1.00 0.41 C ATOM 1049 O LYS A 54 2.477 24.581 10.871 1.00 0.47 O ATOM 1050 CB LYS A 54 4.333 22.129 12.283 1.00 0.44 C ATOM 1051 CG LYS A 54 5.174 23.331 12.675 1.00 1.24 C ATOM 1052 CD LYS A 54 6.601 22.912 12.992 1.00 1.63 C ATOM 1053 CE LYS A 54 7.444 24.082 13.469 1.00 2.24 C ATOM 1054 NZ LYS A 54 6.937 24.651 14.744 1.00 3.05 N ATOM 0 H LYS A 54 2.768 20.398 11.567 1.00 0.39 H new ATOM 0 HA LYS A 54 2.405 22.948 12.778 1.00 0.41 H new ATOM 0 HB2 LYS A 54 4.340 21.413 13.105 1.00 0.44 H new ATOM 0 HB3 LYS A 54 4.800 21.638 11.429 1.00 0.44 H new ATOM 0 HG2 LYS A 54 5.176 24.059 11.864 1.00 1.24 H new ATOM 0 HG3 LYS A 54 4.733 23.821 13.543 1.00 1.24 H new ATOM 0 HD2 LYS A 54 6.590 22.137 13.758 1.00 1.63 H new ATOM 0 HD3 LYS A 54 7.057 22.475 12.103 1.00 1.63 H new ATOM 0 HE2 LYS A 54 8.475 23.755 13.603 1.00 2.24 H new ATOM 0 HE3 LYS A 54 7.453 24.858 12.704 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 7.658 25.278 15.155 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 6.069 25.195 14.561 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 6.728 23.880 15.410 1.00 3.05 H new ATOM 1068 N LYS A 55 3.172 22.885 9.573 1.00 0.42 N ATOM 1069 CA LYS A 55 3.127 23.640 8.327 1.00 0.48 C ATOM 1070 C LYS A 55 1.698 24.001 7.931 1.00 0.47 C ATOM 1071 O LYS A 55 1.384 25.174 7.736 1.00 0.58 O ATOM 1072 CB LYS A 55 3.777 22.832 7.211 1.00 0.55 C ATOM 1073 CG LYS A 55 5.292 22.783 7.266 1.00 1.23 C ATOM 1074 CD LYS A 55 5.891 24.149 6.990 1.00 1.16 C ATOM 1075 CE LYS A 55 7.259 24.024 6.347 1.00 1.03 C ATOM 1076 NZ LYS A 55 7.874 25.352 6.087 1.00 1.48 N ATOM 0 H LYS A 55 3.492 21.923 9.463 1.00 0.42 H new ATOM 0 HA LYS A 55 3.675 24.569 8.484 1.00 0.48 H new ATOM 0 HB2 LYS A 55 3.392 21.813 7.247 1.00 0.55 H new ATOM 0 HB3 LYS A 55 3.475 23.253 6.252 1.00 0.55 H new ATOM 0 HG2 LYS A 55 5.613 22.433 8.247 1.00 1.23 H new ATOM 0 HG3 LYS A 55 5.663 22.065 6.535 1.00 1.23 H new ATOM 0 HD2 LYS A 55 5.228 24.715 6.335 1.00 1.16 H new ATOM 0 HD3 LYS A 55 5.973 24.709 7.922 1.00 1.16 H new ATOM 0 HE2 LYS A 55 7.913 23.442 6.996 1.00 1.03 H new ATOM 0 HE3 LYS A 55 7.170 23.475 5.409 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 8.807 25.222 5.647 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 7.263 25.898 5.447 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 7.983 25.866 6.985 1.00 1.48 H new ATOM 1090 N SER A 56 0.836 23.013 7.823 1.00 0.39 N ATOM 1091 CA SER A 56 -0.518 23.246 7.363 1.00 0.39 C ATOM 1092 C SER A 56 -1.500 22.405 8.170 1.00 0.38 C ATOM 1093 O SER A 56 -1.697 21.226 7.881 1.00 0.38 O ATOM 1094 CB SER A 56 -0.630 22.928 5.868 1.00 0.40 C ATOM 1095 OG SER A 56 -1.909 23.272 5.356 1.00 1.16 O ATOM 0 H SER A 56 1.048 22.041 8.047 1.00 0.39 H new ATOM 0 HA SER A 56 -0.766 24.297 7.510 1.00 0.39 H new ATOM 0 HB2 SER A 56 0.140 23.472 5.321 1.00 0.40 H new ATOM 0 HB3 SER A 56 -0.446 21.866 5.706 1.00 0.40 H new ATOM 0 HG SER A 56 -1.947 23.058 4.400 1.00 1.16 H new ATOM 1101 N PRO A 57 -2.090 23.008 9.218 1.00 0.41 N ATOM 1102 CA PRO A 57 -2.924 22.307 10.205 1.00 0.43 C ATOM 1103 C PRO A 57 -3.860 21.274 9.584 1.00 0.44 C ATOM 1104 O PRO A 57 -3.792 20.083 9.905 1.00 0.45 O ATOM 1105 CB PRO A 57 -3.726 23.446 10.821 1.00 0.48 C ATOM 1106 CG PRO A 57 -2.795 24.605 10.784 1.00 0.58 C ATOM 1107 CD PRO A 57 -1.985 24.448 9.525 1.00 0.45 C ATOM 0 HA PRO A 57 -2.324 21.733 10.911 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -4.635 23.646 10.254 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -4.032 23.212 11.841 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -3.344 25.546 10.779 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -2.151 24.616 11.663 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.382 25.060 8.715 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -0.949 24.751 9.675 1.00 0.45 H new ATOM 1115 N GLU A 58 -4.718 21.753 8.686 1.00 0.47 N ATOM 1116 CA GLU A 58 -5.689 20.910 8.001 1.00 0.51 C ATOM 1117 C GLU A 58 -5.017 19.838 7.149 1.00 0.47 C ATOM 1118 O GLU A 58 -5.571 18.757 6.963 1.00 0.47 O ATOM 1119 CB GLU A 58 -6.609 21.763 7.126 1.00 0.65 C ATOM 1120 CG GLU A 58 -7.616 20.948 6.329 1.00 1.44 C ATOM 1121 CD GLU A 58 -8.525 21.807 5.483 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -8.146 22.130 4.339 1.00 2.45 O ATOM 1123 OE2 GLU A 58 -9.620 22.170 5.956 1.00 2.42 O ATOM 0 H GLU A 58 -4.758 22.735 8.415 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.277 20.406 8.769 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -7.145 22.470 7.758 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -6.001 22.349 6.437 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -7.083 20.248 5.686 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -8.220 20.354 7.015 1.00 1.44 H new ATOM 1130 N LEU A 59 -3.822 20.113 6.640 1.00 0.46 N ATOM 1131 CA LEU A 59 -3.172 19.157 5.759 1.00 0.48 C ATOM 1132 C LEU A 59 -2.713 17.974 6.595 1.00 0.43 C ATOM 1133 O LEU A 59 -2.840 16.815 6.198 1.00 0.47 O ATOM 1134 CB LEU A 59 -1.988 19.797 5.026 1.00 0.56 C ATOM 1135 CG LEU A 59 -1.709 19.262 3.614 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -0.569 20.034 2.977 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -1.386 17.776 3.634 1.00 1.42 C ATOM 0 H LEU A 59 -3.296 20.969 6.817 1.00 0.46 H new ATOM 0 HA LEU A 59 -3.877 18.824 4.997 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -2.164 20.871 4.959 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -1.092 19.657 5.631 1.00 0.56 H new ATOM 0 HG LEU A 59 -2.613 19.400 3.021 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -0.381 19.645 1.976 1.00 1.15 H new ATOM 0 HD12 LEU A 59 -0.835 21.089 2.912 1.00 1.15 H new ATOM 0 HD13 LEU A 59 0.329 19.923 3.584 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -1.194 17.432 2.618 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -0.502 17.604 4.248 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -2.230 17.226 4.050 1.00 1.42 H new ATOM 1149 N GLY A 60 -2.195 18.300 7.778 1.00 0.37 N ATOM 1150 CA GLY A 60 -1.798 17.292 8.733 1.00 0.36 C ATOM 1151 C GLY A 60 -2.973 16.448 9.176 1.00 0.35 C ATOM 1152 O GLY A 60 -2.819 15.274 9.490 1.00 0.36 O ATOM 0 H GLY A 60 -2.044 19.259 8.090 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -1.036 16.651 8.290 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.346 17.771 9.601 1.00 0.36 H new ATOM 1156 N ALA A 61 -4.149 17.056 9.206 1.00 0.37 N ATOM 1157 CA ALA A 61 -5.369 16.327 9.492 1.00 0.42 C ATOM 1158 C ALA A 61 -5.732 15.422 8.318 1.00 0.44 C ATOM 1159 O ALA A 61 -6.102 14.264 8.511 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.502 17.293 9.796 1.00 0.45 C ATOM 0 H ALA A 61 -4.281 18.053 9.035 1.00 0.37 H new ATOM 0 HA ALA A 61 -5.206 15.702 10.370 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -7.412 16.731 10.009 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -6.240 17.901 10.662 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.669 17.941 8.935 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.604 15.954 7.101 1.00 0.45 N ATOM 1167 CA LYS A 62 -5.894 15.194 5.885 1.00 0.50 C ATOM 1168 C LYS A 62 -5.025 13.943 5.792 1.00 0.54 C ATOM 1169 O LYS A 62 -5.519 12.860 5.474 1.00 0.69 O ATOM 1170 CB LYS A 62 -5.700 16.063 4.632 1.00 0.53 C ATOM 1171 CG LYS A 62 -6.750 17.154 4.476 1.00 0.90 C ATOM 1172 CD LYS A 62 -6.641 17.885 3.138 1.00 1.25 C ATOM 1173 CE LYS A 62 -5.412 18.781 3.061 1.00 1.51 C ATOM 1174 NZ LYS A 62 -5.388 19.589 1.808 1.00 2.17 N ATOM 0 H LYS A 62 -5.300 16.913 6.932 1.00 0.45 H new ATOM 0 HA LYS A 62 -6.938 14.884 5.937 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -4.713 16.524 4.669 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -5.720 15.423 3.750 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -7.743 16.713 4.566 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -6.646 17.873 5.289 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -6.605 17.154 2.330 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -7.536 18.487 2.983 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -5.395 19.448 3.923 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -4.512 18.168 3.114 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -4.437 19.985 1.669 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -5.632 18.983 0.999 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -6.078 20.363 1.881 1.00 2.17 H new ATOM 1188 N VAL A 63 -3.734 14.089 6.068 1.00 0.45 N ATOM 1189 CA VAL A 63 -2.822 12.954 6.022 1.00 0.48 C ATOM 1190 C VAL A 63 -3.055 12.012 7.203 1.00 0.46 C ATOM 1191 O VAL A 63 -2.918 10.795 7.073 1.00 0.53 O ATOM 1192 CB VAL A 63 -1.345 13.411 5.982 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -0.997 14.231 7.205 1.00 1.12 C ATOM 1194 CG2 VAL A 63 -0.405 12.220 5.839 1.00 1.12 C ATOM 0 H VAL A 63 -3.299 14.975 6.324 1.00 0.45 H new ATOM 0 HA VAL A 63 -3.031 12.411 5.100 1.00 0.48 H new ATOM 0 HB VAL A 63 -1.217 14.045 5.105 1.00 0.48 H new ATOM 0 HG11 VAL A 63 0.047 14.539 7.151 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.635 15.114 7.244 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -1.152 13.631 8.102 1.00 1.12 H new ATOM 0 HG21 VAL A 63 0.626 12.572 5.814 1.00 1.12 H new ATOM 0 HG22 VAL A 63 -0.538 11.547 6.686 1.00 1.12 H new ATOM 0 HG23 VAL A 63 -0.630 11.688 4.915 1.00 1.12 H new ATOM 1198 N GLU A 64 -3.436 12.572 8.346 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.661 11.773 9.541 1.00 0.42 C ATOM 1200 C GLU A 64 -4.892 10.893 9.389 1.00 0.50 C ATOM 1201 O GLU A 64 -4.813 9.682 9.585 1.00 0.55 O ATOM 1202 CB GLU A 64 -3.811 12.654 10.778 1.00 0.42 C ATOM 1203 CG GLU A 64 -3.994 11.855 12.058 1.00 0.53 C ATOM 1204 CD GLU A 64 -4.234 12.729 13.265 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -5.390 13.157 13.479 1.00 1.66 O ATOM 1206 OE2 GLU A 64 -3.274 12.990 14.015 1.00 1.70 O ATOM 0 H GLU A 64 -3.594 13.572 8.468 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.786 11.136 9.670 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -2.930 13.288 10.875 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -4.666 13.316 10.644 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -4.835 11.172 11.937 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -3.108 11.243 12.229 1.00 0.53 H new ATOM 1213 N LYS A 65 -6.024 11.496 9.027 1.00 0.58 N ATOM 1214 CA LYS A 65 -7.280 10.754 8.932 1.00 0.69 C ATOM 1215 C LYS A 65 -7.147 9.625 7.919 1.00 0.71 C ATOM 1216 O LYS A 65 -7.686 8.531 8.101 1.00 0.76 O ATOM 1217 CB LYS A 65 -8.441 11.684 8.549 1.00 0.84 C ATOM 1218 CG LYS A 65 -8.250 12.401 7.219 1.00 1.92 C ATOM 1219 CD LYS A 65 -9.398 13.350 6.911 1.00 2.40 C ATOM 1220 CE LYS A 65 -10.686 12.604 6.592 1.00 3.23 C ATOM 1221 NZ LYS A 65 -10.570 11.793 5.352 1.00 3.96 N ATOM 0 H LYS A 65 -6.097 12.487 8.797 1.00 0.58 H new ATOM 0 HA LYS A 65 -7.500 10.326 9.910 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -9.361 11.101 8.506 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -8.571 12.428 9.335 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -7.314 12.959 7.240 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -8.164 11.665 6.420 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -9.562 14.009 7.764 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -9.128 13.984 6.066 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -10.944 11.953 7.427 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -11.501 13.319 6.482 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -11.518 11.510 5.032 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -10.108 12.357 4.610 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -10.002 10.943 5.545 1.00 3.96 H new ATOM 1235 N LEU A 66 -6.402 9.911 6.858 1.00 0.72 N ATOM 1236 CA LEU A 66 -6.113 8.944 5.815 1.00 0.80 C ATOM 1237 C LEU A 66 -5.245 7.818 6.359 1.00 0.76 C ATOM 1238 O LEU A 66 -5.532 6.639 6.143 1.00 1.07 O ATOM 1239 CB LEU A 66 -5.421 9.668 4.639 1.00 0.84 C ATOM 1240 CG LEU A 66 -4.926 8.809 3.463 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -3.606 8.114 3.785 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -5.984 7.794 3.064 1.00 1.37 C ATOM 0 H LEU A 66 -5.981 10.826 6.699 1.00 0.72 H new ATOM 0 HA LEU A 66 -7.041 8.496 5.459 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -6.117 10.408 4.244 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -4.567 10.215 5.038 1.00 0.84 H new ATOM 0 HG LEU A 66 -4.745 9.477 2.621 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -3.291 7.517 2.929 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -2.845 8.863 4.006 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -3.738 7.465 4.651 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -5.617 7.195 2.231 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -6.202 7.143 3.911 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -6.893 8.315 2.764 1.00 1.37 H new ATOM 1254 N HIS A 67 -4.213 8.174 7.097 1.00 0.52 N ATOM 1255 CA HIS A 67 -3.225 7.198 7.503 1.00 0.55 C ATOM 1256 C HIS A 67 -3.780 6.365 8.644 1.00 0.44 C ATOM 1257 O HIS A 67 -3.413 5.210 8.820 1.00 0.45 O ATOM 1258 CB HIS A 67 -1.913 7.883 7.898 1.00 0.67 C ATOM 1259 CG HIS A 67 -0.756 6.939 7.983 1.00 0.94 C ATOM 1260 ND1 HIS A 67 0.123 6.725 6.944 1.00 1.62 N ATOM 1261 CD2 HIS A 67 -0.340 6.147 8.990 1.00 1.85 C ATOM 1262 CE1 HIS A 67 1.027 5.837 7.313 1.00 2.13 C ATOM 1263 NE2 HIS A 67 0.772 5.471 8.553 1.00 2.34 N ATOM 0 H HIS A 67 -4.038 9.124 7.425 1.00 0.52 H new ATOM 0 HA HIS A 67 -3.004 6.538 6.664 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -1.685 8.662 7.171 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -2.044 8.375 8.862 1.00 0.67 H new ATOM 0 HD2 HIS A 67 -0.798 6.060 9.964 1.00 1.85 H new ATOM 0 HE1 HIS A 67 1.839 5.472 6.702 1.00 2.13 H new ATOM 0 HE2 HIS A 67 1.311 4.798 9.097 1.00 2.34 H new ATOM 1272 N ALA A 68 -4.680 6.970 9.396 1.00 0.39 N ATOM 1273 CA ALA A 68 -5.380 6.300 10.478 1.00 0.36 C ATOM 1274 C ALA A 68 -6.261 5.165 9.956 1.00 0.34 C ATOM 1275 O ALA A 68 -6.309 4.092 10.556 1.00 0.37 O ATOM 1276 CB ALA A 68 -6.209 7.324 11.229 1.00 0.40 C ATOM 0 H ALA A 68 -4.948 7.946 9.273 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.650 5.851 11.151 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -6.740 6.834 12.045 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -5.554 8.096 11.634 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -6.929 7.779 10.549 1.00 0.40 H new ATOM 1282 N MET A 69 -6.961 5.400 8.842 1.00 0.33 N ATOM 1283 CA MET A 69 -7.752 4.342 8.203 1.00 0.37 C ATOM 1284 C MET A 69 -6.840 3.195 7.823 1.00 0.37 C ATOM 1285 O MET A 69 -7.094 2.033 8.142 1.00 0.42 O ATOM 1286 CB MET A 69 -8.442 4.833 6.931 1.00 0.46 C ATOM 1287 CG MET A 69 -9.451 5.943 7.136 1.00 0.44 C ATOM 1288 SD MET A 69 -10.367 6.303 5.623 1.00 0.72 S ATOM 1289 CE MET A 69 -9.023 6.547 4.461 1.00 0.55 C ATOM 0 H MET A 69 -6.997 6.302 8.368 1.00 0.33 H new ATOM 0 HA MET A 69 -8.513 4.028 8.918 1.00 0.37 H new ATOM 0 HB2 MET A 69 -7.680 5.180 6.233 1.00 0.46 H new ATOM 0 HB3 MET A 69 -8.945 3.988 6.460 1.00 0.46 H new ATOM 0 HG2 MET A 69 -10.148 5.660 7.924 1.00 0.44 H new ATOM 0 HG3 MET A 69 -8.938 6.843 7.473 1.00 0.44 H new ATOM 0 HE1 MET A 69 -9.276 7.356 3.776 1.00 0.55 H new ATOM 0 HE2 MET A 69 -8.114 6.803 5.005 1.00 0.55 H new ATOM 0 HE3 MET A 69 -8.861 5.630 3.895 1.00 0.55 H new ATOM 1299 N VAL A 70 -5.774 3.559 7.127 1.00 0.36 N ATOM 1300 CA VAL A 70 -4.735 2.641 6.727 1.00 0.39 C ATOM 1301 C VAL A 70 -4.221 1.860 7.931 1.00 0.38 C ATOM 1302 O VAL A 70 -4.122 0.635 7.903 1.00 0.38 O ATOM 1303 CB VAL A 70 -3.590 3.437 6.077 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -2.393 2.557 5.793 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -4.083 4.110 4.805 1.00 0.70 C ATOM 0 H VAL A 70 -5.610 4.518 6.822 1.00 0.36 H new ATOM 0 HA VAL A 70 -5.138 1.927 6.009 1.00 0.39 H new ATOM 0 HB VAL A 70 -3.266 4.205 6.780 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -1.604 3.153 5.334 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -2.028 2.128 6.726 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -2.684 1.755 5.114 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -3.267 4.672 4.351 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -4.435 3.352 4.105 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -4.901 4.789 5.046 1.00 0.70 H new ATOM 1309 N LYS A 71 -3.926 2.588 8.997 1.00 0.40 N ATOM 1310 CA LYS A 71 -3.440 1.996 10.234 1.00 0.43 C ATOM 1311 C LYS A 71 -4.456 1.038 10.840 1.00 0.44 C ATOM 1312 O LYS A 71 -4.083 -0.020 11.324 1.00 0.45 O ATOM 1313 CB LYS A 71 -3.090 3.091 11.240 1.00 0.48 C ATOM 1314 CG LYS A 71 -1.735 3.738 11.005 1.00 1.22 C ATOM 1315 CD LYS A 71 -0.598 2.767 11.275 1.00 1.30 C ATOM 1316 CE LYS A 71 -0.609 2.299 12.723 1.00 0.75 C ATOM 1317 NZ LYS A 71 -0.299 3.399 13.678 1.00 1.47 N ATOM 0 H LYS A 71 -4.016 3.603 9.029 1.00 0.40 H new ATOM 0 HA LYS A 71 -2.544 1.423 9.995 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -3.860 3.862 11.205 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -3.109 2.667 12.244 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -1.674 4.094 9.976 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -1.631 4.610 11.650 1.00 1.22 H new ATOM 0 HD2 LYS A 71 -0.685 1.907 10.611 1.00 1.30 H new ATOM 0 HD3 LYS A 71 0.355 3.247 11.052 1.00 1.30 H new ATOM 0 HE2 LYS A 71 -1.588 1.881 12.959 1.00 0.75 H new ATOM 0 HE3 LYS A 71 0.119 1.497 12.848 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 -0.202 3.009 14.637 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 0.591 3.860 13.400 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 -1.069 4.097 13.665 1.00 1.47 H new ATOM 1331 N SER A 72 -5.725 1.409 10.811 1.00 0.45 N ATOM 1332 CA SER A 72 -6.785 0.566 11.356 1.00 0.49 C ATOM 1333 C SER A 72 -6.807 -0.799 10.659 1.00 0.45 C ATOM 1334 O SER A 72 -6.979 -1.839 11.300 1.00 0.49 O ATOM 1335 CB SER A 72 -8.137 1.271 11.197 1.00 0.56 C ATOM 1336 OG SER A 72 -9.176 0.557 11.842 1.00 1.26 O ATOM 0 H SER A 72 -6.051 2.291 10.415 1.00 0.45 H new ATOM 0 HA SER A 72 -6.591 0.399 12.416 1.00 0.49 H new ATOM 0 HB2 SER A 72 -8.074 2.277 11.612 1.00 0.56 H new ATOM 0 HB3 SER A 72 -8.371 1.377 10.138 1.00 0.56 H new ATOM 0 HG SER A 72 -10.024 1.034 11.723 1.00 1.26 H new ATOM 1342 N LYS A 73 -6.613 -0.783 9.351 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.602 -1.998 8.550 1.00 0.38 C ATOM 1344 C LYS A 73 -5.310 -2.782 8.776 1.00 0.33 C ATOM 1345 O LYS A 73 -5.331 -4.003 8.903 1.00 0.38 O ATOM 1346 CB LYS A 73 -6.767 -1.643 7.072 1.00 0.44 C ATOM 1347 CG LYS A 73 -7.984 -0.782 6.795 1.00 0.62 C ATOM 1348 CD LYS A 73 -8.034 -0.337 5.344 1.00 0.78 C ATOM 1349 CE LYS A 73 -9.250 0.530 5.068 1.00 0.88 C ATOM 1350 NZ LYS A 73 -10.520 -0.187 5.356 1.00 1.54 N ATOM 0 H LYS A 73 -6.459 0.070 8.814 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.435 -2.630 8.856 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -5.874 -1.120 6.729 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -6.841 -2.562 6.491 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -8.888 -1.341 7.036 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -7.967 0.093 7.444 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -7.128 0.218 5.101 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -8.055 -1.212 4.695 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -9.197 1.433 5.676 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -9.241 0.847 4.025 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -11.316 0.336 4.939 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -10.480 -1.142 4.946 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -10.653 -0.258 6.385 1.00 1.54 H new ATOM 1364 N ILE A 74 -4.191 -2.072 8.842 1.00 0.28 N ATOM 1365 CA ILE A 74 -2.898 -2.693 9.117 1.00 0.28 C ATOM 1366 C ILE A 74 -2.846 -3.219 10.554 1.00 0.28 C ATOM 1367 O ILE A 74 -2.106 -4.150 10.869 1.00 0.30 O ATOM 1368 CB ILE A 74 -1.747 -1.691 8.860 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -1.745 -1.299 7.384 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.401 -2.273 9.261 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -0.656 -0.325 7.001 1.00 0.32 C ATOM 0 H ILE A 74 -4.151 -1.062 8.709 1.00 0.28 H new ATOM 0 HA ILE A 74 -2.773 -3.538 8.440 1.00 0.28 H new ATOM 0 HB ILE A 74 -1.911 -0.806 9.474 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.638 -2.201 6.781 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -2.712 -0.861 7.135 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.384 -1.542 9.067 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.413 -2.519 10.323 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.208 -3.176 8.681 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -0.727 -0.100 5.937 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -0.772 0.595 7.575 1.00 0.32 H new ATOM 0 HD13 ILE A 74 0.318 -0.765 7.215 1.00 0.32 H new ATOM 1378 N ALA A 75 -3.662 -2.628 11.410 1.00 0.31 N ATOM 1379 CA ALA A 75 -3.777 -3.056 12.800 1.00 0.32 C ATOM 1380 C ALA A 75 -4.489 -4.393 12.873 1.00 0.32 C ATOM 1381 O ALA A 75 -4.137 -5.267 13.667 1.00 0.35 O ATOM 1382 CB ALA A 75 -4.540 -2.020 13.611 1.00 0.34 C ATOM 0 H ALA A 75 -4.263 -1.841 11.166 1.00 0.31 H new ATOM 0 HA ALA A 75 -2.775 -3.160 13.217 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -4.618 -2.353 14.646 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -4.011 -1.068 13.575 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -5.539 -1.895 13.194 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.503 -4.531 12.036 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.263 -5.756 11.930 1.00 0.32 C ATOM 1390 C ALA A 76 -5.418 -6.837 11.268 1.00 0.34 C ATOM 1391 O ALA A 76 -5.389 -7.984 11.717 1.00 0.49 O ATOM 1392 CB ALA A 76 -7.525 -5.486 11.124 1.00 0.35 C ATOM 0 H ALA A 76 -5.820 -3.791 11.410 1.00 0.31 H new ATOM 0 HA ALA A 76 -6.543 -6.107 12.923 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.105 -6.405 11.038 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -8.122 -4.725 11.627 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.253 -5.135 10.129 1.00 0.35 H new ATOM 1398 N LEU A 77 -4.770 -6.448 10.172 1.00 0.34 N ATOM 1399 CA LEU A 77 -3.845 -7.301 9.426 1.00 0.31 C ATOM 1400 C LEU A 77 -2.950 -8.139 10.337 1.00 0.32 C ATOM 1401 O LEU A 77 -2.366 -7.632 11.303 1.00 0.33 O ATOM 1402 CB LEU A 77 -2.986 -6.410 8.522 1.00 0.30 C ATOM 1403 CG LEU A 77 -2.395 -7.072 7.277 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -3.432 -7.949 6.596 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -1.915 -6.001 6.314 1.00 0.58 C ATOM 0 H LEU A 77 -4.874 -5.516 9.770 1.00 0.34 H new ATOM 0 HA LEU A 77 -4.432 -8.005 8.836 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -3.592 -5.562 8.203 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.166 -6.009 9.118 1.00 0.30 H new ATOM 0 HG LEU A 77 -1.555 -7.698 7.576 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -2.993 -8.412 5.712 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -3.762 -8.725 7.286 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -4.286 -7.340 6.300 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -1.494 -6.472 5.426 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -2.755 -5.369 6.025 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -1.152 -5.392 6.798 1.00 0.58 H new ATOM 1417 N GLY A 78 -2.856 -9.425 10.022 1.00 0.36 N ATOM 1418 CA GLY A 78 -2.010 -10.322 10.782 1.00 0.42 C ATOM 1419 C GLY A 78 -0.538 -9.999 10.621 1.00 0.46 C ATOM 1420 O GLY A 78 -0.154 -9.351 9.646 1.00 0.76 O ATOM 0 H GLY A 78 -3.355 -9.864 9.248 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -2.279 -10.265 11.837 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -2.192 -11.348 10.462 1.00 0.42 H new ATOM 1424 N PRO A 79 0.310 -10.456 11.561 1.00 0.66 N ATOM 1425 CA PRO A 79 1.747 -10.139 11.591 1.00 0.86 C ATOM 1426 C PRO A 79 2.440 -10.299 10.239 1.00 0.60 C ATOM 1427 O PRO A 79 3.266 -9.466 9.852 1.00 0.64 O ATOM 1428 CB PRO A 79 2.307 -11.153 12.588 1.00 1.32 C ATOM 1429 CG PRO A 79 1.173 -11.447 13.507 1.00 1.56 C ATOM 1430 CD PRO A 79 -0.080 -11.329 12.685 1.00 1.10 C ATOM 0 HA PRO A 79 1.913 -9.096 11.859 1.00 0.86 H new ATOM 0 HB2 PRO A 79 2.652 -12.056 12.083 1.00 1.32 H new ATOM 0 HB3 PRO A 79 3.160 -10.745 13.130 1.00 1.32 H new ATOM 0 HG2 PRO A 79 1.266 -12.446 13.932 1.00 1.56 H new ATOM 0 HG3 PRO A 79 1.158 -10.746 14.342 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.420 -12.303 12.334 1.00 1.10 H new ATOM 0 HD3 PRO A 79 -0.897 -10.895 13.262 1.00 1.10 H new ATOM 1438 N GLU A 80 2.088 -11.362 9.522 1.00 0.51 N ATOM 1439 CA GLU A 80 2.703 -11.663 8.240 1.00 0.49 C ATOM 1440 C GLU A 80 2.404 -10.563 7.239 1.00 0.42 C ATOM 1441 O GLU A 80 3.309 -9.971 6.651 1.00 0.49 O ATOM 1442 CB GLU A 80 2.173 -12.995 7.704 1.00 0.70 C ATOM 1443 CG GLU A 80 2.916 -13.497 6.474 1.00 1.25 C ATOM 1444 CD GLU A 80 4.376 -13.780 6.757 1.00 1.79 C ATOM 1445 OE1 GLU A 80 4.691 -14.881 7.260 1.00 2.52 O ATOM 1446 OE2 GLU A 80 5.219 -12.906 6.470 1.00 2.19 O ATOM 0 H GLU A 80 1.375 -12.031 9.812 1.00 0.51 H new ATOM 0 HA GLU A 80 3.781 -11.732 8.383 1.00 0.49 H new ATOM 0 HB2 GLU A 80 2.241 -13.746 8.491 1.00 0.70 H new ATOM 0 HB3 GLU A 80 1.117 -12.884 7.460 1.00 0.70 H new ATOM 0 HG2 GLU A 80 2.437 -14.405 6.109 1.00 1.25 H new ATOM 0 HG3 GLU A 80 2.840 -12.755 5.679 1.00 1.25 H new ATOM 1453 N ALA A 81 1.128 -10.267 7.077 1.00 0.36 N ATOM 1454 CA ALA A 81 0.713 -9.331 6.049 1.00 0.34 C ATOM 1455 C ALA A 81 0.966 -7.894 6.482 1.00 0.31 C ATOM 1456 O ALA A 81 1.212 -7.018 5.653 1.00 0.32 O ATOM 1457 CB ALA A 81 -0.738 -9.558 5.673 1.00 0.36 C ATOM 0 H ALA A 81 0.369 -10.656 7.637 1.00 0.36 H new ATOM 0 HA ALA A 81 1.316 -9.509 5.159 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -1.029 -8.846 4.901 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -0.862 -10.573 5.296 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.368 -9.418 6.552 1.00 0.36 H new ATOM 1463 N LYS A 82 0.917 -7.669 7.790 1.00 0.31 N ATOM 1464 CA LYS A 82 1.204 -6.361 8.367 1.00 0.33 C ATOM 1465 C LYS A 82 2.605 -5.903 7.982 1.00 0.33 C ATOM 1466 O LYS A 82 2.808 -4.743 7.622 1.00 0.32 O ATOM 1467 CB LYS A 82 1.075 -6.404 9.890 1.00 0.41 C ATOM 1468 CG LYS A 82 1.072 -5.024 10.529 1.00 0.60 C ATOM 1469 CD LYS A 82 0.923 -5.093 12.037 1.00 0.86 C ATOM 1470 CE LYS A 82 2.203 -5.553 12.708 1.00 1.33 C ATOM 1471 NZ LYS A 82 3.273 -4.523 12.640 1.00 2.04 N ATOM 0 H LYS A 82 0.679 -8.384 8.477 1.00 0.31 H new ATOM 0 HA LYS A 82 0.478 -5.651 7.972 1.00 0.33 H new ATOM 0 HB2 LYS A 82 0.154 -6.923 10.156 1.00 0.41 H new ATOM 0 HB3 LYS A 82 1.899 -6.986 10.302 1.00 0.41 H new ATOM 0 HG2 LYS A 82 1.999 -4.508 10.280 1.00 0.60 H new ATOM 0 HG3 LYS A 82 0.257 -4.433 10.111 1.00 0.60 H new ATOM 0 HD2 LYS A 82 0.644 -4.111 12.420 1.00 0.86 H new ATOM 0 HD3 LYS A 82 0.113 -5.777 12.292 1.00 0.86 H new ATOM 0 HE2 LYS A 82 1.998 -5.794 13.751 1.00 1.33 H new ATOM 0 HE3 LYS A 82 2.552 -6.469 12.232 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 4.059 -4.797 13.264 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 3.618 -4.445 11.662 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 2.891 -3.605 12.946 1.00 2.04 H new ATOM 1485 N GLY A 83 3.562 -6.826 8.038 1.00 0.37 N ATOM 1486 CA GLY A 83 4.926 -6.502 7.670 1.00 0.41 C ATOM 1487 C GLY A 83 5.022 -6.040 6.235 1.00 0.39 C ATOM 1488 O GLY A 83 5.715 -5.068 5.929 1.00 0.41 O ATOM 0 H GLY A 83 3.415 -7.792 8.332 1.00 0.37 H new ATOM 0 HA2 GLY A 83 5.306 -5.722 8.330 1.00 0.41 H new ATOM 0 HA3 GLY A 83 5.560 -7.377 7.814 1.00 0.41 H new ATOM 1492 N PHE A 84 4.308 -6.729 5.356 1.00 0.37 N ATOM 1493 CA PHE A 84 4.261 -6.358 3.953 1.00 0.37 C ATOM 1494 C PHE A 84 3.573 -5.010 3.768 1.00 0.34 C ATOM 1495 O PHE A 84 4.066 -4.155 3.038 1.00 0.37 O ATOM 1496 CB PHE A 84 3.544 -7.433 3.134 1.00 0.39 C ATOM 1497 CG PHE A 84 3.160 -6.970 1.757 1.00 0.74 C ATOM 1498 CD1 PHE A 84 4.128 -6.615 0.834 1.00 0.71 C ATOM 1499 CD2 PHE A 84 1.827 -6.876 1.393 1.00 1.22 C ATOM 1500 CE1 PHE A 84 3.775 -6.174 -0.423 1.00 1.13 C ATOM 1501 CE2 PHE A 84 1.470 -6.439 0.134 1.00 1.65 C ATOM 1502 CZ PHE A 84 2.446 -6.085 -0.774 1.00 1.59 C ATOM 0 H PHE A 84 3.752 -7.551 5.593 1.00 0.37 H new ATOM 0 HA PHE A 84 5.287 -6.272 3.595 1.00 0.37 H new ATOM 0 HB2 PHE A 84 4.190 -8.307 3.050 1.00 0.39 H new ATOM 0 HB3 PHE A 84 2.647 -7.749 3.667 1.00 0.39 H new ATOM 0 HD1 PHE A 84 5.172 -6.684 1.102 1.00 0.71 H new ATOM 0 HD2 PHE A 84 1.059 -7.148 2.102 1.00 1.22 H new ATOM 0 HE1 PHE A 84 4.541 -5.898 -1.133 1.00 1.13 H new ATOM 0 HE2 PHE A 84 0.427 -6.374 -0.140 1.00 1.65 H new ATOM 0 HZ PHE A 84 2.169 -5.739 -1.759 1.00 1.59 H new ATOM 1512 N ALA A 85 2.437 -4.827 4.431 1.00 0.30 N ATOM 1513 CA ALA A 85 1.660 -3.597 4.306 1.00 0.30 C ATOM 1514 C ALA A 85 2.491 -2.376 4.676 1.00 0.32 C ATOM 1515 O ALA A 85 2.568 -1.409 3.920 1.00 0.41 O ATOM 1516 CB ALA A 85 0.425 -3.668 5.187 1.00 0.28 C ATOM 0 H ALA A 85 2.031 -5.517 5.063 1.00 0.30 H new ATOM 0 HA ALA A 85 1.356 -3.497 3.264 1.00 0.30 H new ATOM 0 HB1 ALA A 85 -0.147 -2.746 5.086 1.00 0.28 H new ATOM 0 HB2 ALA A 85 -0.192 -4.513 4.881 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.727 -3.796 6.227 1.00 0.28 H new ATOM 1522 N GLU A 86 3.137 -2.449 5.829 1.00 0.31 N ATOM 1523 CA GLU A 86 3.915 -1.330 6.342 1.00 0.37 C ATOM 1524 C GLU A 86 5.148 -1.072 5.478 1.00 0.44 C ATOM 1525 O GLU A 86 5.676 0.039 5.451 1.00 0.70 O ATOM 1526 CB GLU A 86 4.316 -1.593 7.795 1.00 0.43 C ATOM 1527 CG GLU A 86 3.123 -1.685 8.734 1.00 0.55 C ATOM 1528 CD GLU A 86 3.507 -2.092 10.142 1.00 0.95 C ATOM 1529 OE1 GLU A 86 3.822 -3.281 10.357 1.00 1.96 O ATOM 1530 OE2 GLU A 86 3.508 -1.227 11.040 1.00 1.11 O ATOM 0 H GLU A 86 3.138 -3.273 6.430 1.00 0.31 H new ATOM 0 HA GLU A 86 3.294 -0.435 6.305 1.00 0.37 H new ATOM 0 HB2 GLU A 86 4.884 -2.522 7.847 1.00 0.43 H new ATOM 0 HB3 GLU A 86 4.977 -0.795 8.134 1.00 0.43 H new ATOM 0 HG2 GLU A 86 2.618 -0.720 8.766 1.00 0.55 H new ATOM 0 HG3 GLU A 86 2.409 -2.406 8.336 1.00 0.55 H new ATOM 1537 N LYS A 87 5.591 -2.095 4.761 1.00 0.41 N ATOM 1538 CA LYS A 87 6.736 -1.971 3.884 1.00 0.49 C ATOM 1539 C LYS A 87 6.317 -1.449 2.508 1.00 0.49 C ATOM 1540 O LYS A 87 6.894 -0.487 2.001 1.00 0.57 O ATOM 1541 CB LYS A 87 7.425 -3.331 3.751 1.00 0.57 C ATOM 1542 CG LYS A 87 8.604 -3.330 2.799 1.00 0.69 C ATOM 1543 CD LYS A 87 9.699 -2.382 3.261 1.00 1.25 C ATOM 1544 CE LYS A 87 10.932 -2.474 2.377 1.00 1.75 C ATOM 1545 NZ LYS A 87 11.587 -3.806 2.466 1.00 2.12 N ATOM 0 H LYS A 87 5.169 -3.023 4.773 1.00 0.41 H new ATOM 0 HA LYS A 87 7.433 -1.253 4.315 1.00 0.49 H new ATOM 0 HB2 LYS A 87 7.765 -3.653 4.735 1.00 0.57 H new ATOM 0 HB3 LYS A 87 6.695 -4.065 3.410 1.00 0.57 H new ATOM 0 HG2 LYS A 87 9.007 -4.339 2.718 1.00 0.69 H new ATOM 0 HG3 LYS A 87 8.268 -3.040 1.804 1.00 0.69 H new ATOM 0 HD2 LYS A 87 9.322 -1.359 3.254 1.00 1.25 H new ATOM 0 HD3 LYS A 87 9.971 -2.614 4.291 1.00 1.25 H new ATOM 0 HE2 LYS A 87 10.651 -2.277 1.342 1.00 1.75 H new ATOM 0 HE3 LYS A 87 11.644 -1.701 2.667 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 12.537 -3.755 2.046 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 11.665 -4.089 3.464 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 11.018 -4.508 1.951 1.00 2.12 H new ATOM 1559 N SER A 88 5.299 -2.072 1.927 1.00 0.46 N ATOM 1560 CA SER A 88 4.849 -1.731 0.581 1.00 0.51 C ATOM 1561 C SER A 88 4.357 -0.291 0.511 1.00 0.51 C ATOM 1562 O SER A 88 4.633 0.423 -0.455 1.00 0.57 O ATOM 1563 CB SER A 88 3.742 -2.688 0.137 1.00 0.56 C ATOM 1564 OG SER A 88 2.723 -2.779 1.116 1.00 0.48 O ATOM 0 H SER A 88 4.766 -2.821 2.369 1.00 0.46 H new ATOM 0 HA SER A 88 5.699 -1.830 -0.094 1.00 0.51 H new ATOM 0 HB2 SER A 88 3.316 -2.343 -0.805 1.00 0.56 H new ATOM 0 HB3 SER A 88 4.164 -3.676 -0.046 1.00 0.56 H new ATOM 0 HG SER A 88 3.023 -3.359 1.847 1.00 0.48 H new ATOM 1570 N ILE A 89 3.635 0.132 1.542 1.00 0.50 N ATOM 1571 CA ILE A 89 3.125 1.487 1.603 1.00 0.56 C ATOM 1572 C ILE A 89 4.257 2.504 1.622 1.00 0.55 C ATOM 1573 O ILE A 89 4.146 3.549 1.001 1.00 0.59 O ATOM 1574 CB ILE A 89 2.205 1.690 2.820 1.00 0.63 C ATOM 1575 CG1 ILE A 89 0.916 0.889 2.626 1.00 0.83 C ATOM 1576 CG2 ILE A 89 1.897 3.166 3.033 1.00 0.79 C ATOM 1577 CD1 ILE A 89 -0.086 1.078 3.737 1.00 1.09 C ATOM 0 H ILE A 89 3.392 -0.448 2.345 1.00 0.50 H new ATOM 0 HA ILE A 89 2.535 1.647 0.701 1.00 0.56 H new ATOM 0 HB ILE A 89 2.718 1.330 3.712 1.00 0.63 H new ATOM 0 HG12 ILE A 89 0.457 1.179 1.681 1.00 0.83 H new ATOM 0 HG13 ILE A 89 1.164 -0.170 2.548 1.00 0.83 H new ATOM 0 HG21 ILE A 89 1.245 3.280 3.899 1.00 0.79 H new ATOM 0 HG22 ILE A 89 2.826 3.711 3.203 1.00 0.79 H new ATOM 0 HG23 ILE A 89 1.399 3.565 2.149 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -0.974 0.480 3.532 1.00 1.09 H new ATOM 0 HD12 ILE A 89 0.355 0.761 4.682 1.00 1.09 H new ATOM 0 HD13 ILE A 89 -0.364 2.130 3.801 1.00 1.09 H new ATOM 1584 N GLU A 90 5.353 2.188 2.303 1.00 0.53 N ATOM 1585 CA GLU A 90 6.497 3.094 2.339 1.00 0.60 C ATOM 1586 C GLU A 90 7.179 3.157 0.975 1.00 0.56 C ATOM 1587 O GLU A 90 7.635 4.219 0.551 1.00 0.63 O ATOM 1588 CB GLU A 90 7.498 2.684 3.419 1.00 0.69 C ATOM 1589 CG GLU A 90 7.035 3.021 4.826 1.00 1.28 C ATOM 1590 CD GLU A 90 6.661 4.483 4.977 1.00 2.08 C ATOM 1591 OE1 GLU A 90 7.550 5.353 4.852 1.00 2.41 O ATOM 1592 OE2 GLU A 90 5.472 4.774 5.226 1.00 2.82 O ATOM 0 H GLU A 90 5.474 1.324 2.831 1.00 0.53 H new ATOM 0 HA GLU A 90 6.124 4.088 2.587 1.00 0.60 H new ATOM 0 HB2 GLU A 90 7.677 1.611 3.350 1.00 0.69 H new ATOM 0 HB3 GLU A 90 8.450 3.179 3.229 1.00 0.69 H new ATOM 0 HG2 GLU A 90 6.176 2.401 5.081 1.00 1.28 H new ATOM 0 HG3 GLU A 90 7.826 2.776 5.534 1.00 1.28 H new ATOM 1599 N ILE A 91 7.228 2.023 0.285 1.00 0.47 N ATOM 1600 CA ILE A 91 7.761 1.981 -1.067 1.00 0.46 C ATOM 1601 C ILE A 91 6.912 2.860 -1.986 1.00 0.47 C ATOM 1602 O ILE A 91 7.428 3.704 -2.722 1.00 0.51 O ATOM 1603 CB ILE A 91 7.791 0.539 -1.624 1.00 0.43 C ATOM 1604 CG1 ILE A 91 8.635 -0.378 -0.729 1.00 0.43 C ATOM 1605 CG2 ILE A 91 8.340 0.542 -3.041 1.00 0.49 C ATOM 1606 CD1 ILE A 91 8.635 -1.833 -1.169 1.00 0.45 C ATOM 0 H ILE A 91 6.905 1.123 0.641 1.00 0.47 H new ATOM 0 HA ILE A 91 8.785 2.354 -1.031 1.00 0.46 H new ATOM 0 HB ILE A 91 6.771 0.154 -1.637 1.00 0.43 H new ATOM 0 HG12 ILE A 91 9.662 -0.012 -0.715 1.00 0.43 H new ATOM 0 HG13 ILE A 91 8.261 -0.317 0.293 1.00 0.43 H new ATOM 0 HG21 ILE A 91 8.358 -0.477 -3.426 1.00 0.49 H new ATOM 0 HG22 ILE A 91 7.704 1.159 -3.676 1.00 0.49 H new ATOM 0 HG23 ILE A 91 9.352 0.947 -3.038 1.00 0.49 H new ATOM 0 HD11 ILE A 91 9.253 -2.419 -0.488 1.00 0.45 H new ATOM 0 HD12 ILE A 91 7.615 -2.217 -1.155 1.00 0.45 H new ATOM 0 HD13 ILE A 91 9.037 -1.908 -2.179 1.00 0.45 H new ATOM 1613 N ALA A 92 5.600 2.671 -1.909 1.00 0.47 N ATOM 1614 CA ALA A 92 4.660 3.434 -2.717 1.00 0.53 C ATOM 1615 C ALA A 92 4.596 4.888 -2.259 1.00 0.60 C ATOM 1616 O ALA A 92 4.329 5.790 -3.057 1.00 0.64 O ATOM 1617 CB ALA A 92 3.280 2.794 -2.647 1.00 0.56 C ATOM 0 H ALA A 92 5.162 1.990 -1.289 1.00 0.47 H new ATOM 0 HA ALA A 92 5.007 3.424 -3.750 1.00 0.53 H new ATOM 0 HB1 ALA A 92 2.581 3.370 -3.254 1.00 0.56 H new ATOM 0 HB2 ALA A 92 3.333 1.773 -3.025 1.00 0.56 H new ATOM 0 HB3 ALA A 92 2.937 2.781 -1.612 1.00 0.56 H new ATOM 1623 N ARG A 93 4.815 5.097 -0.970 1.00 0.66 N ATOM 1624 CA ARG A 93 4.838 6.433 -0.387 1.00 0.77 C ATOM 1625 C ARG A 93 5.977 7.243 -0.981 1.00 0.68 C ATOM 1626 O ARG A 93 5.803 8.412 -1.313 1.00 0.68 O ATOM 1627 CB ARG A 93 4.991 6.353 1.139 1.00 0.99 C ATOM 1628 CG ARG A 93 4.911 7.698 1.847 1.00 1.55 C ATOM 1629 CD ARG A 93 3.539 8.337 1.693 1.00 1.83 C ATOM 1630 NE ARG A 93 3.466 9.646 2.349 1.00 2.71 N ATOM 1631 CZ ARG A 93 2.894 10.725 1.808 1.00 3.44 C ATOM 1632 NH1 ARG A 93 2.339 10.659 0.604 1.00 3.55 N ATOM 1633 NH2 ARG A 93 2.878 11.875 2.477 1.00 4.42 N ATOM 0 H ARG A 93 4.982 4.348 -0.298 1.00 0.66 H new ATOM 0 HA ARG A 93 3.893 6.926 -0.617 1.00 0.77 H new ATOM 0 HB2 ARG A 93 4.215 5.699 1.537 1.00 0.99 H new ATOM 0 HB3 ARG A 93 5.949 5.889 1.373 1.00 0.99 H new ATOM 0 HG2 ARG A 93 5.133 7.565 2.906 1.00 1.55 H new ATOM 0 HG3 ARG A 93 5.671 8.367 1.443 1.00 1.55 H new ATOM 0 HD2 ARG A 93 3.308 8.449 0.634 1.00 1.83 H new ATOM 0 HD3 ARG A 93 2.782 7.677 2.116 1.00 1.83 H new ATOM 0 HE ARG A 93 3.878 9.739 3.277 1.00 2.71 H new ATOM 0 HH11 ARG A 93 2.348 9.780 0.086 1.00 3.55 H new ATOM 0 HH12 ARG A 93 1.904 11.487 0.197 1.00 3.55 H new ATOM 0 HH21 ARG A 93 3.302 11.932 3.403 1.00 4.42 H new ATOM 0 HH22 ARG A 93 2.441 12.699 2.064 1.00 4.42 H new ATOM 1647 N GLY A 94 7.125 6.596 -1.147 1.00 0.66 N ATOM 1648 CA GLY A 94 8.300 7.276 -1.655 1.00 0.65 C ATOM 1649 C GLY A 94 8.142 7.700 -3.102 1.00 0.56 C ATOM 1650 O GLY A 94 8.663 8.737 -3.512 1.00 0.56 O ATOM 0 H GLY A 94 7.262 5.607 -0.937 1.00 0.66 H new ATOM 0 HA2 GLY A 94 8.502 8.154 -1.042 1.00 0.65 H new ATOM 0 HA3 GLY A 94 9.165 6.619 -1.564 1.00 0.65 H new ATOM 1654 N ILE A 95 7.399 6.912 -3.869 1.00 0.52 N ATOM 1655 CA ILE A 95 7.178 7.202 -5.279 1.00 0.48 C ATOM 1656 C ILE A 95 6.471 8.543 -5.455 1.00 0.47 C ATOM 1657 O ILE A 95 6.847 9.351 -6.303 1.00 0.49 O ATOM 1658 CB ILE A 95 6.358 6.081 -5.956 1.00 0.50 C ATOM 1659 CG1 ILE A 95 7.165 4.780 -5.988 1.00 0.53 C ATOM 1660 CG2 ILE A 95 5.935 6.486 -7.363 1.00 0.52 C ATOM 1661 CD1 ILE A 95 8.484 4.900 -6.726 1.00 0.55 C ATOM 0 H ILE A 95 6.938 6.065 -3.537 1.00 0.52 H new ATOM 0 HA ILE A 95 8.155 7.255 -5.760 1.00 0.48 H new ATOM 0 HB ILE A 95 5.454 5.917 -5.370 1.00 0.50 H new ATOM 0 HG12 ILE A 95 7.359 4.458 -4.965 1.00 0.53 H new ATOM 0 HG13 ILE A 95 6.565 4.002 -6.459 1.00 0.53 H new ATOM 0 HG21 ILE A 95 5.359 5.679 -7.816 1.00 0.52 H new ATOM 0 HG22 ILE A 95 5.322 7.386 -7.314 1.00 0.52 H new ATOM 0 HG23 ILE A 95 6.821 6.683 -7.967 1.00 0.52 H new ATOM 0 HD11 ILE A 95 9.000 3.940 -6.707 1.00 0.55 H new ATOM 0 HD12 ILE A 95 8.297 5.192 -7.760 1.00 0.55 H new ATOM 0 HD13 ILE A 95 9.104 5.655 -6.242 1.00 0.55 H new ATOM 1668 N LYS A 96 5.465 8.792 -4.632 1.00 0.50 N ATOM 1669 CA LYS A 96 4.738 10.052 -4.696 1.00 0.54 C ATOM 1670 C LYS A 96 5.210 10.995 -3.604 1.00 0.57 C ATOM 1671 O LYS A 96 4.564 11.994 -3.310 1.00 0.83 O ATOM 1672 CB LYS A 96 3.219 9.848 -4.625 1.00 0.64 C ATOM 1673 CG LYS A 96 2.646 9.060 -5.797 1.00 1.47 C ATOM 1674 CD LYS A 96 2.755 7.556 -5.591 1.00 1.78 C ATOM 1675 CE LYS A 96 1.726 7.057 -4.591 1.00 1.90 C ATOM 1676 NZ LYS A 96 1.847 5.594 -4.359 1.00 2.70 N ATOM 0 H LYS A 96 5.134 8.145 -3.917 1.00 0.50 H new ATOM 0 HA LYS A 96 4.953 10.503 -5.665 1.00 0.54 H new ATOM 0 HB2 LYS A 96 2.975 9.330 -3.698 1.00 0.64 H new ATOM 0 HB3 LYS A 96 2.733 10.823 -4.583 1.00 0.64 H new ATOM 0 HG2 LYS A 96 1.599 9.330 -5.936 1.00 1.47 H new ATOM 0 HG3 LYS A 96 3.172 9.338 -6.710 1.00 1.47 H new ATOM 0 HD2 LYS A 96 2.615 7.046 -6.544 1.00 1.78 H new ATOM 0 HD3 LYS A 96 3.756 7.307 -5.240 1.00 1.78 H new ATOM 0 HE2 LYS A 96 1.850 7.586 -3.646 1.00 1.90 H new ATOM 0 HE3 LYS A 96 0.724 7.286 -4.955 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 0.977 5.240 -3.913 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 1.992 5.109 -5.268 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 2.657 5.407 -3.734 1.00 2.70 H new ATOM 1690 N ALA A 97 6.356 10.678 -3.031 1.00 0.50 N ATOM 1691 CA ALA A 97 7.062 11.592 -2.148 1.00 0.53 C ATOM 1692 C ALA A 97 8.071 12.383 -2.953 1.00 0.46 C ATOM 1693 O ALA A 97 8.349 13.545 -2.658 1.00 0.48 O ATOM 1694 CB ALA A 97 7.750 10.836 -1.029 1.00 0.63 C ATOM 0 H ALA A 97 6.824 9.782 -3.163 1.00 0.50 H new ATOM 0 HA ALA A 97 6.344 12.276 -1.695 1.00 0.53 H new ATOM 0 HB1 ALA A 97 8.272 11.540 -0.381 1.00 0.63 H new ATOM 0 HB2 ALA A 97 7.007 10.290 -0.448 1.00 0.63 H new ATOM 0 HB3 ALA A 97 8.467 10.133 -1.452 1.00 0.63 H new ATOM 1700 N ARG A 98 8.591 11.761 -3.994 1.00 0.41 N ATOM 1701 CA ARG A 98 9.464 12.456 -4.921 1.00 0.44 C ATOM 1702 C ARG A 98 8.636 13.152 -5.991 1.00 0.44 C ATOM 1703 O ARG A 98 9.166 13.847 -6.849 1.00 0.53 O ATOM 1704 CB ARG A 98 10.505 11.514 -5.525 1.00 0.51 C ATOM 1705 CG ARG A 98 9.919 10.221 -6.058 1.00 1.02 C ATOM 1706 CD ARG A 98 10.987 9.344 -6.677 1.00 0.81 C ATOM 1707 NE ARG A 98 11.601 9.973 -7.843 1.00 1.51 N ATOM 1708 CZ ARG A 98 12.465 9.361 -8.648 1.00 1.94 C ATOM 1709 NH1 ARG A 98 12.844 8.113 -8.398 1.00 1.37 N ATOM 1710 NH2 ARG A 98 12.950 10.003 -9.702 1.00 3.10 N ATOM 0 H ARG A 98 8.425 10.780 -4.219 1.00 0.41 H new ATOM 0 HA ARG A 98 10.019 13.217 -4.373 1.00 0.44 H new ATOM 0 HB2 ARG A 98 11.022 12.029 -6.334 1.00 0.51 H new ATOM 0 HB3 ARG A 98 11.253 11.279 -4.767 1.00 0.51 H new ATOM 0 HG2 ARG A 98 9.427 9.682 -5.248 1.00 1.02 H new ATOM 0 HG3 ARG A 98 9.154 10.446 -6.802 1.00 1.02 H new ATOM 0 HD2 ARG A 98 11.755 9.129 -5.934 1.00 0.81 H new ATOM 0 HD3 ARG A 98 10.549 8.389 -6.968 1.00 0.81 H new ATOM 0 HE ARG A 98 11.352 10.940 -8.053 1.00 1.51 H new ATOM 0 HH11 ARG A 98 12.472 7.620 -7.586 1.00 1.37 H new ATOM 0 HH12 ARG A 98 13.507 7.647 -9.018 1.00 1.37 H new ATOM 0 HH21 ARG A 98 12.660 10.962 -9.893 1.00 3.10 H new ATOM 0 HH22 ARG A 98 13.613 9.538 -10.322 1.00 3.10 H new ATOM 1724 N TYR A 99 7.323 12.987 -5.917 1.00 0.44 N ATOM 1725 CA TYR A 99 6.423 13.851 -6.659 1.00 0.50 C ATOM 1726 C TYR A 99 6.238 15.154 -5.890 1.00 0.54 C ATOM 1727 O TYR A 99 5.979 16.202 -6.478 1.00 0.64 O ATOM 1728 CB TYR A 99 5.069 13.177 -6.907 1.00 0.53 C ATOM 1729 CG TYR A 99 4.970 12.491 -8.254 1.00 0.59 C ATOM 1730 CD1 TYR A 99 5.000 13.214 -9.441 1.00 0.73 C ATOM 1731 CD2 TYR A 99 4.846 11.108 -8.335 1.00 0.60 C ATOM 1732 CE1 TYR A 99 4.912 12.581 -10.666 1.00 0.85 C ATOM 1733 CE2 TYR A 99 4.758 10.469 -9.555 1.00 0.71 C ATOM 1734 CZ TYR A 99 4.780 11.248 -10.735 1.00 0.83 C ATOM 1735 OH TYR A 99 4.703 10.576 -11.932 1.00 0.97 O ATOM 0 H TYR A 99 6.863 12.270 -5.356 1.00 0.44 H new ATOM 0 HA TYR A 99 6.863 14.057 -7.635 1.00 0.50 H new ATOM 0 HB2 TYR A 99 4.888 12.444 -6.121 1.00 0.53 H new ATOM 0 HB3 TYR A 99 4.281 13.926 -6.831 1.00 0.53 H new ATOM 0 HD1 TYR A 99 5.094 14.289 -9.405 1.00 0.73 H new ATOM 0 HD2 TYR A 99 4.818 10.524 -7.427 1.00 0.60 H new ATOM 0 HE1 TYR A 99 4.950 13.164 -11.575 1.00 0.85 H new ATOM 0 HE2 TYR A 99 4.674 9.394 -9.608 1.00 0.71 H new ATOM 0 HH TYR A 99 3.993 10.968 -12.482 1.00 0.97 H new ATOM 1745 N TYR A 100 6.404 15.078 -4.569 1.00 0.51 N ATOM 1746 CA TYR A 100 6.311 16.257 -3.714 1.00 0.58 C ATOM 1747 C TYR A 100 7.563 17.113 -3.854 1.00 0.58 C ATOM 1748 O TYR A 100 7.492 18.325 -4.049 1.00 0.71 O ATOM 1749 CB TYR A 100 6.170 15.871 -2.239 1.00 0.57 C ATOM 1750 CG TYR A 100 4.930 15.083 -1.895 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.698 15.393 -2.449 1.00 1.03 C ATOM 1752 CD2 TYR A 100 4.998 14.032 -0.998 1.00 0.97 C ATOM 1753 CE1 TYR A 100 2.570 14.670 -2.118 1.00 1.26 C ATOM 1754 CE2 TYR A 100 3.879 13.305 -0.660 1.00 1.16 C ATOM 1755 CZ TYR A 100 2.667 13.625 -1.220 1.00 1.21 C ATOM 1756 OH TYR A 100 1.551 12.897 -0.876 1.00 1.48 O ATOM 0 H TYR A 100 6.604 14.211 -4.070 1.00 0.51 H new ATOM 0 HA TYR A 100 5.428 16.811 -4.032 1.00 0.58 H new ATOM 0 HB2 TYR A 100 7.044 15.288 -1.948 1.00 0.57 H new ATOM 0 HB3 TYR A 100 6.180 16.781 -1.640 1.00 0.57 H new ATOM 0 HD1 TYR A 100 3.620 16.211 -3.149 1.00 1.03 H new ATOM 0 HD2 TYR A 100 5.949 13.777 -0.554 1.00 0.97 H new ATOM 0 HE1 TYR A 100 1.616 14.920 -2.559 1.00 1.26 H new ATOM 0 HE2 TYR A 100 3.954 12.487 0.042 1.00 1.16 H new ATOM 0 HH TYR A 100 1.451 12.141 -1.491 1.00 1.48 H new ATOM 1766 N THR A 101 8.709 16.451 -3.750 1.00 0.55 N ATOM 1767 CA THR A 101 10.006 17.111 -3.717 1.00 0.66 C ATOM 1768 C THR A 101 10.365 17.783 -5.041 1.00 0.71 C ATOM 1769 O THR A 101 11.272 18.616 -5.101 1.00 0.71 O ATOM 1770 CB THR A 101 11.100 16.091 -3.359 1.00 0.71 C ATOM 1771 OG1 THR A 101 10.998 14.937 -4.201 1.00 0.65 O ATOM 1772 CG2 THR A 101 10.978 15.677 -1.898 1.00 0.87 C ATOM 0 H THR A 101 8.764 15.434 -3.686 1.00 0.55 H new ATOM 0 HA THR A 101 9.942 17.892 -2.959 1.00 0.66 H new ATOM 0 HB THR A 101 12.072 16.558 -3.515 1.00 0.71 H new ATOM 0 HG1 THR A 101 11.788 14.371 -4.077 1.00 0.65 H new ATOM 0 HG21 THR A 101 11.758 14.955 -1.658 1.00 0.87 H new ATOM 0 HG22 THR A 101 11.087 16.555 -1.261 1.00 0.87 H new ATOM 0 HG23 THR A 101 10.001 15.225 -1.728 1.00 0.87 H new ATOM 1780 N GLY A 102 9.647 17.419 -6.097 1.00 0.82 N ATOM 1781 CA GLY A 102 9.949 17.937 -7.412 1.00 0.95 C ATOM 1782 C GLY A 102 10.955 17.084 -8.150 1.00 0.95 C ATOM 1783 O GLY A 102 11.759 17.594 -8.930 1.00 1.16 O ATOM 0 H GLY A 102 8.859 16.772 -6.062 1.00 0.82 H new ATOM 0 HA2 GLY A 102 9.030 17.997 -7.996 1.00 0.95 H new ATOM 0 HA3 GLY A 102 10.335 18.952 -7.320 1.00 0.95 H new ATOM 1787 N ASN A 103 10.911 15.784 -7.901 1.00 0.82 N ATOM 1788 CA ASN A 103 11.809 14.839 -8.546 1.00 0.89 C ATOM 1789 C ASN A 103 11.002 13.712 -9.176 1.00 0.98 C ATOM 1790 O ASN A 103 11.135 12.548 -8.788 1.00 1.83 O ATOM 1791 CB ASN A 103 12.806 14.264 -7.536 1.00 0.90 C ATOM 1792 CG ASN A 103 13.761 15.303 -6.980 1.00 1.28 C ATOM 1793 OD1 ASN A 103 14.117 16.269 -7.655 1.00 1.76 O ATOM 1794 ND2 ASN A 103 14.187 15.109 -5.744 1.00 1.65 N ATOM 0 H ASN A 103 10.254 15.356 -7.249 1.00 0.82 H new ATOM 0 HA ASN A 103 12.367 15.363 -9.322 1.00 0.89 H new ATOM 0 HB2 ASN A 103 12.257 13.808 -6.713 1.00 0.90 H new ATOM 0 HB3 ASN A 103 13.381 13.471 -8.014 1.00 0.90 H new ATOM 0 HD21 ASN A 103 14.834 15.772 -5.317 1.00 1.65 H new ATOM 0 HD22 ASN A 103 13.869 14.296 -5.217 1.00 1.65 H new ATOM 1801 N GLU A 104 10.151 14.088 -10.130 1.00 0.56 N ATOM 1802 CA GLU A 104 9.222 13.164 -10.788 1.00 0.56 C ATOM 1803 C GLU A 104 9.903 11.857 -11.189 1.00 0.49 C ATOM 1804 O GLU A 104 10.868 11.858 -11.954 1.00 0.55 O ATOM 1805 CB GLU A 104 8.606 13.804 -12.043 1.00 0.67 C ATOM 1806 CG GLU A 104 7.844 15.100 -11.796 1.00 0.80 C ATOM 1807 CD GLU A 104 8.752 16.270 -11.476 1.00 1.15 C ATOM 1808 OE1 GLU A 104 9.484 16.730 -12.378 1.00 1.17 O ATOM 1809 OE2 GLU A 104 8.742 16.733 -10.323 1.00 1.75 O ATOM 0 H GLU A 104 10.085 15.047 -10.471 1.00 0.56 H new ATOM 0 HA GLU A 104 8.439 12.944 -10.062 1.00 0.56 H new ATOM 0 HB2 GLU A 104 9.402 13.999 -12.761 1.00 0.67 H new ATOM 0 HB3 GLU A 104 7.930 13.085 -12.505 1.00 0.67 H new ATOM 0 HG2 GLU A 104 7.250 15.339 -12.678 1.00 0.80 H new ATOM 0 HG3 GLU A 104 7.146 14.953 -10.972 1.00 0.80 H new ATOM 1816 N PRO A 105 9.421 10.725 -10.652 1.00 0.44 N ATOM 1817 CA PRO A 105 9.921 9.399 -11.026 1.00 0.44 C ATOM 1818 C PRO A 105 9.561 9.048 -12.466 1.00 0.42 C ATOM 1819 O PRO A 105 8.571 9.550 -13.001 1.00 0.47 O ATOM 1820 CB PRO A 105 9.191 8.456 -10.061 1.00 0.48 C ATOM 1821 CG PRO A 105 7.980 9.204 -9.629 1.00 0.53 C ATOM 1822 CD PRO A 105 8.376 10.653 -9.616 1.00 0.49 C ATOM 0 HA PRO A 105 11.007 9.337 -10.964 1.00 0.44 H new ATOM 0 HB2 PRO A 105 8.922 7.521 -10.552 1.00 0.48 H new ATOM 0 HB3 PRO A 105 9.821 8.199 -9.209 1.00 0.48 H new ATOM 0 HG2 PRO A 105 7.149 9.032 -10.314 1.00 0.53 H new ATOM 0 HG3 PRO A 105 7.652 8.880 -8.642 1.00 0.53 H new ATOM 0 HD2 PRO A 105 7.533 11.303 -9.849 1.00 0.49 H new ATOM 0 HD3 PRO A 105 8.754 10.958 -8.640 1.00 0.49 H new ATOM 1830 N THR A 106 10.350 8.196 -13.093 1.00 0.42 N ATOM 1831 CA THR A 106 10.001 7.700 -14.408 1.00 0.42 C ATOM 1832 C THR A 106 9.244 6.384 -14.246 1.00 0.39 C ATOM 1833 O THR A 106 9.109 5.892 -13.122 1.00 0.41 O ATOM 1834 CB THR A 106 11.237 7.510 -15.315 1.00 0.50 C ATOM 1835 OG1 THR A 106 10.826 7.314 -16.676 1.00 1.48 O ATOM 1836 CG2 THR A 106 12.061 6.317 -14.872 1.00 1.05 C ATOM 0 H THR A 106 11.227 7.837 -12.717 1.00 0.42 H new ATOM 0 HA THR A 106 9.372 8.441 -14.901 1.00 0.42 H new ATOM 0 HB THR A 106 11.847 8.410 -15.237 1.00 0.50 H new ATOM 0 HG1 THR A 106 11.617 7.196 -17.243 1.00 1.48 H new ATOM 0 HG21 THR A 106 12.924 6.207 -15.528 1.00 1.05 H new ATOM 0 HG22 THR A 106 12.401 6.470 -13.848 1.00 1.05 H new ATOM 0 HG23 THR A 106 11.451 5.415 -14.921 1.00 1.05 H new ATOM 1844 N LYS A 107 8.758 5.808 -15.333 1.00 0.39 N ATOM 1845 CA LYS A 107 7.938 4.607 -15.230 1.00 0.39 C ATOM 1846 C LYS A 107 8.749 3.466 -14.625 1.00 0.36 C ATOM 1847 O LYS A 107 8.227 2.646 -13.871 1.00 0.38 O ATOM 1848 CB LYS A 107 7.398 4.206 -16.599 1.00 0.43 C ATOM 1849 CG LYS A 107 6.906 5.385 -17.418 1.00 1.33 C ATOM 1850 CD LYS A 107 6.238 4.938 -18.710 1.00 1.66 C ATOM 1851 CE LYS A 107 7.152 4.052 -19.541 1.00 2.22 C ATOM 1852 NZ LYS A 107 6.493 3.598 -20.791 1.00 2.88 N ATOM 0 H LYS A 107 8.912 6.144 -16.284 1.00 0.39 H new ATOM 0 HA LYS A 107 7.092 4.821 -14.577 1.00 0.39 H new ATOM 0 HB2 LYS A 107 8.181 3.689 -17.154 1.00 0.43 H new ATOM 0 HB3 LYS A 107 6.580 3.498 -16.466 1.00 0.43 H new ATOM 0 HG2 LYS A 107 6.200 5.968 -16.827 1.00 1.33 H new ATOM 0 HG3 LYS A 107 7.745 6.041 -17.651 1.00 1.33 H new ATOM 0 HD2 LYS A 107 5.321 4.397 -18.477 1.00 1.66 H new ATOM 0 HD3 LYS A 107 5.952 5.813 -19.293 1.00 1.66 H new ATOM 0 HE2 LYS A 107 8.062 4.599 -19.788 1.00 2.22 H new ATOM 0 HE3 LYS A 107 7.451 3.185 -18.952 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 7.148 2.996 -21.330 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 5.638 3.055 -20.555 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 6.230 4.425 -21.365 1.00 2.88 H new ATOM 1866 N ASP A 108 10.041 3.454 -14.939 1.00 0.36 N ATOM 1867 CA ASP A 108 10.963 2.437 -14.438 1.00 0.38 C ATOM 1868 C ASP A 108 11.003 2.432 -12.915 1.00 0.36 C ATOM 1869 O ASP A 108 11.069 1.368 -12.298 1.00 0.38 O ATOM 1870 CB ASP A 108 12.372 2.675 -14.982 1.00 0.47 C ATOM 1871 CG ASP A 108 12.482 2.404 -16.465 1.00 1.29 C ATOM 1872 OD1 ASP A 108 12.036 3.251 -17.267 1.00 2.24 O ATOM 1873 OD2 ASP A 108 13.027 1.347 -16.839 1.00 1.26 O ATOM 0 H ASP A 108 10.479 4.147 -15.546 1.00 0.36 H new ATOM 0 HA ASP A 108 10.601 1.468 -14.782 1.00 0.38 H new ATOM 0 HB2 ASP A 108 12.664 3.706 -14.783 1.00 0.47 H new ATOM 0 HB3 ASP A 108 13.075 2.036 -14.448 1.00 0.47 H new ATOM 1878 N ASP A 109 10.953 3.617 -12.315 1.00 0.36 N ATOM 1879 CA ASP A 109 10.960 3.739 -10.861 1.00 0.37 C ATOM 1880 C ASP A 109 9.746 3.041 -10.275 1.00 0.34 C ATOM 1881 O ASP A 109 9.854 2.307 -9.292 1.00 0.36 O ATOM 1882 CB ASP A 109 10.966 5.209 -10.429 1.00 0.39 C ATOM 1883 CG ASP A 109 12.233 5.936 -10.830 1.00 0.88 C ATOM 1884 OD1 ASP A 109 13.302 5.650 -10.250 1.00 0.94 O ATOM 1885 OD2 ASP A 109 12.169 6.804 -11.719 1.00 1.73 O ATOM 0 H ASP A 109 10.907 4.506 -12.813 1.00 0.36 H new ATOM 0 HA ASP A 109 11.869 3.267 -10.488 1.00 0.37 H new ATOM 0 HB2 ASP A 109 10.107 5.716 -10.870 1.00 0.39 H new ATOM 0 HB3 ASP A 109 10.848 5.265 -9.347 1.00 0.39 H new ATOM 1890 N LEU A 110 8.595 3.264 -10.899 1.00 0.30 N ATOM 1891 CA LEU A 110 7.356 2.631 -10.469 1.00 0.30 C ATOM 1892 C LEU A 110 7.404 1.128 -10.715 1.00 0.29 C ATOM 1893 O LEU A 110 6.999 0.344 -9.860 1.00 0.33 O ATOM 1894 CB LEU A 110 6.140 3.240 -11.179 1.00 0.30 C ATOM 1895 CG LEU A 110 5.648 4.585 -10.632 1.00 0.38 C ATOM 1896 CD1 LEU A 110 6.690 5.673 -10.823 1.00 0.82 C ATOM 1897 CD2 LEU A 110 4.343 4.981 -11.301 1.00 0.82 C ATOM 0 H LEU A 110 8.495 3.880 -11.706 1.00 0.30 H new ATOM 0 HA LEU A 110 7.252 2.811 -9.399 1.00 0.30 H new ATOM 0 HB2 LEU A 110 6.385 3.367 -12.233 1.00 0.30 H new ATOM 0 HB3 LEU A 110 5.318 2.526 -11.127 1.00 0.30 H new ATOM 0 HG LEU A 110 5.476 4.469 -9.562 1.00 0.38 H new ATOM 0 HD11 LEU A 110 6.311 6.614 -10.425 1.00 0.82 H new ATOM 0 HD12 LEU A 110 7.604 5.398 -10.296 1.00 0.82 H new ATOM 0 HD13 LEU A 110 6.905 5.789 -11.885 1.00 0.82 H new ATOM 0 HD21 LEU A 110 4.006 5.938 -10.903 1.00 0.82 H new ATOM 0 HD22 LEU A 110 4.498 5.070 -12.376 1.00 0.82 H new ATOM 0 HD23 LEU A 110 3.588 4.220 -11.105 1.00 0.82 H new ATOM 1909 N LYS A 111 7.917 0.732 -11.875 1.00 0.28 N ATOM 1910 CA LYS A 111 8.042 -0.683 -12.215 1.00 0.31 C ATOM 1911 C LYS A 111 8.839 -1.416 -11.144 1.00 0.33 C ATOM 1912 O LYS A 111 8.435 -2.472 -10.658 1.00 0.35 O ATOM 1913 CB LYS A 111 8.727 -0.856 -13.570 1.00 0.37 C ATOM 1914 CG LYS A 111 7.915 -0.318 -14.738 1.00 0.93 C ATOM 1915 CD LYS A 111 8.631 -0.518 -16.071 1.00 0.92 C ATOM 1916 CE LYS A 111 8.342 -1.883 -16.685 1.00 1.02 C ATOM 1917 NZ LYS A 111 8.741 -3.010 -15.799 1.00 1.74 N ATOM 0 H LYS A 111 8.253 1.370 -12.596 1.00 0.28 H new ATOM 0 HA LYS A 111 7.039 -1.107 -12.271 1.00 0.31 H new ATOM 0 HB2 LYS A 111 9.692 -0.350 -13.546 1.00 0.37 H new ATOM 0 HB3 LYS A 111 8.926 -1.915 -13.734 1.00 0.37 H new ATOM 0 HG2 LYS A 111 6.947 -0.818 -14.768 1.00 0.93 H new ATOM 0 HG3 LYS A 111 7.721 0.744 -14.586 1.00 0.93 H new ATOM 0 HD2 LYS A 111 8.324 0.263 -16.767 1.00 0.92 H new ATOM 0 HD3 LYS A 111 9.705 -0.409 -15.924 1.00 0.92 H new ATOM 0 HE2 LYS A 111 7.277 -1.959 -16.905 1.00 1.02 H new ATOM 0 HE3 LYS A 111 8.871 -1.969 -17.634 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 8.796 -3.887 -16.356 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 9.670 -2.808 -15.378 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 8.036 -3.124 -15.043 1.00 1.74 H new ATOM 1931 N ALA A 112 9.972 -0.833 -10.783 1.00 0.36 N ATOM 1932 CA ALA A 112 10.828 -1.385 -9.747 1.00 0.42 C ATOM 1933 C ALA A 112 10.140 -1.362 -8.385 1.00 0.43 C ATOM 1934 O ALA A 112 10.225 -2.329 -7.626 1.00 0.47 O ATOM 1935 CB ALA A 112 12.138 -0.614 -9.690 1.00 0.46 C ATOM 0 H ALA A 112 10.321 0.031 -11.198 1.00 0.36 H new ATOM 0 HA ALA A 112 11.034 -2.426 -9.997 1.00 0.42 H new ATOM 0 HB1 ALA A 112 12.774 -1.034 -8.911 1.00 0.46 H new ATOM 0 HB2 ALA A 112 12.646 -0.688 -10.652 1.00 0.46 H new ATOM 0 HB3 ALA A 112 11.934 0.433 -9.467 1.00 0.46 H new ATOM 1941 N SER A 113 9.461 -0.262 -8.071 1.00 0.41 N ATOM 1942 CA SER A 113 8.815 -0.120 -6.773 1.00 0.45 C ATOM 1943 C SER A 113 7.690 -1.134 -6.575 1.00 0.40 C ATOM 1944 O SER A 113 7.533 -1.678 -5.483 1.00 0.44 O ATOM 1945 CB SER A 113 8.294 1.305 -6.575 1.00 0.54 C ATOM 1946 OG SER A 113 7.348 1.666 -7.568 1.00 1.34 O ATOM 0 H SER A 113 9.345 0.538 -8.694 1.00 0.41 H new ATOM 0 HA SER A 113 9.573 -0.323 -6.017 1.00 0.45 H new ATOM 0 HB2 SER A 113 7.836 1.390 -5.590 1.00 0.54 H new ATOM 0 HB3 SER A 113 9.130 2.004 -6.599 1.00 0.54 H new ATOM 0 HG SER A 113 7.231 0.921 -8.194 1.00 1.34 H new ATOM 1952 N VAL A 114 6.919 -1.421 -7.625 1.00 0.36 N ATOM 1953 CA VAL A 114 5.819 -2.362 -7.499 1.00 0.36 C ATOM 1954 C VAL A 114 6.368 -3.785 -7.502 1.00 0.35 C ATOM 1955 O VAL A 114 5.755 -4.717 -6.989 1.00 0.37 O ATOM 1956 CB VAL A 114 4.786 -2.202 -8.643 1.00 0.36 C ATOM 1957 CG1 VAL A 114 4.308 -0.763 -8.752 1.00 0.65 C ATOM 1958 CG2 VAL A 114 5.349 -2.671 -9.971 1.00 0.56 C ATOM 0 H VAL A 114 7.037 -1.020 -8.555 1.00 0.36 H new ATOM 0 HA VAL A 114 5.307 -2.155 -6.559 1.00 0.36 H new ATOM 0 HB VAL A 114 3.932 -2.833 -8.396 1.00 0.36 H new ATOM 0 HG11 VAL A 114 3.584 -0.680 -9.563 1.00 0.65 H new ATOM 0 HG12 VAL A 114 3.839 -0.463 -7.815 1.00 0.65 H new ATOM 0 HG13 VAL A 114 5.158 -0.112 -8.957 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.597 -2.544 -10.750 1.00 0.56 H new ATOM 0 HG22 VAL A 114 6.232 -2.083 -10.220 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.623 -3.724 -9.899 1.00 0.56 H new ATOM 1962 N LYS A 115 7.548 -3.923 -8.085 1.00 0.35 N ATOM 1963 CA LYS A 115 8.232 -5.196 -8.177 1.00 0.37 C ATOM 1964 C LYS A 115 8.595 -5.720 -6.797 1.00 0.35 C ATOM 1965 O LYS A 115 8.446 -6.909 -6.521 1.00 0.37 O ATOM 1966 CB LYS A 115 9.493 -5.029 -9.020 1.00 0.48 C ATOM 1967 CG LYS A 115 10.056 -6.330 -9.545 1.00 0.84 C ATOM 1968 CD LYS A 115 11.312 -6.096 -10.360 1.00 0.81 C ATOM 1969 CE LYS A 115 11.759 -7.363 -11.071 1.00 1.16 C ATOM 1970 NZ LYS A 115 12.001 -8.479 -10.121 1.00 1.72 N ATOM 0 H LYS A 115 8.058 -3.148 -8.509 1.00 0.35 H new ATOM 0 HA LYS A 115 7.566 -5.919 -8.648 1.00 0.37 H new ATOM 0 HB2 LYS A 115 9.271 -4.374 -9.863 1.00 0.48 H new ATOM 0 HB3 LYS A 115 10.255 -4.530 -8.421 1.00 0.48 H new ATOM 0 HG2 LYS A 115 10.280 -6.995 -8.711 1.00 0.84 H new ATOM 0 HG3 LYS A 115 9.308 -6.831 -10.160 1.00 0.84 H new ATOM 0 HD2 LYS A 115 11.130 -5.311 -11.094 1.00 0.81 H new ATOM 0 HD3 LYS A 115 12.110 -5.743 -9.707 1.00 0.81 H new ATOM 0 HE2 LYS A 115 10.999 -7.660 -11.794 1.00 1.16 H new ATOM 0 HE3 LYS A 115 12.671 -7.161 -11.633 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 12.400 -9.291 -10.634 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 12.669 -8.171 -9.386 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 11.103 -8.758 -9.677 1.00 1.72 H new ATOM 1984 N GLU A 116 9.052 -4.832 -5.925 1.00 0.36 N ATOM 1985 CA GLU A 116 9.466 -5.247 -4.595 1.00 0.38 C ATOM 1986 C GLU A 116 8.251 -5.609 -3.742 1.00 0.37 C ATOM 1987 O GLU A 116 8.320 -6.522 -2.926 1.00 0.38 O ATOM 1988 CB GLU A 116 10.300 -4.164 -3.907 1.00 0.43 C ATOM 1989 CG GLU A 116 11.502 -3.702 -4.713 1.00 0.80 C ATOM 1990 CD GLU A 116 12.541 -4.784 -4.897 1.00 1.30 C ATOM 1991 OE1 GLU A 116 13.326 -5.029 -3.959 1.00 1.32 O ATOM 1992 OE2 GLU A 116 12.575 -5.405 -5.979 1.00 2.27 O ATOM 0 H GLU A 116 9.144 -3.834 -6.112 1.00 0.36 H new ATOM 0 HA GLU A 116 10.092 -6.132 -4.704 1.00 0.38 H new ATOM 0 HB2 GLU A 116 9.662 -3.305 -3.701 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.645 -4.542 -2.945 1.00 0.43 H new ATOM 0 HG2 GLU A 116 11.166 -3.358 -5.691 1.00 0.80 H new ATOM 0 HG3 GLU A 116 11.960 -2.847 -4.215 1.00 0.80 H new ATOM 1999 N VAL A 117 7.135 -4.926 -3.945 1.00 0.36 N ATOM 2000 CA VAL A 117 5.918 -5.259 -3.212 1.00 0.38 C ATOM 2001 C VAL A 117 5.375 -6.625 -3.655 1.00 0.38 C ATOM 2002 O VAL A 117 4.854 -7.379 -2.840 1.00 0.43 O ATOM 2003 CB VAL A 117 4.821 -4.164 -3.329 1.00 0.43 C ATOM 2004 CG1 VAL A 117 5.432 -2.777 -3.228 1.00 0.81 C ATOM 2005 CG2 VAL A 117 4.006 -4.300 -4.600 1.00 0.78 C ATOM 0 H VAL A 117 7.044 -4.149 -4.600 1.00 0.36 H new ATOM 0 HA VAL A 117 6.192 -5.311 -2.158 1.00 0.38 H new ATOM 0 HB VAL A 117 4.136 -4.307 -2.493 1.00 0.43 H new ATOM 0 HG11 VAL A 117 4.646 -2.026 -3.312 1.00 0.81 H new ATOM 0 HG12 VAL A 117 5.934 -2.670 -2.267 1.00 0.81 H new ATOM 0 HG13 VAL A 117 6.154 -2.638 -4.032 1.00 0.81 H new ATOM 0 HG21 VAL A 117 3.253 -3.513 -4.635 1.00 0.78 H new ATOM 0 HG22 VAL A 117 4.664 -4.213 -5.465 1.00 0.78 H new ATOM 0 HG23 VAL A 117 3.515 -5.273 -4.615 1.00 0.78 H new ATOM 2009 N LEU A 118 5.528 -6.966 -4.930 1.00 0.36 N ATOM 2010 CA LEU A 118 5.170 -8.302 -5.401 1.00 0.36 C ATOM 2011 C LEU A 118 6.159 -9.322 -4.867 1.00 0.36 C ATOM 2012 O LEU A 118 5.795 -10.457 -4.573 1.00 0.38 O ATOM 2013 CB LEU A 118 5.171 -8.356 -6.936 1.00 0.41 C ATOM 2014 CG LEU A 118 3.882 -7.943 -7.658 1.00 0.49 C ATOM 2015 CD1 LEU A 118 2.835 -9.039 -7.582 1.00 1.21 C ATOM 2016 CD2 LEU A 118 3.322 -6.655 -7.101 1.00 0.88 C ATOM 0 H LEU A 118 5.894 -6.344 -5.651 1.00 0.36 H new ATOM 0 HA LEU A 118 4.169 -8.533 -5.038 1.00 0.36 H new ATOM 0 HB2 LEU A 118 5.978 -7.717 -7.295 1.00 0.41 H new ATOM 0 HB3 LEU A 118 5.414 -9.375 -7.237 1.00 0.41 H new ATOM 0 HG LEU A 118 4.141 -7.780 -8.704 1.00 0.49 H new ATOM 0 HD11 LEU A 118 1.933 -8.717 -8.102 1.00 1.21 H new ATOM 0 HD12 LEU A 118 3.221 -9.944 -8.051 1.00 1.21 H new ATOM 0 HD13 LEU A 118 2.598 -9.244 -6.538 1.00 1.21 H new ATOM 0 HD21 LEU A 118 2.409 -6.393 -7.636 1.00 0.88 H new ATOM 0 HD22 LEU A 118 3.097 -6.784 -6.042 1.00 0.88 H new ATOM 0 HD23 LEU A 118 4.055 -5.857 -7.222 1.00 0.88 H new ATOM 2028 N LYS A 119 7.406 -8.894 -4.724 1.00 0.36 N ATOM 2029 CA LYS A 119 8.464 -9.749 -4.241 1.00 0.37 C ATOM 2030 C LYS A 119 8.119 -10.226 -2.841 1.00 0.36 C ATOM 2031 O LYS A 119 8.239 -11.408 -2.515 1.00 0.38 O ATOM 2032 CB LYS A 119 9.772 -8.963 -4.236 1.00 0.39 C ATOM 2033 CG LYS A 119 10.941 -9.732 -3.667 1.00 0.43 C ATOM 2034 CD LYS A 119 12.172 -8.853 -3.507 1.00 0.67 C ATOM 2035 CE LYS A 119 11.968 -7.784 -2.443 1.00 0.57 C ATOM 2036 NZ LYS A 119 13.196 -6.981 -2.218 1.00 0.95 N ATOM 0 H LYS A 119 7.705 -7.943 -4.941 1.00 0.36 H new ATOM 0 HA LYS A 119 8.577 -10.619 -4.888 1.00 0.37 H new ATOM 0 HB2 LYS A 119 10.009 -8.662 -5.257 1.00 0.39 H new ATOM 0 HB3 LYS A 119 9.634 -8.049 -3.658 1.00 0.39 H new ATOM 0 HG2 LYS A 119 10.665 -10.150 -2.699 1.00 0.43 H new ATOM 0 HG3 LYS A 119 11.177 -10.572 -4.321 1.00 0.43 H new ATOM 0 HD2 LYS A 119 13.029 -9.472 -3.241 1.00 0.67 H new ATOM 0 HD3 LYS A 119 12.406 -8.378 -4.460 1.00 0.67 H new ATOM 0 HE2 LYS A 119 11.154 -7.125 -2.743 1.00 0.57 H new ATOM 0 HE3 LYS A 119 11.667 -8.256 -1.508 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 13.308 -6.796 -1.201 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 14.023 -7.506 -2.567 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 13.119 -6.078 -2.728 1.00 0.95 H new ATOM 2050 N LEU A 120 7.684 -9.285 -2.023 1.00 0.36 N ATOM 2051 CA LEU A 120 7.217 -9.586 -0.693 1.00 0.37 C ATOM 2052 C LEU A 120 5.895 -10.335 -0.715 1.00 0.36 C ATOM 2053 O LEU A 120 5.739 -11.348 -0.030 1.00 0.38 O ATOM 2054 CB LEU A 120 7.050 -8.300 0.112 1.00 0.39 C ATOM 2055 CG LEU A 120 8.326 -7.779 0.759 1.00 0.42 C ATOM 2056 CD1 LEU A 120 9.325 -7.324 -0.281 1.00 1.06 C ATOM 2057 CD2 LEU A 120 8.011 -6.661 1.737 1.00 0.99 C ATOM 0 H LEU A 120 7.647 -8.295 -2.266 1.00 0.36 H new ATOM 0 HA LEU A 120 7.966 -10.224 -0.225 1.00 0.37 H new ATOM 0 HB2 LEU A 120 6.651 -7.527 -0.544 1.00 0.39 H new ATOM 0 HB3 LEU A 120 6.308 -8.470 0.892 1.00 0.39 H new ATOM 0 HG LEU A 120 8.781 -8.600 1.313 1.00 0.42 H new ATOM 0 HD11 LEU A 120 10.224 -6.958 0.214 1.00 1.06 H new ATOM 0 HD12 LEU A 120 9.583 -8.162 -0.929 1.00 1.06 H new ATOM 0 HD13 LEU A 120 8.889 -6.524 -0.879 1.00 1.06 H new ATOM 0 HD21 LEU A 120 8.936 -6.302 2.189 1.00 0.99 H new ATOM 0 HD22 LEU A 120 7.523 -5.842 1.208 1.00 0.99 H new ATOM 0 HD23 LEU A 120 7.348 -7.036 2.517 1.00 0.99 H new ATOM 2069 N TYR A 121 4.936 -9.844 -1.501 1.00 0.35 N ATOM 2070 CA TYR A 121 3.573 -10.327 -1.367 1.00 0.36 C ATOM 2071 C TYR A 121 3.431 -11.764 -1.862 1.00 0.38 C ATOM 2072 O TYR A 121 2.682 -12.553 -1.283 1.00 0.41 O ATOM 2073 CB TYR A 121 2.571 -9.380 -2.039 1.00 0.37 C ATOM 2074 CG TYR A 121 1.153 -9.903 -2.079 1.00 0.56 C ATOM 2075 CD1 TYR A 121 0.291 -9.710 -1.005 1.00 0.84 C ATOM 2076 CD2 TYR A 121 0.675 -10.585 -3.188 1.00 0.74 C ATOM 2077 CE1 TYR A 121 -1.004 -10.182 -1.041 1.00 1.13 C ATOM 2078 CE2 TYR A 121 -0.621 -11.056 -3.232 1.00 1.05 C ATOM 2079 CZ TYR A 121 -1.447 -10.876 -2.152 1.00 1.23 C ATOM 2080 OH TYR A 121 -2.749 -11.315 -2.197 1.00 1.54 O ATOM 0 H TYR A 121 5.077 -9.131 -2.217 1.00 0.35 H new ATOM 0 HA TYR A 121 3.334 -10.338 -0.304 1.00 0.36 H new ATOM 0 HB2 TYR A 121 2.580 -8.426 -1.511 1.00 0.37 H new ATOM 0 HB3 TYR A 121 2.902 -9.183 -3.059 1.00 0.37 H new ATOM 0 HD1 TYR A 121 0.641 -9.183 -0.130 1.00 0.84 H new ATOM 0 HD2 TYR A 121 1.329 -10.750 -4.032 1.00 0.74 H new ATOM 0 HE1 TYR A 121 -1.668 -10.011 -0.207 1.00 1.13 H new ATOM 0 HE2 TYR A 121 -0.984 -11.564 -4.113 1.00 1.05 H new ATOM 0 HH TYR A 121 -3.318 -10.705 -1.682 1.00 1.54 H new ATOM 2090 N LYS A 122 4.163 -12.111 -2.910 1.00 0.40 N ATOM 2091 CA LYS A 122 4.133 -13.471 -3.434 1.00 0.45 C ATOM 2092 C LYS A 122 4.755 -14.454 -2.446 1.00 0.43 C ATOM 2093 O LYS A 122 4.409 -15.638 -2.428 1.00 0.46 O ATOM 2094 CB LYS A 122 4.870 -13.552 -4.770 1.00 0.52 C ATOM 2095 CG LYS A 122 4.213 -12.736 -5.870 1.00 0.60 C ATOM 2096 CD LYS A 122 4.636 -13.224 -7.240 1.00 1.21 C ATOM 2097 CE LYS A 122 3.940 -12.454 -8.347 1.00 1.27 C ATOM 2098 NZ LYS A 122 4.089 -13.135 -9.657 1.00 1.98 N ATOM 0 H LYS A 122 4.782 -11.475 -3.413 1.00 0.40 H new ATOM 0 HA LYS A 122 3.088 -13.742 -3.586 1.00 0.45 H new ATOM 0 HB2 LYS A 122 5.895 -13.206 -4.633 1.00 0.52 H new ATOM 0 HB3 LYS A 122 4.925 -14.594 -5.084 1.00 0.52 H new ATOM 0 HG2 LYS A 122 3.129 -12.801 -5.777 1.00 0.60 H new ATOM 0 HG3 LYS A 122 4.481 -11.685 -5.757 1.00 0.60 H new ATOM 0 HD2 LYS A 122 5.716 -13.119 -7.347 1.00 1.21 H new ATOM 0 HD3 LYS A 122 4.408 -14.286 -7.335 1.00 1.21 H new ATOM 0 HE2 LYS A 122 2.882 -12.348 -8.109 1.00 1.27 H new ATOM 0 HE3 LYS A 122 4.355 -11.448 -8.409 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 3.602 -12.584 -10.392 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 5.098 -13.214 -9.895 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 3.671 -14.086 -9.604 1.00 1.98 H new ATOM 2112 N ALA A 123 5.672 -13.953 -1.628 1.00 0.42 N ATOM 2113 CA ALA A 123 6.408 -14.787 -0.689 1.00 0.43 C ATOM 2114 C ALA A 123 5.662 -14.978 0.629 1.00 0.43 C ATOM 2115 O ALA A 123 6.088 -15.767 1.474 1.00 0.70 O ATOM 2116 CB ALA A 123 7.778 -14.183 -0.428 1.00 0.49 C ATOM 0 H ALA A 123 5.924 -12.965 -1.597 1.00 0.42 H new ATOM 0 HA ALA A 123 6.516 -15.772 -1.144 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.325 -14.811 0.275 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.332 -14.120 -1.364 1.00 0.49 H new ATOM 0 HB3 ALA A 123 7.661 -13.184 -0.007 1.00 0.49 H new ATOM 2122 N MET A 124 4.558 -14.265 0.817 1.00 0.44 N ATOM 2123 CA MET A 124 3.812 -14.374 2.065 1.00 0.42 C ATOM 2124 C MET A 124 3.014 -15.671 2.114 1.00 0.42 C ATOM 2125 O MET A 124 2.749 -16.282 1.079 1.00 0.42 O ATOM 2126 CB MET A 124 2.869 -13.186 2.252 1.00 0.41 C ATOM 2127 CG MET A 124 3.575 -11.896 2.634 1.00 0.45 C ATOM 2128 SD MET A 124 2.467 -10.710 3.422 1.00 0.50 S ATOM 2129 CE MET A 124 1.173 -10.572 2.195 1.00 0.46 C ATOM 0 H MET A 124 4.165 -13.616 0.135 1.00 0.44 H new ATOM 0 HA MET A 124 4.540 -14.375 2.876 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.314 -13.025 1.327 1.00 0.41 H new ATOM 0 HB3 MET A 124 2.139 -13.432 3.023 1.00 0.41 H new ATOM 0 HG2 MET A 124 4.399 -12.123 3.310 1.00 0.45 H new ATOM 0 HG3 MET A 124 4.009 -11.445 1.742 1.00 0.45 H new ATOM 0 HE1 MET A 124 0.869 -9.529 2.102 1.00 0.46 H new ATOM 0 HE2 MET A 124 1.543 -10.929 1.234 1.00 0.46 H new ATOM 0 HE3 MET A 124 0.317 -11.174 2.500 1.00 0.46 H new ATOM 2139 N SER A 125 2.648 -16.092 3.317 1.00 0.47 N ATOM 2140 CA SER A 125 1.784 -17.250 3.493 1.00 0.54 C ATOM 2141 C SER A 125 0.407 -16.995 2.876 1.00 0.58 C ATOM 2142 O SER A 125 -0.094 -15.871 2.948 1.00 0.92 O ATOM 2143 CB SER A 125 1.645 -17.567 4.982 1.00 0.62 C ATOM 2144 OG SER A 125 2.911 -17.544 5.623 1.00 1.18 O ATOM 0 H SER A 125 2.937 -15.647 4.188 1.00 0.47 H new ATOM 0 HA SER A 125 2.233 -18.103 2.984 1.00 0.54 H new ATOM 0 HB2 SER A 125 0.981 -16.842 5.452 1.00 0.62 H new ATOM 0 HB3 SER A 125 1.186 -18.548 5.108 1.00 0.62 H new ATOM 0 HG SER A 125 2.799 -17.748 6.575 1.00 1.18 H new ATOM 2150 N ASP A 126 -0.198 -18.016 2.282 1.00 0.44 N ATOM 2151 CA ASP A 126 -1.442 -17.842 1.523 1.00 0.43 C ATOM 2152 C ASP A 126 -2.534 -17.204 2.380 1.00 0.39 C ATOM 2153 O ASP A 126 -3.186 -16.246 1.956 1.00 0.38 O ATOM 2154 CB ASP A 126 -1.919 -19.183 0.966 1.00 0.47 C ATOM 2155 CG ASP A 126 -3.154 -19.053 0.094 1.00 1.37 C ATOM 2156 OD1 ASP A 126 -3.009 -18.792 -1.118 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -4.279 -19.187 0.619 1.00 1.81 O ATOM 0 H ASP A 126 0.148 -18.975 2.308 1.00 0.44 H new ATOM 0 HA ASP A 126 -1.233 -17.168 0.692 1.00 0.43 H new ATOM 0 HB2 ASP A 126 -1.116 -19.636 0.385 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -2.134 -19.859 1.794 1.00 0.47 H new ATOM 2162 N ALA A 127 -2.697 -17.709 3.599 1.00 0.38 N ATOM 2163 CA ALA A 127 -3.703 -17.192 4.520 1.00 0.37 C ATOM 2164 C ALA A 127 -3.429 -15.731 4.863 1.00 0.33 C ATOM 2165 O ALA A 127 -4.352 -14.943 5.061 1.00 0.34 O ATOM 2166 CB ALA A 127 -3.746 -18.031 5.786 1.00 0.42 C ATOM 0 H ALA A 127 -2.143 -18.479 3.973 1.00 0.38 H new ATOM 0 HA ALA A 127 -4.674 -17.251 4.028 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -4.502 -17.631 6.462 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -3.995 -19.061 5.531 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -2.772 -18.003 6.274 1.00 0.42 H new ATOM 2172 N GLY A 128 -2.150 -15.383 4.916 1.00 0.31 N ATOM 2173 CA GLY A 128 -1.752 -14.015 5.173 1.00 0.31 C ATOM 2174 C GLY A 128 -2.012 -13.121 3.979 1.00 0.29 C ATOM 2175 O GLY A 128 -2.385 -11.960 4.134 1.00 0.30 O ATOM 0 H GLY A 128 -1.375 -16.032 4.784 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -2.296 -13.634 6.038 1.00 0.31 H new ATOM 0 HA3 GLY A 128 -0.692 -13.986 5.425 1.00 0.31 H new ATOM 2179 N LYS A 129 -1.827 -13.673 2.787 1.00 0.32 N ATOM 2180 CA LYS A 129 -2.108 -12.954 1.551 1.00 0.39 C ATOM 2181 C LYS A 129 -3.603 -12.696 1.425 1.00 0.35 C ATOM 2182 O LYS A 129 -4.035 -11.613 1.029 1.00 0.36 O ATOM 2183 CB LYS A 129 -1.629 -13.755 0.340 1.00 0.56 C ATOM 2184 CG LYS A 129 -0.127 -13.995 0.304 1.00 0.58 C ATOM 2185 CD LYS A 129 0.261 -14.912 -0.847 1.00 0.59 C ATOM 2186 CE LYS A 129 -0.110 -14.306 -2.190 1.00 0.94 C ATOM 2187 NZ LYS A 129 0.028 -15.279 -3.303 1.00 1.32 N ATOM 0 H LYS A 129 -1.481 -14.623 2.650 1.00 0.32 H new ATOM 0 HA LYS A 129 -1.575 -12.004 1.581 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -2.140 -14.718 0.331 1.00 0.56 H new ATOM 0 HB3 LYS A 129 -1.923 -13.229 -0.568 1.00 0.56 H new ATOM 0 HG2 LYS A 129 0.393 -13.042 0.203 1.00 0.58 H new ATOM 0 HG3 LYS A 129 0.195 -14.436 1.247 1.00 0.58 H new ATOM 0 HD2 LYS A 129 1.334 -15.102 -0.816 1.00 0.59 H new ATOM 0 HD3 LYS A 129 -0.237 -15.875 -0.731 1.00 0.59 H new ATOM 0 HE2 LYS A 129 -1.137 -13.944 -2.152 1.00 0.94 H new ATOM 0 HE3 LYS A 129 0.525 -13.442 -2.384 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 -0.638 -15.033 -4.063 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 1.000 -15.250 -3.671 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 -0.182 -16.236 -2.955 1.00 1.32 H new ATOM 2201 N ALA A 130 -4.389 -13.709 1.765 1.00 0.35 N ATOM 2202 CA ALA A 130 -5.837 -13.598 1.752 1.00 0.37 C ATOM 2203 C ALA A 130 -6.314 -12.655 2.848 1.00 0.33 C ATOM 2204 O ALA A 130 -7.337 -11.987 2.702 1.00 0.38 O ATOM 2205 CB ALA A 130 -6.473 -14.971 1.912 1.00 0.42 C ATOM 0 H ALA A 130 -4.042 -14.623 2.055 1.00 0.35 H new ATOM 0 HA ALA A 130 -6.143 -13.184 0.791 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -7.559 -14.873 1.901 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -6.158 -15.616 1.091 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -6.158 -15.410 2.859 1.00 0.42 H new ATOM 2211 N ASP A 131 -5.560 -12.588 3.941 1.00 0.29 N ATOM 2212 CA ASP A 131 -5.910 -11.701 5.043 1.00 0.29 C ATOM 2213 C ASP A 131 -5.559 -10.265 4.680 1.00 0.27 C ATOM 2214 O ASP A 131 -6.244 -9.321 5.075 1.00 0.30 O ATOM 2215 CB ASP A 131 -5.211 -12.142 6.332 1.00 0.30 C ATOM 2216 CG ASP A 131 -5.426 -11.185 7.488 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -6.596 -10.830 7.756 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -4.431 -10.752 8.099 1.00 0.45 O ATOM 0 H ASP A 131 -4.710 -13.133 4.086 1.00 0.29 H new ATOM 0 HA ASP A 131 -6.984 -11.755 5.220 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -5.575 -13.130 6.615 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -4.142 -12.238 6.143 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.501 -10.108 3.893 1.00 0.24 N ATOM 2224 CA PHE A 132 -4.161 -8.818 3.317 1.00 0.22 C ATOM 2225 C PHE A 132 -5.290 -8.346 2.415 1.00 0.23 C ATOM 2226 O PHE A 132 -5.554 -7.152 2.299 1.00 0.25 O ATOM 2227 CB PHE A 132 -2.849 -8.916 2.529 1.00 0.23 C ATOM 2228 CG PHE A 132 -2.463 -7.648 1.825 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -1.971 -6.569 2.539 1.00 0.33 C ATOM 2230 CD2 PHE A 132 -2.591 -7.535 0.449 1.00 0.26 C ATOM 2231 CE1 PHE A 132 -1.614 -5.401 1.899 1.00 0.39 C ATOM 2232 CE2 PHE A 132 -2.235 -6.368 -0.198 1.00 0.30 C ATOM 2233 CZ PHE A 132 -1.751 -5.306 0.512 1.00 0.36 C ATOM 0 H PHE A 132 -3.863 -10.863 3.640 1.00 0.24 H new ATOM 0 HA PHE A 132 -4.024 -8.094 4.120 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -2.048 -9.199 3.212 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -2.938 -9.715 1.793 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -1.865 -6.643 3.611 1.00 0.33 H new ATOM 0 HD2 PHE A 132 -2.973 -8.368 -0.123 1.00 0.26 H new ATOM 0 HE1 PHE A 132 -1.231 -4.565 2.466 1.00 0.39 H new ATOM 0 HE2 PHE A 132 -2.340 -6.295 -1.270 1.00 0.30 H new ATOM 0 HZ PHE A 132 -1.475 -4.395 0.002 1.00 0.36 H new ATOM 2243 N GLY A 133 -5.983 -9.303 1.809 1.00 0.22 N ATOM 2244 CA GLY A 133 -7.107 -8.989 0.954 1.00 0.24 C ATOM 2245 C GLY A 133 -8.347 -8.598 1.736 1.00 0.23 C ATOM 2246 O GLY A 133 -9.394 -8.331 1.151 1.00 0.27 O ATOM 0 H GLY A 133 -5.782 -10.299 1.897 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.832 -8.174 0.285 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -7.334 -9.852 0.328 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.243 -8.580 3.058 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.350 -8.133 3.894 1.00 0.29 C ATOM 2252 C LYS A 134 -9.121 -6.691 4.314 1.00 0.30 C ATOM 2253 O LYS A 134 -10.060 -5.928 4.537 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.485 -9.018 5.139 1.00 0.34 C ATOM 2255 CG LYS A 134 -9.552 -10.502 4.831 1.00 0.63 C ATOM 2256 CD LYS A 134 -10.732 -10.838 3.942 1.00 1.29 C ATOM 2257 CE LYS A 134 -10.685 -12.285 3.494 1.00 1.61 C ATOM 2258 NZ LYS A 134 -11.812 -12.620 2.587 1.00 2.43 N ATOM 0 H LYS A 134 -7.410 -8.867 3.572 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.272 -8.206 3.317 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -8.638 -8.831 5.800 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.384 -8.728 5.683 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -8.629 -10.814 4.343 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -9.626 -11.064 5.762 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -11.661 -10.651 4.480 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -10.732 -10.184 3.070 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -9.740 -12.477 2.986 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -10.715 -12.937 4.367 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -11.744 -13.618 2.303 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -12.714 -12.461 3.080 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -11.769 -12.016 1.742 1.00 2.43 H new ATOM 2272 N GLN A 135 -7.854 -6.328 4.407 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.459 -5.010 4.877 1.00 0.31 C ATOM 2274 C GLN A 135 -7.168 -4.096 3.693 1.00 0.30 C ATOM 2275 O GLN A 135 -7.583 -2.939 3.671 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.240 -5.140 5.794 1.00 0.33 C ATOM 2277 CG GLN A 135 -6.398 -6.257 6.815 1.00 0.51 C ATOM 2278 CD GLN A 135 -7.672 -6.135 7.630 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -8.158 -5.035 7.892 1.00 1.83 O ATOM 2280 NE2 GLN A 135 -8.228 -7.269 8.022 1.00 0.75 N ATOM 0 H GLN A 135 -7.072 -6.935 4.160 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.274 -4.564 5.448 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.352 -5.327 5.190 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -6.078 -4.196 6.314 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -6.393 -7.217 6.299 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -5.540 -6.252 7.488 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -7.792 -8.160 7.783 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -9.093 -7.253 8.563 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.484 -4.634 2.694 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.203 -3.896 1.471 1.00 0.26 C ATOM 2291 C PHE A 136 -6.465 -4.779 0.253 1.00 0.23 C ATOM 2292 O PHE A 136 -5.535 -5.188 -0.449 1.00 0.24 O ATOM 2293 CB PHE A 136 -4.762 -3.376 1.466 1.00 0.31 C ATOM 2294 CG PHE A 136 -4.529 -2.274 2.458 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -5.091 -1.024 2.258 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.769 -2.488 3.598 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -4.899 -0.008 3.170 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -3.578 -1.477 4.515 1.00 0.37 C ATOM 2299 CZ PHE A 136 -4.143 -0.237 4.302 1.00 0.58 C ATOM 0 H PHE A 136 -6.112 -5.584 2.707 1.00 0.26 H new ATOM 0 HA PHE A 136 -6.869 -3.034 1.426 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.084 -4.201 1.683 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.516 -3.015 0.467 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -5.687 -0.843 1.376 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.322 -3.456 3.769 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -5.339 0.964 2.999 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -2.986 -1.656 5.400 1.00 0.37 H new ATOM 0 HZ PHE A 136 -3.994 0.555 5.021 1.00 0.58 H new ATOM 2309 N PRO A 137 -7.749 -5.070 -0.020 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.148 -5.962 -1.115 1.00 0.30 C ATOM 2311 C PRO A 137 -7.814 -5.393 -2.484 1.00 0.29 C ATOM 2312 O PRO A 137 -7.724 -6.130 -3.459 1.00 0.30 O ATOM 2313 CB PRO A 137 -9.666 -6.087 -0.951 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.072 -4.875 -0.189 1.00 0.63 C ATOM 2315 CD PRO A 137 -8.918 -4.548 0.713 1.00 0.34 C ATOM 0 HA PRO A 137 -7.620 -6.914 -1.065 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.165 -6.130 -1.919 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -9.931 -6.998 -0.414 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -10.289 -4.045 -0.862 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -10.978 -5.062 0.388 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -8.836 -3.475 0.887 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -9.024 -5.022 1.689 1.00 0.34 H new ATOM 2323 N PHE A 138 -7.614 -4.083 -2.545 1.00 0.32 N ATOM 2324 CA PHE A 138 -7.341 -3.411 -3.807 1.00 0.36 C ATOM 2325 C PHE A 138 -5.998 -3.862 -4.375 1.00 0.35 C ATOM 2326 O PHE A 138 -5.851 -4.037 -5.582 1.00 0.36 O ATOM 2327 CB PHE A 138 -7.354 -1.897 -3.614 1.00 0.43 C ATOM 2328 CG PHE A 138 -7.531 -1.127 -4.893 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -8.800 -0.813 -5.349 1.00 1.21 C ATOM 2330 CD2 PHE A 138 -6.437 -0.717 -5.634 1.00 1.56 C ATOM 2331 CE1 PHE A 138 -8.974 -0.098 -6.518 1.00 1.88 C ATOM 2332 CE2 PHE A 138 -6.605 -0.004 -6.804 1.00 2.23 C ATOM 2333 CZ PHE A 138 -7.876 0.306 -7.247 1.00 2.31 C ATOM 0 H PHE A 138 -7.636 -3.465 -1.734 1.00 0.32 H new ATOM 0 HA PHE A 138 -8.123 -3.679 -4.517 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -8.159 -1.634 -2.927 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -6.420 -1.592 -3.142 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -9.664 -1.131 -4.784 1.00 1.21 H new ATOM 0 HD2 PHE A 138 -5.441 -0.957 -5.293 1.00 1.56 H new ATOM 0 HE1 PHE A 138 -9.969 0.144 -6.860 1.00 1.88 H new ATOM 0 HE2 PHE A 138 -5.743 0.311 -7.373 1.00 2.23 H new ATOM 0 HZ PHE A 138 -8.009 0.864 -8.162 1.00 2.31 H new ATOM 2343 N LEU A 139 -5.021 -4.065 -3.500 1.00 0.35 N ATOM 2344 CA LEU A 139 -3.715 -4.535 -3.939 1.00 0.36 C ATOM 2345 C LEU A 139 -3.765 -6.032 -4.202 1.00 0.33 C ATOM 2346 O LEU A 139 -3.276 -6.497 -5.225 1.00 0.35 O ATOM 2347 CB LEU A 139 -2.611 -4.222 -2.917 1.00 0.40 C ATOM 2348 CG LEU A 139 -2.225 -2.746 -2.754 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -1.884 -2.124 -4.100 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -3.326 -1.965 -2.057 1.00 0.86 C ATOM 0 H LEU A 139 -5.106 -3.914 -2.495 1.00 0.35 H new ATOM 0 HA LEU A 139 -3.470 -4.004 -4.859 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -2.929 -4.600 -1.945 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -1.717 -4.779 -3.199 1.00 0.40 H new ATOM 0 HG LEU A 139 -1.336 -2.700 -2.125 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -1.614 -1.078 -3.959 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -1.045 -2.659 -4.546 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -2.749 -2.190 -4.761 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -3.024 -0.923 -1.955 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -4.241 -2.022 -2.646 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -3.503 -2.389 -1.069 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.388 -6.780 -3.290 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.533 -8.227 -3.458 1.00 0.28 C ATOM 2364 C ALA A 140 -5.252 -8.530 -4.771 1.00 0.28 C ATOM 2365 O ALA A 140 -4.999 -9.543 -5.423 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.289 -8.826 -2.279 1.00 0.25 C ATOM 0 H ALA A 140 -4.798 -6.411 -2.432 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.542 -8.680 -3.491 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.388 -9.902 -2.419 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -4.741 -8.629 -1.358 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.280 -8.376 -2.215 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.150 -7.624 -5.129 1.00 0.26 N ATOM 2373 CA LYS A 141 -6.810 -7.613 -6.423 1.00 0.27 C ATOM 2374 C LYS A 141 -5.790 -7.614 -7.563 1.00 0.29 C ATOM 2375 O LYS A 141 -5.568 -8.635 -8.218 1.00 0.30 O ATOM 2376 CB LYS A 141 -7.674 -6.348 -6.505 1.00 0.28 C ATOM 2377 CG LYS A 141 -8.449 -6.170 -7.800 1.00 0.36 C ATOM 2378 CD LYS A 141 -9.167 -4.829 -7.808 1.00 1.15 C ATOM 2379 CE LYS A 141 -9.972 -4.622 -9.079 1.00 1.76 C ATOM 2380 NZ LYS A 141 -10.625 -3.287 -9.102 1.00 2.58 N ATOM 0 H LYS A 141 -6.444 -6.863 -4.517 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.422 -8.509 -6.524 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.382 -6.358 -5.676 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.031 -5.479 -6.364 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -7.769 -6.231 -8.650 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -9.172 -6.978 -7.912 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -9.830 -4.768 -6.945 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -8.437 -4.026 -7.707 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -9.318 -4.723 -9.945 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -10.731 -5.400 -9.161 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -11.166 -3.180 -9.984 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -11.268 -3.201 -8.289 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -9.899 -2.544 -9.049 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.159 -6.464 -7.776 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.272 -6.259 -8.912 1.00 0.36 C ATOM 2396 C VAL A 142 -3.014 -7.128 -8.851 1.00 0.37 C ATOM 2397 O VAL A 142 -2.447 -7.471 -9.893 1.00 0.44 O ATOM 2398 CB VAL A 142 -3.879 -4.771 -9.042 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -5.064 -3.879 -8.721 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -2.704 -4.431 -8.151 1.00 0.48 C ATOM 0 H VAL A 142 -5.249 -5.651 -7.167 1.00 0.31 H new ATOM 0 HA VAL A 142 -4.833 -6.565 -9.795 1.00 0.36 H new ATOM 0 HB VAL A 142 -3.577 -4.595 -10.074 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -4.769 -2.834 -8.817 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -5.878 -4.092 -9.414 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.397 -4.069 -7.701 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -2.453 -3.377 -8.266 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -2.966 -4.630 -7.112 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -1.846 -5.041 -8.432 1.00 0.48 H new ATOM 2404 N PHE A 143 -2.571 -7.482 -7.646 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.361 -8.290 -7.508 1.00 0.36 C ATOM 2406 C PHE A 143 -1.590 -9.677 -8.083 1.00 0.40 C ATOM 2407 O PHE A 143 -0.867 -10.122 -8.975 1.00 0.47 O ATOM 2408 CB PHE A 143 -0.912 -8.427 -6.046 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.400 -7.166 -5.402 1.00 0.34 C ATOM 2410 CD1 PHE A 143 -0.113 -6.060 -6.183 1.00 0.47 C ATOM 2411 CD2 PHE A 143 -0.206 -7.080 -4.034 1.00 0.58 C ATOM 2412 CE1 PHE A 143 0.355 -4.894 -5.615 1.00 0.47 C ATOM 2413 CE2 PHE A 143 0.263 -5.916 -3.457 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.545 -4.857 -4.180 1.00 0.39 C ATOM 0 H PHE A 143 -3.021 -7.228 -6.767 1.00 0.33 H new ATOM 0 HA PHE A 143 -0.574 -7.774 -8.058 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -1.753 -8.798 -5.460 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.129 -9.184 -5.994 1.00 0.36 H new ATOM 0 HD1 PHE A 143 -0.258 -6.111 -7.252 1.00 0.47 H new ATOM 0 HD2 PHE A 143 -0.424 -7.934 -3.410 1.00 0.58 H new ATOM 0 HE1 PHE A 143 0.574 -4.030 -6.225 1.00 0.47 H new ATOM 0 HE2 PHE A 143 0.401 -5.876 -2.387 1.00 0.62 H new ATOM 0 HZ PHE A 143 0.918 -3.961 -3.706 1.00 0.39 H new ATOM 2424 N GLU A 144 -2.626 -10.336 -7.580 1.00 0.41 N ATOM 2425 CA GLU A 144 -2.913 -11.713 -7.949 1.00 0.45 C ATOM 2426 C GLU A 144 -3.509 -11.800 -9.344 1.00 0.45 C ATOM 2427 O GLU A 144 -3.341 -12.810 -10.030 1.00 0.54 O ATOM 2428 CB GLU A 144 -3.841 -12.357 -6.924 1.00 0.47 C ATOM 2429 CG GLU A 144 -3.223 -12.446 -5.539 1.00 0.60 C ATOM 2430 CD GLU A 144 -1.939 -13.258 -5.522 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -0.901 -12.753 -6.003 1.00 2.58 O ATOM 2432 OE2 GLU A 144 -1.955 -14.408 -5.033 1.00 1.55 O ATOM 0 H GLU A 144 -3.284 -9.935 -6.912 1.00 0.41 H new ATOM 0 HA GLU A 144 -1.971 -12.261 -7.958 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -4.766 -11.783 -6.867 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -4.108 -13.358 -7.262 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -3.017 -11.440 -5.172 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -3.941 -12.895 -4.853 1.00 0.60 H new ATOM 2439 N SER A 145 -4.192 -10.743 -9.770 1.00 0.43 N ATOM 2440 CA SER A 145 -4.709 -10.670 -11.130 1.00 0.49 C ATOM 2441 C SER A 145 -3.545 -10.661 -12.119 1.00 0.57 C ATOM 2442 O SER A 145 -3.676 -11.098 -13.263 1.00 1.32 O ATOM 2443 CB SER A 145 -5.576 -9.417 -11.306 1.00 0.50 C ATOM 2444 OG SER A 145 -6.141 -9.353 -12.604 1.00 1.29 O ATOM 0 H SER A 145 -4.400 -9.927 -9.194 1.00 0.43 H new ATOM 0 HA SER A 145 -5.332 -11.543 -11.324 1.00 0.49 H new ATOM 0 HB2 SER A 145 -6.372 -9.417 -10.561 1.00 0.50 H new ATOM 0 HB3 SER A 145 -4.972 -8.528 -11.127 1.00 0.50 H new ATOM 0 HG SER A 145 -6.689 -8.544 -12.683 1.00 1.29 H new ATOM 2450 N GLY A 146 -2.399 -10.171 -11.660 1.00 0.79 N ATOM 2451 CA GLY A 146 -1.213 -10.164 -12.486 1.00 0.78 C ATOM 2452 C GLY A 146 -0.892 -8.790 -13.028 1.00 0.70 C ATOM 2453 O GLY A 146 0.146 -8.598 -13.652 1.00 1.09 O ATOM 0 H GLY A 146 -2.273 -9.778 -10.727 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -0.367 -10.528 -11.904 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -1.349 -10.856 -13.317 1.00 0.78 H new ATOM 2457 N LYS A 147 -1.770 -7.827 -12.770 1.00 0.54 N ATOM 2458 CA LYS A 147 -1.597 -6.481 -13.300 1.00 0.48 C ATOM 2459 C LYS A 147 -0.323 -5.838 -12.760 1.00 0.40 C ATOM 2460 O LYS A 147 0.549 -5.424 -13.527 1.00 0.45 O ATOM 2461 CB LYS A 147 -2.809 -5.606 -12.972 1.00 0.54 C ATOM 2462 CG LYS A 147 -2.650 -4.179 -13.460 1.00 0.83 C ATOM 2463 CD LYS A 147 -3.951 -3.402 -13.399 1.00 1.15 C ATOM 2464 CE LYS A 147 -3.803 -2.043 -14.066 1.00 1.55 C ATOM 2465 NZ LYS A 147 -3.350 -2.158 -15.478 1.00 1.98 N ATOM 0 H LYS A 147 -2.606 -7.953 -12.199 1.00 0.54 H new ATOM 0 HA LYS A 147 -1.509 -6.562 -14.383 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -3.700 -6.043 -13.423 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -2.967 -5.601 -11.894 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -1.898 -3.672 -12.855 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -2.282 -4.187 -14.486 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -4.741 -3.969 -13.891 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -4.253 -3.271 -12.360 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -4.758 -1.518 -14.034 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -3.089 -1.440 -13.505 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -3.344 -1.216 -15.918 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -2.390 -2.558 -15.503 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -3.998 -2.781 -16.001 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.213 -5.769 -11.440 1.00 0.33 N ATOM 2480 CA ALA A 148 0.967 -5.199 -10.809 1.00 0.29 C ATOM 2481 C ALA A 148 2.202 -6.015 -11.148 1.00 0.31 C ATOM 2482 O ALA A 148 3.288 -5.468 -11.323 1.00 0.34 O ATOM 2483 CB ALA A 148 0.783 -5.118 -9.309 1.00 0.33 C ATOM 0 H ALA A 148 -0.925 -6.100 -10.788 1.00 0.33 H new ATOM 0 HA ALA A 148 1.105 -4.189 -11.194 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.677 -4.689 -8.855 1.00 0.33 H new ATOM 0 HB2 ALA A 148 -0.077 -4.489 -9.081 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.617 -6.118 -8.908 1.00 0.33 H new ATOM 2489 N ALA A 149 2.031 -7.330 -11.232 1.00 0.35 N ATOM 2490 CA ALA A 149 3.109 -8.210 -11.648 1.00 0.41 C ATOM 2491 C ALA A 149 3.635 -7.805 -13.021 1.00 0.43 C ATOM 2492 O ALA A 149 4.829 -7.605 -13.193 1.00 0.51 O ATOM 2493 CB ALA A 149 2.646 -9.657 -11.659 1.00 0.48 C ATOM 0 H ALA A 149 1.155 -7.807 -11.017 1.00 0.35 H new ATOM 0 HA ALA A 149 3.922 -8.116 -10.928 1.00 0.41 H new ATOM 0 HB1 ALA A 149 3.468 -10.300 -11.973 1.00 0.48 H new ATOM 0 HB2 ALA A 149 2.324 -9.944 -10.658 1.00 0.48 H new ATOM 0 HB3 ALA A 149 1.813 -9.767 -12.354 1.00 0.48 H new ATOM 2499 N LYS A 150 2.726 -7.656 -13.982 1.00 0.41 N ATOM 2500 CA LYS A 150 3.096 -7.270 -15.343 1.00 0.46 C ATOM 2501 C LYS A 150 3.796 -5.912 -15.356 1.00 0.45 C ATOM 2502 O LYS A 150 4.797 -5.730 -16.049 1.00 0.59 O ATOM 2503 CB LYS A 150 1.870 -7.228 -16.258 1.00 0.53 C ATOM 2504 CG LYS A 150 1.256 -8.590 -16.542 1.00 1.16 C ATOM 2505 CD LYS A 150 2.244 -9.529 -17.220 1.00 1.45 C ATOM 2506 CE LYS A 150 1.567 -10.816 -17.663 1.00 1.96 C ATOM 2507 NZ LYS A 150 2.528 -11.771 -18.274 1.00 2.82 N ATOM 0 H LYS A 150 1.725 -7.797 -13.843 1.00 0.41 H new ATOM 0 HA LYS A 150 3.786 -8.025 -15.719 1.00 0.46 H new ATOM 0 HB2 LYS A 150 1.113 -6.589 -15.803 1.00 0.53 H new ATOM 0 HB3 LYS A 150 2.152 -6.765 -17.204 1.00 0.53 H new ATOM 0 HG2 LYS A 150 0.914 -9.036 -15.608 1.00 1.16 H new ATOM 0 HG3 LYS A 150 0.378 -8.467 -17.176 1.00 1.16 H new ATOM 0 HD2 LYS A 150 2.687 -9.033 -18.083 1.00 1.45 H new ATOM 0 HD3 LYS A 150 3.058 -9.761 -16.533 1.00 1.45 H new ATOM 0 HE2 LYS A 150 1.085 -11.286 -16.805 1.00 1.96 H new ATOM 0 HE3 LYS A 150 0.781 -10.583 -18.382 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 2.024 -12.634 -18.562 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 2.969 -11.334 -19.108 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 3.264 -12.014 -17.581 1.00 2.82 H new ATOM 2521 N PHE A 151 3.270 -4.969 -14.582 1.00 0.35 N ATOM 2522 CA PHE A 151 3.878 -3.645 -14.454 1.00 0.36 C ATOM 2523 C PHE A 151 5.300 -3.772 -13.905 1.00 0.40 C ATOM 2524 O PHE A 151 6.208 -3.035 -14.295 1.00 0.46 O ATOM 2525 CB PHE A 151 3.027 -2.769 -13.526 1.00 0.34 C ATOM 2526 CG PHE A 151 3.329 -1.298 -13.624 1.00 0.33 C ATOM 2527 CD1 PHE A 151 4.354 -0.741 -12.879 1.00 0.43 C ATOM 2528 CD2 PHE A 151 2.592 -0.477 -14.459 1.00 0.46 C ATOM 2529 CE1 PHE A 151 4.639 0.608 -12.965 1.00 0.44 C ATOM 2530 CE2 PHE A 151 2.871 0.872 -14.549 1.00 0.49 C ATOM 2531 CZ PHE A 151 3.878 1.420 -13.809 1.00 0.39 C ATOM 0 H PHE A 151 2.421 -5.095 -14.031 1.00 0.35 H new ATOM 0 HA PHE A 151 3.924 -3.177 -15.437 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.974 -2.929 -13.757 1.00 0.34 H new ATOM 0 HB3 PHE A 151 3.180 -3.093 -12.497 1.00 0.34 H new ATOM 0 HD1 PHE A 151 4.938 -1.369 -12.222 1.00 0.43 H new ATOM 0 HD2 PHE A 151 1.789 -0.896 -15.047 1.00 0.46 H new ATOM 0 HE1 PHE A 151 5.445 1.032 -12.384 1.00 0.44 H new ATOM 0 HE2 PHE A 151 2.289 1.498 -15.209 1.00 0.49 H new ATOM 0 HZ PHE A 151 4.086 2.478 -13.876 1.00 0.39 H new ATOM 2541 N ALA A 152 5.487 -4.740 -13.022 1.00 0.39 N ATOM 2542 CA ALA A 152 6.776 -4.996 -12.399 1.00 0.44 C ATOM 2543 C ALA A 152 7.729 -5.735 -13.342 1.00 0.52 C ATOM 2544 O ALA A 152 8.907 -5.908 -13.037 1.00 0.59 O ATOM 2545 CB ALA A 152 6.574 -5.818 -11.135 1.00 0.44 C ATOM 0 H ALA A 152 4.747 -5.372 -12.716 1.00 0.39 H new ATOM 0 HA ALA A 152 7.227 -4.034 -12.156 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.540 -6.010 -10.668 1.00 0.44 H new ATOM 0 HB2 ALA A 152 5.938 -5.268 -10.441 1.00 0.44 H new ATOM 0 HB3 ALA A 152 6.099 -6.766 -11.389 1.00 0.44 H new ATOM 2551 N GLY A 153 7.211 -6.170 -14.484 1.00 0.65 N ATOM 2552 CA GLY A 153 8.007 -6.953 -15.414 1.00 0.84 C ATOM 2553 C GLY A 153 7.832 -8.441 -15.189 1.00 1.06 C ATOM 2554 O GLY A 153 8.600 -9.250 -15.706 1.00 1.62 O ATOM 0 H GLY A 153 6.252 -5.995 -14.784 1.00 0.65 H new ATOM 0 HA2 GLY A 153 7.722 -6.704 -16.436 1.00 0.84 H new ATOM 0 HA3 GLY A 153 9.059 -6.690 -15.303 1.00 0.84 H new