USER MOD reduce.3.24.130724 H: found=0, std=0, add=1227, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1226 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: B 97 GLN : amide:sc= 0.012 X(o=-0.35,f=-0.05) USER MOD Set 1.2: B 98 GLN : amide:sc= -0.365 X(o=-0.35,f=-0.05) USER MOD Set 2.1: B 78 HIS : no HD1:sc= -2.59! C(o=-3.7!,f=-5.6!) USER MOD Set 2.2: B 80 SER OG : rot -55:sc= -1.13 USER MOD Set 3.1: B 45 HIS :FLIP no HD1:sc= -0.346 F(o=-0.94,f=-0.37) USER MOD Set 3.2: B 75 THR OG1 : rot 140:sc= -0.0248 USER MOD Set 4.1: B 62 LYS NZ :NH3+ 166:sc= 2.31 (180deg=0.865) USER MOD Set 4.2: B 64 GLN : amide:sc= -1.13! C(o=1.2!,f=-14!) USER MOD Set 5.1: B 54 LYS NZ :NH3+ 139:sc= 2.16 (180deg=-1.94) USER MOD Set 5.2: B 66 GLN : amide:sc= -1.28 K(o=-1,f=-11!) USER MOD Set 5.3: B 76 ASN : amide:sc= -1.91 K(o=-1,f=-3!) USER MOD Set 6.1: B 51 LYS NZ :NH3+ -175:sc= 2.51 (180deg=1.02) USER MOD Set 6.2: B 52 CYS SG : rot 5:sc= 0.55 USER MOD Single : A 397 MET CE :methyl -133:sc= 0 (180deg=-1.62!) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 406 SER OG : rot 44:sc= 1.28 USER MOD Single : A 409 SER OG : rot -97:sc= 1.28 USER MOD Single : A 410 GLN : amide:sc= 1.19 K(o=1.2,f=-0.01) USER MOD Single : A 417 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.14) USER MOD Single : A 418 MET CE :methyl -171:sc= -4.79! (180deg=-5.25!) USER MOD Single : A 419 THR OG1 : rot 180:sc= -0.0936 USER MOD Single : A 423 LYS NZ :NH3+ -128:sc= -2.38! (180deg=-4.34!) USER MOD Single : A 426 TYR OH : rot 180:sc= -1.46 USER MOD Single : A 429 MET CE :methyl 128:sc= -5.95! (180deg=-8.78!) USER MOD Single : A 431 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.69) USER MOD Single : A 433 MET CE :methyl 180:sc= -1.51 (180deg=-1.51) USER MOD Single : B 13 LYS NZ :NH3+ -116:sc= 2.43 (180deg=-1.14) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 1.88 (180deg=1.88) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.331 F(o=-1.6!,f=-0.33) USER MOD Single : B 18 LYS NZ :NH3+ -170:sc= 0.944! (180deg=0.497!) USER MOD Single : B 19 LYS NZ :NH3+ -158:sc= -0.926 (180deg=-1.62!) USER MOD Single : B 20 GLN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -136:sc= -3.67! (180deg=-9.35!) USER MOD Single : B 38 LYS NZ :NH3+ -143:sc= 1.17 (180deg=-1.84!) USER MOD Single : B 42 THR OG1 : rot -140:sc= -1.77! USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -164:sc= -0.177 (180deg=-0.913) USER MOD Single : B 47 TYR OH : rot 152:sc= 0.961 USER MOD Single : B 53 GLN : amide:sc= -3.3! C(o=-3.3!,f=-4!) USER MOD Single : B 56 SER OG : rot -56:sc= 1.07 USER MOD Single : B 60 LYS NZ :NH3+ 144:sc= 1.65 (180deg=-0.329!) USER MOD Single : B 70 HIS : no HE2:sc= -3.05 K(o=-3.1,f=-6.7!) USER MOD Single : B 74 THR OG1 : rot 31:sc= 0.216 USER MOD Single : B 81 ASN : amide:sc= 0.807 K(o=0.81,f=-3.3!) USER MOD Single : B 83 SER OG : rot 180:sc= 0.148 USER MOD Single : B 84 THR OG1 : rot 124:sc= 1.24 USER MOD Single : B 87 LYS NZ :NH3+ 156:sc= 1.31 (180deg=1.2) USER MOD Single : B 93 LYS NZ :NH3+ 178:sc= -0.963 (180deg=-0.974) USER MOD Single : B 102 LYS NZ :NH3+ 174:sc= 0.54 (180deg=0.468) USER MOD Single : B 104 LYS NZ :NH3+ -156:sc= 1.76 (180deg=-0.392!) USER MOD ----------------------------------------------------------------- ATOM 58 N GLU A 382 10.680 13.093 11.448 1.00 0.00 N ATOM 59 CA GLU A 382 9.634 12.134 11.815 1.00 0.00 C ATOM 60 C GLU A 382 8.598 11.962 10.715 1.00 0.00 C ATOM 61 O GLU A 382 7.730 12.809 10.492 1.00 0.00 O ATOM 62 CB GLU A 382 8.976 12.505 13.144 1.00 0.00 C ATOM 63 CG GLU A 382 9.644 11.838 14.340 1.00 0.00 C ATOM 64 CD GLU A 382 10.582 10.716 13.928 1.00 0.00 C ATOM 65 OE1 GLU A 382 10.107 9.583 13.711 1.00 0.00 O ATOM 66 OE2 GLU A 382 11.797 10.968 13.782 1.00 0.00 O ATOM 0 HA GLU A 382 10.124 11.169 11.943 1.00 0.00 H new ATOM 0 HB2 GLU A 382 9.010 13.587 13.271 1.00 0.00 H new ATOM 0 HB3 GLU A 382 7.924 12.220 13.115 1.00 0.00 H new ATOM 0 HG2 GLU A 382 10.202 12.585 14.905 1.00 0.00 H new ATOM 0 HG3 GLU A 382 8.878 11.441 15.006 1.00 0.00 H new ATOM 73 N GLU A 383 8.688 10.834 10.046 1.00 0.00 N ATOM 74 CA GLU A 383 7.808 10.504 8.944 1.00 0.00 C ATOM 75 C GLU A 383 6.428 10.026 9.413 1.00 0.00 C ATOM 76 O GLU A 383 5.846 9.138 8.808 1.00 0.00 O ATOM 77 CB GLU A 383 8.469 9.432 8.071 1.00 0.00 C ATOM 78 CG GLU A 383 9.743 9.895 7.368 1.00 0.00 C ATOM 79 CD GLU A 383 10.937 10.046 8.300 1.00 0.00 C ATOM 80 OE1 GLU A 383 10.924 9.462 9.409 1.00 0.00 O ATOM 81 OE2 GLU A 383 11.899 10.748 7.920 1.00 0.00 O ATOM 0 H GLU A 383 9.379 10.113 10.252 1.00 0.00 H new ATOM 0 HA GLU A 383 7.646 11.414 8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 383 8.704 8.568 8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 383 7.753 9.099 7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 383 9.994 9.181 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 383 9.551 10.851 6.880 1.00 0.00 H new ATOM 88 N ASP A 384 5.909 10.619 10.483 1.00 0.00 N ATOM 89 CA ASP A 384 4.584 10.265 11.004 1.00 0.00 C ATOM 90 C ASP A 384 3.988 11.473 11.706 1.00 0.00 C ATOM 91 O ASP A 384 4.729 12.264 12.292 1.00 0.00 O ATOM 92 CB ASP A 384 4.655 9.084 11.977 1.00 0.00 C ATOM 93 CG ASP A 384 3.361 8.281 12.011 1.00 0.00 C ATOM 94 OD1 ASP A 384 2.271 8.887 11.930 1.00 0.00 O ATOM 95 OD2 ASP A 384 3.437 7.036 12.105 1.00 0.00 O ATOM 0 H ASP A 384 6.384 11.351 11.011 1.00 0.00 H new ATOM 0 HA ASP A 384 3.955 9.965 10.166 1.00 0.00 H new ATOM 0 HB2 ASP A 384 5.478 8.430 11.690 1.00 0.00 H new ATOM 0 HB3 ASP A 384 4.876 9.454 12.978 1.00 0.00 H new ATOM 100 N ASP A 385 2.662 11.615 11.648 1.00 0.00 N ATOM 101 CA ASP A 385 1.989 12.754 12.278 1.00 0.00 C ATOM 102 C ASP A 385 0.473 12.723 12.100 1.00 0.00 C ATOM 103 O ASP A 385 -0.250 13.246 12.948 1.00 0.00 O ATOM 104 CB ASP A 385 2.543 14.089 11.743 1.00 0.00 C ATOM 105 CG ASP A 385 2.086 14.425 10.333 1.00 0.00 C ATOM 106 OD1 ASP A 385 2.090 13.528 9.460 1.00 0.00 O ATOM 107 OD2 ASP A 385 1.737 15.599 10.086 1.00 0.00 O ATOM 0 H ASP A 385 2.037 10.962 11.176 1.00 0.00 H new ATOM 0 HA ASP A 385 2.197 12.672 13.345 1.00 0.00 H new ATOM 0 HB2 ASP A 385 2.239 14.892 12.414 1.00 0.00 H new ATOM 0 HB3 ASP A 385 3.632 14.053 11.762 1.00 0.00 H new ATOM 112 N GLU A 386 -0.020 12.102 11.030 1.00 0.00 N ATOM 113 CA GLU A 386 -1.448 12.068 10.773 1.00 0.00 C ATOM 114 C GLU A 386 -1.704 11.153 9.597 1.00 0.00 C ATOM 115 O GLU A 386 -1.808 11.609 8.459 1.00 0.00 O ATOM 116 CB GLU A 386 -1.925 13.475 10.440 1.00 0.00 C ATOM 117 CG GLU A 386 -3.229 13.881 11.089 1.00 0.00 C ATOM 118 CD GLU A 386 -3.649 15.286 10.704 1.00 0.00 C ATOM 119 OE1 GLU A 386 -2.836 15.995 10.066 1.00 0.00 O ATOM 120 OE2 GLU A 386 -4.782 15.681 11.031 1.00 0.00 O ATOM 0 H GLU A 386 0.549 11.620 10.334 1.00 0.00 H new ATOM 0 HA GLU A 386 -1.984 11.702 11.649 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -1.153 14.184 10.738 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.034 13.559 9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -4.011 13.178 10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -3.128 13.818 12.173 1.00 0.00 H new ATOM 127 N PHE A 387 -1.784 9.864 9.851 1.00 0.00 N ATOM 128 CA PHE A 387 -1.966 8.926 8.765 1.00 0.00 C ATOM 129 C PHE A 387 -3.271 8.155 8.845 1.00 0.00 C ATOM 130 O PHE A 387 -3.784 7.866 9.925 1.00 0.00 O ATOM 131 CB PHE A 387 -0.812 7.923 8.724 1.00 0.00 C ATOM 132 CG PHE A 387 0.544 8.522 8.489 1.00 0.00 C ATOM 133 CD1 PHE A 387 0.677 9.804 7.990 1.00 0.00 C ATOM 134 CD2 PHE A 387 1.691 7.799 8.779 1.00 0.00 C ATOM 135 CE1 PHE A 387 1.913 10.355 7.784 1.00 0.00 C ATOM 136 CE2 PHE A 387 2.932 8.350 8.572 1.00 0.00 C ATOM 137 CZ PHE A 387 3.042 9.629 8.077 1.00 0.00 C ATOM 0 H PHE A 387 -1.727 9.448 10.781 1.00 0.00 H new ATOM 0 HA PHE A 387 -1.990 9.528 7.857 1.00 0.00 H new ATOM 0 HB2 PHE A 387 -0.792 7.377 9.667 1.00 0.00 H new ATOM 0 HB3 PHE A 387 -1.012 7.195 7.938 1.00 0.00 H new ATOM 0 HD1 PHE A 387 -0.207 10.380 7.759 1.00 0.00 H new ATOM 0 HD2 PHE A 387 1.608 6.796 9.170 1.00 0.00 H new ATOM 0 HE1 PHE A 387 2.000 11.358 7.392 1.00 0.00 H new ATOM 0 HE2 PHE A 387 3.821 7.780 8.798 1.00 0.00 H new ATOM 0 HZ PHE A 387 4.018 10.063 7.918 1.00 0.00 H new ATOM 147 N GLU A 388 -3.764 7.802 7.668 1.00 0.00 N ATOM 148 CA GLU A 388 -4.973 7.017 7.515 1.00 0.00 C ATOM 149 C GLU A 388 -4.551 5.589 7.299 1.00 0.00 C ATOM 150 O GLU A 388 -3.750 5.333 6.399 1.00 0.00 O ATOM 151 CB GLU A 388 -5.768 7.456 6.277 1.00 0.00 C ATOM 152 CG GLU A 388 -6.770 8.564 6.517 1.00 0.00 C ATOM 153 CD GLU A 388 -7.825 8.191 7.538 1.00 0.00 C ATOM 154 OE1 GLU A 388 -8.852 7.603 7.141 1.00 0.00 O ATOM 155 OE2 GLU A 388 -7.619 8.478 8.734 1.00 0.00 O ATOM 0 H GLU A 388 -3.328 8.057 6.782 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.598 7.144 8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -5.065 7.783 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.296 6.590 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -6.244 9.457 6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.256 8.818 5.575 1.00 0.00 H new ATOM 162 N GLU A 389 -5.029 4.664 8.107 1.00 0.00 N ATOM 163 CA GLU A 389 -4.661 3.281 7.894 1.00 0.00 C ATOM 164 C GLU A 389 -5.293 2.839 6.584 1.00 0.00 C ATOM 165 O GLU A 389 -6.504 2.632 6.502 1.00 0.00 O ATOM 166 CB GLU A 389 -5.106 2.383 9.055 1.00 0.00 C ATOM 167 CG GLU A 389 -4.752 0.912 8.851 1.00 0.00 C ATOM 168 CD GLU A 389 -3.611 0.428 9.731 1.00 0.00 C ATOM 169 OE1 GLU A 389 -2.652 1.195 9.953 1.00 0.00 O ATOM 170 OE2 GLU A 389 -3.665 -0.737 10.192 1.00 0.00 O ATOM 0 H GLU A 389 -5.654 4.837 8.894 1.00 0.00 H new ATOM 0 HA GLU A 389 -3.576 3.191 7.846 1.00 0.00 H new ATOM 0 HB2 GLU A 389 -4.643 2.736 9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 389 -6.184 2.475 9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 389 -5.635 0.304 9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 389 -4.485 0.754 7.806 1.00 0.00 H new ATOM 177 N VAL A 390 -4.469 2.712 5.559 1.00 0.00 N ATOM 178 CA VAL A 390 -4.952 2.325 4.260 1.00 0.00 C ATOM 179 C VAL A 390 -5.235 0.840 4.254 1.00 0.00 C ATOM 180 O VAL A 390 -4.402 0.042 4.686 1.00 0.00 O ATOM 181 CB VAL A 390 -3.963 2.605 3.119 1.00 0.00 C ATOM 182 CG1 VAL A 390 -4.685 2.552 1.787 1.00 0.00 C ATOM 183 CG2 VAL A 390 -3.262 3.935 3.298 1.00 0.00 C ATOM 0 H VAL A 390 -3.463 2.873 5.608 1.00 0.00 H new ATOM 0 HA VAL A 390 -5.846 2.924 4.084 1.00 0.00 H new ATOM 0 HB VAL A 390 -3.195 1.832 3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -3.978 2.751 0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -5.122 1.563 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.475 3.303 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -2.571 4.096 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -4.001 4.736 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -2.709 3.931 4.237 1.00 0.00 H new ATOM 193 N ALA A 391 -6.380 0.472 3.742 1.00 0.00 N ATOM 194 CA ALA A 391 -6.761 -0.917 3.687 1.00 0.00 C ATOM 195 C ALA A 391 -6.290 -1.530 2.385 1.00 0.00 C ATOM 196 O ALA A 391 -6.345 -0.890 1.341 1.00 0.00 O ATOM 197 CB ALA A 391 -8.269 -1.064 3.831 1.00 0.00 C ATOM 0 H ALA A 391 -7.069 1.117 3.355 1.00 0.00 H new ATOM 0 HA ALA A 391 -6.288 -1.444 4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -8.538 -2.119 3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -8.585 -0.649 4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.766 -0.529 3.021 1.00 0.00 H new ATOM 203 N ASP A 392 -5.759 -2.732 2.481 1.00 0.00 N ATOM 204 CA ASP A 392 -5.301 -3.500 1.327 1.00 0.00 C ATOM 205 C ASP A 392 -6.505 -3.933 0.506 1.00 0.00 C ATOM 206 O ASP A 392 -6.862 -5.111 0.457 1.00 0.00 O ATOM 207 CB ASP A 392 -4.515 -4.727 1.796 1.00 0.00 C ATOM 208 CG ASP A 392 -5.124 -5.384 3.022 1.00 0.00 C ATOM 209 OD1 ASP A 392 -5.087 -4.769 4.116 1.00 0.00 O ATOM 210 OD2 ASP A 392 -5.622 -6.523 2.908 1.00 0.00 O ATOM 0 H ASP A 392 -5.629 -3.214 3.370 1.00 0.00 H new ATOM 0 HA ASP A 392 -4.647 -2.881 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -4.468 -5.454 0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -3.490 -4.432 2.019 1.00 0.00 H new ATOM 215 N ASP A 393 -7.112 -2.968 -0.147 1.00 0.00 N ATOM 216 CA ASP A 393 -8.313 -3.203 -0.917 1.00 0.00 C ATOM 217 C ASP A 393 -8.043 -3.344 -2.406 1.00 0.00 C ATOM 218 O ASP A 393 -7.491 -2.445 -3.042 1.00 0.00 O ATOM 219 CB ASP A 393 -9.283 -2.061 -0.672 1.00 0.00 C ATOM 220 CG ASP A 393 -10.728 -2.477 -0.878 1.00 0.00 C ATOM 221 OD1 ASP A 393 -11.185 -3.414 -0.196 1.00 0.00 O ATOM 222 OD2 ASP A 393 -11.415 -1.870 -1.722 1.00 0.00 O ATOM 0 H ASP A 393 -6.789 -2.001 -0.160 1.00 0.00 H new ATOM 0 HA ASP A 393 -8.739 -4.151 -0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 393 -9.155 -1.691 0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 393 -9.046 -1.236 -1.343 1.00 0.00 H new ATOM 227 N PRO A 394 -8.428 -4.492 -2.976 1.00 0.00 N ATOM 228 CA PRO A 394 -8.269 -4.763 -4.399 1.00 0.00 C ATOM 229 C PRO A 394 -9.335 -4.046 -5.226 1.00 0.00 C ATOM 230 O PRO A 394 -10.325 -3.546 -4.690 1.00 0.00 O ATOM 231 CB PRO A 394 -8.460 -6.278 -4.487 1.00 0.00 C ATOM 232 CG PRO A 394 -9.379 -6.593 -3.366 1.00 0.00 C ATOM 233 CD PRO A 394 -9.041 -5.626 -2.263 1.00 0.00 C ATOM 0 HA PRO A 394 -7.311 -4.418 -4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 394 -8.887 -6.571 -5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 394 -7.512 -6.806 -4.385 1.00 0.00 H new ATOM 0 HG2 PRO A 394 -10.419 -6.485 -3.673 1.00 0.00 H new ATOM 0 HG3 PRO A 394 -9.250 -7.623 -3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 394 -9.930 -5.320 -1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 394 -8.353 -6.065 -1.541 1.00 0.00 H new ATOM 241 N ILE A 395 -9.141 -4.022 -6.530 1.00 0.00 N ATOM 242 CA ILE A 395 -10.082 -3.369 -7.427 1.00 0.00 C ATOM 243 C ILE A 395 -10.911 -4.414 -8.165 1.00 0.00 C ATOM 244 O ILE A 395 -10.369 -5.292 -8.835 1.00 0.00 O ATOM 245 CB ILE A 395 -9.358 -2.456 -8.449 1.00 0.00 C ATOM 246 CG1 ILE A 395 -8.928 -1.148 -7.783 1.00 0.00 C ATOM 247 CG2 ILE A 395 -10.235 -2.169 -9.663 1.00 0.00 C ATOM 248 CD1 ILE A 395 -10.077 -0.345 -7.211 1.00 0.00 C ATOM 0 H ILE A 395 -8.339 -4.447 -6.995 1.00 0.00 H new ATOM 0 HA ILE A 395 -10.737 -2.743 -6.822 1.00 0.00 H new ATOM 0 HB ILE A 395 -8.471 -2.985 -8.797 1.00 0.00 H new ATOM 0 HG12 ILE A 395 -8.222 -1.373 -6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 395 -8.398 -0.537 -8.514 1.00 0.00 H new ATOM 0 HG21 ILE A 395 -9.695 -1.526 -10.358 1.00 0.00 H new ATOM 0 HG22 ILE A 395 -10.489 -3.106 -10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 395 -11.149 -1.669 -9.342 1.00 0.00 H new ATOM 0 HD11 ILE A 395 -9.692 0.568 -6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 395 -10.773 -0.087 -8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 395 -10.594 -0.937 -6.456 1.00 0.00 H new ATOM 260 N VAL A 396 -12.219 -4.315 -8.022 1.00 0.00 N ATOM 261 CA VAL A 396 -13.142 -5.229 -8.671 1.00 0.00 C ATOM 262 C VAL A 396 -14.113 -4.435 -9.532 1.00 0.00 C ATOM 263 O VAL A 396 -14.815 -3.548 -9.048 1.00 0.00 O ATOM 264 CB VAL A 396 -13.893 -6.115 -7.637 1.00 0.00 C ATOM 265 CG1 VAL A 396 -14.123 -5.373 -6.333 1.00 0.00 C ATOM 266 CG2 VAL A 396 -15.203 -6.648 -8.196 1.00 0.00 C ATOM 0 H VAL A 396 -12.672 -3.600 -7.453 1.00 0.00 H new ATOM 0 HA VAL A 396 -12.575 -5.908 -9.308 1.00 0.00 H new ATOM 0 HB VAL A 396 -13.252 -6.971 -7.427 1.00 0.00 H new ATOM 0 HG11 VAL A 396 -14.650 -6.022 -5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 396 -13.163 -5.082 -5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 396 -14.721 -4.482 -6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 396 -15.697 -7.262 -7.443 1.00 0.00 H new ATOM 0 HG22 VAL A 396 -15.850 -5.813 -8.465 1.00 0.00 H new ATOM 0 HG23 VAL A 396 -15.002 -7.251 -9.081 1.00 0.00 H new ATOM 276 N MET A 397 -14.131 -4.739 -10.818 1.00 0.00 N ATOM 277 CA MET A 397 -14.980 -4.034 -11.743 1.00 0.00 C ATOM 278 C MET A 397 -16.373 -4.621 -11.724 1.00 0.00 C ATOM 279 O MET A 397 -16.547 -5.826 -11.569 1.00 0.00 O ATOM 280 CB MET A 397 -14.395 -4.096 -13.156 1.00 0.00 C ATOM 281 CG MET A 397 -12.884 -3.924 -13.191 1.00 0.00 C ATOM 282 SD MET A 397 -12.238 -3.707 -14.858 1.00 0.00 S ATOM 283 CE MET A 397 -12.660 -1.994 -15.160 1.00 0.00 C ATOM 0 H MET A 397 -13.563 -5.473 -11.240 1.00 0.00 H new ATOM 0 HA MET A 397 -15.037 -2.989 -11.438 1.00 0.00 H new ATOM 0 HB2 MET A 397 -14.655 -5.053 -13.607 1.00 0.00 H new ATOM 0 HB3 MET A 397 -14.856 -3.320 -13.767 1.00 0.00 H new ATOM 0 HG2 MET A 397 -12.608 -3.061 -12.585 1.00 0.00 H new ATOM 0 HG3 MET A 397 -12.414 -4.796 -12.736 1.00 0.00 H new ATOM 0 HE1 MET A 397 -13.121 -1.901 -16.143 1.00 0.00 H new ATOM 0 HE2 MET A 397 -13.360 -1.652 -14.398 1.00 0.00 H new ATOM 0 HE3 MET A 397 -11.757 -1.385 -15.123 1.00 0.00 H new ATOM 293 N VAL A 398 -17.352 -3.749 -11.818 1.00 0.00 N ATOM 294 CA VAL A 398 -18.740 -4.148 -11.850 1.00 0.00 C ATOM 295 C VAL A 398 -19.423 -3.461 -13.017 1.00 0.00 C ATOM 296 O VAL A 398 -19.445 -2.227 -13.092 1.00 0.00 O ATOM 297 CB VAL A 398 -19.479 -3.796 -10.551 1.00 0.00 C ATOM 298 CG1 VAL A 398 -20.953 -4.116 -10.697 1.00 0.00 C ATOM 299 CG2 VAL A 398 -18.882 -4.547 -9.372 1.00 0.00 C ATOM 0 H VAL A 398 -17.207 -2.741 -11.874 1.00 0.00 H new ATOM 0 HA VAL A 398 -18.773 -5.232 -11.962 1.00 0.00 H new ATOM 0 HB VAL A 398 -19.366 -2.729 -10.361 1.00 0.00 H new ATOM 0 HG11 VAL A 398 -21.473 -3.865 -9.773 1.00 0.00 H new ATOM 0 HG12 VAL A 398 -21.372 -3.535 -11.519 1.00 0.00 H new ATOM 0 HG13 VAL A 398 -21.076 -5.179 -10.905 1.00 0.00 H new ATOM 0 HG21 VAL A 398 -19.421 -4.283 -8.462 1.00 0.00 H new ATOM 0 HG22 VAL A 398 -18.965 -5.620 -9.544 1.00 0.00 H new ATOM 0 HG23 VAL A 398 -17.831 -4.277 -9.263 1.00 0.00 H new ATOM 309 N ALA A 399 -19.941 -4.263 -13.938 1.00 0.00 N ATOM 310 CA ALA A 399 -20.601 -3.761 -15.126 1.00 0.00 C ATOM 311 C ALA A 399 -19.610 -2.957 -15.962 1.00 0.00 C ATOM 312 O ALA A 399 -19.992 -2.046 -16.702 1.00 0.00 O ATOM 313 CB ALA A 399 -21.827 -2.928 -14.759 1.00 0.00 C ATOM 0 H ALA A 399 -19.913 -5.281 -13.878 1.00 0.00 H new ATOM 0 HA ALA A 399 -20.952 -4.604 -15.721 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -22.304 -2.563 -15.668 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -22.532 -3.544 -14.201 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -21.521 -2.081 -14.145 1.00 0.00 H new ATOM 319 N GLY A 400 -18.324 -3.287 -15.820 1.00 0.00 N ATOM 320 CA GLY A 400 -17.295 -2.592 -16.567 1.00 0.00 C ATOM 321 C GLY A 400 -16.748 -1.387 -15.827 1.00 0.00 C ATOM 322 O GLY A 400 -15.785 -0.762 -16.271 1.00 0.00 O ATOM 0 H GLY A 400 -17.982 -4.022 -15.201 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -16.479 -3.282 -16.782 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -17.702 -2.271 -17.526 1.00 0.00 H new ATOM 326 N ARG A 401 -17.360 -1.051 -14.700 1.00 0.00 N ATOM 327 CA ARG A 401 -16.918 0.087 -13.908 1.00 0.00 C ATOM 328 C ARG A 401 -15.988 -0.380 -12.795 1.00 0.00 C ATOM 329 O ARG A 401 -16.361 -1.223 -11.983 1.00 0.00 O ATOM 330 CB ARG A 401 -18.112 0.838 -13.312 1.00 0.00 C ATOM 331 CG ARG A 401 -18.883 1.675 -14.319 1.00 0.00 C ATOM 332 CD ARG A 401 -20.061 0.909 -14.901 1.00 0.00 C ATOM 333 NE ARG A 401 -20.946 1.779 -15.680 1.00 0.00 N ATOM 334 CZ ARG A 401 -21.532 1.423 -16.826 1.00 0.00 C ATOM 335 NH1 ARG A 401 -21.321 0.217 -17.342 1.00 0.00 N ATOM 336 NH2 ARG A 401 -22.331 2.278 -17.459 1.00 0.00 N ATOM 0 H ARG A 401 -18.162 -1.549 -14.315 1.00 0.00 H new ATOM 0 HA ARG A 401 -16.378 0.769 -14.565 1.00 0.00 H new ATOM 0 HB2 ARG A 401 -18.792 0.117 -12.859 1.00 0.00 H new ATOM 0 HB3 ARG A 401 -17.757 1.487 -12.512 1.00 0.00 H new ATOM 0 HG2 ARG A 401 -19.242 2.584 -13.837 1.00 0.00 H new ATOM 0 HG3 ARG A 401 -18.215 1.983 -15.124 1.00 0.00 H new ATOM 0 HD2 ARG A 401 -19.692 0.104 -15.536 1.00 0.00 H new ATOM 0 HD3 ARG A 401 -20.627 0.445 -14.093 1.00 0.00 H new ATOM 0 HE ARG A 401 -21.126 2.718 -15.324 1.00 0.00 H new ATOM 0 HH11 ARG A 401 -20.709 -0.443 -16.863 1.00 0.00 H new ATOM 0 HH12 ARG A 401 -21.771 -0.049 -18.218 1.00 0.00 H new ATOM 0 HH21 ARG A 401 -22.496 3.206 -17.069 1.00 0.00 H new ATOM 0 HH22 ARG A 401 -22.778 2.006 -18.334 1.00 0.00 H new ATOM 350 N PRO A 402 -14.763 0.153 -12.751 1.00 0.00 N ATOM 351 CA PRO A 402 -13.775 -0.226 -11.740 1.00 0.00 C ATOM 352 C PRO A 402 -14.099 0.316 -10.348 1.00 0.00 C ATOM 353 O PRO A 402 -13.991 1.515 -10.092 1.00 0.00 O ATOM 354 CB PRO A 402 -12.477 0.389 -12.265 1.00 0.00 C ATOM 355 CG PRO A 402 -12.911 1.548 -13.096 1.00 0.00 C ATOM 356 CD PRO A 402 -14.240 1.164 -13.689 1.00 0.00 C ATOM 0 HA PRO A 402 -13.734 -1.307 -11.609 1.00 0.00 H new ATOM 0 HB2 PRO A 402 -11.832 0.709 -11.447 1.00 0.00 H new ATOM 0 HB3 PRO A 402 -11.909 -0.330 -12.856 1.00 0.00 H new ATOM 0 HG2 PRO A 402 -13.001 2.450 -12.490 1.00 0.00 H new ATOM 0 HG3 PRO A 402 -12.182 1.761 -13.878 1.00 0.00 H new ATOM 0 HD2 PRO A 402 -14.907 2.022 -13.765 1.00 0.00 H new ATOM 0 HD3 PRO A 402 -14.127 0.757 -14.694 1.00 0.00 H new ATOM 364 N PHE A 403 -14.511 -0.577 -9.463 1.00 0.00 N ATOM 365 CA PHE A 403 -14.830 -0.213 -8.092 1.00 0.00 C ATOM 366 C PHE A 403 -13.866 -0.923 -7.157 1.00 0.00 C ATOM 367 O PHE A 403 -13.192 -1.866 -7.558 1.00 0.00 O ATOM 368 CB PHE A 403 -16.265 -0.618 -7.734 1.00 0.00 C ATOM 369 CG PHE A 403 -17.324 0.046 -8.571 1.00 0.00 C ATOM 370 CD1 PHE A 403 -17.483 1.424 -8.561 1.00 0.00 C ATOM 371 CD2 PHE A 403 -18.165 -0.715 -9.367 1.00 0.00 C ATOM 372 CE1 PHE A 403 -18.461 2.027 -9.331 1.00 0.00 C ATOM 373 CE2 PHE A 403 -19.142 -0.118 -10.138 1.00 0.00 C ATOM 374 CZ PHE A 403 -19.291 1.255 -10.120 1.00 0.00 C ATOM 0 H PHE A 403 -14.633 -1.568 -9.672 1.00 0.00 H new ATOM 0 HA PHE A 403 -14.740 0.868 -7.988 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -16.361 -1.699 -7.838 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -16.446 -0.381 -6.686 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -16.837 2.032 -7.946 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -18.055 -1.789 -9.384 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -18.576 3.101 -9.315 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -19.789 -0.724 -10.755 1.00 0.00 H new ATOM 0 HZ PHE A 403 -20.055 1.724 -10.722 1.00 0.00 H new ATOM 384 N SER A 404 -13.776 -0.468 -5.927 1.00 0.00 N ATOM 385 CA SER A 404 -12.911 -1.117 -4.963 1.00 0.00 C ATOM 386 C SER A 404 -13.691 -2.237 -4.280 1.00 0.00 C ATOM 387 O SER A 404 -14.919 -2.249 -4.321 1.00 0.00 O ATOM 388 CB SER A 404 -12.407 -0.101 -3.945 1.00 0.00 C ATOM 389 OG SER A 404 -12.309 1.191 -4.524 1.00 0.00 O ATOM 0 H SER A 404 -14.285 0.341 -5.571 1.00 0.00 H new ATOM 0 HA SER A 404 -12.042 -1.542 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 404 -13.083 -0.071 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 404 -11.432 -0.410 -3.569 1.00 0.00 H new ATOM 0 HG SER A 404 -11.985 1.827 -3.852 1.00 0.00 H new ATOM 395 N TYR A 405 -12.994 -3.170 -3.663 1.00 0.00 N ATOM 396 CA TYR A 405 -13.641 -4.291 -2.995 1.00 0.00 C ATOM 397 C TYR A 405 -14.484 -3.804 -1.828 1.00 0.00 C ATOM 398 O TYR A 405 -15.632 -4.219 -1.675 1.00 0.00 O ATOM 399 CB TYR A 405 -12.617 -5.315 -2.513 1.00 0.00 C ATOM 400 CG TYR A 405 -13.237 -6.642 -2.137 1.00 0.00 C ATOM 401 CD1 TYR A 405 -13.756 -6.858 -0.865 1.00 0.00 C ATOM 402 CD2 TYR A 405 -13.318 -7.674 -3.059 1.00 0.00 C ATOM 403 CE1 TYR A 405 -14.337 -8.065 -0.526 1.00 0.00 C ATOM 404 CE2 TYR A 405 -13.899 -8.880 -2.730 1.00 0.00 C ATOM 405 CZ TYR A 405 -14.407 -9.072 -1.463 1.00 0.00 C ATOM 406 OH TYR A 405 -14.991 -10.274 -1.137 1.00 0.00 O ATOM 0 H TYR A 405 -11.976 -3.177 -3.608 1.00 0.00 H new ATOM 0 HA TYR A 405 -14.292 -4.778 -3.721 1.00 0.00 H new ATOM 0 HB2 TYR A 405 -11.876 -5.476 -3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 405 -12.086 -4.911 -1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 405 -13.704 -6.069 -0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 405 -12.919 -7.531 -4.052 1.00 0.00 H new ATOM 0 HE1 TYR A 405 -14.734 -8.218 0.467 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -13.956 -9.672 -3.462 1.00 0.00 H new ATOM 0 HH TYR A 405 -14.959 -10.874 -1.911 1.00 0.00 H new ATOM 416 N SER A 406 -13.919 -2.913 -1.021 1.00 0.00 N ATOM 417 CA SER A 406 -14.631 -2.349 0.123 1.00 0.00 C ATOM 418 C SER A 406 -15.804 -1.499 -0.357 1.00 0.00 C ATOM 419 O SER A 406 -16.666 -1.102 0.424 1.00 0.00 O ATOM 420 CB SER A 406 -13.682 -1.519 0.989 1.00 0.00 C ATOM 421 OG SER A 406 -12.731 -2.347 1.638 1.00 0.00 O ATOM 0 H SER A 406 -12.968 -2.564 -1.137 1.00 0.00 H new ATOM 0 HA SER A 406 -15.019 -3.166 0.731 1.00 0.00 H new ATOM 0 HB2 SER A 406 -13.167 -0.784 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 406 -14.254 -0.964 1.733 1.00 0.00 H new ATOM 0 HG SER A 406 -12.387 -3.010 1.003 1.00 0.00 H new ATOM 427 N GLU A 407 -15.822 -1.229 -1.652 1.00 0.00 N ATOM 428 CA GLU A 407 -16.883 -0.464 -2.272 1.00 0.00 C ATOM 429 C GLU A 407 -17.948 -1.404 -2.813 1.00 0.00 C ATOM 430 O GLU A 407 -19.111 -1.313 -2.439 1.00 0.00 O ATOM 431 CB GLU A 407 -16.317 0.418 -3.385 1.00 0.00 C ATOM 432 CG GLU A 407 -15.930 1.809 -2.916 1.00 0.00 C ATOM 433 CD GLU A 407 -17.143 2.635 -2.518 1.00 0.00 C ATOM 434 OE1 GLU A 407 -18.049 2.807 -3.361 1.00 0.00 O ATOM 435 OE2 GLU A 407 -17.204 3.099 -1.363 1.00 0.00 O ATOM 0 H GLU A 407 -15.098 -1.536 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 407 -17.341 0.185 -1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -15.441 -0.069 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -17.056 0.504 -4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -15.251 1.729 -2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -15.388 2.321 -3.710 1.00 0.00 H new ATOM 442 N VAL A 408 -17.531 -2.334 -3.662 1.00 0.00 N ATOM 443 CA VAL A 408 -18.440 -3.309 -4.254 1.00 0.00 C ATOM 444 C VAL A 408 -19.250 -4.033 -3.171 1.00 0.00 C ATOM 445 O VAL A 408 -20.431 -4.324 -3.354 1.00 0.00 O ATOM 446 CB VAL A 408 -17.662 -4.347 -5.095 1.00 0.00 C ATOM 447 CG1 VAL A 408 -18.588 -5.409 -5.646 1.00 0.00 C ATOM 448 CG2 VAL A 408 -16.910 -3.675 -6.230 1.00 0.00 C ATOM 0 H VAL A 408 -16.560 -2.434 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 408 -19.125 -2.765 -4.904 1.00 0.00 H new ATOM 0 HB VAL A 408 -16.940 -4.827 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 408 -18.012 -6.125 -6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 408 -19.079 -5.927 -4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 408 -19.341 -4.942 -6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 408 -16.371 -4.428 -6.806 1.00 0.00 H new ATOM 0 HG22 VAL A 408 -17.617 -3.159 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 408 -16.201 -2.955 -5.821 1.00 0.00 H new ATOM 458 N SER A 409 -18.608 -4.287 -2.039 1.00 0.00 N ATOM 459 CA SER A 409 -19.256 -4.972 -0.921 1.00 0.00 C ATOM 460 C SER A 409 -20.255 -4.063 -0.205 1.00 0.00 C ATOM 461 O SER A 409 -21.245 -4.530 0.358 1.00 0.00 O ATOM 462 CB SER A 409 -18.199 -5.457 0.074 1.00 0.00 C ATOM 463 OG SER A 409 -17.262 -4.432 0.359 1.00 0.00 O ATOM 0 H SER A 409 -17.636 -4.029 -1.867 1.00 0.00 H new ATOM 0 HA SER A 409 -19.804 -5.823 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 409 -18.683 -5.779 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 409 -17.681 -6.325 -0.334 1.00 0.00 H new ATOM 0 HG SER A 409 -16.466 -4.552 -0.200 1.00 0.00 H new ATOM 469 N GLN A 410 -19.989 -2.764 -0.236 1.00 0.00 N ATOM 470 CA GLN A 410 -20.847 -1.785 0.419 1.00 0.00 C ATOM 471 C GLN A 410 -22.108 -1.504 -0.393 1.00 0.00 C ATOM 472 O GLN A 410 -23.091 -0.994 0.143 1.00 0.00 O ATOM 473 CB GLN A 410 -20.090 -0.480 0.640 1.00 0.00 C ATOM 474 CG GLN A 410 -19.362 -0.397 1.968 1.00 0.00 C ATOM 475 CD GLN A 410 -18.767 0.978 2.197 1.00 0.00 C ATOM 476 OE1 GLN A 410 -19.405 1.858 2.773 1.00 0.00 O ATOM 477 NE2 GLN A 410 -17.547 1.175 1.727 1.00 0.00 N ATOM 0 H GLN A 410 -19.181 -2.362 -0.711 1.00 0.00 H new ATOM 0 HA GLN A 410 -21.144 -2.207 1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -19.367 -0.352 -0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -20.793 0.350 0.572 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -20.053 -0.634 2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -18.570 -1.145 1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -17.054 0.417 1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -17.099 2.085 1.836 1.00 0.00 H new ATOM 486 N ARG A 411 -22.073 -1.798 -1.686 1.00 0.00 N ATOM 487 CA ARG A 411 -23.234 -1.564 -2.538 1.00 0.00 C ATOM 488 C ARG A 411 -23.785 -2.884 -3.076 1.00 0.00 C ATOM 489 O ARG A 411 -23.272 -3.446 -4.058 1.00 0.00 O ATOM 490 CB ARG A 411 -22.901 -0.612 -3.698 1.00 0.00 C ATOM 491 CG ARG A 411 -22.416 0.768 -3.264 1.00 0.00 C ATOM 492 CD ARG A 411 -20.912 0.758 -3.062 1.00 0.00 C ATOM 493 NE ARG A 411 -20.365 1.964 -2.433 1.00 0.00 N ATOM 494 CZ ARG A 411 -20.692 2.425 -1.223 1.00 0.00 C ATOM 495 NH1 ARG A 411 -21.741 1.937 -0.561 1.00 0.00 N ATOM 496 NH2 ARG A 411 -19.958 3.387 -0.679 1.00 0.00 N ATOM 0 H ARG A 411 -21.264 -2.194 -2.165 1.00 0.00 H new ATOM 0 HA ARG A 411 -23.999 -1.089 -1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 411 -22.135 -1.073 -4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 411 -23.788 -0.493 -4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 411 -22.684 1.509 -4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 411 -22.912 1.061 -2.339 1.00 0.00 H new ATOM 0 HD2 ARG A 411 -20.648 -0.105 -2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 411 -20.431 0.621 -4.030 1.00 0.00 H new ATOM 0 HE ARG A 411 -19.676 2.496 -2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 411 -22.309 1.199 -0.978 1.00 0.00 H new ATOM 0 HH12 ARG A 411 -21.976 2.301 0.362 1.00 0.00 H new ATOM 0 HH21 ARG A 411 -19.156 3.764 -1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 411 -20.195 3.749 0.244 1.00 0.00 H new ATOM 510 N PRO A 412 -24.844 -3.399 -2.435 1.00 0.00 N ATOM 511 CA PRO A 412 -25.487 -4.652 -2.835 1.00 0.00 C ATOM 512 C PRO A 412 -26.042 -4.567 -4.251 1.00 0.00 C ATOM 513 O PRO A 412 -26.205 -5.580 -4.928 1.00 0.00 O ATOM 514 CB PRO A 412 -26.627 -4.823 -1.823 1.00 0.00 C ATOM 515 CG PRO A 412 -26.262 -3.947 -0.675 1.00 0.00 C ATOM 516 CD PRO A 412 -25.504 -2.794 -1.264 1.00 0.00 C ATOM 0 HA PRO A 412 -24.788 -5.489 -2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -27.584 -4.529 -2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -26.724 -5.863 -1.510 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -27.152 -3.602 -0.149 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -25.652 -4.486 0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -26.168 -1.978 -1.551 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -24.781 -2.384 -0.559 1.00 0.00 H new ATOM 524 N GLU A 413 -26.307 -3.344 -4.694 1.00 0.00 N ATOM 525 CA GLU A 413 -26.835 -3.095 -6.021 1.00 0.00 C ATOM 526 C GLU A 413 -25.744 -3.351 -7.040 1.00 0.00 C ATOM 527 O GLU A 413 -26.002 -3.833 -8.138 1.00 0.00 O ATOM 528 CB GLU A 413 -27.337 -1.650 -6.154 1.00 0.00 C ATOM 529 CG GLU A 413 -28.108 -1.138 -4.945 1.00 0.00 C ATOM 530 CD GLU A 413 -27.202 -0.729 -3.796 1.00 0.00 C ATOM 531 OE1 GLU A 413 -25.969 -0.693 -3.998 1.00 0.00 O ATOM 532 OE2 GLU A 413 -27.716 -0.471 -2.693 1.00 0.00 O ATOM 0 H GLU A 413 -26.160 -2.500 -4.140 1.00 0.00 H new ATOM 0 HA GLU A 413 -27.678 -3.763 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -26.483 -0.996 -6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -27.977 -1.580 -7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -28.716 -0.284 -5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -28.793 -1.913 -4.602 1.00 0.00 H new ATOM 539 N LEU A 414 -24.515 -3.038 -6.653 1.00 0.00 N ATOM 540 CA LEU A 414 -23.371 -3.247 -7.519 1.00 0.00 C ATOM 541 C LEU A 414 -23.193 -4.729 -7.776 1.00 0.00 C ATOM 542 O LEU A 414 -23.083 -5.154 -8.915 1.00 0.00 O ATOM 543 CB LEU A 414 -22.102 -2.663 -6.902 1.00 0.00 C ATOM 544 CG LEU A 414 -21.997 -1.140 -6.966 1.00 0.00 C ATOM 545 CD1 LEU A 414 -20.637 -0.684 -6.474 1.00 0.00 C ATOM 546 CD2 LEU A 414 -22.249 -0.642 -8.381 1.00 0.00 C ATOM 0 H LEU A 414 -24.288 -2.638 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 414 -23.552 -2.734 -8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -22.047 -2.973 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -21.238 -3.094 -7.408 1.00 0.00 H new ATOM 0 HG LEU A 414 -22.761 -0.715 -6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -20.577 0.403 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -20.496 -1.007 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -19.859 -1.120 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -22.169 0.445 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -21.510 -1.074 -9.056 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -23.248 -0.939 -8.699 1.00 0.00 H new ATOM 558 N VAL A 415 -23.212 -5.520 -6.715 1.00 0.00 N ATOM 559 CA VAL A 415 -23.061 -6.966 -6.860 1.00 0.00 C ATOM 560 C VAL A 415 -24.289 -7.538 -7.572 1.00 0.00 C ATOM 561 O VAL A 415 -24.225 -8.574 -8.233 1.00 0.00 O ATOM 562 CB VAL A 415 -22.847 -7.646 -5.484 1.00 0.00 C ATOM 563 CG1 VAL A 415 -22.930 -9.163 -5.583 1.00 0.00 C ATOM 564 CG2 VAL A 415 -21.503 -7.234 -4.906 1.00 0.00 C ATOM 0 H VAL A 415 -23.329 -5.195 -5.755 1.00 0.00 H new ATOM 0 HA VAL A 415 -22.176 -7.170 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 415 -23.647 -7.315 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 415 -22.775 -9.601 -4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 415 -23.913 -9.450 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 415 -22.162 -9.526 -6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 415 -21.360 -7.716 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 415 -20.706 -7.538 -5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 415 -21.478 -6.152 -4.779 1.00 0.00 H new ATOM 574 N ALA A 416 -25.394 -6.814 -7.468 1.00 0.00 N ATOM 575 CA ALA A 416 -26.639 -7.206 -8.104 1.00 0.00 C ATOM 576 C ALA A 416 -26.645 -6.814 -9.579 1.00 0.00 C ATOM 577 O ALA A 416 -27.505 -7.246 -10.345 1.00 0.00 O ATOM 578 CB ALA A 416 -27.805 -6.558 -7.391 1.00 0.00 C ATOM 0 H ALA A 416 -25.451 -5.942 -6.942 1.00 0.00 H new ATOM 0 HA ALA A 416 -26.733 -8.290 -8.039 1.00 0.00 H new ATOM 0 HB1 ALA A 416 -28.737 -6.855 -7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 416 -27.817 -6.877 -6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 416 -27.703 -5.474 -7.437 1.00 0.00 H new ATOM 584 N GLN A 417 -25.699 -5.967 -9.964 1.00 0.00 N ATOM 585 CA GLN A 417 -25.584 -5.527 -11.344 1.00 0.00 C ATOM 586 C GLN A 417 -24.271 -6.021 -11.900 1.00 0.00 C ATOM 587 O GLN A 417 -23.915 -5.746 -13.045 1.00 0.00 O ATOM 588 CB GLN A 417 -25.662 -4.001 -11.453 1.00 0.00 C ATOM 589 CG GLN A 417 -27.017 -3.434 -11.068 1.00 0.00 C ATOM 590 CD GLN A 417 -28.106 -3.799 -12.059 1.00 0.00 C ATOM 591 OE1 GLN A 417 -28.409 -3.037 -12.974 1.00 0.00 O ATOM 592 NE2 GLN A 417 -28.693 -4.975 -11.896 1.00 0.00 N ATOM 0 H GLN A 417 -24.999 -5.571 -9.336 1.00 0.00 H new ATOM 0 HA GLN A 417 -26.415 -5.938 -11.917 1.00 0.00 H new ATOM 0 HB2 GLN A 417 -24.897 -3.560 -10.814 1.00 0.00 H new ATOM 0 HB3 GLN A 417 -25.431 -3.706 -12.476 1.00 0.00 H new ATOM 0 HG2 GLN A 417 -27.293 -3.801 -10.079 1.00 0.00 H new ATOM 0 HG3 GLN A 417 -26.945 -2.349 -10.996 1.00 0.00 H new ATOM 0 HE21 GLN A 417 -28.415 -5.581 -11.124 1.00 0.00 H new ATOM 0 HE22 GLN A 417 -29.423 -5.274 -12.542 1.00 0.00 H new ATOM 601 N MET A 418 -23.552 -6.756 -11.067 1.00 0.00 N ATOM 602 CA MET A 418 -22.282 -7.298 -11.459 1.00 0.00 C ATOM 603 C MET A 418 -22.527 -8.594 -12.196 1.00 0.00 C ATOM 604 O MET A 418 -23.400 -9.386 -11.832 1.00 0.00 O ATOM 605 CB MET A 418 -21.363 -7.480 -10.242 1.00 0.00 C ATOM 606 CG MET A 418 -21.214 -8.904 -9.743 1.00 0.00 C ATOM 607 SD MET A 418 -20.477 -8.971 -8.096 1.00 0.00 S ATOM 608 CE MET A 418 -19.012 -7.970 -8.334 1.00 0.00 C ATOM 0 H MET A 418 -23.836 -6.986 -10.115 1.00 0.00 H new ATOM 0 HA MET A 418 -21.765 -6.608 -12.125 1.00 0.00 H new ATOM 0 HB2 MET A 418 -20.374 -7.097 -10.495 1.00 0.00 H new ATOM 0 HB3 MET A 418 -21.744 -6.866 -9.426 1.00 0.00 H new ATOM 0 HG2 MET A 418 -22.192 -9.385 -9.722 1.00 0.00 H new ATOM 0 HG3 MET A 418 -20.596 -9.469 -10.440 1.00 0.00 H new ATOM 0 HE1 MET A 418 -18.372 -8.047 -7.455 1.00 0.00 H new ATOM 0 HE2 MET A 418 -18.469 -8.323 -9.211 1.00 0.00 H new ATOM 0 HE3 MET A 418 -19.302 -6.930 -8.481 1.00 0.00 H new ATOM 618 N THR A 419 -21.772 -8.782 -13.241 1.00 0.00 N ATOM 619 CA THR A 419 -21.905 -9.964 -14.076 1.00 0.00 C ATOM 620 C THR A 419 -21.448 -11.201 -13.318 1.00 0.00 C ATOM 621 O THR A 419 -20.766 -11.082 -12.299 1.00 0.00 O ATOM 622 CB THR A 419 -21.086 -9.821 -15.371 1.00 0.00 C ATOM 623 OG1 THR A 419 -19.748 -9.424 -15.057 1.00 0.00 O ATOM 624 CG2 THR A 419 -21.719 -8.800 -16.304 1.00 0.00 C ATOM 0 H THR A 419 -21.048 -8.131 -13.545 1.00 0.00 H new ATOM 0 HA THR A 419 -22.957 -10.070 -14.339 1.00 0.00 H new ATOM 0 HB THR A 419 -21.071 -10.787 -15.876 1.00 0.00 H new ATOM 0 HG1 THR A 419 -19.230 -9.336 -15.884 1.00 0.00 H new ATOM 0 HG21 THR A 419 -21.122 -8.717 -17.212 1.00 0.00 H new ATOM 0 HG22 THR A 419 -22.729 -9.120 -16.562 1.00 0.00 H new ATOM 0 HG23 THR A 419 -21.761 -7.830 -15.808 1.00 0.00 H new ATOM 632 N PRO A 420 -21.840 -12.406 -13.768 1.00 0.00 N ATOM 633 CA PRO A 420 -21.418 -13.647 -13.122 1.00 0.00 C ATOM 634 C PRO A 420 -19.901 -13.685 -13.016 1.00 0.00 C ATOM 635 O PRO A 420 -19.340 -14.076 -11.994 1.00 0.00 O ATOM 636 CB PRO A 420 -21.930 -14.740 -14.063 1.00 0.00 C ATOM 637 CG PRO A 420 -23.066 -14.109 -14.792 1.00 0.00 C ATOM 638 CD PRO A 420 -22.714 -12.653 -14.930 1.00 0.00 C ATOM 0 HA PRO A 420 -21.802 -13.760 -12.108 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -21.151 -15.067 -14.751 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -22.255 -15.620 -13.508 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -23.207 -14.571 -15.769 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -23.999 -14.234 -14.243 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -22.201 -12.450 -15.870 1.00 0.00 H new ATOM 0 HD3 PRO A 420 -23.601 -12.020 -14.908 1.00 0.00 H new ATOM 646 N GLU A 421 -19.261 -13.217 -14.077 1.00 0.00 N ATOM 647 CA GLU A 421 -17.816 -13.151 -14.157 1.00 0.00 C ATOM 648 C GLU A 421 -17.273 -12.218 -13.080 1.00 0.00 C ATOM 649 O GLU A 421 -16.346 -12.570 -12.350 1.00 0.00 O ATOM 650 CB GLU A 421 -17.392 -12.651 -15.542 1.00 0.00 C ATOM 651 CG GLU A 421 -17.798 -13.569 -16.691 1.00 0.00 C ATOM 652 CD GLU A 421 -19.278 -13.491 -17.034 1.00 0.00 C ATOM 653 OE1 GLU A 421 -19.959 -12.560 -16.549 1.00 0.00 O ATOM 654 OE2 GLU A 421 -19.762 -14.365 -17.779 1.00 0.00 O ATOM 0 H GLU A 421 -19.736 -12.871 -14.911 1.00 0.00 H new ATOM 0 HA GLU A 421 -17.408 -14.149 -13.998 1.00 0.00 H new ATOM 0 HB2 GLU A 421 -17.827 -11.665 -15.709 1.00 0.00 H new ATOM 0 HB3 GLU A 421 -16.309 -12.528 -15.555 1.00 0.00 H new ATOM 0 HG2 GLU A 421 -17.214 -13.312 -17.575 1.00 0.00 H new ATOM 0 HG3 GLU A 421 -17.547 -14.597 -16.431 1.00 0.00 H new ATOM 661 N GLU A 422 -17.871 -11.031 -12.970 1.00 0.00 N ATOM 662 CA GLU A 422 -17.452 -10.053 -11.985 1.00 0.00 C ATOM 663 C GLU A 422 -17.744 -10.557 -10.573 1.00 0.00 C ATOM 664 O GLU A 422 -16.944 -10.361 -9.663 1.00 0.00 O ATOM 665 CB GLU A 422 -18.144 -8.723 -12.275 1.00 0.00 C ATOM 666 CG GLU A 422 -17.519 -7.992 -13.456 1.00 0.00 C ATOM 667 CD GLU A 422 -18.398 -6.889 -13.998 1.00 0.00 C ATOM 668 OE1 GLU A 422 -19.641 -7.008 -13.888 1.00 0.00 O ATOM 669 OE2 GLU A 422 -17.856 -5.903 -14.543 1.00 0.00 O ATOM 0 H GLU A 422 -18.649 -10.730 -13.557 1.00 0.00 H new ATOM 0 HA GLU A 422 -16.375 -9.899 -12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 422 -19.200 -8.902 -12.479 1.00 0.00 H new ATOM 0 HB3 GLU A 422 -18.093 -8.089 -11.390 1.00 0.00 H new ATOM 0 HG2 GLU A 422 -16.562 -7.569 -13.150 1.00 0.00 H new ATOM 0 HG3 GLU A 422 -17.312 -8.708 -14.251 1.00 0.00 H new ATOM 676 N LYS A 423 -18.896 -11.199 -10.396 1.00 0.00 N ATOM 677 CA LYS A 423 -19.270 -11.773 -9.105 1.00 0.00 C ATOM 678 C LYS A 423 -18.262 -12.826 -8.670 1.00 0.00 C ATOM 679 O LYS A 423 -17.819 -12.829 -7.524 1.00 0.00 O ATOM 680 CB LYS A 423 -20.660 -12.404 -9.183 1.00 0.00 C ATOM 681 CG LYS A 423 -21.385 -12.440 -7.847 1.00 0.00 C ATOM 682 CD LYS A 423 -22.571 -13.392 -7.873 1.00 0.00 C ATOM 683 CE LYS A 423 -22.139 -14.833 -7.637 1.00 0.00 C ATOM 684 NZ LYS A 423 -21.626 -15.474 -8.877 1.00 0.00 N ATOM 0 H LYS A 423 -19.589 -11.335 -11.132 1.00 0.00 H new ATOM 0 HA LYS A 423 -19.280 -10.967 -8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -21.263 -11.847 -9.900 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -20.568 -13.421 -9.565 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -20.690 -12.746 -7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -21.729 -11.437 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -23.291 -13.098 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -23.078 -13.316 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -21.365 -14.858 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -22.984 -15.406 -7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -22.120 -16.376 -9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -21.793 -14.845 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -20.606 -15.650 -8.780 1.00 0.00 H new ATOM 698 N GLU A 424 -17.890 -13.706 -9.592 1.00 0.00 N ATOM 699 CA GLU A 424 -16.932 -14.760 -9.286 1.00 0.00 C ATOM 700 C GLU A 424 -15.582 -14.137 -8.992 1.00 0.00 C ATOM 701 O GLU A 424 -14.854 -14.585 -8.108 1.00 0.00 O ATOM 702 CB GLU A 424 -16.822 -15.761 -10.437 1.00 0.00 C ATOM 703 CG GLU A 424 -17.649 -17.023 -10.231 1.00 0.00 C ATOM 704 CD GLU A 424 -19.070 -16.738 -9.780 1.00 0.00 C ATOM 705 OE1 GLU A 424 -19.301 -16.616 -8.558 1.00 0.00 O ATOM 706 OE2 GLU A 424 -19.967 -16.625 -10.640 1.00 0.00 O ATOM 0 H GLU A 424 -18.235 -13.711 -10.552 1.00 0.00 H new ATOM 0 HA GLU A 424 -17.280 -15.307 -8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -17.139 -15.276 -11.360 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -15.776 -16.039 -10.566 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -17.677 -17.588 -11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -17.159 -17.654 -9.490 1.00 0.00 H new ATOM 713 N ALA A 425 -15.265 -13.089 -9.740 1.00 0.00 N ATOM 714 CA ALA A 425 -14.025 -12.362 -9.556 1.00 0.00 C ATOM 715 C ALA A 425 -14.007 -11.736 -8.169 1.00 0.00 C ATOM 716 O ALA A 425 -13.034 -11.863 -7.431 1.00 0.00 O ATOM 717 CB ALA A 425 -13.882 -11.297 -10.629 1.00 0.00 C ATOM 0 H ALA A 425 -15.858 -12.724 -10.485 1.00 0.00 H new ATOM 0 HA ALA A 425 -13.183 -13.048 -9.643 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -12.947 -10.756 -10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -13.878 -11.769 -11.612 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -14.718 -10.601 -10.564 1.00 0.00 H new ATOM 723 N TYR A 426 -15.112 -11.083 -7.820 1.00 0.00 N ATOM 724 CA TYR A 426 -15.267 -10.449 -6.521 1.00 0.00 C ATOM 725 C TYR A 426 -15.121 -11.488 -5.415 1.00 0.00 C ATOM 726 O TYR A 426 -14.399 -11.278 -4.438 1.00 0.00 O ATOM 727 CB TYR A 426 -16.642 -9.771 -6.448 1.00 0.00 C ATOM 728 CG TYR A 426 -17.064 -9.349 -5.058 1.00 0.00 C ATOM 729 CD1 TYR A 426 -16.679 -8.122 -4.538 1.00 0.00 C ATOM 730 CD2 TYR A 426 -17.847 -10.181 -4.269 1.00 0.00 C ATOM 731 CE1 TYR A 426 -17.063 -7.735 -3.269 1.00 0.00 C ATOM 732 CE2 TYR A 426 -18.234 -9.804 -3.001 1.00 0.00 C ATOM 733 CZ TYR A 426 -17.840 -8.581 -2.504 1.00 0.00 C ATOM 734 OH TYR A 426 -18.220 -8.207 -1.239 1.00 0.00 O ATOM 0 H TYR A 426 -15.922 -10.980 -8.431 1.00 0.00 H new ATOM 0 HA TYR A 426 -14.492 -9.694 -6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 426 -16.634 -8.893 -7.093 1.00 0.00 H new ATOM 0 HB3 TYR A 426 -17.391 -10.454 -6.849 1.00 0.00 H new ATOM 0 HD1 TYR A 426 -16.070 -7.459 -5.135 1.00 0.00 H new ATOM 0 HD2 TYR A 426 -18.158 -11.140 -4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 426 -16.757 -6.776 -2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 426 -18.843 -10.464 -2.400 1.00 0.00 H new ATOM 0 HH TYR A 426 -18.764 -8.916 -0.838 1.00 0.00 H new ATOM 744 N ILE A 427 -15.806 -12.613 -5.580 1.00 0.00 N ATOM 745 CA ILE A 427 -15.745 -13.691 -4.606 1.00 0.00 C ATOM 746 C ILE A 427 -14.312 -14.211 -4.465 1.00 0.00 C ATOM 747 O ILE A 427 -13.783 -14.317 -3.356 1.00 0.00 O ATOM 748 CB ILE A 427 -16.684 -14.857 -4.989 1.00 0.00 C ATOM 749 CG1 ILE A 427 -18.145 -14.422 -4.848 1.00 0.00 C ATOM 750 CG2 ILE A 427 -16.407 -16.084 -4.126 1.00 0.00 C ATOM 751 CD1 ILE A 427 -19.135 -15.424 -5.399 1.00 0.00 C ATOM 0 H ILE A 427 -16.410 -12.801 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 427 -16.076 -13.283 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 427 -16.495 -15.126 -6.028 1.00 0.00 H new ATOM 0 HG12 ILE A 427 -18.364 -14.251 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 427 -18.282 -13.470 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 427 -17.080 -16.891 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 427 -15.375 -16.404 -4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 427 -16.568 -15.835 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 427 -20.148 -15.046 -5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 427 -18.944 -15.578 -6.461 1.00 0.00 H new ATOM 0 HD13 ILE A 427 -19.027 -16.371 -4.870 1.00 0.00 H new ATOM 763 N ALA A 428 -13.686 -14.506 -5.602 1.00 0.00 N ATOM 764 CA ALA A 428 -12.318 -15.014 -5.629 1.00 0.00 C ATOM 765 C ALA A 428 -11.343 -14.014 -5.013 1.00 0.00 C ATOM 766 O ALA A 428 -10.398 -14.396 -4.322 1.00 0.00 O ATOM 767 CB ALA A 428 -11.912 -15.346 -7.059 1.00 0.00 C ATOM 0 H ALA A 428 -14.110 -14.400 -6.524 1.00 0.00 H new ATOM 0 HA ALA A 428 -12.281 -15.924 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -10.890 -15.724 -7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -12.583 -16.105 -7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -11.972 -14.447 -7.672 1.00 0.00 H new ATOM 773 N MET A 429 -11.581 -12.732 -5.264 1.00 0.00 N ATOM 774 CA MET A 429 -10.735 -11.674 -4.728 1.00 0.00 C ATOM 775 C MET A 429 -10.849 -11.618 -3.212 1.00 0.00 C ATOM 776 O MET A 429 -9.874 -11.340 -2.519 1.00 0.00 O ATOM 777 CB MET A 429 -11.122 -10.324 -5.336 1.00 0.00 C ATOM 778 CG MET A 429 -10.564 -10.109 -6.732 1.00 0.00 C ATOM 779 SD MET A 429 -11.327 -8.709 -7.568 1.00 0.00 S ATOM 780 CE MET A 429 -11.158 -7.450 -6.309 1.00 0.00 C ATOM 0 H MET A 429 -12.356 -12.400 -5.838 1.00 0.00 H new ATOM 0 HA MET A 429 -9.700 -11.893 -4.991 1.00 0.00 H new ATOM 0 HB2 MET A 429 -12.209 -10.248 -5.371 1.00 0.00 H new ATOM 0 HB3 MET A 429 -10.768 -9.525 -4.684 1.00 0.00 H new ATOM 0 HG2 MET A 429 -9.488 -9.949 -6.669 1.00 0.00 H new ATOM 0 HG3 MET A 429 -10.718 -11.011 -7.325 1.00 0.00 H new ATOM 0 HE1 MET A 429 -10.687 -6.566 -6.739 1.00 0.00 H new ATOM 0 HE2 MET A 429 -12.143 -7.186 -5.924 1.00 0.00 H new ATOM 0 HE3 MET A 429 -10.540 -7.830 -5.495 1.00 0.00 H new ATOM 790 N GLY A 430 -12.039 -11.912 -2.705 1.00 0.00 N ATOM 791 CA GLY A 430 -12.269 -11.902 -1.278 1.00 0.00 C ATOM 792 C GLY A 430 -11.464 -12.972 -0.588 1.00 0.00 C ATOM 793 O GLY A 430 -10.908 -12.743 0.481 1.00 0.00 O ATOM 0 H GLY A 430 -12.855 -12.159 -3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -12.005 -10.926 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -13.329 -12.055 -1.077 1.00 0.00 H new ATOM 797 N GLN A 431 -11.388 -14.136 -1.227 1.00 0.00 N ATOM 798 CA GLN A 431 -10.634 -15.272 -0.707 1.00 0.00 C ATOM 799 C GLN A 431 -9.181 -14.875 -0.444 1.00 0.00 C ATOM 800 O GLN A 431 -8.545 -15.369 0.485 1.00 0.00 O ATOM 801 CB GLN A 431 -10.705 -16.434 -1.711 1.00 0.00 C ATOM 802 CG GLN A 431 -9.642 -17.505 -1.515 1.00 0.00 C ATOM 803 CD GLN A 431 -9.785 -18.253 -0.204 1.00 0.00 C ATOM 804 OE1 GLN A 431 -10.892 -18.465 0.290 1.00 0.00 O ATOM 805 NE2 GLN A 431 -8.662 -18.646 0.375 1.00 0.00 N ATOM 0 H GLN A 431 -11.847 -14.318 -2.119 1.00 0.00 H new ATOM 0 HA GLN A 431 -11.072 -15.591 0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 431 -11.688 -16.899 -1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 431 -10.615 -16.031 -2.720 1.00 0.00 H new ATOM 0 HG2 GLN A 431 -9.695 -18.216 -2.340 1.00 0.00 H new ATOM 0 HG3 GLN A 431 -8.656 -17.042 -1.556 1.00 0.00 H new ATOM 0 HE21 GLN A 431 -7.764 -18.450 -0.068 1.00 0.00 H new ATOM 0 HE22 GLN A 431 -8.694 -19.145 1.264 1.00 0.00 H new ATOM 814 N ARG A 432 -8.683 -13.943 -1.246 1.00 0.00 N ATOM 815 CA ARG A 432 -7.315 -13.474 -1.120 1.00 0.00 C ATOM 816 C ARG A 432 -7.107 -12.765 0.218 1.00 0.00 C ATOM 817 O ARG A 432 -6.124 -13.011 0.916 1.00 0.00 O ATOM 818 CB ARG A 432 -6.985 -12.545 -2.287 1.00 0.00 C ATOM 819 CG ARG A 432 -5.592 -11.959 -2.234 1.00 0.00 C ATOM 820 CD ARG A 432 -4.518 -12.981 -2.581 1.00 0.00 C ATOM 821 NE ARG A 432 -3.913 -13.568 -1.384 1.00 0.00 N ATOM 822 CZ ARG A 432 -4.107 -14.823 -0.971 1.00 0.00 C ATOM 823 NH1 ARG A 432 -4.916 -15.640 -1.639 1.00 0.00 N ATOM 824 NH2 ARG A 432 -3.490 -15.257 0.117 1.00 0.00 N ATOM 0 H ARG A 432 -9.212 -13.496 -1.995 1.00 0.00 H new ATOM 0 HA ARG A 432 -6.640 -14.330 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -7.101 -13.096 -3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -7.710 -11.731 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -5.528 -11.119 -2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -5.405 -11.564 -1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 432 -4.954 -13.772 -3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -3.744 -12.504 -3.182 1.00 0.00 H new ATOM 0 HE ARG A 432 -3.299 -12.976 -0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 432 -5.396 -15.310 -2.476 1.00 0.00 H new ATOM 0 HH12 ARG A 432 -5.056 -16.597 -1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 432 -2.870 -14.634 0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 432 -3.634 -16.215 0.437 1.00 0.00 H new ATOM 838 N MET A 433 -8.039 -11.891 0.577 1.00 0.00 N ATOM 839 CA MET A 433 -7.953 -11.166 1.840 1.00 0.00 C ATOM 840 C MET A 433 -8.474 -12.039 2.971 1.00 0.00 C ATOM 841 O MET A 433 -8.170 -11.820 4.140 1.00 0.00 O ATOM 842 CB MET A 433 -8.744 -9.861 1.777 1.00 0.00 C ATOM 843 CG MET A 433 -8.161 -8.848 0.810 1.00 0.00 C ATOM 844 SD MET A 433 -8.821 -9.023 -0.856 1.00 0.00 S ATOM 845 CE MET A 433 -10.543 -8.630 -0.565 1.00 0.00 C ATOM 0 H MET A 433 -8.860 -11.667 0.015 1.00 0.00 H new ATOM 0 HA MET A 433 -6.908 -10.920 2.026 1.00 0.00 H new ATOM 0 HB2 MET A 433 -9.771 -10.081 1.485 1.00 0.00 H new ATOM 0 HB3 MET A 433 -8.783 -9.420 2.773 1.00 0.00 H new ATOM 0 HG2 MET A 433 -8.368 -7.842 1.175 1.00 0.00 H new ATOM 0 HG3 MET A 433 -7.077 -8.960 0.781 1.00 0.00 H new ATOM 0 HE1 MET A 433 -11.094 -8.693 -1.503 1.00 0.00 H new ATOM 0 HE2 MET A 433 -10.962 -9.338 0.150 1.00 0.00 H new ATOM 0 HE3 MET A 433 -10.623 -7.619 -0.165 1.00 0.00 H new ATOM 855 N PHE A 434 -9.263 -13.035 2.605 1.00 0.00 N ATOM 856 CA PHE A 434 -9.828 -13.967 3.563 1.00 0.00 C ATOM 857 C PHE A 434 -8.738 -14.842 4.171 1.00 0.00 C ATOM 858 O PHE A 434 -8.879 -15.356 5.279 1.00 0.00 O ATOM 859 CB PHE A 434 -10.900 -14.819 2.885 1.00 0.00 C ATOM 860 CG PHE A 434 -12.279 -14.229 2.978 1.00 0.00 C ATOM 861 CD1 PHE A 434 -12.599 -13.335 3.989 1.00 0.00 C ATOM 862 CD2 PHE A 434 -13.253 -14.562 2.051 1.00 0.00 C ATOM 863 CE1 PHE A 434 -13.862 -12.785 4.072 1.00 0.00 C ATOM 864 CE2 PHE A 434 -14.520 -14.016 2.131 1.00 0.00 C ATOM 865 CZ PHE A 434 -14.825 -13.125 3.142 1.00 0.00 C ATOM 0 H PHE A 434 -9.529 -13.219 1.638 1.00 0.00 H new ATOM 0 HA PHE A 434 -10.291 -13.404 4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 434 -10.639 -14.950 1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 434 -10.906 -15.810 3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 434 -11.851 -13.066 4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 434 -13.020 -15.256 1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 434 -14.097 -12.089 4.864 1.00 0.00 H new ATOM 0 HE2 PHE A 434 -15.271 -14.286 1.404 1.00 0.00 H new ATOM 0 HZ PHE A 434 -15.814 -12.695 3.205 1.00 0.00 H new ATOM 875 N GLU A 435 -7.640 -14.992 3.442 1.00 0.00 N ATOM 876 CA GLU A 435 -6.509 -15.785 3.914 1.00 0.00 C ATOM 877 C GLU A 435 -5.684 -15.015 4.936 1.00 0.00 C ATOM 878 O GLU A 435 -4.701 -15.520 5.470 1.00 0.00 O ATOM 879 CB GLU A 435 -5.617 -16.206 2.746 1.00 0.00 C ATOM 880 CG GLU A 435 -6.096 -17.450 2.017 1.00 0.00 C ATOM 881 CD GLU A 435 -5.300 -17.713 0.754 1.00 0.00 C ATOM 882 OE1 GLU A 435 -4.052 -17.753 0.830 1.00 0.00 O ATOM 883 OE2 GLU A 435 -5.915 -17.849 -0.324 1.00 0.00 O ATOM 0 H GLU A 435 -7.507 -14.575 2.521 1.00 0.00 H new ATOM 0 HA GLU A 435 -6.913 -16.677 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -5.555 -15.382 2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -4.608 -16.382 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -6.017 -18.311 2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -7.150 -17.338 1.764 1.00 0.00 H new ATOM 890 N ASP A 436 -6.120 -13.805 5.222 1.00 0.00 N ATOM 891 CA ASP A 436 -5.432 -12.936 6.178 1.00 0.00 C ATOM 892 C ASP A 436 -5.956 -13.183 7.586 1.00 0.00 C ATOM 893 O ASP A 436 -5.538 -12.543 8.548 1.00 0.00 O ATOM 894 CB ASP A 436 -5.618 -11.463 5.797 1.00 0.00 C ATOM 895 CG ASP A 436 -4.608 -10.546 6.462 1.00 0.00 C ATOM 896 OD1 ASP A 436 -3.472 -10.993 6.710 1.00 0.00 O ATOM 897 OD2 ASP A 436 -4.942 -9.367 6.712 1.00 0.00 O ATOM 0 H ASP A 436 -6.954 -13.391 4.806 1.00 0.00 H new ATOM 0 HA ASP A 436 -4.368 -13.169 6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 436 -5.536 -11.360 4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 436 -6.624 -11.147 6.072 1.00 0.00 H new ATOM 1036 N GLU B 7 7.557 -6.445 -12.747 1.00 0.00 N ATOM 1037 CA GLU B 7 6.633 -5.396 -13.151 1.00 0.00 C ATOM 1038 C GLU B 7 6.748 -4.185 -12.225 1.00 0.00 C ATOM 1039 O GLU B 7 6.070 -4.117 -11.206 1.00 0.00 O ATOM 1040 CB GLU B 7 5.175 -5.905 -13.154 1.00 0.00 C ATOM 1041 CG GLU B 7 4.989 -7.301 -12.564 1.00 0.00 C ATOM 1042 CD GLU B 7 3.595 -7.534 -11.988 1.00 0.00 C ATOM 1043 OE1 GLU B 7 2.605 -7.112 -12.617 1.00 0.00 O ATOM 1044 OE2 GLU B 7 3.487 -8.145 -10.896 1.00 0.00 O ATOM 0 HA GLU B 7 6.902 -5.099 -14.165 1.00 0.00 H new ATOM 0 HB2 GLU B 7 4.557 -5.203 -12.594 1.00 0.00 H new ATOM 0 HB3 GLU B 7 4.806 -5.906 -14.180 1.00 0.00 H new ATOM 0 HG2 GLU B 7 5.183 -8.043 -13.338 1.00 0.00 H new ATOM 0 HG3 GLU B 7 5.729 -7.458 -11.779 1.00 0.00 H new ATOM 1051 N VAL B 8 7.645 -3.254 -12.547 1.00 0.00 N ATOM 1052 CA VAL B 8 7.782 -2.045 -11.743 1.00 0.00 C ATOM 1053 C VAL B 8 6.501 -1.249 -11.854 1.00 0.00 C ATOM 1054 O VAL B 8 6.072 -0.880 -12.946 1.00 0.00 O ATOM 1055 CB VAL B 8 8.980 -1.183 -12.149 1.00 0.00 C ATOM 1056 CG1 VAL B 8 8.900 0.184 -11.482 1.00 0.00 C ATOM 1057 CG2 VAL B 8 10.249 -1.893 -11.741 1.00 0.00 C ATOM 0 H VAL B 8 8.277 -3.313 -13.345 1.00 0.00 H new ATOM 0 HA VAL B 8 7.966 -2.347 -10.712 1.00 0.00 H new ATOM 0 HB VAL B 8 8.974 -1.032 -13.229 1.00 0.00 H new ATOM 0 HG11 VAL B 8 9.759 0.785 -11.780 1.00 0.00 H new ATOM 0 HG12 VAL B 8 7.982 0.685 -11.789 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.902 0.061 -10.399 1.00 0.00 H new ATOM 0 HG21 VAL B 8 11.111 -1.289 -12.025 1.00 0.00 H new ATOM 0 HG22 VAL B 8 10.251 -2.043 -10.661 1.00 0.00 H new ATOM 0 HG23 VAL B 8 10.302 -2.860 -12.242 1.00 0.00 H new ATOM 1067 N LEU B 9 5.902 -1.005 -10.719 1.00 0.00 N ATOM 1068 CA LEU B 9 4.638 -0.317 -10.653 1.00 0.00 C ATOM 1069 C LEU B 9 4.811 1.186 -10.636 1.00 0.00 C ATOM 1070 O LEU B 9 4.326 1.886 -11.521 1.00 0.00 O ATOM 1071 CB LEU B 9 3.894 -0.793 -9.406 1.00 0.00 C ATOM 1072 CG LEU B 9 4.172 -2.254 -9.055 1.00 0.00 C ATOM 1073 CD1 LEU B 9 3.907 -2.544 -7.595 1.00 0.00 C ATOM 1074 CD2 LEU B 9 3.346 -3.171 -9.928 1.00 0.00 C ATOM 0 H LEU B 9 6.277 -1.278 -9.811 1.00 0.00 H new ATOM 0 HA LEU B 9 4.060 -0.551 -11.547 1.00 0.00 H new ATOM 0 HB2 LEU B 9 4.176 -0.164 -8.561 1.00 0.00 H new ATOM 0 HB3 LEU B 9 2.823 -0.661 -9.558 1.00 0.00 H new ATOM 0 HG LEU B 9 5.230 -2.439 -9.241 1.00 0.00 H new ATOM 0 HD11 LEU B 9 4.117 -3.593 -7.389 1.00 0.00 H new ATOM 0 HD12 LEU B 9 4.550 -1.917 -6.977 1.00 0.00 H new ATOM 0 HD13 LEU B 9 2.863 -2.331 -7.365 1.00 0.00 H new ATOM 0 HD21 LEU B 9 3.555 -4.208 -9.666 1.00 0.00 H new ATOM 0 HD22 LEU B 9 2.287 -2.964 -9.774 1.00 0.00 H new ATOM 0 HD23 LEU B 9 3.600 -3.003 -10.975 1.00 0.00 H new ATOM 1086 N LEU B 10 5.501 1.684 -9.634 1.00 0.00 N ATOM 1087 CA LEU B 10 5.694 3.114 -9.520 1.00 0.00 C ATOM 1088 C LEU B 10 7.057 3.485 -8.965 1.00 0.00 C ATOM 1089 O LEU B 10 7.518 2.928 -7.969 1.00 0.00 O ATOM 1090 CB LEU B 10 4.610 3.683 -8.628 1.00 0.00 C ATOM 1091 CG LEU B 10 4.381 5.183 -8.743 1.00 0.00 C ATOM 1092 CD1 LEU B 10 3.617 5.517 -10.014 1.00 0.00 C ATOM 1093 CD2 LEU B 10 3.638 5.677 -7.516 1.00 0.00 C ATOM 0 H LEU B 10 5.933 1.129 -8.895 1.00 0.00 H new ATOM 0 HA LEU B 10 5.638 3.536 -10.524 1.00 0.00 H new ATOM 0 HB2 LEU B 10 3.674 3.173 -8.854 1.00 0.00 H new ATOM 0 HB3 LEU B 10 4.858 3.450 -7.592 1.00 0.00 H new ATOM 0 HG LEU B 10 5.346 5.688 -8.798 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.465 6.595 -10.075 1.00 0.00 H new ATOM 0 HD12 LEU B 10 4.187 5.182 -10.880 1.00 0.00 H new ATOM 0 HD13 LEU B 10 2.650 5.014 -10.000 1.00 0.00 H new ATOM 0 HD21 LEU B 10 3.474 6.751 -7.598 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.677 5.168 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.229 5.467 -6.624 1.00 0.00 H new ATOM 1105 N ILE B 11 7.694 4.420 -9.643 1.00 0.00 N ATOM 1106 CA ILE B 11 8.987 4.940 -9.239 1.00 0.00 C ATOM 1107 C ILE B 11 8.824 6.357 -8.701 1.00 0.00 C ATOM 1108 O ILE B 11 8.642 7.300 -9.475 1.00 0.00 O ATOM 1109 CB ILE B 11 9.966 4.968 -10.430 1.00 0.00 C ATOM 1110 CG1 ILE B 11 10.261 3.545 -10.908 1.00 0.00 C ATOM 1111 CG2 ILE B 11 11.251 5.692 -10.055 1.00 0.00 C ATOM 1112 CD1 ILE B 11 10.989 3.492 -12.231 1.00 0.00 C ATOM 0 H ILE B 11 7.327 4.843 -10.495 1.00 0.00 H new ATOM 0 HA ILE B 11 9.390 4.287 -8.465 1.00 0.00 H new ATOM 0 HB ILE B 11 9.500 5.516 -11.249 1.00 0.00 H new ATOM 0 HG12 ILE B 11 10.858 3.033 -10.153 1.00 0.00 H new ATOM 0 HG13 ILE B 11 9.322 2.998 -10.997 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.927 5.700 -10.910 1.00 0.00 H new ATOM 0 HG22 ILE B 11 11.020 6.717 -9.766 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.728 5.178 -9.220 1.00 0.00 H new ATOM 0 HD11 ILE B 11 11.165 2.453 -12.508 1.00 0.00 H new ATOM 0 HD12 ILE B 11 10.384 3.975 -12.999 1.00 0.00 H new ATOM 0 HD13 ILE B 11 11.944 4.010 -12.142 1.00 0.00 H new ATOM 1124 N VAL B 12 8.868 6.513 -7.387 1.00 0.00 N ATOM 1125 CA VAL B 12 8.736 7.822 -6.787 1.00 0.00 C ATOM 1126 C VAL B 12 10.101 8.323 -6.391 1.00 0.00 C ATOM 1127 O VAL B 12 10.931 7.547 -5.969 1.00 0.00 O ATOM 1128 CB VAL B 12 7.837 7.792 -5.547 1.00 0.00 C ATOM 1129 CG1 VAL B 12 7.471 9.200 -5.115 1.00 0.00 C ATOM 1130 CG2 VAL B 12 6.598 6.973 -5.819 1.00 0.00 C ATOM 0 H VAL B 12 8.994 5.750 -6.722 1.00 0.00 H new ATOM 0 HA VAL B 12 8.278 8.484 -7.522 1.00 0.00 H new ATOM 0 HB VAL B 12 8.387 7.323 -4.731 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.832 9.155 -4.233 1.00 0.00 H new ATOM 0 HG12 VAL B 12 8.379 9.755 -4.878 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.939 9.702 -5.923 1.00 0.00 H new ATOM 0 HG21 VAL B 12 5.968 6.960 -4.930 1.00 0.00 H new ATOM 0 HG22 VAL B 12 6.045 7.414 -6.649 1.00 0.00 H new ATOM 0 HG23 VAL B 12 6.885 5.953 -6.075 1.00 0.00 H new ATOM 1140 N LYS B 13 10.336 9.605 -6.554 1.00 0.00 N ATOM 1141 CA LYS B 13 11.620 10.200 -6.210 1.00 0.00 C ATOM 1142 C LYS B 13 11.419 11.263 -5.141 1.00 0.00 C ATOM 1143 O LYS B 13 10.283 11.633 -4.844 1.00 0.00 O ATOM 1144 CB LYS B 13 12.315 10.787 -7.448 1.00 0.00 C ATOM 1145 CG LYS B 13 12.661 9.760 -8.534 1.00 0.00 C ATOM 1146 CD LYS B 13 11.431 9.303 -9.318 1.00 0.00 C ATOM 1147 CE LYS B 13 10.392 10.407 -9.385 1.00 0.00 C ATOM 1148 NZ LYS B 13 9.048 9.920 -9.810 1.00 0.00 N ATOM 0 H LYS B 13 9.653 10.265 -6.925 1.00 0.00 H new ATOM 0 HA LYS B 13 12.271 9.420 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.671 11.552 -7.882 1.00 0.00 H new ATOM 0 HB3 LYS B 13 13.232 11.285 -7.132 1.00 0.00 H new ATOM 0 HG2 LYS B 13 13.386 10.194 -9.222 1.00 0.00 H new ATOM 0 HG3 LYS B 13 13.137 8.894 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS B 13 11.725 9.013 -10.327 1.00 0.00 H new ATOM 0 HD3 LYS B 13 11.000 8.421 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS B 13 10.308 10.879 -8.406 1.00 0.00 H new ATOM 0 HE3 LYS B 13 10.731 11.175 -10.081 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 8.793 10.355 -10.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 9.071 8.886 -9.915 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 8.342 10.179 -9.092 1.00 0.00 H new ATOM 1162 N LYS B 14 12.523 11.744 -4.570 1.00 0.00 N ATOM 1163 CA LYS B 14 12.493 12.733 -3.501 1.00 0.00 C ATOM 1164 C LYS B 14 11.743 12.172 -2.294 1.00 0.00 C ATOM 1165 O LYS B 14 11.168 12.906 -1.487 1.00 0.00 O ATOM 1166 CB LYS B 14 11.872 14.026 -4.008 1.00 0.00 C ATOM 1167 CG LYS B 14 12.885 15.000 -4.592 1.00 0.00 C ATOM 1168 CD LYS B 14 12.326 16.412 -4.671 1.00 0.00 C ATOM 1169 CE LYS B 14 12.920 17.310 -3.598 1.00 0.00 C ATOM 1170 NZ LYS B 14 11.924 18.275 -3.063 1.00 0.00 N ATOM 0 H LYS B 14 13.464 11.456 -4.839 1.00 0.00 H new ATOM 0 HA LYS B 14 13.510 12.960 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS B 14 11.129 13.788 -4.769 1.00 0.00 H new ATOM 0 HB3 LYS B 14 11.344 14.512 -3.187 1.00 0.00 H new ATOM 0 HG2 LYS B 14 13.786 14.999 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS B 14 13.177 14.668 -5.588 1.00 0.00 H new ATOM 0 HD2 LYS B 14 12.535 16.832 -5.655 1.00 0.00 H new ATOM 0 HD3 LYS B 14 11.242 16.381 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS B 14 13.303 16.696 -2.783 1.00 0.00 H new ATOM 0 HE3 LYS B 14 13.768 17.856 -4.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 12.371 18.867 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 11.577 18.879 -3.835 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 11.126 17.755 -2.645 1.00 0.00 H new ATOM 1184 N VAL B 15 11.768 10.848 -2.196 1.00 0.00 N ATOM 1185 CA VAL B 15 11.123 10.123 -1.114 1.00 0.00 C ATOM 1186 C VAL B 15 12.087 10.034 0.065 1.00 0.00 C ATOM 1187 O VAL B 15 13.121 9.387 -0.030 1.00 0.00 O ATOM 1188 CB VAL B 15 10.709 8.707 -1.590 1.00 0.00 C ATOM 1189 CG1 VAL B 15 9.733 8.055 -0.632 1.00 0.00 C ATOM 1190 CG2 VAL B 15 10.092 8.783 -2.969 1.00 0.00 C ATOM 0 H VAL B 15 12.240 10.246 -2.871 1.00 0.00 H new ATOM 0 HA VAL B 15 10.221 10.650 -0.803 1.00 0.00 H new ATOM 0 HB VAL B 15 11.610 8.095 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL B 15 9.468 7.064 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL B 15 10.194 7.964 0.351 1.00 0.00 H new ATOM 0 HG13 VAL B 15 8.834 8.667 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL B 15 9.805 7.783 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL B 15 9.210 9.422 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.817 9.198 -3.669 1.00 0.00 H new ATOM 1200 N ARG B 16 11.753 10.697 1.158 1.00 0.00 N ATOM 1201 CA ARG B 16 12.602 10.733 2.333 1.00 0.00 C ATOM 1202 C ARG B 16 12.216 9.676 3.358 1.00 0.00 C ATOM 1203 O ARG B 16 11.059 9.562 3.744 1.00 0.00 O ATOM 1204 CB ARG B 16 12.526 12.124 2.970 1.00 0.00 C ATOM 1205 CG ARG B 16 12.830 13.248 1.993 1.00 0.00 C ATOM 1206 CD ARG B 16 12.478 14.617 2.553 1.00 0.00 C ATOM 1207 NE ARG B 16 13.053 14.844 3.881 1.00 0.00 N ATOM 1208 CZ ARG B 16 14.324 15.184 4.116 1.00 0.00 C ATOM 1209 NH1 ARG B 16 15.195 15.326 3.117 1.00 0.00 N ATOM 1210 NH2 ARG B 16 14.719 15.383 5.366 1.00 0.00 N ATOM 0 H ARG B 16 10.886 11.225 1.255 1.00 0.00 H new ATOM 0 HA ARG B 16 13.621 10.516 2.013 1.00 0.00 H new ATOM 0 HB2 ARG B 16 11.529 12.272 3.385 1.00 0.00 H new ATOM 0 HB3 ARG B 16 13.229 12.174 3.802 1.00 0.00 H new ATOM 0 HG2 ARG B 16 13.889 13.225 1.736 1.00 0.00 H new ATOM 0 HG3 ARG B 16 12.275 13.083 1.070 1.00 0.00 H new ATOM 0 HD2 ARG B 16 12.834 15.388 1.870 1.00 0.00 H new ATOM 0 HD3 ARG B 16 11.394 14.716 2.608 1.00 0.00 H new ATOM 0 HE ARG B 16 12.437 14.734 4.687 1.00 0.00 H new ATOM 0 HH11 ARG B 16 14.895 15.175 2.154 1.00 0.00 H new ATOM 0 HH12 ARG B 16 16.161 15.586 3.316 1.00 0.00 H new ATOM 0 HH21 ARG B 16 14.056 15.276 6.134 1.00 0.00 H new ATOM 0 HH22 ARG B 16 15.686 15.643 5.560 1.00 0.00 H new ATOM 1224 N GLN B 17 13.194 8.896 3.774 1.00 0.00 N ATOM 1225 CA GLN B 17 12.990 7.875 4.787 1.00 0.00 C ATOM 1226 C GLN B 17 13.988 8.115 5.899 1.00 0.00 C ATOM 1227 O GLN B 17 15.173 7.837 5.741 1.00 0.00 O ATOM 1228 CB GLN B 17 13.164 6.466 4.214 1.00 0.00 C ATOM 1229 CG GLN B 17 12.465 5.382 5.030 1.00 0.00 C ATOM 1230 CD GLN B 17 13.200 5.003 6.306 1.00 0.00 C ATOM 1231 OE1 GLN B 17 14.523 5.034 6.267 1.00 0.00 O flip ATOM 1232 NE2 GLN B 17 12.584 4.676 7.316 1.00 0.00 N flip ATOM 0 H GLN B 17 14.150 8.950 3.422 1.00 0.00 H new ATOM 0 HA GLN B 17 11.969 7.941 5.163 1.00 0.00 H new ATOM 0 HB2 GLN B 17 12.778 6.447 3.195 1.00 0.00 H new ATOM 0 HB3 GLN B 17 14.228 6.236 4.156 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.463 5.724 5.287 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.349 4.492 4.411 1.00 0.00 H new ATOM 0 HE21 GLN B 17 11.564 4.664 7.310 1.00 0.00 H new ATOM 0 HE22 GLN B 17 13.092 4.417 8.162 1.00 0.00 H new ATOM 1241 N LYS B 18 13.509 8.661 7.002 1.00 0.00 N ATOM 1242 CA LYS B 18 14.349 8.972 8.149 1.00 0.00 C ATOM 1243 C LYS B 18 15.291 10.123 7.806 1.00 0.00 C ATOM 1244 O LYS B 18 16.513 9.985 7.859 1.00 0.00 O ATOM 1245 CB LYS B 18 15.127 7.742 8.634 1.00 0.00 C ATOM 1246 CG LYS B 18 15.168 7.604 10.150 1.00 0.00 C ATOM 1247 CD LYS B 18 13.771 7.635 10.753 1.00 0.00 C ATOM 1248 CE LYS B 18 13.541 8.899 11.571 1.00 0.00 C ATOM 1249 NZ LYS B 18 12.097 9.152 11.805 1.00 0.00 N ATOM 0 H LYS B 18 12.526 8.902 7.130 1.00 0.00 H new ATOM 0 HA LYS B 18 13.703 9.280 8.971 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.675 6.846 8.208 1.00 0.00 H new ATOM 0 HB3 LYS B 18 16.148 7.795 8.255 1.00 0.00 H new ATOM 0 HG2 LYS B 18 15.660 6.669 10.418 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.766 8.411 10.573 1.00 0.00 H new ATOM 0 HD2 LYS B 18 13.029 7.576 9.957 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.628 6.760 11.387 1.00 0.00 H new ATOM 0 HE2 LYS B 18 14.054 8.810 12.529 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.980 9.752 11.053 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.972 10.100 12.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 11.584 9.094 10.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 11.722 8.439 12.463 1.00 0.00 H new ATOM 1263 N LYS B 19 14.678 11.244 7.414 1.00 0.00 N ATOM 1264 CA LYS B 19 15.370 12.497 7.062 1.00 0.00 C ATOM 1265 C LYS B 19 16.305 12.393 5.841 1.00 0.00 C ATOM 1266 O LYS B 19 17.071 13.323 5.575 1.00 0.00 O ATOM 1267 CB LYS B 19 16.127 13.059 8.282 1.00 0.00 C ATOM 1268 CG LYS B 19 17.599 12.664 8.366 1.00 0.00 C ATOM 1269 CD LYS B 19 18.179 12.945 9.742 1.00 0.00 C ATOM 1270 CE LYS B 19 18.015 11.752 10.672 1.00 0.00 C ATOM 1271 NZ LYS B 19 16.594 11.516 11.028 1.00 0.00 N ATOM 0 H LYS B 19 13.664 11.312 7.329 1.00 0.00 H new ATOM 0 HA LYS B 19 14.583 13.190 6.764 1.00 0.00 H new ATOM 0 HB2 LYS B 19 16.059 14.147 8.263 1.00 0.00 H new ATOM 0 HB3 LYS B 19 15.624 12.723 9.189 1.00 0.00 H new ATOM 0 HG2 LYS B 19 17.705 11.604 8.136 1.00 0.00 H new ATOM 0 HG3 LYS B 19 18.166 13.212 7.613 1.00 0.00 H new ATOM 0 HD2 LYS B 19 19.237 13.192 9.648 1.00 0.00 H new ATOM 0 HD3 LYS B 19 17.686 13.815 10.175 1.00 0.00 H new ATOM 0 HE2 LYS B 19 18.422 10.861 10.194 1.00 0.00 H new ATOM 0 HE3 LYS B 19 18.594 11.918 11.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 16.544 10.972 11.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 16.112 12.429 11.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 16.129 10.981 10.266 1.00 0.00 H new ATOM 1285 N GLN B 20 16.221 11.320 5.064 1.00 0.00 N ATOM 1286 CA GLN B 20 17.090 11.186 3.900 1.00 0.00 C ATOM 1287 C GLN B 20 16.248 10.901 2.671 1.00 0.00 C ATOM 1288 O GLN B 20 15.446 9.969 2.662 1.00 0.00 O ATOM 1289 CB GLN B 20 18.157 10.104 4.115 1.00 0.00 C ATOM 1290 CG GLN B 20 17.598 8.724 4.404 1.00 0.00 C ATOM 1291 CD GLN B 20 18.525 7.885 5.259 1.00 0.00 C ATOM 1292 OE1 GLN B 20 19.356 7.139 4.746 1.00 0.00 O ATOM 1293 NE2 GLN B 20 18.387 8.002 6.571 1.00 0.00 N ATOM 0 H GLN B 20 15.575 10.545 5.213 1.00 0.00 H new ATOM 0 HA GLN B 20 17.624 12.124 3.750 1.00 0.00 H new ATOM 0 HB2 GLN B 20 18.786 10.049 3.227 1.00 0.00 H new ATOM 0 HB3 GLN B 20 18.800 10.404 4.943 1.00 0.00 H new ATOM 0 HG2 GLN B 20 16.637 8.824 4.908 1.00 0.00 H new ATOM 0 HG3 GLN B 20 17.412 8.207 3.462 1.00 0.00 H new ATOM 0 HE21 GLN B 20 17.684 8.633 6.956 1.00 0.00 H new ATOM 0 HE22 GLN B 20 18.984 7.461 7.197 1.00 0.00 H new ATOM 1302 N ASP B 21 16.415 11.715 1.647 1.00 0.00 N ATOM 1303 CA ASP B 21 15.639 11.571 0.430 1.00 0.00 C ATOM 1304 C ASP B 21 16.304 10.712 -0.622 1.00 0.00 C ATOM 1305 O ASP B 21 17.524 10.690 -0.789 1.00 0.00 O ATOM 1306 CB ASP B 21 15.255 12.931 -0.162 1.00 0.00 C ATOM 1307 CG ASP B 21 16.232 14.042 0.164 1.00 0.00 C ATOM 1308 OD1 ASP B 21 17.453 13.800 0.143 1.00 0.00 O ATOM 1309 OD2 ASP B 21 15.760 15.158 0.483 1.00 0.00 O ATOM 0 H ASP B 21 17.083 12.485 1.633 1.00 0.00 H new ATOM 0 HA ASP B 21 14.733 11.047 0.734 1.00 0.00 H new ATOM 0 HB2 ASP B 21 15.177 12.836 -1.245 1.00 0.00 H new ATOM 0 HB3 ASP B 21 14.267 13.210 0.205 1.00 0.00 H new ATOM 1314 N GLY B 22 15.452 9.973 -1.300 1.00 0.00 N ATOM 1315 CA GLY B 22 15.858 9.110 -2.364 1.00 0.00 C ATOM 1316 C GLY B 22 14.697 8.824 -3.278 1.00 0.00 C ATOM 1317 O GLY B 22 14.162 9.732 -3.910 1.00 0.00 O ATOM 0 H GLY B 22 14.448 9.962 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY B 22 16.668 9.573 -2.928 1.00 0.00 H new ATOM 0 HA3 GLY B 22 16.247 8.177 -1.956 1.00 0.00 H new ATOM 1321 N ALA B 23 14.294 7.575 -3.350 1.00 0.00 N ATOM 1322 CA ALA B 23 13.190 7.194 -4.193 1.00 0.00 C ATOM 1323 C ALA B 23 12.465 5.974 -3.647 1.00 0.00 C ATOM 1324 O ALA B 23 13.081 5.088 -3.054 1.00 0.00 O ATOM 1325 CB ALA B 23 13.679 6.947 -5.602 1.00 0.00 C ATOM 0 H ALA B 23 14.718 6.806 -2.832 1.00 0.00 H new ATOM 0 HA ALA B 23 12.473 8.014 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA B 23 12.839 6.659 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA B 23 14.133 7.857 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA B 23 14.419 6.146 -5.595 1.00 0.00 H new ATOM 1331 N LEU B 24 11.161 5.935 -3.864 1.00 0.00 N ATOM 1332 CA LEU B 24 10.338 4.834 -3.414 1.00 0.00 C ATOM 1333 C LEU B 24 9.932 4.026 -4.642 1.00 0.00 C ATOM 1334 O LEU B 24 9.202 4.515 -5.505 1.00 0.00 O ATOM 1335 CB LEU B 24 9.098 5.352 -2.686 1.00 0.00 C ATOM 1336 CG LEU B 24 8.582 4.450 -1.563 1.00 0.00 C ATOM 1337 CD1 LEU B 24 7.086 4.614 -1.381 1.00 0.00 C ATOM 1338 CD2 LEU B 24 8.926 2.999 -1.813 1.00 0.00 C ATOM 0 H LEU B 24 10.648 6.666 -4.356 1.00 0.00 H new ATOM 0 HA LEU B 24 10.894 4.210 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.324 6.333 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.300 5.492 -3.415 1.00 0.00 H new ATOM 0 HG LEU B 24 9.080 4.759 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU B 24 6.744 3.962 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU B 24 6.862 5.650 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU B 24 6.575 4.347 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU B 24 8.544 2.388 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU B 24 8.474 2.674 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU B 24 10.009 2.887 -1.874 1.00 0.00 H new ATOM 1350 N TYR B 25 10.417 2.808 -4.721 1.00 0.00 N ATOM 1351 CA TYR B 25 10.140 1.949 -5.861 1.00 0.00 C ATOM 1352 C TYR B 25 9.144 0.840 -5.550 1.00 0.00 C ATOM 1353 O TYR B 25 9.451 -0.085 -4.797 1.00 0.00 O ATOM 1354 CB TYR B 25 11.433 1.292 -6.334 1.00 0.00 C ATOM 1355 CG TYR B 25 12.224 2.089 -7.330 1.00 0.00 C ATOM 1356 CD1 TYR B 25 12.719 3.343 -7.012 1.00 0.00 C ATOM 1357 CD2 TYR B 25 12.488 1.575 -8.589 1.00 0.00 C ATOM 1358 CE1 TYR B 25 13.457 4.065 -7.922 1.00 0.00 C ATOM 1359 CE2 TYR B 25 13.222 2.289 -9.508 1.00 0.00 C ATOM 1360 CZ TYR B 25 13.707 3.536 -9.172 1.00 0.00 C ATOM 1361 OH TYR B 25 14.447 4.255 -10.085 1.00 0.00 O ATOM 0 H TYR B 25 11.009 2.383 -4.007 1.00 0.00 H new ATOM 0 HA TYR B 25 9.706 2.591 -6.627 1.00 0.00 H new ATOM 0 HB2 TYR B 25 12.062 1.097 -5.466 1.00 0.00 H new ATOM 0 HB3 TYR B 25 11.191 0.325 -6.775 1.00 0.00 H new ATOM 0 HD1 TYR B 25 12.523 3.760 -6.035 1.00 0.00 H new ATOM 0 HD2 TYR B 25 12.112 0.598 -8.854 1.00 0.00 H new ATOM 0 HE1 TYR B 25 13.839 5.041 -7.659 1.00 0.00 H new ATOM 0 HE2 TYR B 25 13.417 1.876 -10.486 1.00 0.00 H new ATOM 0 HH TYR B 25 14.532 3.741 -10.915 1.00 0.00 H new ATOM 1371 N LEU B 26 7.955 0.921 -6.127 1.00 0.00 N ATOM 1372 CA LEU B 26 6.982 -0.142 -5.957 1.00 0.00 C ATOM 1373 C LEU B 26 7.229 -1.139 -7.059 1.00 0.00 C ATOM 1374 O LEU B 26 6.958 -0.847 -8.224 1.00 0.00 O ATOM 1375 CB LEU B 26 5.529 0.329 -6.071 1.00 0.00 C ATOM 1376 CG LEU B 26 5.209 1.685 -5.477 1.00 0.00 C ATOM 1377 CD1 LEU B 26 3.837 2.141 -5.931 1.00 0.00 C ATOM 1378 CD2 LEU B 26 5.249 1.638 -3.968 1.00 0.00 C ATOM 0 H LEU B 26 7.645 1.700 -6.708 1.00 0.00 H new ATOM 0 HA LEU B 26 7.106 -0.553 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.258 0.347 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU B 26 4.891 -0.413 -5.590 1.00 0.00 H new ATOM 0 HG LEU B 26 5.963 2.391 -5.824 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.616 3.117 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.819 2.214 -7.018 1.00 0.00 H new ATOM 0 HD13 LEU B 26 3.087 1.421 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU B 26 5.016 2.624 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.516 0.917 -3.607 1.00 0.00 H new ATOM 0 HD23 LEU B 26 6.244 1.339 -3.640 1.00 0.00 H new ATOM 1390 N MET B 27 7.775 -2.285 -6.731 1.00 0.00 N ATOM 1391 CA MET B 27 8.030 -3.271 -7.751 1.00 0.00 C ATOM 1392 C MET B 27 6.996 -4.364 -7.713 1.00 0.00 C ATOM 1393 O MET B 27 6.223 -4.462 -6.765 1.00 0.00 O ATOM 1394 CB MET B 27 9.441 -3.848 -7.659 1.00 0.00 C ATOM 1395 CG MET B 27 10.461 -3.087 -8.487 1.00 0.00 C ATOM 1396 SD MET B 27 12.095 -3.067 -7.732 1.00 0.00 S ATOM 1397 CE MET B 27 11.772 -2.004 -6.335 1.00 0.00 C ATOM 0 H MET B 27 8.046 -2.554 -5.785 1.00 0.00 H new ATOM 0 HA MET B 27 7.957 -2.762 -8.712 1.00 0.00 H new ATOM 0 HB2 MET B 27 9.758 -3.848 -6.616 1.00 0.00 H new ATOM 0 HB3 MET B 27 9.422 -4.888 -7.986 1.00 0.00 H new ATOM 0 HG2 MET B 27 10.528 -3.538 -9.477 1.00 0.00 H new ATOM 0 HG3 MET B 27 10.117 -2.062 -8.627 1.00 0.00 H new ATOM 0 HE1 MET B 27 12.585 -1.286 -6.229 1.00 0.00 H new ATOM 0 HE2 MET B 27 10.835 -1.471 -6.493 1.00 0.00 H new ATOM 0 HE3 MET B 27 11.699 -2.606 -5.429 1.00 0.00 H new ATOM 1407 N ALA B 28 7.079 -5.222 -8.709 1.00 0.00 N ATOM 1408 CA ALA B 28 6.128 -6.295 -8.935 1.00 0.00 C ATOM 1409 C ALA B 28 5.603 -6.969 -7.677 1.00 0.00 C ATOM 1410 O ALA B 28 4.395 -7.024 -7.450 1.00 0.00 O ATOM 1411 CB ALA B 28 6.785 -7.357 -9.782 1.00 0.00 C ATOM 0 H ALA B 28 7.827 -5.193 -9.402 1.00 0.00 H new ATOM 0 HA ALA B 28 5.271 -5.826 -9.420 1.00 0.00 H new ATOM 0 HB1 ALA B 28 6.080 -8.169 -9.959 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.088 -6.926 -10.736 1.00 0.00 H new ATOM 0 HB3 ALA B 28 7.662 -7.744 -9.264 1.00 0.00 H new ATOM 1417 N GLU B 29 6.513 -7.464 -6.866 1.00 0.00 N ATOM 1418 CA GLU B 29 6.152 -8.185 -5.665 1.00 0.00 C ATOM 1419 C GLU B 29 6.754 -7.571 -4.411 1.00 0.00 C ATOM 1420 O GLU B 29 6.484 -8.033 -3.298 1.00 0.00 O ATOM 1421 CB GLU B 29 6.615 -9.644 -5.801 1.00 0.00 C ATOM 1422 CG GLU B 29 8.129 -9.822 -5.930 1.00 0.00 C ATOM 1423 CD GLU B 29 8.708 -9.264 -7.217 1.00 0.00 C ATOM 1424 OE1 GLU B 29 9.020 -8.052 -7.251 1.00 0.00 O ATOM 1425 OE2 GLU B 29 8.858 -10.024 -8.187 1.00 0.00 O ATOM 0 H GLU B 29 7.518 -7.379 -7.019 1.00 0.00 H new ATOM 0 HA GLU B 29 5.069 -8.131 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU B 29 6.269 -10.204 -4.932 1.00 0.00 H new ATOM 0 HB3 GLU B 29 6.135 -10.084 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU B 29 8.615 -9.336 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.366 -10.884 -5.867 1.00 0.00 H new ATOM 1432 N ARG B 30 7.518 -6.503 -4.564 1.00 0.00 N ATOM 1433 CA ARG B 30 8.160 -5.911 -3.404 1.00 0.00 C ATOM 1434 C ARG B 30 8.330 -4.410 -3.544 1.00 0.00 C ATOM 1435 O ARG B 30 8.567 -3.890 -4.632 1.00 0.00 O ATOM 1436 CB ARG B 30 9.526 -6.570 -3.144 1.00 0.00 C ATOM 1437 CG ARG B 30 10.677 -6.009 -3.972 1.00 0.00 C ATOM 1438 CD ARG B 30 10.815 -6.723 -5.308 1.00 0.00 C ATOM 1439 NE ARG B 30 11.953 -6.224 -6.083 1.00 0.00 N ATOM 1440 CZ ARG B 30 12.211 -6.573 -7.348 1.00 0.00 C ATOM 1441 NH1 ARG B 30 11.397 -7.390 -8.001 1.00 0.00 N ATOM 1442 NH2 ARG B 30 13.275 -6.081 -7.970 1.00 0.00 N ATOM 0 H ARG B 30 7.705 -6.039 -5.453 1.00 0.00 H new ATOM 0 HA ARG B 30 7.503 -6.092 -2.553 1.00 0.00 H new ATOM 0 HB2 ARG B 30 9.771 -6.461 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG B 30 9.441 -7.638 -3.343 1.00 0.00 H new ATOM 0 HG2 ARG B 30 10.516 -4.945 -4.144 1.00 0.00 H new ATOM 0 HG3 ARG B 30 11.607 -6.104 -3.412 1.00 0.00 H new ATOM 0 HD2 ARG B 30 10.935 -7.793 -5.136 1.00 0.00 H new ATOM 0 HD3 ARG B 30 9.899 -6.593 -5.885 1.00 0.00 H new ATOM 0 HE ARG B 30 12.589 -5.569 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG B 30 10.566 -7.758 -7.539 1.00 0.00 H new ATOM 0 HH12 ARG B 30 11.602 -7.651 -8.966 1.00 0.00 H new ATOM 0 HH21 ARG B 30 13.897 -5.436 -7.483 1.00 0.00 H new ATOM 0 HH22 ARG B 30 13.471 -6.348 -8.935 1.00 0.00 H new ATOM 1456 N ILE B 31 8.202 -3.727 -2.428 1.00 0.00 N ATOM 1457 CA ILE B 31 8.371 -2.294 -2.384 1.00 0.00 C ATOM 1458 C ILE B 31 9.753 -1.998 -1.814 1.00 0.00 C ATOM 1459 O ILE B 31 10.065 -2.376 -0.683 1.00 0.00 O ATOM 1460 CB ILE B 31 7.263 -1.611 -1.544 1.00 0.00 C ATOM 1461 CG1 ILE B 31 7.642 -0.168 -1.209 1.00 0.00 C ATOM 1462 CG2 ILE B 31 6.975 -2.406 -0.276 1.00 0.00 C ATOM 1463 CD1 ILE B 31 6.478 0.670 -0.728 1.00 0.00 C ATOM 0 H ILE B 31 7.978 -4.150 -1.527 1.00 0.00 H new ATOM 0 HA ILE B 31 8.286 -1.887 -3.392 1.00 0.00 H new ATOM 0 HB ILE B 31 6.352 -1.589 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE B 31 8.416 -0.174 -0.441 1.00 0.00 H new ATOM 0 HG13 ILE B 31 8.074 0.300 -2.094 1.00 0.00 H new ATOM 0 HG21 ILE B 31 6.194 -1.907 0.297 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.644 -3.410 -0.543 1.00 0.00 H new ATOM 0 HG23 ILE B 31 7.881 -2.471 0.326 1.00 0.00 H new ATOM 0 HD11 ILE B 31 6.823 1.681 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE B 31 5.712 0.707 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE B 31 6.059 0.227 0.175 1.00 0.00 H new ATOM 1475 N ALA B 32 10.595 -1.368 -2.613 1.00 0.00 N ATOM 1476 CA ALA B 32 11.946 -1.068 -2.184 1.00 0.00 C ATOM 1477 C ALA B 32 12.272 0.405 -2.345 1.00 0.00 C ATOM 1478 O ALA B 32 11.971 1.018 -3.361 1.00 0.00 O ATOM 1479 CB ALA B 32 12.945 -1.925 -2.940 1.00 0.00 C ATOM 0 H ALA B 32 10.368 -1.056 -3.557 1.00 0.00 H new ATOM 0 HA ALA B 32 12.016 -1.303 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA B 32 13.955 -1.687 -2.606 1.00 0.00 H new ATOM 0 HB2 ALA B 32 12.738 -2.978 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA B 32 12.860 -1.726 -4.008 1.00 0.00 H new ATOM 1485 N TRP B 33 12.889 0.959 -1.325 1.00 0.00 N ATOM 1486 CA TRP B 33 13.273 2.354 -1.312 1.00 0.00 C ATOM 1487 C TRP B 33 14.791 2.471 -1.273 1.00 0.00 C ATOM 1488 O TRP B 33 15.472 1.631 -0.675 1.00 0.00 O ATOM 1489 CB TRP B 33 12.640 3.016 -0.077 1.00 0.00 C ATOM 1490 CG TRP B 33 12.970 4.473 0.146 1.00 0.00 C ATOM 1491 CD1 TRP B 33 12.132 5.540 0.002 1.00 0.00 C ATOM 1492 CD2 TRP B 33 14.219 5.014 0.587 1.00 0.00 C ATOM 1493 NE1 TRP B 33 12.790 6.701 0.339 1.00 0.00 N ATOM 1494 CE2 TRP B 33 14.069 6.401 0.698 1.00 0.00 C ATOM 1495 CE3 TRP B 33 15.444 4.452 0.897 1.00 0.00 C ATOM 1496 CZ2 TRP B 33 15.103 7.232 1.116 1.00 0.00 C ATOM 1497 CZ3 TRP B 33 16.474 5.262 1.298 1.00 0.00 C ATOM 1498 CH2 TRP B 33 16.301 6.650 1.411 1.00 0.00 C ATOM 0 H TRP B 33 13.140 0.452 -0.476 1.00 0.00 H new ATOM 0 HA TRP B 33 12.922 2.856 -2.213 1.00 0.00 H new ATOM 0 HB2 TRP B 33 11.557 2.919 -0.154 1.00 0.00 H new ATOM 0 HB3 TRP B 33 12.948 2.457 0.806 1.00 0.00 H new ATOM 0 HD1 TRP B 33 11.105 5.482 -0.327 1.00 0.00 H new ATOM 0 HE1 TRP B 33 12.384 7.637 0.322 1.00 0.00 H new ATOM 0 HE3 TRP B 33 15.588 3.384 0.824 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 14.963 8.299 1.204 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 17.434 4.825 1.531 1.00 0.00 H new ATOM 0 HH2 TRP B 33 17.127 7.265 1.736 1.00 0.00 H new ATOM 1509 N ALA B 34 15.310 3.503 -1.917 1.00 0.00 N ATOM 1510 CA ALA B 34 16.740 3.778 -1.931 1.00 0.00 C ATOM 1511 C ALA B 34 16.947 5.283 -1.968 1.00 0.00 C ATOM 1512 O ALA B 34 16.131 5.987 -2.544 1.00 0.00 O ATOM 1513 CB ALA B 34 17.405 3.122 -3.114 1.00 0.00 C ATOM 0 H ALA B 34 14.753 4.175 -2.445 1.00 0.00 H new ATOM 0 HA ALA B 34 17.196 3.366 -1.031 1.00 0.00 H new ATOM 0 HB1 ALA B 34 18.472 3.343 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA B 34 17.257 2.043 -3.062 1.00 0.00 H new ATOM 0 HB3 ALA B 34 16.967 3.504 -4.036 1.00 0.00 H new ATOM 1519 N PRO B 35 18.017 5.807 -1.357 1.00 0.00 N ATOM 1520 CA PRO B 35 18.263 7.248 -1.331 1.00 0.00 C ATOM 1521 C PRO B 35 18.804 7.747 -2.665 1.00 0.00 C ATOM 1522 O PRO B 35 19.013 6.949 -3.586 1.00 0.00 O ATOM 1523 CB PRO B 35 19.303 7.409 -0.223 1.00 0.00 C ATOM 1524 CG PRO B 35 20.029 6.104 -0.169 1.00 0.00 C ATOM 1525 CD PRO B 35 19.080 5.047 -0.676 1.00 0.00 C ATOM 0 HA PRO B 35 17.356 7.826 -1.155 1.00 0.00 H new ATOM 0 HB2 PRO B 35 19.986 8.230 -0.441 1.00 0.00 H new ATOM 0 HB3 PRO B 35 18.828 7.635 0.732 1.00 0.00 H new ATOM 0 HG2 PRO B 35 20.930 6.139 -0.782 1.00 0.00 H new ATOM 0 HG3 PRO B 35 20.345 5.881 0.850 1.00 0.00 H new ATOM 0 HD2 PRO B 35 19.578 4.360 -1.360 1.00 0.00 H new ATOM 0 HD3 PRO B 35 18.679 4.448 0.141 1.00 0.00 H new ATOM 1533 N GLU B 36 18.997 9.061 -2.789 1.00 0.00 N ATOM 1534 CA GLU B 36 19.524 9.618 -4.028 1.00 0.00 C ATOM 1535 C GLU B 36 20.844 8.937 -4.383 1.00 0.00 C ATOM 1536 O GLU B 36 21.665 8.645 -3.513 1.00 0.00 O ATOM 1537 CB GLU B 36 19.686 11.135 -3.941 1.00 0.00 C ATOM 1538 CG GLU B 36 19.474 11.831 -5.281 1.00 0.00 C ATOM 1539 CD GLU B 36 18.640 10.998 -6.245 1.00 0.00 C ATOM 1540 OE1 GLU B 36 17.397 11.111 -6.229 1.00 0.00 O ATOM 1541 OE2 GLU B 36 19.226 10.197 -7.011 1.00 0.00 O ATOM 0 H GLU B 36 18.800 9.746 -2.059 1.00 0.00 H new ATOM 0 HA GLU B 36 18.806 9.424 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU B 36 18.975 11.530 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU B 36 20.684 11.368 -3.570 1.00 0.00 H new ATOM 0 HG2 GLU B 36 18.982 12.790 -5.115 1.00 0.00 H new ATOM 0 HG3 GLU B 36 20.443 12.044 -5.734 1.00 0.00 H new ATOM 1548 N GLY B 37 21.029 8.685 -5.668 1.00 0.00 N ATOM 1549 CA GLY B 37 22.202 7.977 -6.133 1.00 0.00 C ATOM 1550 C GLY B 37 21.848 6.525 -6.379 1.00 0.00 C ATOM 1551 O GLY B 37 22.308 5.909 -7.340 1.00 0.00 O ATOM 0 H GLY B 37 20.380 8.961 -6.405 1.00 0.00 H new ATOM 0 HA2 GLY B 37 22.575 8.432 -7.050 1.00 0.00 H new ATOM 0 HA3 GLY B 37 23.000 8.048 -5.394 1.00 0.00 H new ATOM 1555 N LYS B 38 20.986 6.012 -5.503 1.00 0.00 N ATOM 1556 CA LYS B 38 20.485 4.643 -5.562 1.00 0.00 C ATOM 1557 C LYS B 38 21.609 3.607 -5.547 1.00 0.00 C ATOM 1558 O LYS B 38 22.347 3.513 -4.564 1.00 0.00 O ATOM 1559 CB LYS B 38 19.578 4.441 -6.785 1.00 0.00 C ATOM 1560 CG LYS B 38 18.244 5.176 -6.693 1.00 0.00 C ATOM 1561 CD LYS B 38 18.342 6.597 -7.232 1.00 0.00 C ATOM 1562 CE LYS B 38 17.086 7.397 -6.927 1.00 0.00 C ATOM 1563 NZ LYS B 38 17.117 8.745 -7.557 1.00 0.00 N ATOM 0 H LYS B 38 20.611 6.546 -4.719 1.00 0.00 H new ATOM 0 HA LYS B 38 19.894 4.487 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS B 38 20.107 4.778 -7.677 1.00 0.00 H new ATOM 0 HB3 LYS B 38 19.387 3.375 -6.911 1.00 0.00 H new ATOM 0 HG2 LYS B 38 17.487 4.627 -7.253 1.00 0.00 H new ATOM 0 HG3 LYS B 38 17.915 5.203 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS B 38 19.207 7.095 -6.793 1.00 0.00 H new ATOM 0 HD3 LYS B 38 18.503 6.568 -8.310 1.00 0.00 H new ATOM 0 HE2 LYS B 38 16.213 6.850 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS B 38 16.977 7.504 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 16.677 9.437 -6.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 18.103 9.020 -7.740 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 16.592 8.721 -8.455 1.00 0.00 H new ATOM 1577 N ASP B 39 21.720 2.840 -6.640 1.00 0.00 N ATOM 1578 CA ASP B 39 22.715 1.769 -6.785 1.00 0.00 C ATOM 1579 C ASP B 39 22.357 0.590 -5.879 1.00 0.00 C ATOM 1580 O ASP B 39 22.170 -0.535 -6.345 1.00 0.00 O ATOM 1581 CB ASP B 39 24.140 2.268 -6.505 1.00 0.00 C ATOM 1582 CG ASP B 39 25.171 1.161 -6.611 1.00 0.00 C ATOM 1583 OD1 ASP B 39 25.344 0.597 -7.714 1.00 0.00 O ATOM 1584 OD2 ASP B 39 25.793 0.826 -5.584 1.00 0.00 O ATOM 0 H ASP B 39 21.116 2.946 -7.455 1.00 0.00 H new ATOM 0 HA ASP B 39 22.695 1.433 -7.822 1.00 0.00 H new ATOM 0 HB2 ASP B 39 24.389 3.062 -7.209 1.00 0.00 H new ATOM 0 HB3 ASP B 39 24.180 2.704 -5.507 1.00 0.00 H new ATOM 1589 N ARG B 40 22.225 0.863 -4.591 1.00 0.00 N ATOM 1590 CA ARG B 40 21.869 -0.154 -3.611 1.00 0.00 C ATOM 1591 C ARG B 40 20.573 0.241 -2.914 1.00 0.00 C ATOM 1592 O ARG B 40 20.387 1.403 -2.553 1.00 0.00 O ATOM 1593 CB ARG B 40 22.970 -0.328 -2.555 1.00 0.00 C ATOM 1594 CG ARG B 40 24.352 -0.630 -3.116 1.00 0.00 C ATOM 1595 CD ARG B 40 24.364 -1.889 -3.970 1.00 0.00 C ATOM 1596 NE ARG B 40 24.852 -1.606 -5.313 1.00 0.00 N ATOM 1597 CZ ARG B 40 24.827 -2.461 -6.331 1.00 0.00 C ATOM 1598 NH1 ARG B 40 24.415 -3.712 -6.150 1.00 0.00 N ATOM 1599 NH2 ARG B 40 25.213 -2.053 -7.533 1.00 0.00 N ATOM 0 H ARG B 40 22.361 1.793 -4.195 1.00 0.00 H new ATOM 0 HA ARG B 40 21.745 -1.099 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG B 40 23.027 0.582 -1.957 1.00 0.00 H new ATOM 0 HB3 ARG B 40 22.683 -1.135 -1.881 1.00 0.00 H new ATOM 0 HG2 ARG B 40 24.692 0.216 -3.714 1.00 0.00 H new ATOM 0 HG3 ARG B 40 25.059 -0.744 -2.294 1.00 0.00 H new ATOM 0 HD2 ARG B 40 24.995 -2.644 -3.502 1.00 0.00 H new ATOM 0 HD3 ARG B 40 23.358 -2.305 -4.025 1.00 0.00 H new ATOM 0 HE ARG B 40 25.243 -0.680 -5.486 1.00 0.00 H new ATOM 0 HH11 ARG B 40 24.115 -4.022 -5.225 1.00 0.00 H new ATOM 0 HH12 ARG B 40 24.399 -4.362 -6.936 1.00 0.00 H new ATOM 0 HH21 ARG B 40 25.525 -1.092 -7.669 1.00 0.00 H new ATOM 0 HH22 ARG B 40 25.198 -2.701 -8.321 1.00 0.00 H new ATOM 1613 N PHE B 41 19.674 -0.715 -2.733 1.00 0.00 N ATOM 1614 CA PHE B 41 18.411 -0.441 -2.063 1.00 0.00 C ATOM 1615 C PHE B 41 18.623 -0.395 -0.557 1.00 0.00 C ATOM 1616 O PHE B 41 19.527 -1.041 -0.030 1.00 0.00 O ATOM 1617 CB PHE B 41 17.360 -1.493 -2.421 1.00 0.00 C ATOM 1618 CG PHE B 41 16.795 -1.325 -3.803 1.00 0.00 C ATOM 1619 CD1 PHE B 41 15.961 -0.258 -4.098 1.00 0.00 C ATOM 1620 CD2 PHE B 41 17.097 -2.230 -4.808 1.00 0.00 C ATOM 1621 CE1 PHE B 41 15.438 -0.098 -5.367 1.00 0.00 C ATOM 1622 CE2 PHE B 41 16.578 -2.075 -6.080 1.00 0.00 C ATOM 1623 CZ PHE B 41 15.747 -1.007 -6.359 1.00 0.00 C ATOM 0 H PHE B 41 19.794 -1.681 -3.038 1.00 0.00 H new ATOM 0 HA PHE B 41 18.045 0.528 -2.402 1.00 0.00 H new ATOM 0 HB2 PHE B 41 17.805 -2.484 -2.336 1.00 0.00 H new ATOM 0 HB3 PHE B 41 16.547 -1.446 -1.696 1.00 0.00 H new ATOM 0 HD1 PHE B 41 15.717 0.457 -3.326 1.00 0.00 H new ATOM 0 HD2 PHE B 41 17.746 -3.067 -4.595 1.00 0.00 H new ATOM 0 HE1 PHE B 41 14.788 0.737 -5.583 1.00 0.00 H new ATOM 0 HE2 PHE B 41 16.822 -2.787 -6.854 1.00 0.00 H new ATOM 0 HZ PHE B 41 15.340 -0.883 -7.352 1.00 0.00 H new ATOM 1633 N THR B 42 17.797 0.374 0.125 1.00 0.00 N ATOM 1634 CA THR B 42 17.907 0.522 1.565 1.00 0.00 C ATOM 1635 C THR B 42 16.776 -0.195 2.298 1.00 0.00 C ATOM 1636 O THR B 42 17.004 -0.881 3.293 1.00 0.00 O ATOM 1637 CB THR B 42 17.908 2.015 1.935 1.00 0.00 C ATOM 1638 OG1 THR B 42 18.979 2.672 1.249 1.00 0.00 O ATOM 1639 CG2 THR B 42 18.056 2.223 3.433 1.00 0.00 C ATOM 0 H THR B 42 17.038 0.909 -0.297 1.00 0.00 H new ATOM 0 HA THR B 42 18.845 0.063 1.877 1.00 0.00 H new ATOM 0 HB THR B 42 16.951 2.440 1.634 1.00 0.00 H new ATOM 0 HG1 THR B 42 19.400 3.324 1.848 1.00 0.00 H new ATOM 0 HG21 THR B 42 18.052 3.290 3.654 1.00 0.00 H new ATOM 0 HG22 THR B 42 17.226 1.742 3.951 1.00 0.00 H new ATOM 0 HG23 THR B 42 18.996 1.786 3.770 1.00 0.00 H new ATOM 1647 N ILE B 43 15.561 -0.047 1.801 1.00 0.00 N ATOM 1648 CA ILE B 43 14.407 -0.671 2.428 1.00 0.00 C ATOM 1649 C ILE B 43 13.683 -1.580 1.444 1.00 0.00 C ATOM 1650 O ILE B 43 13.299 -1.145 0.364 1.00 0.00 O ATOM 1651 CB ILE B 43 13.437 0.404 2.978 1.00 0.00 C ATOM 1652 CG1 ILE B 43 13.837 0.802 4.397 1.00 0.00 C ATOM 1653 CG2 ILE B 43 11.990 -0.071 2.952 1.00 0.00 C ATOM 1654 CD1 ILE B 43 14.514 2.148 4.469 1.00 0.00 C ATOM 0 H ILE B 43 15.347 0.499 0.966 1.00 0.00 H new ATOM 0 HA ILE B 43 14.762 -1.278 3.261 1.00 0.00 H new ATOM 0 HB ILE B 43 13.509 1.275 2.327 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.948 0.816 5.028 1.00 0.00 H new ATOM 0 HG13 ILE B 43 14.506 0.044 4.805 1.00 0.00 H new ATOM 0 HG21 ILE B 43 11.343 0.713 3.346 1.00 0.00 H new ATOM 0 HG22 ILE B 43 11.700 -0.299 1.926 1.00 0.00 H new ATOM 0 HG23 ILE B 43 11.890 -0.967 3.565 1.00 0.00 H new ATOM 0 HD11 ILE B 43 14.772 2.370 5.504 1.00 0.00 H new ATOM 0 HD12 ILE B 43 15.421 2.132 3.864 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.839 2.916 4.090 1.00 0.00 H new ATOM 1666 N SER B 44 13.554 -2.849 1.798 1.00 0.00 N ATOM 1667 CA SER B 44 12.864 -3.814 0.955 1.00 0.00 C ATOM 1668 C SER B 44 11.799 -4.556 1.754 1.00 0.00 C ATOM 1669 O SER B 44 12.097 -5.153 2.787 1.00 0.00 O ATOM 1670 CB SER B 44 13.867 -4.798 0.351 1.00 0.00 C ATOM 1671 OG SER B 44 14.935 -4.109 -0.276 1.00 0.00 O ATOM 0 H SER B 44 13.920 -3.237 2.668 1.00 0.00 H new ATOM 0 HA SER B 44 12.370 -3.279 0.144 1.00 0.00 H new ATOM 0 HB2 SER B 44 14.258 -5.450 1.132 1.00 0.00 H new ATOM 0 HB3 SER B 44 13.364 -5.436 -0.375 1.00 0.00 H new ATOM 0 HG SER B 44 15.565 -4.757 -0.654 1.00 0.00 H new ATOM 1677 N HIS B 45 10.564 -4.511 1.275 1.00 0.00 N ATOM 1678 CA HIS B 45 9.458 -5.176 1.934 1.00 0.00 C ATOM 1679 C HIS B 45 8.599 -5.855 0.899 1.00 0.00 C ATOM 1680 O HIS B 45 8.368 -5.324 -0.189 1.00 0.00 O ATOM 1681 CB HIS B 45 8.618 -4.192 2.755 1.00 0.00 C ATOM 1682 CG HIS B 45 9.339 -3.644 3.945 1.00 0.00 C ATOM 1683 ND1 HIS B 45 9.800 -2.394 4.178 1.00 0.00 N flip ATOM 1684 CD2 HIS B 45 9.707 -4.396 5.037 1.00 0.00 C flip ATOM 1685 CE1 HIS B 45 10.460 -2.370 5.404 1.00 0.00 C flip ATOM 1686 NE2 HIS B 45 10.374 -3.596 5.880 1.00 0.00 N flip ATOM 0 H HIS B 45 10.305 -4.014 0.423 1.00 0.00 H new ATOM 0 HA HIS B 45 9.862 -5.917 2.624 1.00 0.00 H new ATOM 0 HB2 HIS B 45 8.310 -3.366 2.114 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.709 -4.692 3.089 1.00 0.00 H new ATOM 0 HD2 HIS B 45 9.496 -5.444 5.188 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.942 -1.523 5.868 1.00 0.00 H new ATOM 0 HE2 HIS B 45 10.764 -3.897 6.773 1.00 0.00 H new ATOM 1694 N MET B 46 8.151 -7.033 1.234 1.00 0.00 N ATOM 1695 CA MET B 46 7.324 -7.815 0.350 1.00 0.00 C ATOM 1696 C MET B 46 5.864 -7.519 0.636 1.00 0.00 C ATOM 1697 O MET B 46 5.462 -7.449 1.792 1.00 0.00 O ATOM 1698 CB MET B 46 7.619 -9.293 0.573 1.00 0.00 C ATOM 1699 CG MET B 46 8.971 -9.744 0.043 1.00 0.00 C ATOM 1700 SD MET B 46 9.113 -9.604 -1.747 1.00 0.00 S ATOM 1701 CE MET B 46 7.832 -10.732 -2.286 1.00 0.00 C ATOM 0 H MET B 46 8.348 -7.481 2.129 1.00 0.00 H new ATOM 0 HA MET B 46 7.537 -7.561 -0.688 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.571 -9.505 1.641 1.00 0.00 H new ATOM 0 HB3 MET B 46 6.838 -9.884 0.095 1.00 0.00 H new ATOM 0 HG2 MET B 46 9.755 -9.148 0.511 1.00 0.00 H new ATOM 0 HG3 MET B 46 9.141 -10.780 0.335 1.00 0.00 H new ATOM 0 HE1 MET B 46 7.978 -10.972 -3.339 1.00 0.00 H new ATOM 0 HE2 MET B 46 7.880 -11.647 -1.695 1.00 0.00 H new ATOM 0 HE3 MET B 46 6.856 -10.265 -2.153 1.00 0.00 H new ATOM 1711 N TYR B 47 5.063 -7.357 -0.407 1.00 0.00 N ATOM 1712 CA TYR B 47 3.635 -7.064 -0.229 1.00 0.00 C ATOM 1713 C TYR B 47 2.922 -8.210 0.496 1.00 0.00 C ATOM 1714 O TYR B 47 1.738 -8.120 0.808 1.00 0.00 O ATOM 1715 CB TYR B 47 2.946 -6.818 -1.574 1.00 0.00 C ATOM 1716 CG TYR B 47 3.579 -5.734 -2.410 1.00 0.00 C ATOM 1717 CD1 TYR B 47 4.086 -4.583 -1.828 1.00 0.00 C ATOM 1718 CD2 TYR B 47 3.672 -5.868 -3.788 1.00 0.00 C ATOM 1719 CE1 TYR B 47 4.668 -3.596 -2.594 1.00 0.00 C ATOM 1720 CE2 TYR B 47 4.254 -4.886 -4.559 1.00 0.00 C ATOM 1721 CZ TYR B 47 4.752 -3.752 -3.956 1.00 0.00 C ATOM 1722 OH TYR B 47 5.339 -2.773 -4.721 1.00 0.00 O ATOM 0 H TYR B 47 5.366 -7.421 -1.379 1.00 0.00 H new ATOM 0 HA TYR B 47 3.570 -6.160 0.376 1.00 0.00 H new ATOM 0 HB2 TYR B 47 2.947 -7.747 -2.144 1.00 0.00 H new ATOM 0 HB3 TYR B 47 1.903 -6.557 -1.392 1.00 0.00 H new ATOM 0 HD1 TYR B 47 4.024 -4.457 -0.757 1.00 0.00 H new ATOM 0 HD2 TYR B 47 3.282 -6.756 -4.263 1.00 0.00 H new ATOM 0 HE1 TYR B 47 5.056 -2.704 -2.125 1.00 0.00 H new ATOM 0 HE2 TYR B 47 4.320 -5.005 -5.630 1.00 0.00 H new ATOM 0 HH TYR B 47 5.715 -3.174 -5.532 1.00 0.00 H new ATOM 1732 N ALA B 48 3.655 -9.288 0.746 1.00 0.00 N ATOM 1733 CA ALA B 48 3.115 -10.454 1.421 1.00 0.00 C ATOM 1734 C ALA B 48 3.145 -10.287 2.936 1.00 0.00 C ATOM 1735 O ALA B 48 2.316 -10.863 3.641 1.00 0.00 O ATOM 1736 CB ALA B 48 3.892 -11.696 1.011 1.00 0.00 C ATOM 0 H ALA B 48 4.637 -9.375 0.486 1.00 0.00 H new ATOM 0 HA ALA B 48 2.073 -10.565 1.122 1.00 0.00 H new ATOM 0 HB1 ALA B 48 3.481 -12.567 1.521 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.812 -11.836 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.940 -11.576 1.284 1.00 0.00 H new ATOM 1742 N ASP B 49 4.093 -9.495 3.434 1.00 0.00 N ATOM 1743 CA ASP B 49 4.218 -9.280 4.872 1.00 0.00 C ATOM 1744 C ASP B 49 3.638 -7.937 5.279 1.00 0.00 C ATOM 1745 O ASP B 49 3.470 -7.666 6.467 1.00 0.00 O ATOM 1746 CB ASP B 49 5.684 -9.394 5.324 1.00 0.00 C ATOM 1747 CG ASP B 49 6.565 -8.253 4.837 1.00 0.00 C ATOM 1748 OD1 ASP B 49 6.623 -7.210 5.520 1.00 0.00 O ATOM 1749 OD2 ASP B 49 7.214 -8.409 3.778 1.00 0.00 O ATOM 0 H ASP B 49 4.779 -8.996 2.868 1.00 0.00 H new ATOM 0 HA ASP B 49 3.646 -10.062 5.371 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.718 -9.428 6.413 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.094 -10.337 4.963 1.00 0.00 H new ATOM 1754 N ILE B 50 3.319 -7.100 4.304 1.00 0.00 N ATOM 1755 CA ILE B 50 2.741 -5.804 4.604 1.00 0.00 C ATOM 1756 C ILE B 50 1.253 -5.958 4.880 1.00 0.00 C ATOM 1757 O ILE B 50 0.489 -6.386 4.016 1.00 0.00 O ATOM 1758 CB ILE B 50 2.955 -4.776 3.479 1.00 0.00 C ATOM 1759 CG1 ILE B 50 4.364 -4.898 2.907 1.00 0.00 C ATOM 1760 CG2 ILE B 50 2.728 -3.370 4.014 1.00 0.00 C ATOM 1761 CD1 ILE B 50 4.628 -3.964 1.751 1.00 0.00 C ATOM 0 H ILE B 50 3.449 -7.293 3.311 1.00 0.00 H new ATOM 0 HA ILE B 50 3.255 -5.423 5.486 1.00 0.00 H new ATOM 0 HB ILE B 50 2.239 -4.975 2.681 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.087 -4.698 3.698 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.527 -5.925 2.579 1.00 0.00 H new ATOM 0 HG21 ILE B 50 2.881 -2.647 3.213 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.709 -3.284 4.391 1.00 0.00 H new ATOM 0 HG23 ILE B 50 3.431 -3.170 4.822 1.00 0.00 H new ATOM 0 HD11 ILE B 50 5.648 -4.105 1.395 1.00 0.00 H new ATOM 0 HD12 ILE B 50 3.929 -4.178 0.943 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.498 -2.933 2.079 1.00 0.00 H new ATOM 1773 N LYS B 51 0.860 -5.612 6.092 1.00 0.00 N ATOM 1774 CA LYS B 51 -0.523 -5.718 6.519 1.00 0.00 C ATOM 1775 C LYS B 51 -1.387 -4.651 5.871 1.00 0.00 C ATOM 1776 O LYS B 51 -2.343 -4.956 5.162 1.00 0.00 O ATOM 1777 CB LYS B 51 -0.610 -5.573 8.039 1.00 0.00 C ATOM 1778 CG LYS B 51 -2.034 -5.483 8.550 1.00 0.00 C ATOM 1779 CD LYS B 51 -2.131 -4.631 9.799 1.00 0.00 C ATOM 1780 CE LYS B 51 -3.573 -4.507 10.251 1.00 0.00 C ATOM 1781 NZ LYS B 51 -4.212 -3.253 9.755 1.00 0.00 N ATOM 0 H LYS B 51 1.490 -5.250 6.808 1.00 0.00 H new ATOM 0 HA LYS B 51 -0.891 -6.697 6.212 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -0.116 -6.424 8.507 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -0.064 -4.680 8.344 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -2.673 -5.063 7.773 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -2.408 -6.485 8.763 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -1.532 -5.073 10.595 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -1.719 -3.641 9.603 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -4.139 -5.367 9.894 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -3.614 -4.528 11.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -5.168 -3.168 10.157 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -3.640 -2.434 10.045 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -4.274 -3.282 8.717 1.00 0.00 H new ATOM 1795 N CYS B 52 -1.041 -3.402 6.130 1.00 0.00 N ATOM 1796 CA CYS B 52 -1.795 -2.271 5.611 1.00 0.00 C ATOM 1797 C CYS B 52 -0.860 -1.096 5.386 1.00 0.00 C ATOM 1798 O CYS B 52 0.359 -1.242 5.455 1.00 0.00 O ATOM 1799 CB CYS B 52 -2.908 -1.887 6.591 1.00 0.00 C ATOM 1800 SG CYS B 52 -4.229 -3.119 6.733 1.00 0.00 S ATOM 0 H CYS B 52 -0.237 -3.143 6.701 1.00 0.00 H new ATOM 0 HA CYS B 52 -2.251 -2.548 4.661 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -2.470 -1.725 7.576 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -3.343 -0.939 6.276 1.00 0.00 H new ATOM 0 HG CYS B 52 -3.917 -4.172 6.037 1.00 0.00 H new ATOM 1806 N GLN B 53 -1.425 0.064 5.119 1.00 0.00 N ATOM 1807 CA GLN B 53 -0.628 1.252 4.882 1.00 0.00 C ATOM 1808 C GLN B 53 -1.170 2.414 5.692 1.00 0.00 C ATOM 1809 O GLN B 53 -2.121 2.260 6.441 1.00 0.00 O ATOM 1810 CB GLN B 53 -0.624 1.630 3.398 1.00 0.00 C ATOM 1811 CG GLN B 53 -0.608 0.448 2.447 1.00 0.00 C ATOM 1812 CD GLN B 53 -1.796 0.462 1.510 1.00 0.00 C ATOM 1813 OE1 GLN B 53 -1.771 1.126 0.480 1.00 0.00 O ATOM 1814 NE2 GLN B 53 -2.849 -0.268 1.861 1.00 0.00 N ATOM 0 H GLN B 53 -2.433 0.210 5.061 1.00 0.00 H new ATOM 0 HA GLN B 53 0.395 1.033 5.189 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -1.505 2.237 3.188 1.00 0.00 H new ATOM 0 HB3 GLN B 53 0.247 2.253 3.197 1.00 0.00 H new ATOM 0 HG2 GLN B 53 0.314 0.463 1.865 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.608 -0.479 3.020 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.830 -0.807 2.727 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.676 -0.290 1.265 1.00 0.00 H new ATOM 1823 N LYS B 54 -0.514 3.550 5.580 1.00 0.00 N ATOM 1824 CA LYS B 54 -0.937 4.774 6.236 1.00 0.00 C ATOM 1825 C LYS B 54 -0.550 5.946 5.346 1.00 0.00 C ATOM 1826 O LYS B 54 0.476 5.892 4.673 1.00 0.00 O ATOM 1827 CB LYS B 54 -0.328 4.903 7.631 1.00 0.00 C ATOM 1828 CG LYS B 54 -1.055 4.079 8.682 1.00 0.00 C ATOM 1829 CD LYS B 54 -1.050 4.757 10.039 1.00 0.00 C ATOM 1830 CE LYS B 54 -1.680 3.870 11.099 1.00 0.00 C ATOM 1831 NZ LYS B 54 -0.932 2.597 11.267 1.00 0.00 N ATOM 0 H LYS B 54 0.336 3.653 5.026 1.00 0.00 H new ATOM 0 HA LYS B 54 -2.018 4.761 6.377 1.00 0.00 H new ATOM 0 HB2 LYS B 54 0.716 4.593 7.594 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -0.339 5.951 7.929 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -2.084 3.912 8.364 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -0.584 3.099 8.764 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -0.026 4.998 10.324 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -1.594 5.700 9.979 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -1.709 4.403 12.049 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -2.712 3.652 10.824 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -0.868 2.363 12.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -1.429 1.833 10.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 0.025 2.703 10.875 1.00 0.00 H new ATOM 1845 N ILE B 55 -1.372 6.985 5.308 1.00 0.00 N ATOM 1846 CA ILE B 55 -1.102 8.129 4.436 1.00 0.00 C ATOM 1847 C ILE B 55 -1.478 9.459 5.052 1.00 0.00 C ATOM 1848 O ILE B 55 -2.134 9.512 6.075 1.00 0.00 O ATOM 1849 CB ILE B 55 -1.928 8.027 3.151 1.00 0.00 C ATOM 1850 CG1 ILE B 55 -3.395 7.784 3.488 1.00 0.00 C ATOM 1851 CG2 ILE B 55 -1.400 6.945 2.251 1.00 0.00 C ATOM 1852 CD1 ILE B 55 -4.293 7.877 2.286 1.00 0.00 C ATOM 0 H ILE B 55 -2.224 7.064 5.863 1.00 0.00 H new ATOM 0 HA ILE B 55 -0.028 8.095 4.255 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.845 8.972 2.614 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -3.501 6.797 3.939 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.717 8.511 4.233 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.006 6.896 1.347 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.367 7.166 1.984 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.444 5.987 2.769 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -5.325 7.695 2.588 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.213 8.872 1.848 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.993 7.131 1.549 1.00 0.00 H new ATOM 1864 N SER B 56 -1.075 10.528 4.377 1.00 0.00 N ATOM 1865 CA SER B 56 -1.405 11.879 4.786 1.00 0.00 C ATOM 1866 C SER B 56 -2.635 12.319 4.000 1.00 0.00 C ATOM 1867 O SER B 56 -2.535 12.736 2.846 1.00 0.00 O ATOM 1868 CB SER B 56 -0.230 12.809 4.513 1.00 0.00 C ATOM 1869 OG SER B 56 0.989 12.130 4.732 1.00 0.00 O ATOM 0 H SER B 56 -0.509 10.478 3.530 1.00 0.00 H new ATOM 0 HA SER B 56 -1.615 11.915 5.855 1.00 0.00 H new ATOM 0 HB2 SER B 56 -0.274 13.171 3.486 1.00 0.00 H new ATOM 0 HB3 SER B 56 -0.290 13.683 5.162 1.00 0.00 H new ATOM 0 HG SER B 56 1.002 11.766 5.642 1.00 0.00 H new ATOM 1875 N PRO B 57 -3.809 12.216 4.622 1.00 0.00 N ATOM 1876 CA PRO B 57 -5.092 12.529 3.998 1.00 0.00 C ATOM 1877 C PRO B 57 -5.363 14.027 3.912 1.00 0.00 C ATOM 1878 O PRO B 57 -4.777 14.814 4.659 1.00 0.00 O ATOM 1879 CB PRO B 57 -6.106 11.844 4.922 1.00 0.00 C ATOM 1880 CG PRO B 57 -5.288 11.091 5.911 1.00 0.00 C ATOM 1881 CD PRO B 57 -3.998 11.817 6.008 1.00 0.00 C ATOM 0 HA PRO B 57 -5.134 12.187 2.964 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -6.745 12.576 5.416 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -6.760 11.176 4.362 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -5.787 11.049 6.879 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -5.134 10.062 5.587 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -4.054 12.673 6.681 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -3.191 11.180 6.369 1.00 0.00 H new ATOM 1889 N GLU B 58 -6.252 14.404 2.993 1.00 0.00 N ATOM 1890 CA GLU B 58 -6.643 15.801 2.776 1.00 0.00 C ATOM 1891 C GLU B 58 -5.434 16.715 2.571 1.00 0.00 C ATOM 1892 O GLU B 58 -5.443 17.880 2.973 1.00 0.00 O ATOM 1893 CB GLU B 58 -7.502 16.300 3.944 1.00 0.00 C ATOM 1894 CG GLU B 58 -8.702 15.411 4.238 1.00 0.00 C ATOM 1895 CD GLU B 58 -9.370 14.891 2.977 1.00 0.00 C ATOM 1896 OE1 GLU B 58 -10.250 15.591 2.439 1.00 0.00 O ATOM 1897 OE2 GLU B 58 -9.002 13.784 2.524 1.00 0.00 O ATOM 0 H GLU B 58 -6.725 13.746 2.373 1.00 0.00 H new ATOM 0 HA GLU B 58 -7.231 15.836 1.859 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -6.882 16.367 4.838 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -7.852 17.308 3.722 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -8.382 14.567 4.849 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -9.429 15.972 4.825 1.00 0.00 H new ATOM 1904 N GLY B 59 -4.392 16.183 1.943 1.00 0.00 N ATOM 1905 CA GLY B 59 -3.196 16.966 1.689 1.00 0.00 C ATOM 1906 C GLY B 59 -2.289 17.060 2.901 1.00 0.00 C ATOM 1907 O GLY B 59 -1.120 16.671 2.833 1.00 0.00 O ATOM 0 H GLY B 59 -4.354 15.222 1.604 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -2.644 16.521 0.861 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -3.484 17.970 1.377 1.00 0.00 H new ATOM 1911 N LYS B 60 -2.836 17.571 4.006 1.00 0.00 N ATOM 1912 CA LYS B 60 -2.095 17.731 5.256 1.00 0.00 C ATOM 1913 C LYS B 60 -0.998 18.782 5.124 1.00 0.00 C ATOM 1914 O LYS B 60 -1.261 19.976 5.251 1.00 0.00 O ATOM 1915 CB LYS B 60 -1.518 16.392 5.720 1.00 0.00 C ATOM 1916 CG LYS B 60 -2.423 15.661 6.688 1.00 0.00 C ATOM 1917 CD LYS B 60 -1.741 14.432 7.246 1.00 0.00 C ATOM 1918 CE LYS B 60 -0.406 14.779 7.882 1.00 0.00 C ATOM 1919 NZ LYS B 60 -0.535 15.859 8.897 1.00 0.00 N ATOM 0 H LYS B 60 -3.805 17.885 4.058 1.00 0.00 H new ATOM 0 HA LYS B 60 -2.795 18.082 6.014 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -1.339 15.759 4.851 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -0.552 16.564 6.194 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -2.703 16.328 7.504 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -3.344 15.372 6.182 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -2.387 13.960 7.987 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -1.588 13.705 6.448 1.00 0.00 H new ATOM 0 HE2 LYS B 60 0.014 13.889 8.351 1.00 0.00 H new ATOM 0 HE3 LYS B 60 0.294 15.092 7.107 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 0.123 15.678 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -0.309 16.775 8.460 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -1.509 15.880 9.260 1.00 0.00 H new ATOM 1933 N ALA B 61 0.215 18.327 4.847 1.00 0.00 N ATOM 1934 CA ALA B 61 1.373 19.202 4.707 1.00 0.00 C ATOM 1935 C ALA B 61 2.590 18.356 4.402 1.00 0.00 C ATOM 1936 O ALA B 61 3.294 18.572 3.420 1.00 0.00 O ATOM 1937 CB ALA B 61 1.600 20.001 5.978 1.00 0.00 C ATOM 0 H ALA B 61 0.426 17.338 4.712 1.00 0.00 H new ATOM 0 HA ALA B 61 1.196 19.906 3.894 1.00 0.00 H new ATOM 0 HB1 ALA B 61 2.469 20.647 5.851 1.00 0.00 H new ATOM 0 HB2 ALA B 61 0.721 20.611 6.186 1.00 0.00 H new ATOM 0 HB3 ALA B 61 1.773 19.319 6.810 1.00 0.00 H new ATOM 1943 N LYS B 62 2.823 17.384 5.265 1.00 0.00 N ATOM 1944 CA LYS B 62 3.914 16.457 5.097 1.00 0.00 C ATOM 1945 C LYS B 62 3.337 15.230 4.430 1.00 0.00 C ATOM 1946 O LYS B 62 2.538 14.516 5.031 1.00 0.00 O ATOM 1947 CB LYS B 62 4.539 16.097 6.448 1.00 0.00 C ATOM 1948 CG LYS B 62 6.044 15.922 6.389 1.00 0.00 C ATOM 1949 CD LYS B 62 6.743 16.572 7.572 1.00 0.00 C ATOM 1950 CE LYS B 62 6.933 15.593 8.720 1.00 0.00 C ATOM 1951 NZ LYS B 62 7.956 14.559 8.413 1.00 0.00 N ATOM 0 H LYS B 62 2.259 17.220 6.099 1.00 0.00 H new ATOM 0 HA LYS B 62 4.707 16.896 4.492 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.300 16.878 7.170 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.088 15.175 6.814 1.00 0.00 H new ATOM 0 HG2 LYS B 62 6.284 14.859 6.366 1.00 0.00 H new ATOM 0 HG3 LYS B 62 6.423 16.354 5.463 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.713 16.955 7.256 1.00 0.00 H new ATOM 0 HD3 LYS B 62 6.159 17.426 7.915 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.228 16.139 9.616 1.00 0.00 H new ATOM 0 HE3 LYS B 62 5.983 15.107 8.942 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 8.225 14.066 9.288 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 7.565 13.874 7.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 8.795 15.013 8.000 1.00 0.00 H new ATOM 1965 N ILE B 63 3.704 15.011 3.187 1.00 0.00 N ATOM 1966 CA ILE B 63 3.178 13.894 2.437 1.00 0.00 C ATOM 1967 C ILE B 63 3.935 12.628 2.804 1.00 0.00 C ATOM 1968 O ILE B 63 4.926 12.300 2.189 1.00 0.00 O ATOM 1969 CB ILE B 63 3.279 14.163 0.924 1.00 0.00 C ATOM 1970 CG1 ILE B 63 2.397 15.354 0.541 1.00 0.00 C ATOM 1971 CG2 ILE B 63 2.860 12.935 0.133 1.00 0.00 C ATOM 1972 CD1 ILE B 63 2.987 16.720 0.827 1.00 0.00 C ATOM 0 H ILE B 63 4.366 15.593 2.674 1.00 0.00 H new ATOM 0 HA ILE B 63 2.126 13.764 2.689 1.00 0.00 H new ATOM 0 HB ILE B 63 4.317 14.395 0.685 1.00 0.00 H new ATOM 0 HG12 ILE B 63 2.172 15.290 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE B 63 1.449 15.268 1.073 1.00 0.00 H new ATOM 0 HG21 ILE B 63 2.938 13.145 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE B 63 3.512 12.099 0.387 1.00 0.00 H new ATOM 0 HG23 ILE B 63 1.829 12.679 0.378 1.00 0.00 H new ATOM 0 HD11 ILE B 63 2.283 17.492 0.519 1.00 0.00 H new ATOM 0 HD12 ILE B 63 3.185 16.815 1.895 1.00 0.00 H new ATOM 0 HD13 ILE B 63 3.919 16.837 0.274 1.00 0.00 H new ATOM 1984 N GLN B 64 3.479 11.920 3.816 1.00 0.00 N ATOM 1985 CA GLN B 64 4.176 10.722 4.245 1.00 0.00 C ATOM 1986 C GLN B 64 3.270 9.491 4.278 1.00 0.00 C ATOM 1987 O GLN B 64 2.111 9.550 4.689 1.00 0.00 O ATOM 1988 CB GLN B 64 4.838 10.954 5.607 1.00 0.00 C ATOM 1989 CG GLN B 64 4.272 12.139 6.376 1.00 0.00 C ATOM 1990 CD GLN B 64 5.192 12.605 7.483 1.00 0.00 C ATOM 1991 OE1 GLN B 64 6.413 12.603 7.330 1.00 0.00 O ATOM 1992 NE2 GLN B 64 4.619 13.008 8.607 1.00 0.00 N ATOM 0 H GLN B 64 2.641 12.147 4.351 1.00 0.00 H new ATOM 0 HA GLN B 64 4.948 10.515 3.504 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.726 10.054 6.212 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.907 11.107 5.459 1.00 0.00 H new ATOM 0 HG2 GLN B 64 4.093 12.963 5.686 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.307 11.864 6.802 1.00 0.00 H new ATOM 0 HE21 GLN B 64 3.603 12.995 8.695 1.00 0.00 H new ATOM 0 HE22 GLN B 64 5.194 13.332 9.385 1.00 0.00 H new ATOM 2001 N LEU B 65 3.826 8.388 3.805 1.00 0.00 N ATOM 2002 CA LEU B 65 3.147 7.099 3.750 1.00 0.00 C ATOM 2003 C LEU B 65 3.730 6.194 4.827 1.00 0.00 C ATOM 2004 O LEU B 65 4.817 6.456 5.313 1.00 0.00 O ATOM 2005 CB LEU B 65 3.375 6.441 2.387 1.00 0.00 C ATOM 2006 CG LEU B 65 2.539 5.192 2.107 1.00 0.00 C ATOM 2007 CD1 LEU B 65 1.235 5.548 1.402 1.00 0.00 C ATOM 2008 CD2 LEU B 65 3.353 4.184 1.314 1.00 0.00 C ATOM 0 H LEU B 65 4.779 8.360 3.441 1.00 0.00 H new ATOM 0 HA LEU B 65 2.079 7.249 3.906 1.00 0.00 H new ATOM 0 HB2 LEU B 65 3.168 7.176 1.610 1.00 0.00 H new ATOM 0 HB3 LEU B 65 4.429 6.177 2.303 1.00 0.00 H new ATOM 0 HG LEU B 65 2.269 4.733 3.058 1.00 0.00 H new ATOM 0 HD11 LEU B 65 0.662 4.640 1.216 1.00 0.00 H new ATOM 0 HD12 LEU B 65 0.653 6.222 2.031 1.00 0.00 H new ATOM 0 HD13 LEU B 65 1.456 6.038 0.454 1.00 0.00 H new ATOM 0 HD21 LEU B 65 2.747 3.299 1.121 1.00 0.00 H new ATOM 0 HD22 LEU B 65 3.659 4.628 0.367 1.00 0.00 H new ATOM 0 HD23 LEU B 65 4.237 3.901 1.885 1.00 0.00 H new ATOM 2020 N GLN B 66 3.009 5.158 5.216 1.00 0.00 N ATOM 2021 CA GLN B 66 3.510 4.226 6.217 1.00 0.00 C ATOM 2022 C GLN B 66 3.131 2.793 5.861 1.00 0.00 C ATOM 2023 O GLN B 66 1.961 2.480 5.672 1.00 0.00 O ATOM 2024 CB GLN B 66 2.990 4.595 7.601 1.00 0.00 C ATOM 2025 CG GLN B 66 2.875 3.420 8.566 1.00 0.00 C ATOM 2026 CD GLN B 66 2.438 3.844 9.954 1.00 0.00 C ATOM 2027 OE1 GLN B 66 1.699 3.127 10.634 1.00 0.00 O ATOM 2028 NE2 GLN B 66 2.895 5.005 10.383 1.00 0.00 N ATOM 0 H GLN B 66 2.079 4.939 4.858 1.00 0.00 H new ATOM 0 HA GLN B 66 4.598 4.294 6.232 1.00 0.00 H new ATOM 0 HB2 GLN B 66 3.652 5.343 8.037 1.00 0.00 H new ATOM 0 HB3 GLN B 66 2.010 5.060 7.495 1.00 0.00 H new ATOM 0 HG2 GLN B 66 2.161 2.698 8.169 1.00 0.00 H new ATOM 0 HG3 GLN B 66 3.838 2.913 8.632 1.00 0.00 H new ATOM 0 HE21 GLN B 66 3.504 5.565 9.787 1.00 0.00 H new ATOM 0 HE22 GLN B 66 2.639 5.342 11.311 1.00 0.00 H new ATOM 2037 N LEU B 67 4.129 1.936 5.737 1.00 0.00 N ATOM 2038 CA LEU B 67 3.901 0.535 5.428 1.00 0.00 C ATOM 2039 C LEU B 67 3.731 -0.248 6.713 1.00 0.00 C ATOM 2040 O LEU B 67 4.708 -0.602 7.360 1.00 0.00 O ATOM 2041 CB LEU B 67 5.074 -0.055 4.650 1.00 0.00 C ATOM 2042 CG LEU B 67 5.300 0.510 3.255 1.00 0.00 C ATOM 2043 CD1 LEU B 67 6.515 -0.149 2.630 1.00 0.00 C ATOM 2044 CD2 LEU B 67 4.068 0.299 2.388 1.00 0.00 C ATOM 0 H LEU B 67 5.111 2.188 5.846 1.00 0.00 H new ATOM 0 HA LEU B 67 3.001 0.468 4.817 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.983 0.094 5.233 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.923 -1.131 4.565 1.00 0.00 H new ATOM 0 HG LEU B 67 5.479 1.583 3.329 1.00 0.00 H new ATOM 0 HD11 LEU B 67 6.675 0.257 1.631 1.00 0.00 H new ATOM 0 HD12 LEU B 67 7.392 0.047 3.246 1.00 0.00 H new ATOM 0 HD13 LEU B 67 6.351 -1.225 2.563 1.00 0.00 H new ATOM 0 HD21 LEU B 67 4.248 0.709 1.394 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.858 -0.768 2.308 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.214 0.804 2.840 1.00 0.00 H new ATOM 2056 N VAL B 68 2.499 -0.509 7.088 1.00 0.00 N ATOM 2057 CA VAL B 68 2.231 -1.253 8.301 1.00 0.00 C ATOM 2058 C VAL B 68 2.332 -2.737 8.019 1.00 0.00 C ATOM 2059 O VAL B 68 1.401 -3.338 7.497 1.00 0.00 O ATOM 2060 CB VAL B 68 0.839 -0.932 8.870 1.00 0.00 C ATOM 2061 CG1 VAL B 68 0.721 -1.452 10.287 1.00 0.00 C ATOM 2062 CG2 VAL B 68 0.584 0.561 8.822 1.00 0.00 C ATOM 0 H VAL B 68 1.668 -0.219 6.573 1.00 0.00 H new ATOM 0 HA VAL B 68 2.973 -0.960 9.044 1.00 0.00 H new ATOM 0 HB VAL B 68 0.085 -1.428 8.259 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -0.269 -1.219 10.679 1.00 0.00 H new ATOM 0 HG12 VAL B 68 0.868 -2.532 10.292 1.00 0.00 H new ATOM 0 HG13 VAL B 68 1.479 -0.980 10.912 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -0.405 0.774 9.228 1.00 0.00 H new ATOM 0 HG22 VAL B 68 1.339 1.078 9.414 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.635 0.906 7.789 1.00 0.00 H new ATOM 2072 N LEU B 69 3.466 -3.324 8.355 1.00 0.00 N ATOM 2073 CA LEU B 69 3.686 -4.734 8.101 1.00 0.00 C ATOM 2074 C LEU B 69 3.099 -5.593 9.216 1.00 0.00 C ATOM 2075 O LEU B 69 2.862 -5.113 10.326 1.00 0.00 O ATOM 2076 CB LEU B 69 5.174 -5.030 7.968 1.00 0.00 C ATOM 2077 CG LEU B 69 6.036 -3.884 7.432 1.00 0.00 C ATOM 2078 CD1 LEU B 69 7.494 -4.175 7.686 1.00 0.00 C ATOM 2079 CD2 LEU B 69 5.808 -3.657 5.953 1.00 0.00 C ATOM 0 H LEU B 69 4.247 -2.846 8.804 1.00 0.00 H new ATOM 0 HA LEU B 69 3.183 -4.980 7.166 1.00 0.00 H new ATOM 0 HB2 LEU B 69 5.556 -5.320 8.947 1.00 0.00 H new ATOM 0 HB3 LEU B 69 5.297 -5.890 7.310 1.00 0.00 H new ATOM 0 HG LEU B 69 5.746 -2.975 7.959 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.101 -3.355 7.302 1.00 0.00 H new ATOM 0 HD12 LEU B 69 7.663 -4.280 8.758 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.773 -5.100 7.182 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.437 -2.836 5.610 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.061 -4.563 5.403 1.00 0.00 H new ATOM 0 HD23 LEU B 69 4.761 -3.408 5.780 1.00 0.00 H new ATOM 2091 N HIS B 70 2.883 -6.869 8.916 1.00 0.00 N ATOM 2092 CA HIS B 70 2.330 -7.816 9.885 1.00 0.00 C ATOM 2093 C HIS B 70 3.349 -8.137 10.969 1.00 0.00 C ATOM 2094 O HIS B 70 2.995 -8.606 12.047 1.00 0.00 O ATOM 2095 CB HIS B 70 1.913 -9.120 9.196 1.00 0.00 C ATOM 2096 CG HIS B 70 0.617 -9.030 8.459 1.00 0.00 C ATOM 2097 ND1 HIS B 70 -0.603 -8.852 9.074 1.00 0.00 N ATOM 2098 CD2 HIS B 70 0.368 -9.075 7.127 1.00 0.00 C ATOM 2099 CE1 HIS B 70 -1.540 -8.787 8.120 1.00 0.00 C ATOM 2100 NE2 HIS B 70 -1.002 -8.919 6.918 1.00 0.00 N ATOM 0 H HIS B 70 3.083 -7.276 8.003 1.00 0.00 H new ATOM 0 HA HIS B 70 1.455 -7.348 10.336 1.00 0.00 H new ATOM 0 HB2 HIS B 70 2.696 -9.417 8.498 1.00 0.00 H new ATOM 0 HB3 HIS B 70 1.839 -9.908 9.946 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -0.764 -8.782 10.079 1.00 0.00 H new ATOM 0 HD2 HIS B 70 1.110 -9.210 6.354 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -2.594 -8.646 8.306 1.00 0.00 H new ATOM 2108 N ALA B 71 4.615 -7.882 10.668 1.00 0.00 N ATOM 2109 CA ALA B 71 5.699 -8.157 11.600 1.00 0.00 C ATOM 2110 C ALA B 71 5.664 -7.234 12.813 1.00 0.00 C ATOM 2111 O ALA B 71 6.197 -7.572 13.867 1.00 0.00 O ATOM 2112 CB ALA B 71 7.039 -8.041 10.889 1.00 0.00 C ATOM 0 H ALA B 71 4.917 -7.482 9.780 1.00 0.00 H new ATOM 0 HA ALA B 71 5.567 -9.176 11.965 1.00 0.00 H new ATOM 0 HB1 ALA B 71 7.844 -8.248 11.594 1.00 0.00 H new ATOM 0 HB2 ALA B 71 7.080 -8.759 10.070 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.155 -7.032 10.493 1.00 0.00 H new ATOM 2118 N GLY B 72 5.038 -6.074 12.668 1.00 0.00 N ATOM 2119 CA GLY B 72 4.980 -5.139 13.767 1.00 0.00 C ATOM 2120 C GLY B 72 5.953 -4.025 13.521 1.00 0.00 C ATOM 2121 O GLY B 72 6.548 -3.469 14.442 1.00 0.00 O ATOM 0 H GLY B 72 4.573 -5.768 11.814 1.00 0.00 H new ATOM 0 HA2 GLY B 72 3.971 -4.740 13.867 1.00 0.00 H new ATOM 0 HA3 GLY B 72 5.217 -5.645 14.703 1.00 0.00 H new ATOM 2125 N ASP B 73 6.088 -3.705 12.250 1.00 0.00 N ATOM 2126 CA ASP B 73 6.986 -2.686 11.788 1.00 0.00 C ATOM 2127 C ASP B 73 6.233 -1.857 10.796 1.00 0.00 C ATOM 2128 O ASP B 73 5.414 -2.383 10.039 1.00 0.00 O ATOM 2129 CB ASP B 73 8.213 -3.295 11.105 1.00 0.00 C ATOM 2130 CG ASP B 73 9.256 -2.250 10.753 1.00 0.00 C ATOM 2131 OD1 ASP B 73 9.185 -1.692 9.637 1.00 0.00 O ATOM 2132 OD2 ASP B 73 10.140 -1.986 11.592 1.00 0.00 O ATOM 0 H ASP B 73 5.564 -4.159 11.502 1.00 0.00 H new ATOM 0 HA ASP B 73 7.337 -2.092 12.632 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.658 -4.042 11.762 1.00 0.00 H new ATOM 0 HB3 ASP B 73 7.901 -3.813 10.198 1.00 0.00 H new ATOM 2137 N THR B 74 6.454 -0.583 10.819 1.00 0.00 N ATOM 2138 CA THR B 74 5.784 0.281 9.898 1.00 0.00 C ATOM 2139 C THR B 74 6.808 1.177 9.198 1.00 0.00 C ATOM 2140 O THR B 74 7.502 1.964 9.844 1.00 0.00 O ATOM 2141 CB THR B 74 4.730 1.123 10.625 1.00 0.00 C ATOM 2142 OG1 THR B 74 5.317 1.796 11.746 1.00 0.00 O ATOM 2143 CG2 THR B 74 3.576 0.253 11.100 1.00 0.00 C ATOM 0 H THR B 74 7.092 -0.116 11.464 1.00 0.00 H new ATOM 0 HA THR B 74 5.273 -0.322 9.147 1.00 0.00 H new ATOM 0 HB THR B 74 4.346 1.862 9.922 1.00 0.00 H new ATOM 0 HG1 THR B 74 6.257 1.996 11.552 1.00 0.00 H new ATOM 0 HG21 THR B 74 2.840 0.873 11.613 1.00 0.00 H new ATOM 0 HG22 THR B 74 3.108 -0.231 10.243 1.00 0.00 H new ATOM 0 HG23 THR B 74 3.951 -0.507 11.785 1.00 0.00 H new ATOM 2151 N THR B 75 6.895 1.054 7.884 1.00 0.00 N ATOM 2152 CA THR B 75 7.845 1.829 7.095 1.00 0.00 C ATOM 2153 C THR B 75 7.236 3.137 6.607 1.00 0.00 C ATOM 2154 O THR B 75 6.457 3.147 5.656 1.00 0.00 O ATOM 2155 CB THR B 75 8.304 1.013 5.880 1.00 0.00 C ATOM 2156 OG1 THR B 75 8.276 -0.383 6.198 1.00 0.00 O ATOM 2157 CG2 THR B 75 9.699 1.424 5.445 1.00 0.00 C ATOM 0 H THR B 75 6.315 0.420 7.335 1.00 0.00 H new ATOM 0 HA THR B 75 8.693 2.060 7.739 1.00 0.00 H new ATOM 0 HB THR B 75 7.622 1.209 5.053 1.00 0.00 H new ATOM 0 HG1 THR B 75 7.937 -0.887 5.429 1.00 0.00 H new ATOM 0 HG21 THR B 75 10.001 0.830 4.582 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.700 2.481 5.177 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.399 1.257 6.263 1.00 0.00 H new ATOM 2165 N ASN B 76 7.597 4.239 7.240 1.00 0.00 N ATOM 2166 CA ASN B 76 7.051 5.532 6.850 1.00 0.00 C ATOM 2167 C ASN B 76 7.966 6.216 5.833 1.00 0.00 C ATOM 2168 O ASN B 76 9.185 6.247 5.996 1.00 0.00 O ATOM 2169 CB ASN B 76 6.820 6.447 8.063 1.00 0.00 C ATOM 2170 CG ASN B 76 6.014 5.811 9.188 1.00 0.00 C ATOM 2171 OD1 ASN B 76 5.887 4.592 9.289 1.00 0.00 O ATOM 2172 ND2 ASN B 76 5.465 6.651 10.049 1.00 0.00 N ATOM 0 H ASN B 76 8.257 4.268 8.017 1.00 0.00 H new ATOM 0 HA ASN B 76 6.081 5.349 6.388 1.00 0.00 H new ATOM 0 HB2 ASN B 76 7.787 6.758 8.457 1.00 0.00 H new ATOM 0 HB3 ASN B 76 6.306 7.349 7.730 1.00 0.00 H new ATOM 0 HD21 ASN B 76 4.914 6.294 10.830 1.00 0.00 H new ATOM 0 HD22 ASN B 76 5.592 7.656 9.933 1.00 0.00 H new ATOM 2179 N PHE B 77 7.358 6.755 4.783 1.00 0.00 N ATOM 2180 CA PHE B 77 8.081 7.431 3.712 1.00 0.00 C ATOM 2181 C PHE B 77 7.558 8.852 3.521 1.00 0.00 C ATOM 2182 O PHE B 77 6.370 9.047 3.286 1.00 0.00 O ATOM 2183 CB PHE B 77 7.916 6.661 2.399 1.00 0.00 C ATOM 2184 CG PHE B 77 8.610 5.330 2.375 1.00 0.00 C ATOM 2185 CD1 PHE B 77 9.968 5.244 2.614 1.00 0.00 C ATOM 2186 CD2 PHE B 77 7.905 4.169 2.102 1.00 0.00 C ATOM 2187 CE1 PHE B 77 10.614 4.025 2.581 1.00 0.00 C ATOM 2188 CE2 PHE B 77 8.546 2.947 2.069 1.00 0.00 C ATOM 2189 CZ PHE B 77 9.903 2.876 2.308 1.00 0.00 C ATOM 0 H PHE B 77 6.347 6.736 4.650 1.00 0.00 H new ATOM 0 HA PHE B 77 9.135 7.470 3.989 1.00 0.00 H new ATOM 0 HB2 PHE B 77 6.853 6.507 2.212 1.00 0.00 H new ATOM 0 HB3 PHE B 77 8.298 7.272 1.582 1.00 0.00 H new ATOM 0 HD1 PHE B 77 10.530 6.141 2.829 1.00 0.00 H new ATOM 0 HD2 PHE B 77 6.843 4.221 1.913 1.00 0.00 H new ATOM 0 HE1 PHE B 77 11.676 3.971 2.769 1.00 0.00 H new ATOM 0 HE2 PHE B 77 7.986 2.048 1.856 1.00 0.00 H new ATOM 0 HZ PHE B 77 10.408 1.921 2.281 1.00 0.00 H new ATOM 2199 N HIS B 78 8.442 9.834 3.604 1.00 0.00 N ATOM 2200 CA HIS B 78 8.063 11.234 3.435 1.00 0.00 C ATOM 2201 C HIS B 78 8.284 11.657 1.980 1.00 0.00 C ATOM 2202 O HIS B 78 9.414 11.806 1.525 1.00 0.00 O ATOM 2203 CB HIS B 78 8.867 12.121 4.397 1.00 0.00 C ATOM 2204 CG HIS B 78 8.575 13.595 4.291 1.00 0.00 C ATOM 2205 ND1 HIS B 78 9.456 14.572 4.700 1.00 0.00 N ATOM 2206 CD2 HIS B 78 7.496 14.256 3.784 1.00 0.00 C ATOM 2207 CE1 HIS B 78 8.912 15.762 4.429 1.00 0.00 C ATOM 2208 NE2 HIS B 78 7.723 15.626 3.870 1.00 0.00 N ATOM 0 H HIS B 78 9.435 9.689 3.789 1.00 0.00 H new ATOM 0 HA HIS B 78 7.006 11.354 3.672 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.668 11.798 5.419 1.00 0.00 H new ATOM 0 HB3 HIS B 78 9.930 11.961 4.214 1.00 0.00 H new ATOM 0 HD2 HIS B 78 6.608 13.791 3.381 1.00 0.00 H new ATOM 0 HE1 HIS B 78 9.383 16.711 4.639 1.00 0.00 H new ATOM 0 HE2 HIS B 78 7.099 16.373 3.564 1.00 0.00 H new ATOM 2216 N PHE B 79 7.193 11.847 1.266 1.00 0.00 N ATOM 2217 CA PHE B 79 7.230 12.239 -0.135 1.00 0.00 C ATOM 2218 C PHE B 79 7.257 13.752 -0.253 1.00 0.00 C ATOM 2219 O PHE B 79 6.236 14.420 -0.090 1.00 0.00 O ATOM 2220 CB PHE B 79 6.004 11.717 -0.885 1.00 0.00 C ATOM 2221 CG PHE B 79 5.868 10.223 -0.931 1.00 0.00 C ATOM 2222 CD1 PHE B 79 5.578 9.497 0.211 1.00 0.00 C ATOM 2223 CD2 PHE B 79 5.999 9.551 -2.131 1.00 0.00 C ATOM 2224 CE1 PHE B 79 5.427 8.127 0.156 1.00 0.00 C ATOM 2225 CE2 PHE B 79 5.842 8.182 -2.193 1.00 0.00 C ATOM 2226 CZ PHE B 79 5.556 7.470 -1.049 1.00 0.00 C ATOM 0 H PHE B 79 6.250 11.734 1.639 1.00 0.00 H new ATOM 0 HA PHE B 79 8.131 11.809 -0.574 1.00 0.00 H new ATOM 0 HB2 PHE B 79 5.110 12.133 -0.420 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.036 12.094 -1.907 1.00 0.00 H new ATOM 0 HD1 PHE B 79 5.469 10.009 1.156 1.00 0.00 H new ATOM 0 HD2 PHE B 79 6.227 10.104 -3.030 1.00 0.00 H new ATOM 0 HE1 PHE B 79 5.208 7.570 1.055 1.00 0.00 H new ATOM 0 HE2 PHE B 79 5.943 7.669 -3.138 1.00 0.00 H new ATOM 0 HZ PHE B 79 5.433 6.398 -1.096 1.00 0.00 H new ATOM 2236 N SER B 80 8.420 14.289 -0.525 1.00 0.00 N ATOM 2237 CA SER B 80 8.578 15.719 -0.674 1.00 0.00 C ATOM 2238 C SER B 80 8.984 16.061 -2.100 1.00 0.00 C ATOM 2239 O SER B 80 10.120 16.455 -2.346 1.00 0.00 O ATOM 2240 CB SER B 80 9.629 16.232 0.307 1.00 0.00 C ATOM 2241 OG SER B 80 9.659 15.435 1.476 1.00 0.00 O ATOM 0 H SER B 80 9.280 13.754 -0.649 1.00 0.00 H new ATOM 0 HA SER B 80 7.625 16.201 -0.458 1.00 0.00 H new ATOM 0 HB2 SER B 80 10.610 16.225 -0.168 1.00 0.00 H new ATOM 0 HB3 SER B 80 9.411 17.266 0.573 1.00 0.00 H new ATOM 0 HG SER B 80 8.761 15.391 1.865 1.00 0.00 H new ATOM 2247 N ASN B 81 8.069 15.875 -3.046 1.00 0.00 N ATOM 2248 CA ASN B 81 8.349 16.197 -4.437 1.00 0.00 C ATOM 2249 C ASN B 81 7.540 17.417 -4.845 1.00 0.00 C ATOM 2250 O ASN B 81 7.255 17.636 -6.023 1.00 0.00 O ATOM 2251 CB ASN B 81 8.037 15.011 -5.349 1.00 0.00 C ATOM 2252 CG ASN B 81 9.003 14.917 -6.516 1.00 0.00 C ATOM 2253 OD1 ASN B 81 9.909 15.737 -6.662 1.00 0.00 O ATOM 2254 ND2 ASN B 81 8.821 13.915 -7.354 1.00 0.00 N ATOM 0 H ASN B 81 7.134 15.505 -2.875 1.00 0.00 H new ATOM 0 HA ASN B 81 9.411 16.419 -4.541 1.00 0.00 H new ATOM 0 HB2 ASN B 81 8.078 14.089 -4.770 1.00 0.00 H new ATOM 0 HB3 ASN B 81 7.019 15.104 -5.728 1.00 0.00 H new ATOM 0 HD21 ASN B 81 9.442 13.801 -8.155 1.00 0.00 H new ATOM 0 HD22 ASN B 81 8.059 13.254 -7.201 1.00 0.00 H new ATOM 2261 N GLU B 82 7.173 18.194 -3.827 1.00 0.00 N ATOM 2262 CA GLU B 82 6.405 19.428 -3.975 1.00 0.00 C ATOM 2263 C GLU B 82 5.160 19.251 -4.846 1.00 0.00 C ATOM 2264 O GLU B 82 4.097 18.857 -4.357 1.00 0.00 O ATOM 2265 CB GLU B 82 7.294 20.547 -4.536 1.00 0.00 C ATOM 2266 CG GLU B 82 8.322 21.077 -3.542 1.00 0.00 C ATOM 2267 CD GLU B 82 9.470 20.113 -3.305 1.00 0.00 C ATOM 2268 OE1 GLU B 82 10.465 20.166 -4.059 1.00 0.00 O ATOM 2269 OE2 GLU B 82 9.382 19.292 -2.364 1.00 0.00 O ATOM 0 H GLU B 82 7.406 17.979 -2.858 1.00 0.00 H new ATOM 0 HA GLU B 82 6.058 19.705 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU B 82 7.815 20.176 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU B 82 6.660 21.372 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU B 82 8.719 22.023 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU B 82 7.828 21.285 -2.593 1.00 0.00 H new ATOM 2276 N SER B 83 5.315 19.519 -6.135 1.00 0.00 N ATOM 2277 CA SER B 83 4.231 19.438 -7.104 1.00 0.00 C ATOM 2278 C SER B 83 3.498 18.094 -7.071 1.00 0.00 C ATOM 2279 O SER B 83 2.267 18.047 -7.191 1.00 0.00 O ATOM 2280 CB SER B 83 4.796 19.690 -8.500 1.00 0.00 C ATOM 2281 OG SER B 83 6.066 20.320 -8.418 1.00 0.00 O ATOM 0 H SER B 83 6.207 19.802 -6.542 1.00 0.00 H new ATOM 0 HA SER B 83 3.495 20.198 -6.841 1.00 0.00 H new ATOM 0 HB2 SER B 83 4.886 18.746 -9.038 1.00 0.00 H new ATOM 0 HB3 SER B 83 4.109 20.317 -9.069 1.00 0.00 H new ATOM 0 HG SER B 83 6.414 20.473 -9.321 1.00 0.00 H new ATOM 2287 N THR B 84 4.231 17.003 -6.903 1.00 0.00 N ATOM 2288 CA THR B 84 3.607 15.690 -6.888 1.00 0.00 C ATOM 2289 C THR B 84 3.745 14.981 -5.558 1.00 0.00 C ATOM 2290 O THR B 84 3.413 13.806 -5.471 1.00 0.00 O ATOM 2291 CB THR B 84 4.201 14.773 -7.955 1.00 0.00 C ATOM 2292 OG1 THR B 84 5.630 14.774 -7.853 1.00 0.00 O ATOM 2293 CG2 THR B 84 3.794 15.224 -9.341 1.00 0.00 C ATOM 0 H THR B 84 5.243 17.000 -6.777 1.00 0.00 H new ATOM 0 HA THR B 84 2.552 15.882 -7.085 1.00 0.00 H new ATOM 0 HB THR B 84 3.820 13.765 -7.791 1.00 0.00 H new ATOM 0 HG1 THR B 84 5.951 13.855 -7.743 1.00 0.00 H new ATOM 0 HG21 THR B 84 4.229 14.555 -10.084 1.00 0.00 H new ATOM 0 HG22 THR B 84 2.708 15.203 -9.426 1.00 0.00 H new ATOM 0 HG23 THR B 84 4.152 16.239 -9.513 1.00 0.00 H new ATOM 2301 N ALA B 85 4.211 15.691 -4.534 1.00 0.00 N ATOM 2302 CA ALA B 85 4.397 15.100 -3.210 1.00 0.00 C ATOM 2303 C ALA B 85 3.214 14.203 -2.837 1.00 0.00 C ATOM 2304 O ALA B 85 3.342 12.979 -2.786 1.00 0.00 O ATOM 2305 CB ALA B 85 4.595 16.198 -2.180 1.00 0.00 C ATOM 0 H ALA B 85 4.467 16.676 -4.595 1.00 0.00 H new ATOM 0 HA ALA B 85 5.288 14.473 -3.229 1.00 0.00 H new ATOM 0 HB1 ALA B 85 4.733 15.752 -1.195 1.00 0.00 H new ATOM 0 HB2 ALA B 85 5.476 16.785 -2.439 1.00 0.00 H new ATOM 0 HB3 ALA B 85 3.718 16.846 -2.165 1.00 0.00 H new ATOM 2311 N VAL B 86 2.063 14.823 -2.606 1.00 0.00 N ATOM 2312 CA VAL B 86 0.834 14.106 -2.266 1.00 0.00 C ATOM 2313 C VAL B 86 0.459 13.034 -3.292 1.00 0.00 C ATOM 2314 O VAL B 86 0.253 11.877 -2.932 1.00 0.00 O ATOM 2315 CB VAL B 86 -0.339 15.104 -2.094 1.00 0.00 C ATOM 2316 CG1 VAL B 86 -1.655 14.498 -2.552 1.00 0.00 C ATOM 2317 CG2 VAL B 86 -0.481 15.535 -0.645 1.00 0.00 C ATOM 0 H VAL B 86 1.952 15.836 -2.648 1.00 0.00 H new ATOM 0 HA VAL B 86 1.026 13.591 -1.325 1.00 0.00 H new ATOM 0 HB VAL B 86 -0.108 15.971 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -2.456 15.224 -2.418 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -1.584 14.227 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -1.870 13.607 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -1.311 16.235 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -0.673 14.661 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL B 86 0.439 16.019 -0.317 1.00 0.00 H new ATOM 2327 N LYS B 87 0.415 13.414 -4.560 1.00 0.00 N ATOM 2328 CA LYS B 87 0.011 12.506 -5.629 1.00 0.00 C ATOM 2329 C LYS B 87 0.890 11.265 -5.705 1.00 0.00 C ATOM 2330 O LYS B 87 0.380 10.177 -5.904 1.00 0.00 O ATOM 2331 CB LYS B 87 0.035 13.237 -6.974 1.00 0.00 C ATOM 2332 CG LYS B 87 -0.602 14.619 -6.942 1.00 0.00 C ATOM 2333 CD LYS B 87 -0.345 15.377 -8.235 1.00 0.00 C ATOM 2334 CE LYS B 87 -1.047 16.728 -8.251 1.00 0.00 C ATOM 2335 NZ LYS B 87 -0.434 17.694 -7.296 1.00 0.00 N ATOM 0 H LYS B 87 0.656 14.353 -4.878 1.00 0.00 H new ATOM 0 HA LYS B 87 -1.002 12.175 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS B 87 1.069 13.333 -7.305 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -0.482 12.628 -7.716 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -1.676 14.523 -6.782 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -0.204 15.186 -6.101 1.00 0.00 H new ATOM 0 HD2 LYS B 87 0.728 15.524 -8.363 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -0.688 14.780 -9.080 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -1.010 17.143 -9.258 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -2.099 16.591 -8.001 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -0.640 18.666 -7.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -0.829 17.541 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 0.596 17.550 -7.270 1.00 0.00 H new ATOM 2349 N GLU B 88 2.197 11.418 -5.549 1.00 0.00 N ATOM 2350 CA GLU B 88 3.089 10.270 -5.626 1.00 0.00 C ATOM 2351 C GLU B 88 2.902 9.348 -4.418 1.00 0.00 C ATOM 2352 O GLU B 88 2.983 8.128 -4.552 1.00 0.00 O ATOM 2353 CB GLU B 88 4.544 10.711 -5.797 1.00 0.00 C ATOM 2354 CG GLU B 88 4.931 10.886 -7.264 1.00 0.00 C ATOM 2355 CD GLU B 88 6.356 11.367 -7.463 1.00 0.00 C ATOM 2356 OE1 GLU B 88 6.667 12.485 -7.021 1.00 0.00 O ATOM 2357 OE2 GLU B 88 7.172 10.630 -8.077 1.00 0.00 O ATOM 0 H GLU B 88 2.658 12.310 -5.371 1.00 0.00 H new ATOM 0 HA GLU B 88 2.826 9.693 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU B 88 4.700 11.651 -5.268 1.00 0.00 H new ATOM 0 HB3 GLU B 88 5.201 9.973 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU B 88 4.802 9.935 -7.781 1.00 0.00 H new ATOM 0 HG3 GLU B 88 4.248 11.597 -7.729 1.00 0.00 H new ATOM 2364 N ARG B 89 2.629 9.917 -3.243 1.00 0.00 N ATOM 2365 CA ARG B 89 2.384 9.096 -2.057 1.00 0.00 C ATOM 2366 C ARG B 89 1.054 8.386 -2.218 1.00 0.00 C ATOM 2367 O ARG B 89 0.928 7.189 -1.956 1.00 0.00 O ATOM 2368 CB ARG B 89 2.347 9.930 -0.778 1.00 0.00 C ATOM 2369 CG ARG B 89 1.880 9.135 0.436 1.00 0.00 C ATOM 2370 CD ARG B 89 1.408 10.026 1.581 1.00 0.00 C ATOM 2371 NE ARG B 89 0.522 11.110 1.144 1.00 0.00 N ATOM 2372 CZ ARG B 89 -0.662 10.934 0.552 1.00 0.00 C ATOM 2373 NH1 ARG B 89 -1.154 9.716 0.375 1.00 0.00 N ATOM 2374 NH2 ARG B 89 -1.364 11.986 0.158 1.00 0.00 N ATOM 0 H ARG B 89 2.573 10.924 -3.088 1.00 0.00 H new ATOM 0 HA ARG B 89 3.203 8.383 -1.968 1.00 0.00 H new ATOM 0 HB2 ARG B 89 3.342 10.331 -0.583 1.00 0.00 H new ATOM 0 HB3 ARG B 89 1.683 10.782 -0.925 1.00 0.00 H new ATOM 0 HG2 ARG B 89 1.068 8.472 0.139 1.00 0.00 H new ATOM 0 HG3 ARG B 89 2.696 8.503 0.786 1.00 0.00 H new ATOM 0 HD2 ARG B 89 0.887 9.414 2.317 1.00 0.00 H new ATOM 0 HD3 ARG B 89 2.277 10.455 2.081 1.00 0.00 H new ATOM 0 HE ARG B 89 0.833 12.068 1.304 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -0.627 8.902 0.692 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -2.059 9.593 -0.078 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -1.000 12.927 0.307 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -2.269 11.855 -0.295 1.00 0.00 H new ATOM 2388 N ASP B 90 0.065 9.157 -2.640 1.00 0.00 N ATOM 2389 CA ASP B 90 -1.273 8.650 -2.879 1.00 0.00 C ATOM 2390 C ASP B 90 -1.249 7.600 -3.969 1.00 0.00 C ATOM 2391 O ASP B 90 -1.963 6.603 -3.902 1.00 0.00 O ATOM 2392 CB ASP B 90 -2.206 9.811 -3.244 1.00 0.00 C ATOM 2393 CG ASP B 90 -2.897 10.380 -2.022 1.00 0.00 C ATOM 2394 OD1 ASP B 90 -3.289 9.583 -1.136 1.00 0.00 O ATOM 2395 OD2 ASP B 90 -3.012 11.617 -1.912 1.00 0.00 O ATOM 0 H ASP B 90 0.170 10.154 -2.826 1.00 0.00 H new ATOM 0 HA ASP B 90 -1.650 8.178 -1.972 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -1.634 10.597 -3.737 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -2.954 9.466 -3.958 1.00 0.00 H new ATOM 2400 N ALA B 91 -0.376 7.809 -4.938 1.00 0.00 N ATOM 2401 CA ALA B 91 -0.221 6.882 -6.054 1.00 0.00 C ATOM 2402 C ALA B 91 0.376 5.586 -5.565 1.00 0.00 C ATOM 2403 O ALA B 91 -0.079 4.494 -5.911 1.00 0.00 O ATOM 2404 CB ALA B 91 0.687 7.477 -7.107 1.00 0.00 C ATOM 0 H ALA B 91 0.243 8.619 -4.978 1.00 0.00 H new ATOM 0 HA ALA B 91 -1.203 6.695 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA B 91 0.794 6.775 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA B 91 0.256 8.408 -7.475 1.00 0.00 H new ATOM 0 HB3 ALA B 91 1.666 7.677 -6.672 1.00 0.00 H new ATOM 2410 N VAL B 92 1.417 5.731 -4.768 1.00 0.00 N ATOM 2411 CA VAL B 92 2.099 4.608 -4.183 1.00 0.00 C ATOM 2412 C VAL B 92 1.112 3.805 -3.370 1.00 0.00 C ATOM 2413 O VAL B 92 1.031 2.591 -3.495 1.00 0.00 O ATOM 2414 CB VAL B 92 3.250 5.114 -3.304 1.00 0.00 C ATOM 2415 CG1 VAL B 92 3.536 4.195 -2.136 1.00 0.00 C ATOM 2416 CG2 VAL B 92 4.496 5.291 -4.132 1.00 0.00 C ATOM 0 H VAL B 92 1.810 6.637 -4.511 1.00 0.00 H new ATOM 0 HA VAL B 92 2.516 3.969 -4.961 1.00 0.00 H new ATOM 0 HB VAL B 92 2.939 6.074 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL B 92 4.359 4.600 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.647 4.115 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL B 92 3.808 3.207 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL B 92 5.306 5.650 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL B 92 4.778 4.335 -4.574 1.00 0.00 H new ATOM 0 HG23 VAL B 92 4.307 6.015 -4.924 1.00 0.00 H new ATOM 2426 N LYS B 93 0.328 4.518 -2.579 1.00 0.00 N ATOM 2427 CA LYS B 93 -0.680 3.905 -1.747 1.00 0.00 C ATOM 2428 C LYS B 93 -1.723 3.222 -2.597 1.00 0.00 C ATOM 2429 O LYS B 93 -2.183 2.137 -2.268 1.00 0.00 O ATOM 2430 CB LYS B 93 -1.381 4.954 -0.901 1.00 0.00 C ATOM 2431 CG LYS B 93 -2.481 4.354 -0.054 1.00 0.00 C ATOM 2432 CD LYS B 93 -3.512 5.381 0.364 1.00 0.00 C ATOM 2433 CE LYS B 93 -4.410 5.822 -0.772 1.00 0.00 C ATOM 2434 NZ LYS B 93 -4.685 4.736 -1.757 1.00 0.00 N ATOM 0 H LYS B 93 0.376 5.534 -2.499 1.00 0.00 H new ATOM 0 HA LYS B 93 -0.181 3.177 -1.107 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -0.653 5.445 -0.255 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -1.801 5.722 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -2.972 3.557 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -2.044 3.899 0.835 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -4.126 4.966 1.163 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -3.002 6.252 0.774 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -5.354 6.180 -0.362 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -3.947 6.663 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -5.331 5.089 -2.491 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -3.793 4.433 -2.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -5.123 3.928 -1.270 1.00 0.00 H new ATOM 2448 N ASP B 94 -2.123 3.885 -3.668 1.00 0.00 N ATOM 2449 CA ASP B 94 -3.124 3.333 -4.557 1.00 0.00 C ATOM 2450 C ASP B 94 -2.670 1.979 -5.061 1.00 0.00 C ATOM 2451 O ASP B 94 -3.367 0.975 -4.910 1.00 0.00 O ATOM 2452 CB ASP B 94 -3.402 4.267 -5.729 1.00 0.00 C ATOM 2453 CG ASP B 94 -4.533 5.228 -5.422 1.00 0.00 C ATOM 2454 OD1 ASP B 94 -5.053 5.189 -4.278 1.00 0.00 O ATOM 2455 OD2 ASP B 94 -4.907 6.011 -6.314 1.00 0.00 O ATOM 0 H ASP B 94 -1.770 4.802 -3.940 1.00 0.00 H new ATOM 0 HA ASP B 94 -4.052 3.218 -3.997 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -2.500 4.830 -5.968 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -3.653 3.679 -6.612 1.00 0.00 H new ATOM 2460 N LEU B 95 -1.474 1.960 -5.630 1.00 0.00 N ATOM 2461 CA LEU B 95 -0.889 0.737 -6.145 1.00 0.00 C ATOM 2462 C LEU B 95 -0.698 -0.267 -5.016 1.00 0.00 C ATOM 2463 O LEU B 95 -1.069 -1.428 -5.140 1.00 0.00 O ATOM 2464 CB LEU B 95 0.441 1.044 -6.840 1.00 0.00 C ATOM 2465 CG LEU B 95 0.435 0.850 -8.362 1.00 0.00 C ATOM 2466 CD1 LEU B 95 -0.933 1.174 -8.947 1.00 0.00 C ATOM 2467 CD2 LEU B 95 1.500 1.721 -9.008 1.00 0.00 C ATOM 0 H LEU B 95 -0.888 2.787 -5.746 1.00 0.00 H new ATOM 0 HA LEU B 95 -1.564 0.298 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU B 95 0.719 2.075 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU B 95 1.214 0.407 -6.410 1.00 0.00 H new ATOM 0 HG LEU B 95 0.657 -0.196 -8.572 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -0.911 1.029 -10.027 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -1.682 0.515 -8.508 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -1.187 2.211 -8.726 1.00 0.00 H new ATOM 0 HD21 LEU B 95 1.485 1.574 -10.088 1.00 0.00 H new ATOM 0 HD22 LEU B 95 1.300 2.768 -8.782 1.00 0.00 H new ATOM 0 HD23 LEU B 95 2.480 1.447 -8.618 1.00 0.00 H new ATOM 2479 N LEU B 96 -0.161 0.211 -3.907 1.00 0.00 N ATOM 2480 CA LEU B 96 0.088 -0.616 -2.735 1.00 0.00 C ATOM 2481 C LEU B 96 -1.183 -1.298 -2.243 1.00 0.00 C ATOM 2482 O LEU B 96 -1.263 -2.518 -2.223 1.00 0.00 O ATOM 2483 CB LEU B 96 0.687 0.249 -1.632 1.00 0.00 C ATOM 2484 CG LEU B 96 2.194 0.436 -1.738 1.00 0.00 C ATOM 2485 CD1 LEU B 96 2.676 1.450 -0.718 1.00 0.00 C ATOM 2486 CD2 LEU B 96 2.907 -0.894 -1.570 1.00 0.00 C ATOM 0 H LEU B 96 0.116 1.186 -3.792 1.00 0.00 H new ATOM 0 HA LEU B 96 0.789 -1.404 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU B 96 0.208 1.228 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU B 96 0.454 -0.200 -0.666 1.00 0.00 H new ATOM 0 HG LEU B 96 2.430 0.820 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU B 96 3.755 1.571 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU B 96 2.187 2.407 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU B 96 2.432 1.101 0.285 1.00 0.00 H new ATOM 0 HD21 LEU B 96 3.984 -0.742 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU B 96 2.670 -1.313 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU B 96 2.580 -1.583 -2.349 1.00 0.00 H new ATOM 2498 N GLN B 97 -2.169 -0.498 -1.870 1.00 0.00 N ATOM 2499 CA GLN B 97 -3.451 -0.990 -1.374 1.00 0.00 C ATOM 2500 C GLN B 97 -4.080 -2.036 -2.303 1.00 0.00 C ATOM 2501 O GLN B 97 -4.566 -3.068 -1.846 1.00 0.00 O ATOM 2502 CB GLN B 97 -4.384 0.202 -1.157 1.00 0.00 C ATOM 2503 CG GLN B 97 -5.855 -0.064 -1.384 1.00 0.00 C ATOM 2504 CD GLN B 97 -6.643 1.227 -1.458 1.00 0.00 C ATOM 2505 OE1 GLN B 97 -7.131 1.735 -0.450 1.00 0.00 O ATOM 2506 NE2 GLN B 97 -6.741 1.783 -2.648 1.00 0.00 N ATOM 0 H GLN B 97 -2.105 0.519 -1.902 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.283 -1.502 -0.427 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -4.252 0.561 -0.136 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.073 1.008 -1.821 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -5.987 -0.626 -2.308 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -6.244 -0.684 -0.576 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -6.322 1.329 -3.459 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.236 2.668 -2.758 1.00 0.00 H new ATOM 2515 N GLN B 98 -4.028 -1.785 -3.604 1.00 0.00 N ATOM 2516 CA GLN B 98 -4.623 -2.690 -4.589 1.00 0.00 C ATOM 2517 C GLN B 98 -3.769 -3.931 -4.858 1.00 0.00 C ATOM 2518 O GLN B 98 -4.302 -5.002 -5.153 1.00 0.00 O ATOM 2519 CB GLN B 98 -4.871 -1.940 -5.895 1.00 0.00 C ATOM 2520 CG GLN B 98 -6.176 -1.165 -5.886 1.00 0.00 C ATOM 2521 CD GLN B 98 -6.019 0.283 -6.307 1.00 0.00 C ATOM 2522 OE1 GLN B 98 -6.685 1.167 -5.772 1.00 0.00 O ATOM 2523 NE2 GLN B 98 -5.153 0.538 -7.277 1.00 0.00 N ATOM 0 H GLN B 98 -3.580 -0.962 -4.006 1.00 0.00 H new ATOM 0 HA GLN B 98 -5.565 -3.041 -4.168 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -4.046 -1.252 -6.076 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -4.881 -2.651 -6.721 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -6.885 -1.655 -6.553 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -6.604 -1.200 -4.884 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -4.618 -0.223 -7.696 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -5.021 1.495 -7.604 1.00 0.00 H new ATOM 2532 N LEU B 99 -2.457 -3.793 -4.758 1.00 0.00 N ATOM 2533 CA LEU B 99 -1.551 -4.908 -5.022 1.00 0.00 C ATOM 2534 C LEU B 99 -1.236 -5.699 -3.763 1.00 0.00 C ATOM 2535 O LEU B 99 -0.673 -6.793 -3.834 1.00 0.00 O ATOM 2536 CB LEU B 99 -0.255 -4.387 -5.632 1.00 0.00 C ATOM 2537 CG LEU B 99 -0.362 -3.923 -7.080 1.00 0.00 C ATOM 2538 CD1 LEU B 99 0.634 -2.811 -7.345 1.00 0.00 C ATOM 2539 CD2 LEU B 99 -0.120 -5.088 -8.026 1.00 0.00 C ATOM 0 H LEU B 99 -1.993 -2.923 -4.497 1.00 0.00 H new ATOM 0 HA LEU B 99 -2.052 -5.578 -5.720 1.00 0.00 H new ATOM 0 HB2 LEU B 99 0.105 -3.555 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU B 99 0.498 -5.173 -5.573 1.00 0.00 H new ATOM 0 HG LEU B 99 -1.368 -3.540 -7.253 1.00 0.00 H new ATOM 0 HD11 LEU B 99 0.550 -2.487 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU B 99 0.425 -1.970 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU B 99 1.644 -3.176 -7.160 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -0.199 -4.742 -9.057 1.00 0.00 H new ATOM 0 HD22 LEU B 99 0.877 -5.494 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.864 -5.864 -7.845 1.00 0.00 H new ATOM 2551 N LEU B 100 -1.592 -5.142 -2.618 1.00 0.00 N ATOM 2552 CA LEU B 100 -1.342 -5.786 -1.338 1.00 0.00 C ATOM 2553 C LEU B 100 -1.937 -7.180 -1.246 1.00 0.00 C ATOM 2554 O LEU B 100 -1.188 -8.137 -1.065 1.00 0.00 O ATOM 2555 CB LEU B 100 -1.843 -4.932 -0.186 1.00 0.00 C ATOM 2556 CG LEU B 100 -0.817 -3.978 0.383 1.00 0.00 C ATOM 2557 CD1 LEU B 100 -1.464 -3.113 1.455 1.00 0.00 C ATOM 2558 CD2 LEU B 100 0.363 -4.784 0.921 1.00 0.00 C ATOM 0 H LEU B 100 -2.059 -4.238 -2.548 1.00 0.00 H new ATOM 0 HA LEU B 100 -0.260 -5.891 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.705 -4.358 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -2.191 -5.589 0.611 1.00 0.00 H new ATOM 0 HG LEU B 100 -0.441 -3.307 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -0.723 -2.426 1.864 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -2.284 -2.544 1.017 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -1.849 -3.749 2.252 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.109 -4.105 1.334 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.016 -5.460 1.702 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.808 -5.363 0.111 1.00 0.00 H new ATOM 2570 N PRO B 101 -3.274 -7.340 -1.379 1.00 0.00 N ATOM 2571 CA PRO B 101 -3.903 -8.651 -1.281 1.00 0.00 C ATOM 2572 C PRO B 101 -3.215 -9.660 -2.176 1.00 0.00 C ATOM 2573 O PRO B 101 -2.932 -10.778 -1.753 1.00 0.00 O ATOM 2574 CB PRO B 101 -5.354 -8.413 -1.727 1.00 0.00 C ATOM 2575 CG PRO B 101 -5.370 -7.049 -2.330 1.00 0.00 C ATOM 2576 CD PRO B 101 -4.269 -6.290 -1.655 1.00 0.00 C ATOM 0 HA PRO B 101 -3.841 -9.063 -0.274 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.670 -9.165 -2.450 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -6.039 -8.476 -0.882 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -5.209 -7.096 -3.407 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -6.333 -6.563 -2.173 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -3.864 -5.507 -2.297 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.612 -5.807 -0.740 1.00 0.00 H new ATOM 2584 N LYS B 102 -2.887 -9.221 -3.382 1.00 0.00 N ATOM 2585 CA LYS B 102 -2.225 -10.050 -4.377 1.00 0.00 C ATOM 2586 C LYS B 102 -1.037 -10.821 -3.786 1.00 0.00 C ATOM 2587 O LYS B 102 -0.784 -11.972 -4.160 1.00 0.00 O ATOM 2588 CB LYS B 102 -1.760 -9.162 -5.533 1.00 0.00 C ATOM 2589 CG LYS B 102 -1.020 -9.903 -6.627 1.00 0.00 C ATOM 2590 CD LYS B 102 -0.473 -8.928 -7.675 1.00 0.00 C ATOM 2591 CE LYS B 102 0.609 -9.549 -8.557 1.00 0.00 C ATOM 2592 NZ LYS B 102 1.397 -8.510 -9.295 1.00 0.00 N ATOM 0 H LYS B 102 -3.075 -8.270 -3.700 1.00 0.00 H new ATOM 0 HA LYS B 102 -2.938 -10.792 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -2.628 -8.667 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -1.112 -8.380 -5.137 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -0.200 -10.475 -6.193 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -1.690 -10.618 -7.104 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -1.293 -8.581 -8.304 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -0.065 -8.052 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS B 102 1.282 -10.144 -7.940 1.00 0.00 H new ATOM 0 HE3 LYS B 102 0.147 -10.230 -9.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 2.183 -8.965 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 0.780 -8.026 -9.978 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 1.776 -7.816 -8.619 1.00 0.00 H new ATOM 2606 N PHE B 103 -0.330 -10.217 -2.837 1.00 0.00 N ATOM 2607 CA PHE B 103 0.815 -10.869 -2.236 1.00 0.00 C ATOM 2608 C PHE B 103 0.559 -11.233 -0.793 1.00 0.00 C ATOM 2609 O PHE B 103 1.106 -12.219 -0.300 1.00 0.00 O ATOM 2610 CB PHE B 103 2.064 -10.018 -2.395 1.00 0.00 C ATOM 2611 CG PHE B 103 2.543 -10.022 -3.812 1.00 0.00 C ATOM 2612 CD1 PHE B 103 3.159 -11.145 -4.340 1.00 0.00 C ATOM 2613 CD2 PHE B 103 2.343 -8.924 -4.627 1.00 0.00 C ATOM 2614 CE1 PHE B 103 3.574 -11.167 -5.656 1.00 0.00 C ATOM 2615 CE2 PHE B 103 2.751 -8.943 -5.943 1.00 0.00 C ATOM 2616 CZ PHE B 103 3.369 -10.065 -6.459 1.00 0.00 C ATOM 0 H PHE B 103 -0.531 -9.285 -2.474 1.00 0.00 H new ATOM 0 HA PHE B 103 0.983 -11.806 -2.767 1.00 0.00 H new ATOM 0 HB2 PHE B 103 1.853 -8.995 -2.082 1.00 0.00 H new ATOM 0 HB3 PHE B 103 2.850 -10.395 -1.741 1.00 0.00 H new ATOM 0 HD1 PHE B 103 3.316 -12.012 -3.715 1.00 0.00 H new ATOM 0 HD2 PHE B 103 1.862 -8.043 -4.229 1.00 0.00 H new ATOM 0 HE1 PHE B 103 4.058 -12.046 -6.056 1.00 0.00 H new ATOM 0 HE2 PHE B 103 2.587 -8.080 -6.571 1.00 0.00 H new ATOM 0 HZ PHE B 103 3.691 -10.079 -7.490 1.00 0.00 H new ATOM 2626 N LYS B 104 -0.297 -10.467 -0.143 1.00 0.00 N ATOM 2627 CA LYS B 104 -0.654 -10.704 1.244 1.00 0.00 C ATOM 2628 C LYS B 104 -1.104 -12.148 1.460 1.00 0.00 C ATOM 2629 O LYS B 104 -2.069 -12.617 0.840 1.00 0.00 O ATOM 2630 CB LYS B 104 -1.756 -9.732 1.670 1.00 0.00 C ATOM 2631 CG LYS B 104 -2.705 -10.293 2.714 1.00 0.00 C ATOM 2632 CD LYS B 104 -3.751 -9.278 3.110 1.00 0.00 C ATOM 2633 CE LYS B 104 -3.181 -8.266 4.094 1.00 0.00 C ATOM 2634 NZ LYS B 104 -4.244 -7.589 4.877 1.00 0.00 N ATOM 0 H LYS B 104 -0.765 -9.663 -0.561 1.00 0.00 H new ATOM 0 HA LYS B 104 0.230 -10.536 1.860 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -1.295 -8.826 2.063 1.00 0.00 H new ATOM 0 HB3 LYS B 104 -2.330 -9.442 0.790 1.00 0.00 H new ATOM 0 HG2 LYS B 104 -3.192 -11.186 2.323 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -2.140 -10.598 3.595 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -4.117 -8.762 2.222 1.00 0.00 H new ATOM 0 HD3 LYS B 104 -4.605 -9.786 3.558 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -2.495 -8.770 4.775 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -2.601 -7.520 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -3.894 -6.670 5.215 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -5.079 -7.442 4.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -4.505 -8.180 5.692 1.00 0.00 H new