USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 622 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 Single : A 372 SER OG : rot 180:sc= 0 USER MOD Single : A 373 SER OG : rot 180:sc= 0 USER MOD Single : A 376 TYR OH : rot -141:sc= -1.78! USER MOD Single : A 377 GLN : amide:sc= -1.99 K(o=-2,f=-7.1!) USER MOD Single : A 384 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0759) USER MOD Single : A 389 SER OG : rot 180:sc= 0 USER MOD Single : A 390 GLN : amide:sc= -0.0177 X(o=-0.018,f=-0.15) USER MOD Single : A 399 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 401 THR OG1 : rot 180:sc= 0 USER MOD Single : A 402 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.4!) USER MOD Single : A 406 SER OG : rot -69:sc= 1.12 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot 180:sc= 0 USER MOD Single : A 419 SER OG : rot 180:sc= 0 USER MOD Single : A 420 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 425 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 429 MET CE :methyl -157:sc= -0.0732 (180deg=-0.922) USER MOD Single : A 430 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 431 ASN : amide:sc= -0.0956 X(o=-0.096,f=-0.00022) USER MOD Single : A 434 GLN : amide:sc= -0.071 X(o=-0.071,f=0) USER MOD Single : A 444 TYR OH : rot -28:sc= 0.727 USER MOD Single : A 445 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 371 -10.767 8.841 -5.870 1.00 0.00 N ATOM 45 CA VAL A 371 -10.483 7.492 -5.393 1.00 0.00 C ATOM 46 C VAL A 371 -11.692 6.895 -4.680 1.00 0.00 C ATOM 47 O VAL A 371 -12.366 7.575 -3.905 1.00 0.00 O ATOM 48 CB VAL A 371 -9.277 7.476 -4.436 1.00 0.00 C ATOM 49 CG1 VAL A 371 -8.873 6.048 -4.107 1.00 0.00 C ATOM 50 CG2 VAL A 371 -8.108 8.244 -5.037 1.00 0.00 C ATOM 0 HA VAL A 371 -10.248 6.890 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 371 -9.567 7.969 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 371 -8.019 6.058 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 371 -9.708 5.534 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 371 -8.602 5.526 -5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 371 -7.265 8.222 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 371 -7.816 7.783 -5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 371 -8.405 9.278 -5.215 1.00 0.00 H new ATOM 60 N SER A 372 -11.962 5.622 -4.949 1.00 0.00 N ATOM 61 CA SER A 372 -13.091 4.934 -4.333 1.00 0.00 C ATOM 62 C SER A 372 -12.639 4.110 -3.132 1.00 0.00 C ATOM 63 O SER A 372 -11.453 4.067 -2.807 1.00 0.00 O ATOM 64 CB SER A 372 -13.784 4.030 -5.355 1.00 0.00 C ATOM 65 OG SER A 372 -14.753 4.747 -6.098 1.00 0.00 O ATOM 0 H SER A 372 -11.415 5.046 -5.589 1.00 0.00 H new ATOM 0 HA SER A 372 -13.798 5.688 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 372 -13.042 3.607 -6.032 1.00 0.00 H new ATOM 0 HB3 SER A 372 -14.260 3.195 -4.842 1.00 0.00 H new ATOM 0 HG SER A 372 -15.179 4.147 -6.745 1.00 0.00 H new ATOM 71 N SER A 373 -13.594 3.458 -2.476 1.00 0.00 N ATOM 72 CA SER A 373 -13.296 2.634 -1.310 1.00 0.00 C ATOM 73 C SER A 373 -12.512 1.385 -1.705 1.00 0.00 C ATOM 74 O SER A 373 -11.842 0.774 -0.872 1.00 0.00 O ATOM 75 CB SER A 373 -14.590 2.235 -0.600 1.00 0.00 C ATOM 76 OG SER A 373 -14.320 1.670 0.672 1.00 0.00 O ATOM 0 H SER A 373 -14.581 3.484 -2.732 1.00 0.00 H new ATOM 0 HA SER A 373 -12.681 3.223 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 373 -15.230 3.110 -0.485 1.00 0.00 H new ATOM 0 HB3 SER A 373 -15.138 1.518 -1.211 1.00 0.00 H new ATOM 0 HG SER A 373 -15.163 1.425 1.107 1.00 0.00 H new ATOM 82 N GLU A 374 -12.599 1.008 -2.979 1.00 0.00 N ATOM 83 CA GLU A 374 -11.897 -0.170 -3.480 1.00 0.00 C ATOM 84 C GLU A 374 -10.411 -0.113 -3.133 1.00 0.00 C ATOM 85 O GLU A 374 -9.759 -1.147 -2.989 1.00 0.00 O ATOM 86 CB GLU A 374 -12.073 -0.288 -4.995 1.00 0.00 C ATOM 87 CG GLU A 374 -13.527 -0.358 -5.434 1.00 0.00 C ATOM 88 CD GLU A 374 -13.848 0.618 -6.550 1.00 0.00 C ATOM 89 OE1 GLU A 374 -13.019 0.757 -7.474 1.00 0.00 O ATOM 90 OE2 GLU A 374 -14.929 1.242 -6.499 1.00 0.00 O ATOM 0 H GLU A 374 -13.149 1.501 -3.682 1.00 0.00 H new ATOM 0 HA GLU A 374 -12.329 -1.048 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 374 -11.598 0.567 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 374 -11.553 -1.180 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 374 -13.754 -1.371 -5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 374 -14.171 -0.151 -4.579 1.00 0.00 H new ATOM 97 N ILE A 375 -9.885 1.100 -3.001 1.00 0.00 N ATOM 98 CA ILE A 375 -8.477 1.291 -2.671 1.00 0.00 C ATOM 99 C ILE A 375 -8.127 0.613 -1.348 1.00 0.00 C ATOM 100 O ILE A 375 -7.062 0.013 -1.211 1.00 0.00 O ATOM 101 CB ILE A 375 -8.118 2.788 -2.587 1.00 0.00 C ATOM 102 CG1 ILE A 375 -6.617 2.966 -2.346 1.00 0.00 C ATOM 103 CG2 ILE A 375 -8.922 3.466 -1.486 1.00 0.00 C ATOM 104 CD1 ILE A 375 -5.756 2.348 -3.425 1.00 0.00 C ATOM 0 H ILE A 375 -10.412 1.965 -3.117 1.00 0.00 H new ATOM 0 HA ILE A 375 -7.896 0.834 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 375 -8.371 3.259 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 375 -6.392 4.030 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 375 -6.356 2.522 -1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 375 -8.657 4.522 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 375 -9.986 3.368 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 375 -8.699 2.994 -0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 375 -4.704 2.512 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 375 -5.953 1.277 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 375 -5.989 2.809 -4.385 1.00 0.00 H new ATOM 116 N TYR A 376 -9.030 0.718 -0.380 1.00 0.00 N ATOM 117 CA TYR A 376 -8.817 0.116 0.932 1.00 0.00 C ATOM 118 C TYR A 376 -9.006 -1.396 0.872 1.00 0.00 C ATOM 119 O TYR A 376 -8.291 -2.147 1.537 1.00 0.00 O ATOM 120 CB TYR A 376 -9.779 0.721 1.956 1.00 0.00 C ATOM 121 CG TYR A 376 -9.585 2.206 2.165 1.00 0.00 C ATOM 122 CD1 TYR A 376 -8.561 2.686 2.971 1.00 0.00 C ATOM 123 CD2 TYR A 376 -10.427 3.129 1.554 1.00 0.00 C ATOM 124 CE1 TYR A 376 -8.382 4.043 3.164 1.00 0.00 C ATOM 125 CE2 TYR A 376 -10.254 4.487 1.743 1.00 0.00 C ATOM 126 CZ TYR A 376 -9.230 4.939 2.548 1.00 0.00 C ATOM 127 OH TYR A 376 -9.054 6.290 2.737 1.00 0.00 O ATOM 0 H TYR A 376 -9.916 1.214 -0.478 1.00 0.00 H new ATOM 0 HA TYR A 376 -7.792 0.325 1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 376 -10.804 0.539 1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 376 -9.651 0.209 2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 376 -7.894 1.988 3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 376 -11.229 2.779 0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 376 -7.581 4.400 3.795 1.00 0.00 H new ATOM 0 HE2 TYR A 376 -10.918 5.191 1.263 1.00 0.00 H new ATOM 0 HH TYR A 376 -9.928 6.726 2.816 1.00 0.00 H new ATOM 137 N GLN A 377 -9.973 -1.836 0.073 1.00 0.00 N ATOM 138 CA GLN A 377 -10.254 -3.258 -0.074 1.00 0.00 C ATOM 139 C GLN A 377 -9.121 -3.965 -0.810 1.00 0.00 C ATOM 140 O GLN A 377 -8.844 -5.139 -0.563 1.00 0.00 O ATOM 141 CB GLN A 377 -11.575 -3.461 -0.823 1.00 0.00 C ATOM 142 CG GLN A 377 -12.622 -4.213 -0.018 1.00 0.00 C ATOM 143 CD GLN A 377 -12.177 -5.615 0.351 1.00 0.00 C ATOM 144 OE1 GLN A 377 -10.989 -5.873 0.539 1.00 0.00 O ATOM 145 NE2 GLN A 377 -13.134 -6.531 0.455 1.00 0.00 N ATOM 0 H GLN A 377 -10.575 -1.228 -0.482 1.00 0.00 H new ATOM 0 HA GLN A 377 -10.338 -3.693 0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 377 -11.976 -2.488 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 377 -11.379 -4.005 -1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 377 -12.845 -3.655 0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 377 -13.546 -4.269 -0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 377 -14.107 -6.273 0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 377 -12.896 -7.492 0.699 1.00 0.00 H new ATOM 154 N TRP A 378 -8.467 -3.242 -1.713 1.00 0.00 N ATOM 155 CA TRP A 378 -7.364 -3.799 -2.486 1.00 0.00 C ATOM 156 C TRP A 378 -6.138 -4.019 -1.605 1.00 0.00 C ATOM 157 O TRP A 378 -5.463 -5.044 -1.711 1.00 0.00 O ATOM 158 CB TRP A 378 -7.010 -2.872 -3.650 1.00 0.00 C ATOM 159 CG TRP A 378 -8.091 -2.772 -4.684 1.00 0.00 C ATOM 160 CD1 TRP A 378 -9.130 -3.637 -4.872 1.00 0.00 C ATOM 161 CD2 TRP A 378 -8.238 -1.746 -5.673 1.00 0.00 C ATOM 162 NE1 TRP A 378 -9.914 -3.212 -5.918 1.00 0.00 N ATOM 163 CE2 TRP A 378 -9.388 -2.054 -6.425 1.00 0.00 C ATOM 164 CE3 TRP A 378 -7.510 -0.597 -5.995 1.00 0.00 C ATOM 165 CZ2 TRP A 378 -9.824 -1.254 -7.477 1.00 0.00 C ATOM 166 CZ3 TRP A 378 -7.945 0.195 -7.041 1.00 0.00 C ATOM 167 CH2 TRP A 378 -9.092 -0.136 -7.771 1.00 0.00 C ATOM 0 H TRP A 378 -8.682 -2.268 -1.927 1.00 0.00 H new ATOM 0 HA TRP A 378 -7.682 -4.763 -2.882 1.00 0.00 H new ATOM 0 HB2 TRP A 378 -6.798 -1.877 -3.260 1.00 0.00 H new ATOM 0 HB3 TRP A 378 -6.096 -3.230 -4.124 1.00 0.00 H new ATOM 0 HD1 TRP A 378 -9.310 -4.525 -4.285 1.00 0.00 H new ATOM 0 HE1 TRP A 378 -10.751 -3.683 -6.261 1.00 0.00 H new ATOM 0 HE3 TRP A 378 -6.624 -0.333 -5.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 378 -10.709 -1.507 -8.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 378 -7.390 1.085 -7.299 1.00 0.00 H new ATOM 0 HH2 TRP A 378 -9.406 0.504 -8.583 1.00 0.00 H new ATOM 178 N VAL A 379 -5.858 -3.053 -0.738 1.00 0.00 N ATOM 179 CA VAL A 379 -4.714 -3.141 0.162 1.00 0.00 C ATOM 180 C VAL A 379 -4.844 -4.336 1.100 1.00 0.00 C ATOM 181 O VAL A 379 -3.904 -5.113 1.264 1.00 0.00 O ATOM 182 CB VAL A 379 -4.556 -1.857 0.998 1.00 0.00 C ATOM 183 CG1 VAL A 379 -3.272 -1.904 1.814 1.00 0.00 C ATOM 184 CG2 VAL A 379 -4.584 -0.627 0.103 1.00 0.00 C ATOM 0 H VAL A 379 -6.408 -2.199 -0.639 1.00 0.00 H new ATOM 0 HA VAL A 379 -3.829 -3.268 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 379 -5.396 -1.792 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 379 -3.178 -0.988 2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 379 -3.299 -2.762 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 379 -2.418 -1.996 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 379 -4.471 0.269 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 379 -3.767 -0.682 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 379 -5.534 -0.586 -0.430 1.00 0.00 H new ATOM 194 N ARG A 380 -6.013 -4.474 1.716 1.00 0.00 N ATOM 195 CA ARG A 380 -6.266 -5.573 2.640 1.00 0.00 C ATOM 196 C ARG A 380 -6.272 -6.911 1.906 1.00 0.00 C ATOM 197 O ARG A 380 -5.610 -7.862 2.322 1.00 0.00 O ATOM 198 CB ARG A 380 -7.601 -5.365 3.360 1.00 0.00 C ATOM 199 CG ARG A 380 -7.453 -4.764 4.749 1.00 0.00 C ATOM 200 CD ARG A 380 -7.912 -3.313 4.781 1.00 0.00 C ATOM 201 NE ARG A 380 -7.782 -2.727 6.114 1.00 0.00 N ATOM 202 CZ ARG A 380 -8.638 -2.949 7.108 1.00 0.00 C ATOM 203 NH1 ARG A 380 -9.687 -3.742 6.924 1.00 0.00 N ATOM 204 NH2 ARG A 380 -8.447 -2.378 8.288 1.00 0.00 N ATOM 0 H ARG A 380 -6.801 -3.838 1.592 1.00 0.00 H new ATOM 0 HA ARG A 380 -5.463 -5.588 3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 380 -8.233 -4.714 2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 380 -8.115 -6.323 3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 380 -8.035 -5.347 5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 380 -6.411 -4.824 5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 380 -7.325 -2.731 4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 380 -8.952 -3.254 4.459 1.00 0.00 H new ATOM 0 HE ARG A 380 -6.988 -2.112 6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 380 -9.839 -4.184 6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 380 -10.340 -3.909 7.689 1.00 0.00 H new ATOM 0 HH21 ARG A 380 -7.643 -1.768 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 380 -9.104 -2.549 9.049 1.00 0.00 H new ATOM 218 N ASP A 381 -7.024 -6.977 0.813 1.00 0.00 N ATOM 219 CA ASP A 381 -7.118 -8.199 0.021 1.00 0.00 C ATOM 220 C ASP A 381 -5.747 -8.615 -0.501 1.00 0.00 C ATOM 221 O ASP A 381 -5.374 -9.786 -0.432 1.00 0.00 O ATOM 222 CB ASP A 381 -8.084 -8.000 -1.148 1.00 0.00 C ATOM 223 CG ASP A 381 -8.659 -9.309 -1.652 1.00 0.00 C ATOM 224 OD1 ASP A 381 -7.869 -10.232 -1.940 1.00 0.00 O ATOM 225 OD2 ASP A 381 -9.899 -9.411 -1.756 1.00 0.00 O ATOM 0 H ASP A 381 -7.578 -6.199 0.455 1.00 0.00 H new ATOM 0 HA ASP A 381 -7.497 -8.992 0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 381 -8.898 -7.345 -0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 381 -7.565 -7.497 -1.963 1.00 0.00 H new ATOM 230 N GLU A 382 -5.000 -7.649 -1.025 1.00 0.00 N ATOM 231 CA GLU A 382 -3.669 -7.916 -1.560 1.00 0.00 C ATOM 232 C GLU A 382 -2.724 -8.386 -0.460 1.00 0.00 C ATOM 233 O GLU A 382 -1.925 -9.300 -0.662 1.00 0.00 O ATOM 234 CB GLU A 382 -3.106 -6.662 -2.231 1.00 0.00 C ATOM 235 CG GLU A 382 -1.927 -6.939 -3.147 1.00 0.00 C ATOM 236 CD GLU A 382 -2.236 -7.990 -4.196 1.00 0.00 C ATOM 237 OE1 GLU A 382 -2.824 -7.632 -5.239 1.00 0.00 O ATOM 238 OE2 GLU A 382 -1.893 -9.170 -3.974 1.00 0.00 O ATOM 0 H GLU A 382 -5.293 -6.674 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 382 -3.756 -8.710 -2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 382 -3.897 -6.182 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 382 -2.798 -5.955 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 382 -1.631 -6.014 -3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -1.077 -7.267 -2.549 1.00 0.00 H new ATOM 245 N LEU A 383 -2.819 -7.753 0.705 1.00 0.00 N ATOM 246 CA LEU A 383 -1.972 -8.106 1.839 1.00 0.00 C ATOM 247 C LEU A 383 -2.188 -9.559 2.250 1.00 0.00 C ATOM 248 O LEU A 383 -1.270 -10.223 2.729 1.00 0.00 O ATOM 249 CB LEU A 383 -2.256 -7.180 3.022 1.00 0.00 C ATOM 250 CG LEU A 383 -1.409 -5.907 3.068 1.00 0.00 C ATOM 251 CD1 LEU A 383 -2.127 -4.817 3.846 1.00 0.00 C ATOM 252 CD2 LEU A 383 -0.047 -6.196 3.682 1.00 0.00 C ATOM 0 H LEU A 383 -3.474 -6.993 0.889 1.00 0.00 H new ATOM 0 HA LEU A 383 -0.932 -7.986 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -3.308 -6.897 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -2.097 -7.737 3.945 1.00 0.00 H new ATOM 0 HG LEU A 383 -1.258 -5.556 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 383 -1.510 -3.919 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -3.078 -4.592 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 383 -2.309 -5.157 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 383 0.543 -5.280 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 383 -0.178 -6.571 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 383 0.471 -6.944 3.082 1.00 0.00 H new ATOM 264 N LYS A 384 -3.411 -10.047 2.058 1.00 0.00 N ATOM 265 CA LYS A 384 -3.748 -11.421 2.408 1.00 0.00 C ATOM 266 C LYS A 384 -3.238 -12.393 1.350 1.00 0.00 C ATOM 267 O LYS A 384 -2.586 -13.387 1.668 1.00 0.00 O ATOM 268 CB LYS A 384 -5.263 -11.569 2.574 1.00 0.00 C ATOM 269 CG LYS A 384 -5.673 -12.196 3.896 1.00 0.00 C ATOM 270 CD LYS A 384 -5.010 -13.550 4.100 1.00 0.00 C ATOM 271 CE LYS A 384 -5.762 -14.388 5.121 1.00 0.00 C ATOM 272 NZ LYS A 384 -7.031 -14.934 4.566 1.00 0.00 N ATOM 0 H LYS A 384 -4.183 -9.511 1.662 1.00 0.00 H new ATOM 0 HA LYS A 384 -3.263 -11.660 3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -5.727 -10.586 2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -5.652 -12.177 1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -5.402 -11.530 4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.756 -12.312 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -4.968 -14.083 3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -3.981 -13.407 4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.128 -15.210 5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -5.982 -13.780 5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.392 -15.680 5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -7.735 -14.172 4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -6.854 -15.333 3.622 1.00 0.00 H new ATOM 286 N ARG A 385 -3.540 -12.098 0.089 1.00 0.00 N ATOM 287 CA ARG A 385 -3.114 -12.946 -1.019 1.00 0.00 C ATOM 288 C ARG A 385 -1.592 -12.998 -1.108 1.00 0.00 C ATOM 289 O ARG A 385 -1.016 -14.038 -1.428 1.00 0.00 O ATOM 290 CB ARG A 385 -3.695 -12.430 -2.336 1.00 0.00 C ATOM 291 CG ARG A 385 -5.125 -12.884 -2.589 1.00 0.00 C ATOM 292 CD ARG A 385 -5.389 -13.102 -4.071 1.00 0.00 C ATOM 293 NE ARG A 385 -6.529 -12.321 -4.544 1.00 0.00 N ATOM 294 CZ ARG A 385 -7.798 -12.661 -4.338 1.00 0.00 C ATOM 295 NH1 ARG A 385 -8.095 -13.769 -3.668 1.00 0.00 N ATOM 296 NH2 ARG A 385 -8.775 -11.894 -4.802 1.00 0.00 N ATOM 0 H ARG A 385 -4.078 -11.278 -0.191 1.00 0.00 H new ATOM 0 HA ARG A 385 -3.485 -13.954 -0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 385 -3.663 -11.340 -2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 385 -3.064 -12.767 -3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 385 -5.315 -13.809 -2.045 1.00 0.00 H new ATOM 0 HG3 ARG A 385 -5.818 -12.138 -2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 385 -4.501 -12.829 -4.641 1.00 0.00 H new ATOM 0 HD3 ARG A 385 -5.573 -14.160 -4.255 1.00 0.00 H new ATOM 0 HE ARG A 385 -6.341 -11.464 -5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 385 -7.348 -14.363 -3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 385 -9.070 -14.025 -3.513 1.00 0.00 H new ATOM 0 HH21 ARG A 385 -8.554 -11.042 -5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 385 -9.748 -12.156 -4.643 1.00 0.00 H new ATOM 310 N ALA A 386 -0.948 -11.871 -0.823 1.00 0.00 N ATOM 311 CA ALA A 386 0.506 -11.788 -0.872 1.00 0.00 C ATOM 312 C ALA A 386 1.133 -12.384 0.383 1.00 0.00 C ATOM 313 O ALA A 386 2.241 -12.917 0.342 1.00 0.00 O ATOM 314 CB ALA A 386 0.946 -10.343 -1.049 1.00 0.00 C ATOM 0 H ALA A 386 -1.411 -11.002 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 386 0.850 -12.369 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 386 2.034 -10.296 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 386 0.536 -9.949 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 386 0.584 -9.747 -0.211 1.00 0.00 H new ATOM 320 N GLY A 387 0.417 -12.289 1.499 1.00 0.00 N ATOM 321 CA GLY A 387 0.920 -12.822 2.751 1.00 0.00 C ATOM 322 C GLY A 387 2.154 -12.089 3.239 1.00 0.00 C ATOM 323 O GLY A 387 3.245 -12.656 3.279 1.00 0.00 O ATOM 0 H GLY A 387 -0.503 -11.852 1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 387 0.140 -12.758 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 387 1.155 -13.879 2.624 1.00 0.00 H new ATOM 327 N ILE A 388 1.981 -10.825 3.609 1.00 0.00 N ATOM 328 CA ILE A 388 3.088 -10.013 4.096 1.00 0.00 C ATOM 329 C ILE A 388 2.634 -9.070 5.204 1.00 0.00 C ATOM 330 O ILE A 388 1.443 -8.971 5.499 1.00 0.00 O ATOM 331 CB ILE A 388 3.721 -9.185 2.961 1.00 0.00 C ATOM 332 CG1 ILE A 388 2.635 -8.456 2.167 1.00 0.00 C ATOM 333 CG2 ILE A 388 4.543 -10.081 2.047 1.00 0.00 C ATOM 334 CD1 ILE A 388 3.176 -7.387 1.243 1.00 0.00 C ATOM 0 H ILE A 388 1.084 -10.341 3.581 1.00 0.00 H new ATOM 0 HA ILE A 388 3.833 -10.703 4.492 1.00 0.00 H new ATOM 0 HB ILE A 388 4.385 -8.441 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 388 2.076 -9.184 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 388 1.931 -8.000 2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 388 4.984 -9.482 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 388 5.336 -10.559 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 388 3.899 -10.846 1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 388 2.350 -6.912 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 388 3.711 -6.638 1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 388 3.857 -7.840 0.523 1.00 0.00 H new ATOM 346 N SER A 389 3.590 -8.377 5.816 1.00 0.00 N ATOM 347 CA SER A 389 3.287 -7.440 6.891 1.00 0.00 C ATOM 348 C SER A 389 3.068 -6.034 6.343 1.00 0.00 C ATOM 349 O SER A 389 3.588 -5.681 5.284 1.00 0.00 O ATOM 350 CB SER A 389 4.420 -7.430 7.919 1.00 0.00 C ATOM 351 OG SER A 389 4.171 -8.354 8.964 1.00 0.00 O ATOM 0 H SER A 389 4.581 -8.447 5.585 1.00 0.00 H new ATOM 0 HA SER A 389 2.367 -7.767 7.376 1.00 0.00 H new ATOM 0 HB2 SER A 389 5.362 -7.676 7.429 1.00 0.00 H new ATOM 0 HB3 SER A 389 4.529 -6.428 8.334 1.00 0.00 H new ATOM 0 HG SER A 389 4.911 -8.329 9.606 1.00 0.00 H new ATOM 357 N GLN A 390 2.295 -5.235 7.071 1.00 0.00 N ATOM 358 CA GLN A 390 2.006 -3.866 6.657 1.00 0.00 C ATOM 359 C GLN A 390 3.290 -3.050 6.541 1.00 0.00 C ATOM 360 O GLN A 390 3.379 -2.126 5.733 1.00 0.00 O ATOM 361 CB GLN A 390 1.054 -3.201 7.652 1.00 0.00 C ATOM 362 CG GLN A 390 -0.355 -3.775 7.623 1.00 0.00 C ATOM 363 CD GLN A 390 -0.873 -4.119 9.005 1.00 0.00 C ATOM 364 OE1 GLN A 390 -0.200 -4.796 9.783 1.00 0.00 O ATOM 365 NE2 GLN A 390 -2.078 -3.656 9.319 1.00 0.00 N ATOM 0 H GLN A 390 1.858 -5.511 7.950 1.00 0.00 H new ATOM 0 HA GLN A 390 1.530 -3.902 5.677 1.00 0.00 H new ATOM 0 HB2 GLN A 390 1.460 -3.308 8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 390 1.007 -2.133 7.439 1.00 0.00 H new ATOM 0 HG2 GLN A 390 -1.027 -3.055 7.156 1.00 0.00 H new ATOM 0 HG3 GLN A 390 -0.366 -4.671 7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 390 -2.602 -3.099 8.644 1.00 0.00 H new ATOM 0 HE22 GLN A 390 -2.479 -3.858 10.235 1.00 0.00 H new ATOM 374 N ALA A 391 4.282 -3.397 7.355 1.00 0.00 N ATOM 375 CA ALA A 391 5.561 -2.696 7.342 1.00 0.00 C ATOM 376 C ALA A 391 6.218 -2.775 5.968 1.00 0.00 C ATOM 377 O ALA A 391 6.780 -1.793 5.481 1.00 0.00 O ATOM 378 CB ALA A 391 6.486 -3.271 8.406 1.00 0.00 C ATOM 0 H ALA A 391 4.225 -4.159 8.031 1.00 0.00 H new ATOM 0 HA ALA A 391 5.375 -1.645 7.565 1.00 0.00 H new ATOM 0 HB1 ALA A 391 7.438 -2.740 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 391 6.027 -3.157 9.388 1.00 0.00 H new ATOM 0 HB3 ALA A 391 6.657 -4.329 8.206 1.00 0.00 H new ATOM 384 N VAL A 392 6.146 -3.949 5.350 1.00 0.00 N ATOM 385 CA VAL A 392 6.735 -4.155 4.032 1.00 0.00 C ATOM 386 C VAL A 392 5.883 -3.513 2.942 1.00 0.00 C ATOM 387 O VAL A 392 6.383 -2.745 2.121 1.00 0.00 O ATOM 388 CB VAL A 392 6.904 -5.653 3.720 1.00 0.00 C ATOM 389 CG1 VAL A 392 7.682 -5.847 2.426 1.00 0.00 C ATOM 390 CG2 VAL A 392 7.592 -6.365 4.874 1.00 0.00 C ATOM 0 H VAL A 392 5.686 -4.772 5.740 1.00 0.00 H new ATOM 0 HA VAL A 392 7.717 -3.682 4.048 1.00 0.00 H new ATOM 0 HB VAL A 392 5.914 -6.091 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 392 7.791 -6.912 2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 392 7.145 -5.374 1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 392 8.668 -5.394 2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 392 7.703 -7.423 4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 392 8.576 -5.925 5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 392 6.992 -6.258 5.777 1.00 0.00 H new ATOM 400 N PHE A 393 4.593 -3.834 2.940 1.00 0.00 N ATOM 401 CA PHE A 393 3.669 -3.291 1.951 1.00 0.00 C ATOM 402 C PHE A 393 3.666 -1.765 1.985 1.00 0.00 C ATOM 403 O PHE A 393 3.419 -1.112 0.970 1.00 0.00 O ATOM 404 CB PHE A 393 2.255 -3.819 2.199 1.00 0.00 C ATOM 405 CG PHE A 393 1.267 -3.413 1.143 1.00 0.00 C ATOM 406 CD1 PHE A 393 0.781 -2.115 1.092 1.00 0.00 C ATOM 407 CD2 PHE A 393 0.827 -4.327 0.200 1.00 0.00 C ATOM 408 CE1 PHE A 393 -0.127 -1.739 0.121 1.00 0.00 C ATOM 409 CE2 PHE A 393 -0.082 -3.957 -0.774 1.00 0.00 C ATOM 410 CZ PHE A 393 -0.559 -2.661 -0.813 1.00 0.00 C ATOM 0 H PHE A 393 4.164 -4.468 3.613 1.00 0.00 H new ATOM 0 HA PHE A 393 4.004 -3.614 0.965 1.00 0.00 H new ATOM 0 HB2 PHE A 393 2.287 -4.907 2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 393 1.907 -3.460 3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 393 1.116 -1.390 1.819 1.00 0.00 H new ATOM 0 HD2 PHE A 393 1.198 -5.341 0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 393 -0.499 -0.725 0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 393 -0.418 -4.680 -1.503 1.00 0.00 H new ATOM 0 HZ PHE A 393 -1.269 -2.369 -1.573 1.00 0.00 H new ATOM 420 N ALA A 394 3.941 -1.201 3.157 1.00 0.00 N ATOM 421 CA ALA A 394 3.970 0.247 3.319 1.00 0.00 C ATOM 422 C ALA A 394 5.183 0.856 2.622 1.00 0.00 C ATOM 423 O ALA A 394 5.065 1.852 1.909 1.00 0.00 O ATOM 424 CB ALA A 394 3.971 0.612 4.797 1.00 0.00 C ATOM 0 H ALA A 394 4.147 -1.725 4.008 1.00 0.00 H new ATOM 0 HA ALA A 394 3.074 0.657 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 394 3.993 1.697 4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 394 3.071 0.219 5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 394 4.850 0.182 5.277 1.00 0.00 H new ATOM 430 N ARG A 395 6.347 0.250 2.834 1.00 0.00 N ATOM 431 CA ARG A 395 7.581 0.734 2.225 1.00 0.00 C ATOM 432 C ARG A 395 7.490 0.692 0.703 1.00 0.00 C ATOM 433 O ARG A 395 7.810 1.670 0.026 1.00 0.00 O ATOM 434 CB ARG A 395 8.771 -0.101 2.700 1.00 0.00 C ATOM 435 CG ARG A 395 10.075 0.678 2.766 1.00 0.00 C ATOM 436 CD ARG A 395 11.268 -0.200 2.428 1.00 0.00 C ATOM 437 NE ARG A 395 12.535 0.509 2.593 1.00 0.00 N ATOM 438 CZ ARG A 395 13.729 -0.064 2.456 1.00 0.00 C ATOM 439 NH1 ARG A 395 13.823 -1.354 2.154 1.00 0.00 N ATOM 440 NH2 ARG A 395 14.831 0.654 2.622 1.00 0.00 N ATOM 0 H ARG A 395 6.462 -0.576 3.422 1.00 0.00 H new ATOM 0 HA ARG A 395 7.727 1.769 2.533 1.00 0.00 H new ATOM 0 HB2 ARG A 395 8.549 -0.505 3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 395 8.899 -0.950 2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 395 10.033 1.518 2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 395 10.201 1.095 3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 395 11.261 -1.083 3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 395 11.180 -0.550 1.400 1.00 0.00 H new ATOM 0 HE ARG A 395 12.503 1.501 2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 395 12.978 -1.911 2.026 1.00 0.00 H new ATOM 0 HH12 ARG A 395 14.740 -1.788 2.050 1.00 0.00 H new ATOM 0 HH21 ARG A 395 14.764 1.645 2.855 1.00 0.00 H new ATOM 0 HH22 ARG A 395 15.746 0.216 2.517 1.00 0.00 H new ATOM 454 N VAL A 396 7.053 -0.444 0.171 1.00 0.00 N ATOM 455 CA VAL A 396 6.922 -0.612 -1.272 1.00 0.00 C ATOM 456 C VAL A 396 5.819 0.281 -1.834 1.00 0.00 C ATOM 457 O VAL A 396 5.864 0.684 -2.995 1.00 0.00 O ATOM 458 CB VAL A 396 6.621 -2.076 -1.644 1.00 0.00 C ATOM 459 CG1 VAL A 396 7.812 -2.965 -1.325 1.00 0.00 C ATOM 460 CG2 VAL A 396 5.372 -2.566 -0.925 1.00 0.00 C ATOM 0 H VAL A 396 6.783 -1.262 0.717 1.00 0.00 H new ATOM 0 HA VAL A 396 7.877 -0.323 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 396 6.437 -2.127 -2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.580 -3.995 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 396 8.680 -2.628 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.032 -2.910 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 396 5.176 -3.602 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 396 5.523 -2.500 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 396 4.521 -1.947 -1.211 1.00 0.00 H new ATOM 470 N ALA A 397 4.826 0.585 -1.000 1.00 0.00 N ATOM 471 CA ALA A 397 3.715 1.429 -1.417 1.00 0.00 C ATOM 472 C ALA A 397 4.055 2.907 -1.258 1.00 0.00 C ATOM 473 O ALA A 397 4.338 3.597 -2.236 1.00 0.00 O ATOM 474 CB ALA A 397 2.464 1.084 -0.619 1.00 0.00 C ATOM 0 H ALA A 397 4.771 0.259 -0.035 1.00 0.00 H new ATOM 0 HA ALA A 397 3.525 1.240 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 397 1.640 1.722 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 397 2.201 0.040 -0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 397 2.654 1.243 0.442 1.00 0.00 H new ATOM 480 N PHE A 398 4.025 3.386 -0.017 1.00 0.00 N ATOM 481 CA PHE A 398 4.331 4.782 0.270 1.00 0.00 C ATOM 482 C PHE A 398 5.436 4.892 1.316 1.00 0.00 C ATOM 483 O PHE A 398 5.279 4.435 2.449 1.00 0.00 O ATOM 484 CB PHE A 398 3.078 5.512 0.756 1.00 0.00 C ATOM 485 CG PHE A 398 2.433 4.869 1.951 1.00 0.00 C ATOM 486 CD1 PHE A 398 1.699 3.701 1.813 1.00 0.00 C ATOM 487 CD2 PHE A 398 2.562 5.430 3.210 1.00 0.00 C ATOM 488 CE1 PHE A 398 1.104 3.106 2.910 1.00 0.00 C ATOM 489 CE2 PHE A 398 1.970 4.841 4.311 1.00 0.00 C ATOM 490 CZ PHE A 398 1.240 3.677 4.160 1.00 0.00 C ATOM 0 H PHE A 398 3.792 2.828 0.804 1.00 0.00 H new ATOM 0 HA PHE A 398 4.679 5.248 -0.652 1.00 0.00 H new ATOM 0 HB2 PHE A 398 3.340 6.540 1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 398 2.354 5.555 -0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 398 1.591 3.251 0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 398 3.132 6.339 3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 398 0.534 2.197 2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 398 2.078 5.289 5.288 1.00 0.00 H new ATOM 0 HZ PHE A 398 0.776 3.215 5.019 1.00 0.00 H new ATOM 500 N ASN A 399 6.552 5.499 0.931 1.00 0.00 N ATOM 501 CA ASN A 399 7.683 5.668 1.835 1.00 0.00 C ATOM 502 C ASN A 399 7.396 6.755 2.866 1.00 0.00 C ATOM 503 O ASN A 399 7.380 7.943 2.542 1.00 0.00 O ATOM 504 CB ASN A 399 8.947 6.016 1.048 1.00 0.00 C ATOM 505 CG ASN A 399 9.734 4.784 0.644 1.00 0.00 C ATOM 506 OD1 ASN A 399 9.602 4.288 -0.474 1.00 0.00 O ATOM 507 ND2 ASN A 399 10.558 4.284 1.557 1.00 0.00 N ATOM 0 H ASN A 399 6.698 5.883 -0.003 1.00 0.00 H new ATOM 0 HA ASN A 399 7.840 4.726 2.360 1.00 0.00 H new ATOM 0 HB2 ASN A 399 8.673 6.578 0.155 1.00 0.00 H new ATOM 0 HB3 ASN A 399 9.580 6.666 1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 399 11.113 3.456 1.344 1.00 0.00 H new ATOM 0 HD22 ASN A 399 10.636 4.728 2.472 1.00 0.00 H new ATOM 514 N ARG A 400 7.171 6.340 4.108 1.00 0.00 N ATOM 515 CA ARG A 400 6.886 7.279 5.188 1.00 0.00 C ATOM 516 C ARG A 400 7.286 6.692 6.538 1.00 0.00 C ATOM 517 O ARG A 400 8.248 7.141 7.160 1.00 0.00 O ATOM 518 CB ARG A 400 5.399 7.642 5.194 1.00 0.00 C ATOM 519 CG ARG A 400 5.031 8.674 6.248 1.00 0.00 C ATOM 520 CD ARG A 400 5.494 10.065 5.852 1.00 0.00 C ATOM 521 NE ARG A 400 4.785 10.565 4.676 1.00 0.00 N ATOM 522 CZ ARG A 400 4.945 11.788 4.176 1.00 0.00 C ATOM 523 NH1 ARG A 400 5.790 12.638 4.747 1.00 0.00 N ATOM 524 NH2 ARG A 400 4.261 12.161 3.104 1.00 0.00 N ATOM 0 H ARG A 400 7.180 5.360 4.392 1.00 0.00 H new ATOM 0 HA ARG A 400 7.473 8.182 5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 400 5.122 8.024 4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 400 4.813 6.738 5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 400 3.951 8.677 6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 400 5.481 8.398 7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 400 5.340 10.749 6.686 1.00 0.00 H new ATOM 0 HD3 ARG A 400 6.565 10.046 5.649 1.00 0.00 H new ATOM 0 HE ARG A 400 4.128 9.939 4.210 1.00 0.00 H new ATOM 0 HH11 ARG A 400 6.319 12.355 5.572 1.00 0.00 H new ATOM 0 HH12 ARG A 400 5.910 13.574 4.361 1.00 0.00 H new ATOM 0 HH21 ARG A 400 3.612 11.511 2.662 1.00 0.00 H new ATOM 0 HH22 ARG A 400 4.384 13.098 2.721 1.00 0.00 H new ATOM 538 N THR A 401 6.539 5.689 6.986 1.00 0.00 N ATOM 539 CA THR A 401 6.815 5.041 8.262 1.00 0.00 C ATOM 540 C THR A 401 5.979 3.777 8.428 1.00 0.00 C ATOM 541 O THR A 401 4.800 3.750 8.079 1.00 0.00 O ATOM 542 CB THR A 401 6.536 5.988 9.446 1.00 0.00 C ATOM 543 OG1 THR A 401 6.571 5.258 10.677 1.00 0.00 O ATOM 544 CG2 THR A 401 5.180 6.662 9.290 1.00 0.00 C ATOM 0 H THR A 401 5.737 5.307 6.484 1.00 0.00 H new ATOM 0 HA THR A 401 7.872 4.777 8.260 1.00 0.00 H new ATOM 0 HB THR A 401 7.309 6.757 9.458 1.00 0.00 H new ATOM 0 HG1 THR A 401 6.395 5.867 11.424 1.00 0.00 H new ATOM 0 HG21 THR A 401 5.004 7.326 10.137 1.00 0.00 H new ATOM 0 HG22 THR A 401 5.165 7.240 8.366 1.00 0.00 H new ATOM 0 HG23 THR A 401 4.398 5.903 9.255 1.00 0.00 H new ATOM 552 N GLN A 402 6.598 2.731 8.966 1.00 0.00 N ATOM 553 CA GLN A 402 5.910 1.464 9.181 1.00 0.00 C ATOM 554 C GLN A 402 4.922 1.570 10.339 1.00 0.00 C ATOM 555 O GLN A 402 5.162 1.041 11.425 1.00 0.00 O ATOM 556 CB GLN A 402 6.921 0.349 9.456 1.00 0.00 C ATOM 557 CG GLN A 402 7.773 0.592 10.690 1.00 0.00 C ATOM 558 CD GLN A 402 9.189 0.070 10.534 1.00 0.00 C ATOM 559 OE1 GLN A 402 9.672 -0.118 9.418 1.00 0.00 O ATOM 560 NE2 GLN A 402 9.859 -0.167 11.655 1.00 0.00 N ATOM 0 H GLN A 402 7.574 2.736 9.261 1.00 0.00 H new ATOM 0 HA GLN A 402 5.354 1.224 8.275 1.00 0.00 H new ATOM 0 HB2 GLN A 402 6.387 -0.594 9.573 1.00 0.00 H new ATOM 0 HB3 GLN A 402 7.574 0.240 8.590 1.00 0.00 H new ATOM 0 HG2 GLN A 402 7.805 1.661 10.900 1.00 0.00 H new ATOM 0 HG3 GLN A 402 7.306 0.112 11.550 1.00 0.00 H new ATOM 0 HE21 GLN A 402 9.418 0.004 12.559 1.00 0.00 H new ATOM 0 HE22 GLN A 402 10.815 -0.520 11.613 1.00 0.00 H new ATOM 569 N GLY A 403 3.810 2.259 10.099 1.00 0.00 N ATOM 570 CA GLY A 403 2.802 2.423 11.129 1.00 0.00 C ATOM 571 C GLY A 403 1.608 3.224 10.651 1.00 0.00 C ATOM 572 O GLY A 403 0.469 2.931 11.012 1.00 0.00 O ATOM 0 H GLY A 403 3.590 2.706 9.209 1.00 0.00 H new ATOM 0 HA2 GLY A 403 2.466 1.441 11.464 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.246 2.919 11.992 1.00 0.00 H new ATOM 576 N LEU A 404 1.870 4.239 9.833 1.00 0.00 N ATOM 577 CA LEU A 404 0.808 5.086 9.302 1.00 0.00 C ATOM 578 C LEU A 404 -0.167 4.273 8.456 1.00 0.00 C ATOM 579 O LEU A 404 -1.348 4.606 8.361 1.00 0.00 O ATOM 580 CB LEU A 404 1.403 6.222 8.467 1.00 0.00 C ATOM 581 CG LEU A 404 0.460 7.397 8.207 1.00 0.00 C ATOM 582 CD1 LEU A 404 0.353 8.278 9.442 1.00 0.00 C ATOM 583 CD2 LEU A 404 0.935 8.207 7.011 1.00 0.00 C ATOM 0 H LEU A 404 2.808 4.495 9.524 1.00 0.00 H new ATOM 0 HA LEU A 404 0.261 5.511 10.144 1.00 0.00 H new ATOM 0 HB2 LEU A 404 2.294 6.596 8.972 1.00 0.00 H new ATOM 0 HB3 LEU A 404 1.727 5.817 7.508 1.00 0.00 H new ATOM 0 HG LEU A 404 -0.530 7.001 7.981 1.00 0.00 H new ATOM 0 HD11 LEU A 404 -0.322 9.109 9.239 1.00 0.00 H new ATOM 0 HD12 LEU A 404 -0.034 7.691 10.275 1.00 0.00 H new ATOM 0 HD13 LEU A 404 1.339 8.666 9.699 1.00 0.00 H new ATOM 0 HD21 LEU A 404 0.252 9.039 6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 404 1.935 8.593 7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 404 0.959 7.570 6.127 1.00 0.00 H new ATOM 595 N LEU A 405 0.335 3.205 7.844 1.00 0.00 N ATOM 596 CA LEU A 405 -0.492 2.344 7.006 1.00 0.00 C ATOM 597 C LEU A 405 -1.677 1.791 7.793 1.00 0.00 C ATOM 598 O LEU A 405 -2.778 1.652 7.261 1.00 0.00 O ATOM 599 CB LEU A 405 0.342 1.192 6.443 1.00 0.00 C ATOM 600 CG LEU A 405 -0.317 0.413 5.302 1.00 0.00 C ATOM 601 CD1 LEU A 405 0.726 -0.043 4.294 1.00 0.00 C ATOM 602 CD2 LEU A 405 -1.089 -0.778 5.848 1.00 0.00 C ATOM 0 H LEU A 405 1.311 2.915 7.913 1.00 0.00 H new ATOM 0 HA LEU A 405 -0.876 2.944 6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 405 1.293 1.591 6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 405 0.569 0.498 7.253 1.00 0.00 H new ATOM 0 HG LEU A 405 -1.018 1.074 4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 405 0.238 -0.595 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 405 1.236 0.827 3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 405 1.452 -0.688 4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 405 -1.551 -1.321 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 405 -0.407 -1.440 6.381 1.00 0.00 H new ATOM 0 HD23 LEU A 405 -1.863 -0.428 6.531 1.00 0.00 H new ATOM 614 N SER A 406 -1.443 1.479 9.063 1.00 0.00 N ATOM 615 CA SER A 406 -2.489 0.943 9.924 1.00 0.00 C ATOM 616 C SER A 406 -3.495 2.028 10.297 1.00 0.00 C ATOM 617 O SER A 406 -4.700 1.785 10.334 1.00 0.00 O ATOM 618 CB SER A 406 -1.879 0.340 11.191 1.00 0.00 C ATOM 619 OG SER A 406 -1.200 1.326 11.950 1.00 0.00 O ATOM 0 H SER A 406 -0.537 1.588 9.519 1.00 0.00 H new ATOM 0 HA SER A 406 -3.012 0.161 9.374 1.00 0.00 H new ATOM 0 HB2 SER A 406 -2.664 -0.112 11.797 1.00 0.00 H new ATOM 0 HB3 SER A 406 -1.186 -0.457 10.921 1.00 0.00 H new ATOM 0 HG SER A 406 -0.393 1.609 11.471 1.00 0.00 H new ATOM 625 N GLU A 407 -2.990 3.226 10.572 1.00 0.00 N ATOM 626 CA GLU A 407 -3.842 4.349 10.942 1.00 0.00 C ATOM 627 C GLU A 407 -4.781 4.717 9.798 1.00 0.00 C ATOM 628 O GLU A 407 -5.962 4.992 10.014 1.00 0.00 O ATOM 629 CB GLU A 407 -2.990 5.560 11.328 1.00 0.00 C ATOM 630 CG GLU A 407 -3.807 6.765 11.762 1.00 0.00 C ATOM 631 CD GLU A 407 -3.256 7.423 13.012 1.00 0.00 C ATOM 632 OE1 GLU A 407 -2.068 7.201 13.326 1.00 0.00 O ATOM 633 OE2 GLU A 407 -4.013 8.162 13.678 1.00 0.00 O ATOM 0 H GLU A 407 -1.994 3.444 10.545 1.00 0.00 H new ATOM 0 HA GLU A 407 -4.443 4.049 11.801 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -2.317 5.277 12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -2.367 5.841 10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -3.831 7.494 10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -4.836 6.456 11.942 1.00 0.00 H new ATOM 640 N ILE A 408 -4.250 4.720 8.580 1.00 0.00 N ATOM 641 CA ILE A 408 -5.042 5.055 7.402 1.00 0.00 C ATOM 642 C ILE A 408 -6.092 3.984 7.128 1.00 0.00 C ATOM 643 O ILE A 408 -7.198 4.285 6.679 1.00 0.00 O ATOM 644 CB ILE A 408 -4.152 5.219 6.153 1.00 0.00 C ATOM 645 CG1 ILE A 408 -3.003 6.187 6.440 1.00 0.00 C ATOM 646 CG2 ILE A 408 -4.980 5.706 4.972 1.00 0.00 C ATOM 647 CD1 ILE A 408 -1.753 5.894 5.637 1.00 0.00 C ATOM 0 H ILE A 408 -3.275 4.494 8.383 1.00 0.00 H new ATOM 0 HA ILE A 408 -5.537 6.003 7.611 1.00 0.00 H new ATOM 0 HB ILE A 408 -3.728 4.248 5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 408 -3.333 7.204 6.226 1.00 0.00 H new ATOM 0 HG13 ILE A 408 -2.761 6.147 7.502 1.00 0.00 H new ATOM 0 HG21 ILE A 408 -4.338 5.817 4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 408 -5.766 4.982 4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 408 -5.430 6.668 5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 408 -0.979 6.619 5.891 1.00 0.00 H new ATOM 0 HD12 ILE A 408 -1.399 4.889 5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 408 -1.980 5.963 4.573 1.00 0.00 H new ATOM 659 N LEU A 409 -5.740 2.732 7.403 1.00 0.00 N ATOM 660 CA LEU A 409 -6.652 1.617 7.186 1.00 0.00 C ATOM 661 C LEU A 409 -7.715 1.564 8.281 1.00 0.00 C ATOM 662 O LEU A 409 -8.860 1.189 8.031 1.00 0.00 O ATOM 663 CB LEU A 409 -5.878 0.298 7.145 1.00 0.00 C ATOM 664 CG LEU A 409 -5.163 0.009 5.825 1.00 0.00 C ATOM 665 CD1 LEU A 409 -4.398 -1.305 5.909 1.00 0.00 C ATOM 666 CD2 LEU A 409 -6.160 -0.027 4.676 1.00 0.00 C ATOM 0 H LEU A 409 -4.829 2.465 7.777 1.00 0.00 H new ATOM 0 HA LEU A 409 -7.150 1.767 6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 409 -5.140 0.302 7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 409 -6.570 -0.518 7.352 1.00 0.00 H new ATOM 0 HG LEU A 409 -4.449 0.811 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 409 -3.895 -1.495 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 409 -3.657 -1.245 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 409 -5.093 -2.118 6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 409 -5.634 -0.234 3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 409 -6.897 -0.809 4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 409 -6.664 0.936 4.602 1.00 0.00 H new ATOM 678 N ARG A 410 -7.325 1.939 9.495 1.00 0.00 N ATOM 679 CA ARG A 410 -8.243 1.935 10.626 1.00 0.00 C ATOM 680 C ARG A 410 -9.307 3.015 10.467 1.00 0.00 C ATOM 681 O ARG A 410 -10.484 2.787 10.750 1.00 0.00 O ATOM 682 CB ARG A 410 -7.475 2.145 11.933 1.00 0.00 C ATOM 683 CG ARG A 410 -7.946 1.250 13.066 1.00 0.00 C ATOM 684 CD ARG A 410 -7.400 1.712 14.408 1.00 0.00 C ATOM 685 NE ARG A 410 -5.947 1.576 14.484 1.00 0.00 N ATOM 686 CZ ARG A 410 -5.190 2.215 15.373 1.00 0.00 C ATOM 687 NH1 ARG A 410 -5.741 3.032 16.262 1.00 0.00 N ATOM 688 NH2 ARG A 410 -3.875 2.035 15.373 1.00 0.00 N ATOM 0 H ARG A 410 -6.380 2.249 9.720 1.00 0.00 H new ATOM 0 HA ARG A 410 -8.739 0.965 10.657 1.00 0.00 H new ATOM 0 HB2 ARG A 410 -6.415 1.964 11.755 1.00 0.00 H new ATOM 0 HB3 ARG A 410 -7.573 3.187 12.239 1.00 0.00 H new ATOM 0 HG2 ARG A 410 -9.036 1.245 13.098 1.00 0.00 H new ATOM 0 HG3 ARG A 410 -7.628 0.225 12.877 1.00 0.00 H new ATOM 0 HD2 ARG A 410 -7.676 2.754 14.572 1.00 0.00 H new ATOM 0 HD3 ARG A 410 -7.861 1.130 15.206 1.00 0.00 H new ATOM 0 HE ARG A 410 -5.487 0.956 13.818 1.00 0.00 H new ATOM 0 HH11 ARG A 410 -6.751 3.174 16.267 1.00 0.00 H new ATOM 0 HH12 ARG A 410 -5.154 3.518 16.940 1.00 0.00 H new ATOM 0 HH21 ARG A 410 -3.446 1.408 14.692 1.00 0.00 H new ATOM 0 HH22 ARG A 410 -3.293 2.524 16.054 1.00 0.00 H new ATOM 702 N LYS A 411 -8.887 4.191 10.011 1.00 0.00 N ATOM 703 CA LYS A 411 -9.805 5.306 9.813 1.00 0.00 C ATOM 704 C LYS A 411 -10.888 4.946 8.801 1.00 0.00 C ATOM 705 O LYS A 411 -12.027 5.399 8.910 1.00 0.00 O ATOM 706 CB LYS A 411 -9.042 6.546 9.341 1.00 0.00 C ATOM 707 CG LYS A 411 -8.063 7.087 10.373 1.00 0.00 C ATOM 708 CD LYS A 411 -8.354 8.539 10.714 1.00 0.00 C ATOM 709 CE LYS A 411 -7.425 9.484 9.968 1.00 0.00 C ATOM 710 NZ LYS A 411 -7.263 10.780 10.681 1.00 0.00 N ATOM 0 H LYS A 411 -7.917 4.396 9.772 1.00 0.00 H new ATOM 0 HA LYS A 411 -10.283 5.524 10.768 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -8.498 6.302 8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -9.758 7.328 9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -8.117 6.482 11.278 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -7.046 6.999 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -9.389 8.772 10.464 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -8.243 8.691 11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -6.450 9.013 9.845 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -7.819 9.666 8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -6.623 11.396 10.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -8.190 11.242 10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -6.863 10.609 11.626 1.00 0.00 H new ATOM 724 N GLU A 412 -10.520 4.127 7.816 1.00 0.00 N ATOM 725 CA GLU A 412 -11.452 3.695 6.775 1.00 0.00 C ATOM 726 C GLU A 412 -12.294 4.861 6.262 1.00 0.00 C ATOM 727 O GLU A 412 -13.448 4.682 5.871 1.00 0.00 O ATOM 728 CB GLU A 412 -12.363 2.584 7.301 1.00 0.00 C ATOM 729 CG GLU A 412 -13.186 2.988 8.514 1.00 0.00 C ATOM 730 CD GLU A 412 -14.216 1.943 8.895 1.00 0.00 C ATOM 731 OE1 GLU A 412 -14.728 1.257 7.988 1.00 0.00 O ATOM 732 OE2 GLU A 412 -14.510 1.812 10.102 1.00 0.00 O ATOM 0 H GLU A 412 -9.578 3.748 7.717 1.00 0.00 H new ATOM 0 HA GLU A 412 -10.863 3.310 5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 412 -13.037 2.272 6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 412 -11.753 1.718 7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 412 -12.520 3.161 9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 412 -13.691 3.932 8.308 1.00 0.00 H new ATOM 739 N GLU A 413 -11.709 6.055 6.267 1.00 0.00 N ATOM 740 CA GLU A 413 -12.404 7.248 5.801 1.00 0.00 C ATOM 741 C GLU A 413 -12.157 7.476 4.314 1.00 0.00 C ATOM 742 O GLU A 413 -11.027 7.366 3.838 1.00 0.00 O ATOM 743 CB GLU A 413 -11.953 8.472 6.604 1.00 0.00 C ATOM 744 CG GLU A 413 -13.047 9.064 7.477 1.00 0.00 C ATOM 745 CD GLU A 413 -12.807 8.827 8.955 1.00 0.00 C ATOM 746 OE1 GLU A 413 -13.186 7.746 9.452 1.00 0.00 O ATOM 747 OE2 GLU A 413 -12.243 9.724 9.617 1.00 0.00 O ATOM 0 H GLU A 413 -10.755 6.221 6.589 1.00 0.00 H new ATOM 0 HA GLU A 413 -13.473 7.099 5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -11.109 8.192 7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -11.596 9.237 5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -13.115 10.136 7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -14.006 8.630 7.195 1.00 0.00 H new ATOM 754 N ASP A 414 -13.221 7.795 3.583 1.00 0.00 N ATOM 755 CA ASP A 414 -13.116 8.038 2.149 1.00 0.00 C ATOM 756 C ASP A 414 -12.310 9.306 1.868 1.00 0.00 C ATOM 757 O ASP A 414 -12.384 10.277 2.621 1.00 0.00 O ATOM 758 CB ASP A 414 -14.510 8.158 1.528 1.00 0.00 C ATOM 759 CG ASP A 414 -15.378 9.171 2.248 1.00 0.00 C ATOM 760 OD1 ASP A 414 -16.028 8.792 3.246 1.00 0.00 O ATOM 761 OD2 ASP A 414 -15.410 10.341 1.814 1.00 0.00 O ATOM 0 H ASP A 414 -14.164 7.891 3.960 1.00 0.00 H new ATOM 0 HA ASP A 414 -12.596 7.192 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -14.415 8.444 0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -14.999 7.184 1.549 1.00 0.00 H new ATOM 766 N PRO A 415 -11.525 9.311 0.776 1.00 0.00 N ATOM 767 CA PRO A 415 -10.704 10.465 0.401 1.00 0.00 C ATOM 768 C PRO A 415 -11.514 11.570 -0.277 1.00 0.00 C ATOM 769 O PRO A 415 -10.969 12.611 -0.642 1.00 0.00 O ATOM 770 CB PRO A 415 -9.699 9.865 -0.579 1.00 0.00 C ATOM 771 CG PRO A 415 -10.432 8.737 -1.222 1.00 0.00 C ATOM 772 CD PRO A 415 -11.376 8.195 -0.178 1.00 0.00 C ATOM 0 HA PRO A 415 -10.252 10.944 1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 415 -9.376 10.600 -1.316 1.00 0.00 H new ATOM 0 HB3 PRO A 415 -8.804 9.515 -0.065 1.00 0.00 H new ATOM 0 HG2 PRO A 415 -10.979 9.079 -2.100 1.00 0.00 H new ATOM 0 HG3 PRO A 415 -9.740 7.965 -1.558 1.00 0.00 H new ATOM 0 HD2 PRO A 415 -12.334 7.911 -0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 415 -10.970 7.307 0.306 1.00 0.00 H new ATOM 780 N LYS A 416 -12.813 11.339 -0.444 1.00 0.00 N ATOM 781 CA LYS A 416 -13.688 12.318 -1.079 1.00 0.00 C ATOM 782 C LYS A 416 -13.801 13.581 -0.231 1.00 0.00 C ATOM 783 O LYS A 416 -13.869 14.690 -0.760 1.00 0.00 O ATOM 784 CB LYS A 416 -15.075 11.718 -1.312 1.00 0.00 C ATOM 785 CG LYS A 416 -15.110 10.676 -2.418 1.00 0.00 C ATOM 786 CD LYS A 416 -16.531 10.229 -2.717 1.00 0.00 C ATOM 787 CE LYS A 416 -17.086 10.923 -3.950 1.00 0.00 C ATOM 788 NZ LYS A 416 -16.868 10.120 -5.185 1.00 0.00 N ATOM 0 H LYS A 416 -13.282 10.483 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 416 -13.251 12.588 -2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -15.425 11.264 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -15.772 12.520 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -14.659 11.087 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -14.510 9.814 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -16.550 9.149 -2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -17.169 10.443 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -18.153 11.101 -3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -16.611 11.898 -4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -17.261 10.628 -6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -15.849 9.971 -5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -17.342 9.199 -5.089 1.00 0.00 H new ATOM 802 N THR A 417 -13.824 13.404 1.086 1.00 0.00 N ATOM 803 CA THR A 417 -13.932 14.532 2.006 1.00 0.00 C ATOM 804 C THR A 417 -12.772 14.551 2.997 1.00 0.00 C ATOM 805 O THR A 417 -12.897 15.082 4.101 1.00 0.00 O ATOM 806 CB THR A 417 -15.259 14.494 2.786 1.00 0.00 C ATOM 807 OG1 THR A 417 -15.638 13.137 3.043 1.00 0.00 O ATOM 808 CG2 THR A 417 -16.363 15.198 2.011 1.00 0.00 C ATOM 0 H THR A 417 -13.769 12.492 1.540 1.00 0.00 H new ATOM 0 HA THR A 417 -13.900 15.437 1.400 1.00 0.00 H new ATOM 0 HB THR A 417 -15.114 15.015 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 417 -16.482 13.122 3.541 1.00 0.00 H new ATOM 0 HG21 THR A 417 -17.291 15.158 2.582 1.00 0.00 H new ATOM 0 HG22 THR A 417 -16.084 16.238 1.844 1.00 0.00 H new ATOM 0 HG23 THR A 417 -16.506 14.702 1.051 1.00 0.00 H new ATOM 816 N ALA A 418 -11.645 13.970 2.598 1.00 0.00 N ATOM 817 CA ALA A 418 -10.465 13.925 3.454 1.00 0.00 C ATOM 818 C ALA A 418 -9.461 15.002 3.062 1.00 0.00 C ATOM 819 O ALA A 418 -9.648 15.709 2.071 1.00 0.00 O ATOM 820 CB ALA A 418 -9.818 12.548 3.387 1.00 0.00 C ATOM 0 H ALA A 418 -11.524 13.524 1.688 1.00 0.00 H new ATOM 0 HA ALA A 418 -10.782 14.117 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 418 -8.938 12.528 4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 418 -10.531 11.794 3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 418 -9.521 12.335 2.360 1.00 0.00 H new ATOM 826 N SER A 419 -8.392 15.122 3.843 1.00 0.00 N ATOM 827 CA SER A 419 -7.357 16.114 3.575 1.00 0.00 C ATOM 828 C SER A 419 -6.569 15.750 2.321 1.00 0.00 C ATOM 829 O SER A 419 -6.737 14.667 1.763 1.00 0.00 O ATOM 830 CB SER A 419 -6.410 16.230 4.772 1.00 0.00 C ATOM 831 OG SER A 419 -7.078 16.772 5.900 1.00 0.00 O ATOM 0 H SER A 419 -8.220 14.545 4.666 1.00 0.00 H new ATOM 0 HA SER A 419 -7.843 17.076 3.411 1.00 0.00 H new ATOM 0 HB2 SER A 419 -6.010 15.247 5.020 1.00 0.00 H new ATOM 0 HB3 SER A 419 -5.562 16.862 4.509 1.00 0.00 H new ATOM 0 HG SER A 419 -6.452 16.834 6.652 1.00 0.00 H new ATOM 837 N GLN A 420 -5.708 16.664 1.883 1.00 0.00 N ATOM 838 CA GLN A 420 -4.893 16.438 0.696 1.00 0.00 C ATOM 839 C GLN A 420 -3.764 15.456 0.989 1.00 0.00 C ATOM 840 O GLN A 420 -3.348 14.694 0.115 1.00 0.00 O ATOM 841 CB GLN A 420 -4.316 17.761 0.187 1.00 0.00 C ATOM 842 CG GLN A 420 -3.473 18.493 1.218 1.00 0.00 C ATOM 843 CD GLN A 420 -2.743 19.685 0.632 1.00 0.00 C ATOM 844 OE1 GLN A 420 -3.058 20.835 0.939 1.00 0.00 O ATOM 845 NE2 GLN A 420 -1.758 19.417 -0.219 1.00 0.00 N ATOM 0 H GLN A 420 -5.557 17.567 2.333 1.00 0.00 H new ATOM 0 HA GLN A 420 -5.532 16.008 -0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 420 -3.707 17.567 -0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 420 -5.135 18.408 -0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 420 -4.113 18.829 2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 420 -2.747 17.801 1.646 1.00 0.00 H new ATOM 0 HE21 GLN A 420 -1.529 18.449 -0.446 1.00 0.00 H new ATOM 0 HE22 GLN A 420 -1.231 20.179 -0.645 1.00 0.00 H new ATOM 854 N SER A 421 -3.274 15.478 2.223 1.00 0.00 N ATOM 855 CA SER A 421 -2.192 14.589 2.632 1.00 0.00 C ATOM 856 C SER A 421 -2.609 13.128 2.501 1.00 0.00 C ATOM 857 O SER A 421 -1.828 12.286 2.062 1.00 0.00 O ATOM 858 CB SER A 421 -1.777 14.887 4.075 1.00 0.00 C ATOM 859 OG SER A 421 -0.989 16.062 4.147 1.00 0.00 O ATOM 0 H SER A 421 -3.608 16.101 2.958 1.00 0.00 H new ATOM 0 HA SER A 421 -1.342 14.765 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 421 -2.666 15.003 4.696 1.00 0.00 H new ATOM 0 HB3 SER A 421 -1.215 14.044 4.477 1.00 0.00 H new ATOM 0 HG SER A 421 -0.738 16.231 5.079 1.00 0.00 H new ATOM 865 N LEU A 422 -3.847 12.835 2.889 1.00 0.00 N ATOM 866 CA LEU A 422 -4.368 11.475 2.815 1.00 0.00 C ATOM 867 C LEU A 422 -4.562 11.043 1.366 1.00 0.00 C ATOM 868 O LEU A 422 -4.255 9.909 0.999 1.00 0.00 O ATOM 869 CB LEU A 422 -5.695 11.374 3.571 1.00 0.00 C ATOM 870 CG LEU A 422 -6.328 9.982 3.583 1.00 0.00 C ATOM 871 CD1 LEU A 422 -5.468 9.012 4.380 1.00 0.00 C ATOM 872 CD2 LEU A 422 -7.737 10.043 4.157 1.00 0.00 C ATOM 0 H LEU A 422 -4.507 13.520 3.257 1.00 0.00 H new ATOM 0 HA LEU A 422 -3.640 10.809 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.534 11.692 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -6.403 12.075 3.128 1.00 0.00 H new ATOM 0 HG LEU A 422 -6.390 9.622 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -5.934 8.027 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -4.479 8.947 3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -5.375 9.367 5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -8.173 9.044 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -7.698 10.423 5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -8.350 10.706 3.546 1.00 0.00 H new ATOM 884 N LEU A 423 -5.072 11.955 0.544 1.00 0.00 N ATOM 885 CA LEU A 423 -5.308 11.668 -0.865 1.00 0.00 C ATOM 886 C LEU A 423 -4.009 11.291 -1.570 1.00 0.00 C ATOM 887 O LEU A 423 -4.008 10.492 -2.508 1.00 0.00 O ATOM 888 CB LEU A 423 -5.942 12.878 -1.555 1.00 0.00 C ATOM 889 CG LEU A 423 -7.467 12.955 -1.454 1.00 0.00 C ATOM 890 CD1 LEU A 423 -7.924 14.402 -1.354 1.00 0.00 C ATOM 891 CD2 LEU A 423 -8.114 12.272 -2.649 1.00 0.00 C ATOM 0 H LEU A 423 -5.330 12.899 0.831 1.00 0.00 H new ATOM 0 HA LEU A 423 -5.993 10.822 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 423 -5.518 13.786 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 423 -5.663 12.864 -2.609 1.00 0.00 H new ATOM 0 HG LEU A 423 -7.779 12.434 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 423 -9.011 14.436 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 423 -7.488 14.861 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 423 -7.601 14.948 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 423 -9.199 12.336 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 423 -7.794 12.765 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 423 -7.813 11.225 -2.676 1.00 0.00 H new ATOM 903 N VAL A 424 -2.903 11.866 -1.110 1.00 0.00 N ATOM 904 CA VAL A 424 -1.597 11.589 -1.695 1.00 0.00 C ATOM 905 C VAL A 424 -1.129 10.180 -1.348 1.00 0.00 C ATOM 906 O VAL A 424 -0.685 9.432 -2.218 1.00 0.00 O ATOM 907 CB VAL A 424 -0.539 12.602 -1.215 1.00 0.00 C ATOM 908 CG1 VAL A 424 0.773 12.399 -1.958 1.00 0.00 C ATOM 909 CG2 VAL A 424 -1.045 14.027 -1.390 1.00 0.00 C ATOM 0 H VAL A 424 -2.885 12.527 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 424 -1.709 11.677 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 424 -0.358 12.433 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 424 1.507 13.124 -1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 424 1.142 11.390 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 424 0.611 12.538 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 424 -0.285 14.728 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 424 -1.258 14.211 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 424 -1.955 14.164 -0.807 1.00 0.00 H new ATOM 919 N ASN A 425 -1.234 9.823 -0.072 1.00 0.00 N ATOM 920 CA ASN A 425 -0.823 8.503 0.389 1.00 0.00 C ATOM 921 C ASN A 425 -1.693 7.415 -0.233 1.00 0.00 C ATOM 922 O ASN A 425 -1.214 6.323 -0.540 1.00 0.00 O ATOM 923 CB ASN A 425 -0.905 8.425 1.914 1.00 0.00 C ATOM 924 CG ASN A 425 0.085 9.350 2.595 1.00 0.00 C ATOM 925 OD1 ASN A 425 1.175 9.597 2.082 1.00 0.00 O ATOM 926 ND2 ASN A 425 -0.293 9.867 3.759 1.00 0.00 N ATOM 0 H ASN A 425 -1.601 10.430 0.661 1.00 0.00 H new ATOM 0 HA ASN A 425 0.209 8.342 0.078 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -1.915 8.680 2.234 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -0.719 7.400 2.233 1.00 0.00 H new ATOM 0 HD21 ASN A 425 0.331 10.496 4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -1.207 9.634 4.148 1.00 0.00 H new ATOM 933 N LEU A 426 -2.973 7.722 -0.418 1.00 0.00 N ATOM 934 CA LEU A 426 -3.910 6.771 -1.004 1.00 0.00 C ATOM 935 C LEU A 426 -3.569 6.502 -2.466 1.00 0.00 C ATOM 936 O LEU A 426 -3.628 5.363 -2.929 1.00 0.00 O ATOM 937 CB LEU A 426 -5.343 7.297 -0.886 1.00 0.00 C ATOM 938 CG LEU A 426 -6.157 6.707 0.267 1.00 0.00 C ATOM 939 CD1 LEU A 426 -5.426 6.894 1.586 1.00 0.00 C ATOM 940 CD2 LEU A 426 -7.537 7.347 0.324 1.00 0.00 C ATOM 0 H LEU A 426 -3.385 8.622 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 426 -3.830 5.833 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 426 -5.308 8.380 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 426 -5.866 7.095 -1.821 1.00 0.00 H new ATOM 0 HG LEU A 426 -6.280 5.638 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 426 -6.020 6.468 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 426 -4.460 6.391 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 426 -5.273 7.957 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 426 -8.104 6.917 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 426 -7.434 8.421 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 426 -8.063 7.162 -0.613 1.00 0.00 H new ATOM 952 N ARG A 427 -3.213 7.560 -3.190 1.00 0.00 N ATOM 953 CA ARG A 427 -2.863 7.436 -4.601 1.00 0.00 C ATOM 954 C ARG A 427 -1.664 6.510 -4.785 1.00 0.00 C ATOM 955 O ARG A 427 -1.618 5.719 -5.727 1.00 0.00 O ATOM 956 CB ARG A 427 -2.556 8.813 -5.195 1.00 0.00 C ATOM 957 CG ARG A 427 -3.048 8.981 -6.624 1.00 0.00 C ATOM 958 CD ARG A 427 -1.931 9.422 -7.559 1.00 0.00 C ATOM 959 NE ARG A 427 -2.129 10.787 -8.043 1.00 0.00 N ATOM 960 CZ ARG A 427 -1.839 11.875 -7.334 1.00 0.00 C ATOM 961 NH1 ARG A 427 -1.336 11.764 -6.109 1.00 0.00 N ATOM 962 NH2 ARG A 427 -2.050 13.078 -7.849 1.00 0.00 N ATOM 0 H ARG A 427 -3.160 8.510 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 427 -3.716 7.004 -5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 427 -3.013 9.580 -4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 427 -1.479 8.980 -5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 427 -3.467 8.039 -6.977 1.00 0.00 H new ATOM 0 HG3 ARG A 427 -3.853 9.716 -6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 427 -0.976 9.357 -7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 427 -1.878 8.740 -8.408 1.00 0.00 H new ATOM 0 HE ARG A 427 -2.512 10.913 -8.980 1.00 0.00 H new ATOM 0 HH11 ARG A 427 -1.170 10.841 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 427 -1.116 12.602 -5.570 1.00 0.00 H new ATOM 0 HH21 ARG A 427 -2.435 13.170 -8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 427 -1.828 13.912 -7.305 1.00 0.00 H new ATOM 976 N ALA A 428 -0.697 6.615 -3.880 1.00 0.00 N ATOM 977 CA ALA A 428 0.501 5.788 -3.942 1.00 0.00 C ATOM 978 C ALA A 428 0.150 4.308 -3.836 1.00 0.00 C ATOM 979 O ALA A 428 0.678 3.478 -4.578 1.00 0.00 O ATOM 980 CB ALA A 428 1.474 6.183 -2.843 1.00 0.00 C ATOM 0 H ALA A 428 -0.720 7.265 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 428 0.978 5.954 -4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.364 5.556 -2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 428 1.757 7.228 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 428 0.999 6.048 -1.871 1.00 0.00 H new ATOM 986 N MET A 429 -0.743 3.983 -2.907 1.00 0.00 N ATOM 987 CA MET A 429 -1.166 2.602 -2.705 1.00 0.00 C ATOM 988 C MET A 429 -1.870 2.061 -3.944 1.00 0.00 C ATOM 989 O MET A 429 -1.770 0.875 -4.260 1.00 0.00 O ATOM 990 CB MET A 429 -2.096 2.503 -1.492 1.00 0.00 C ATOM 991 CG MET A 429 -1.504 3.091 -0.222 1.00 0.00 C ATOM 992 SD MET A 429 -1.927 2.137 1.248 1.00 0.00 S ATOM 993 CE MET A 429 -2.216 3.448 2.434 1.00 0.00 C ATOM 0 H MET A 429 -1.187 4.656 -2.283 1.00 0.00 H new ATOM 0 HA MET A 429 -0.276 2.000 -2.523 1.00 0.00 H new ATOM 0 HB2 MET A 429 -3.031 3.016 -1.719 1.00 0.00 H new ATOM 0 HB3 MET A 429 -2.341 1.455 -1.317 1.00 0.00 H new ATOM 0 HG2 MET A 429 -0.419 3.139 -0.320 1.00 0.00 H new ATOM 0 HG3 MET A 429 -1.859 4.115 -0.101 1.00 0.00 H new ATOM 0 HE1 MET A 429 -2.084 3.060 3.444 1.00 0.00 H new ATOM 0 HE2 MET A 429 -1.508 4.258 2.261 1.00 0.00 H new ATOM 0 HE3 MET A 429 -3.233 3.824 2.320 1.00 0.00 H new ATOM 1003 N GLN A 430 -2.581 2.938 -4.645 1.00 0.00 N ATOM 1004 CA GLN A 430 -3.302 2.549 -5.851 1.00 0.00 C ATOM 1005 C GLN A 430 -2.332 2.172 -6.966 1.00 0.00 C ATOM 1006 O GLN A 430 -2.540 1.188 -7.675 1.00 0.00 O ATOM 1007 CB GLN A 430 -4.213 3.687 -6.316 1.00 0.00 C ATOM 1008 CG GLN A 430 -5.439 3.211 -7.079 1.00 0.00 C ATOM 1009 CD GLN A 430 -6.246 4.357 -7.659 1.00 0.00 C ATOM 1010 OE1 GLN A 430 -5.830 5.514 -7.602 1.00 0.00 O ATOM 1011 NE2 GLN A 430 -7.406 4.039 -8.220 1.00 0.00 N ATOM 0 H GLN A 430 -2.673 3.923 -4.398 1.00 0.00 H new ATOM 0 HA GLN A 430 -3.913 1.678 -5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 430 -4.536 4.261 -5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 430 -3.640 4.364 -6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 430 -5.126 2.547 -7.885 1.00 0.00 H new ATOM 0 HG3 GLN A 430 -6.073 2.626 -6.413 1.00 0.00 H new ATOM 0 HE21 GLN A 430 -7.711 3.066 -8.245 1.00 0.00 H new ATOM 0 HE22 GLN A 430 -7.993 4.768 -8.627 1.00 0.00 H new ATOM 1020 N ASN A 431 -1.271 2.959 -7.112 1.00 0.00 N ATOM 1021 CA ASN A 431 -0.268 2.707 -8.141 1.00 0.00 C ATOM 1022 C ASN A 431 0.373 1.337 -7.948 1.00 0.00 C ATOM 1023 O ASN A 431 0.507 0.565 -8.897 1.00 0.00 O ATOM 1024 CB ASN A 431 0.805 3.797 -8.113 1.00 0.00 C ATOM 1025 CG ASN A 431 0.500 4.933 -9.069 1.00 0.00 C ATOM 1026 OD1 ASN A 431 0.351 6.083 -8.656 1.00 0.00 O ATOM 1027 ND2 ASN A 431 0.406 4.616 -10.355 1.00 0.00 N ATOM 0 H ASN A 431 -1.083 3.776 -6.531 1.00 0.00 H new ATOM 0 HA ASN A 431 -0.764 2.722 -9.112 1.00 0.00 H new ATOM 0 HB2 ASN A 431 0.892 4.191 -7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 431 1.770 3.360 -8.369 1.00 0.00 H new ATOM 0 HD21 ASN A 431 0.203 5.339 -11.045 1.00 0.00 H new ATOM 0 HD22 ASN A 431 0.537 3.649 -10.653 1.00 0.00 H new ATOM 1034 N PHE A 432 0.767 1.041 -6.714 1.00 0.00 N ATOM 1035 CA PHE A 432 1.394 -0.237 -6.396 1.00 0.00 C ATOM 1036 C PHE A 432 0.437 -1.393 -6.670 1.00 0.00 C ATOM 1037 O PHE A 432 0.861 -2.493 -7.023 1.00 0.00 O ATOM 1038 CB PHE A 432 1.837 -0.262 -4.932 1.00 0.00 C ATOM 1039 CG PHE A 432 2.711 -1.433 -4.588 1.00 0.00 C ATOM 1040 CD1 PHE A 432 3.925 -1.621 -5.231 1.00 0.00 C ATOM 1041 CD2 PHE A 432 2.319 -2.347 -3.623 1.00 0.00 C ATOM 1042 CE1 PHE A 432 4.731 -2.698 -4.916 1.00 0.00 C ATOM 1043 CE2 PHE A 432 3.123 -3.426 -3.304 1.00 0.00 C ATOM 1044 CZ PHE A 432 4.330 -3.601 -3.952 1.00 0.00 C ATOM 0 H PHE A 432 0.663 1.669 -5.917 1.00 0.00 H new ATOM 0 HA PHE A 432 2.270 -0.353 -7.034 1.00 0.00 H new ATOM 0 HB2 PHE A 432 2.374 0.660 -4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 432 0.953 -0.279 -4.294 1.00 0.00 H new ATOM 0 HD1 PHE A 432 4.244 -0.918 -5.986 1.00 0.00 H new ATOM 0 HD2 PHE A 432 1.375 -2.215 -3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 432 5.675 -2.833 -5.424 1.00 0.00 H new ATOM 0 HE2 PHE A 432 2.807 -4.131 -2.549 1.00 0.00 H new ATOM 0 HZ PHE A 432 4.959 -4.443 -3.705 1.00 0.00 H new ATOM 1054 N LEU A 433 -0.856 -1.134 -6.505 1.00 0.00 N ATOM 1055 CA LEU A 433 -1.875 -2.153 -6.734 1.00 0.00 C ATOM 1056 C LEU A 433 -2.257 -2.227 -8.211 1.00 0.00 C ATOM 1057 O LEU A 433 -2.749 -3.250 -8.684 1.00 0.00 O ATOM 1058 CB LEU A 433 -3.117 -1.860 -5.891 1.00 0.00 C ATOM 1059 CG LEU A 433 -3.044 -2.344 -4.442 1.00 0.00 C ATOM 1060 CD1 LEU A 433 -4.118 -1.674 -3.600 1.00 0.00 C ATOM 1061 CD2 LEU A 433 -3.180 -3.858 -4.380 1.00 0.00 C ATOM 0 H LEU A 433 -1.223 -0.228 -6.214 1.00 0.00 H new ATOM 0 HA LEU A 433 -1.459 -3.116 -6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -3.292 -0.784 -5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -3.980 -2.323 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 433 -2.071 -2.069 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 433 -4.050 -2.031 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 433 -3.974 -0.594 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 433 -5.101 -1.916 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 433 -3.126 -4.186 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -4.139 -4.155 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -2.373 -4.319 -4.949 1.00 0.00 H new ATOM 1073 N GLN A 434 -2.026 -1.135 -8.936 1.00 0.00 N ATOM 1074 CA GLN A 434 -2.347 -1.080 -10.357 1.00 0.00 C ATOM 1075 C GLN A 434 -1.410 -1.974 -11.162 1.00 0.00 C ATOM 1076 O GLN A 434 -1.793 -2.523 -12.194 1.00 0.00 O ATOM 1077 CB GLN A 434 -2.261 0.360 -10.867 1.00 0.00 C ATOM 1078 CG GLN A 434 -3.552 1.145 -10.689 1.00 0.00 C ATOM 1079 CD GLN A 434 -4.013 1.807 -11.973 1.00 0.00 C ATOM 1080 OE1 GLN A 434 -5.173 1.680 -12.368 1.00 0.00 O ATOM 1081 NE2 GLN A 434 -3.107 2.520 -12.630 1.00 0.00 N ATOM 0 H GLN A 434 -1.618 -0.278 -8.562 1.00 0.00 H new ATOM 0 HA GLN A 434 -3.367 -1.443 -10.487 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -1.456 0.875 -10.342 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -1.996 0.347 -11.924 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -4.333 0.476 -10.329 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -3.407 1.907 -9.923 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -2.157 2.598 -12.266 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -3.360 2.990 -13.499 1.00 0.00 H new ATOM 1090 N LEU A 435 -0.177 -2.114 -10.682 1.00 0.00 N ATOM 1091 CA LEU A 435 0.815 -2.943 -11.355 1.00 0.00 C ATOM 1092 C LEU A 435 0.395 -4.411 -11.341 1.00 0.00 C ATOM 1093 O LEU A 435 -0.359 -4.840 -10.468 1.00 0.00 O ATOM 1094 CB LEU A 435 2.181 -2.783 -10.687 1.00 0.00 C ATOM 1095 CG LEU A 435 2.757 -1.367 -10.719 1.00 0.00 C ATOM 1096 CD1 LEU A 435 3.702 -1.148 -9.547 1.00 0.00 C ATOM 1097 CD2 LEU A 435 3.471 -1.112 -12.037 1.00 0.00 C ATOM 0 H LEU A 435 0.157 -1.664 -9.830 1.00 0.00 H new ATOM 0 HA LEU A 435 0.886 -2.614 -12.392 1.00 0.00 H new ATOM 0 HB2 LEU A 435 2.100 -3.102 -9.648 1.00 0.00 H new ATOM 0 HB3 LEU A 435 2.887 -3.457 -11.173 1.00 0.00 H new ATOM 0 HG LEU A 435 1.933 -0.658 -10.632 1.00 0.00 H new ATOM 0 HD11 LEU A 435 4.102 -0.135 -9.587 1.00 0.00 H new ATOM 0 HD12 LEU A 435 3.160 -1.288 -8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 435 4.522 -1.864 -9.602 1.00 0.00 H new ATOM 0 HD21 LEU A 435 3.875 -0.099 -12.042 1.00 0.00 H new ATOM 0 HD22 LEU A 435 4.285 -1.828 -12.154 1.00 0.00 H new ATOM 0 HD23 LEU A 435 2.766 -1.226 -12.861 1.00 0.00 H new ATOM 1109 N PRO A 436 0.881 -5.203 -12.312 1.00 0.00 N ATOM 1110 CA PRO A 436 0.551 -6.631 -12.404 1.00 0.00 C ATOM 1111 C PRO A 436 1.063 -7.420 -11.204 1.00 0.00 C ATOM 1112 O PRO A 436 2.010 -7.006 -10.536 1.00 0.00 O ATOM 1113 CB PRO A 436 1.258 -7.086 -13.685 1.00 0.00 C ATOM 1114 CG PRO A 436 2.328 -6.075 -13.917 1.00 0.00 C ATOM 1115 CD PRO A 436 1.788 -4.777 -13.392 1.00 0.00 C ATOM 0 HA PRO A 436 -0.526 -6.798 -12.418 1.00 0.00 H new ATOM 0 HB2 PRO A 436 1.678 -8.085 -13.570 1.00 0.00 H new ATOM 0 HB3 PRO A 436 0.565 -7.126 -14.525 1.00 0.00 H new ATOM 0 HG2 PRO A 436 3.247 -6.353 -13.401 1.00 0.00 H new ATOM 0 HG3 PRO A 436 2.569 -5.998 -14.977 1.00 0.00 H new ATOM 0 HD2 PRO A 436 2.583 -4.131 -13.019 1.00 0.00 H new ATOM 0 HD3 PRO A 436 1.260 -4.218 -14.165 1.00 0.00 H new ATOM 1123 N GLU A 437 0.430 -8.556 -10.937 1.00 0.00 N ATOM 1124 CA GLU A 437 0.820 -9.405 -9.816 1.00 0.00 C ATOM 1125 C GLU A 437 2.275 -9.844 -9.945 1.00 0.00 C ATOM 1126 O GLU A 437 2.962 -10.049 -8.945 1.00 0.00 O ATOM 1127 CB GLU A 437 -0.090 -10.633 -9.737 1.00 0.00 C ATOM 1128 CG GLU A 437 0.073 -11.429 -8.453 1.00 0.00 C ATOM 1129 CD GLU A 437 1.095 -12.541 -8.582 1.00 0.00 C ATOM 1130 OE1 GLU A 437 1.321 -13.011 -9.718 1.00 0.00 O ATOM 1131 OE2 GLU A 437 1.670 -12.941 -7.549 1.00 0.00 O ATOM 0 H GLU A 437 -0.356 -8.911 -11.481 1.00 0.00 H new ATOM 0 HA GLU A 437 0.715 -8.824 -8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -1.128 -10.312 -9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 437 0.117 -11.284 -10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 437 0.372 -10.757 -7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 437 -0.889 -11.856 -8.170 1.00 0.00 H new ATOM 1138 N ALA A 438 2.739 -9.985 -11.182 1.00 0.00 N ATOM 1139 CA ALA A 438 4.111 -10.400 -11.441 1.00 0.00 C ATOM 1140 C ALA A 438 5.105 -9.410 -10.843 1.00 0.00 C ATOM 1141 O ALA A 438 6.112 -9.805 -10.254 1.00 0.00 O ATOM 1142 CB ALA A 438 4.345 -10.545 -12.937 1.00 0.00 C ATOM 0 H ALA A 438 2.184 -9.818 -12.021 1.00 0.00 H new ATOM 0 HA ALA A 438 4.268 -11.367 -10.964 1.00 0.00 H new ATOM 0 HB1 ALA A 438 5.374 -10.856 -13.116 1.00 0.00 H new ATOM 0 HB2 ALA A 438 3.664 -11.295 -13.341 1.00 0.00 H new ATOM 0 HB3 ALA A 438 4.164 -9.589 -13.428 1.00 0.00 H new ATOM 1148 N GLU A 439 4.817 -8.122 -10.998 1.00 0.00 N ATOM 1149 CA GLU A 439 5.687 -7.076 -10.472 1.00 0.00 C ATOM 1150 C GLU A 439 5.564 -6.978 -8.955 1.00 0.00 C ATOM 1151 O GLU A 439 6.547 -6.735 -8.257 1.00 0.00 O ATOM 1152 CB GLU A 439 5.343 -5.729 -11.113 1.00 0.00 C ATOM 1153 CG GLU A 439 6.203 -5.394 -12.321 1.00 0.00 C ATOM 1154 CD GLU A 439 5.878 -4.034 -12.908 1.00 0.00 C ATOM 1155 OE1 GLU A 439 4.734 -3.567 -12.727 1.00 0.00 O ATOM 1156 OE2 GLU A 439 6.769 -3.436 -13.547 1.00 0.00 O ATOM 0 H GLU A 439 3.989 -7.777 -11.483 1.00 0.00 H new ATOM 0 HA GLU A 439 6.717 -7.335 -10.718 1.00 0.00 H new ATOM 0 HB2 GLU A 439 4.295 -5.736 -11.414 1.00 0.00 H new ATOM 0 HB3 GLU A 439 5.455 -4.942 -10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 439 7.254 -5.420 -12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 439 6.063 -6.158 -13.085 1.00 0.00 H new ATOM 1163 N ARG A 440 4.348 -7.167 -8.451 1.00 0.00 N ATOM 1164 CA ARG A 440 4.097 -7.099 -7.016 1.00 0.00 C ATOM 1165 C ARG A 440 4.925 -8.140 -6.270 1.00 0.00 C ATOM 1166 O ARG A 440 5.566 -7.832 -5.264 1.00 0.00 O ATOM 1167 CB ARG A 440 2.610 -7.310 -6.726 1.00 0.00 C ATOM 1168 CG ARG A 440 1.743 -6.118 -7.099 1.00 0.00 C ATOM 1169 CD ARG A 440 0.454 -6.096 -6.294 1.00 0.00 C ATOM 1170 NE ARG A 440 -0.271 -7.361 -6.384 1.00 0.00 N ATOM 1171 CZ ARG A 440 -1.026 -7.712 -7.422 1.00 0.00 C ATOM 1172 NH1 ARG A 440 -1.158 -6.897 -8.462 1.00 0.00 N ATOM 1173 NH2 ARG A 440 -1.650 -8.882 -7.422 1.00 0.00 N ATOM 0 H ARG A 440 3.522 -7.368 -9.015 1.00 0.00 H new ATOM 0 HA ARG A 440 4.391 -6.109 -6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 440 2.262 -8.187 -7.272 1.00 0.00 H new ATOM 0 HB3 ARG A 440 2.482 -7.524 -5.665 1.00 0.00 H new ATOM 0 HG2 ARG A 440 2.297 -5.195 -6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 440 1.509 -6.155 -8.163 1.00 0.00 H new ATOM 0 HD2 ARG A 440 0.683 -5.883 -5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 440 -0.183 -5.287 -6.652 1.00 0.00 H new ATOM 0 HE ARG A 440 -0.194 -8.014 -5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -0.679 -5.996 -8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -1.738 -7.172 -9.255 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -1.551 -9.513 -6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -2.229 -9.151 -8.218 1.00 0.00 H new ATOM 1187 N ASP A 441 4.907 -9.371 -6.767 1.00 0.00 N ATOM 1188 CA ASP A 441 5.657 -10.457 -6.146 1.00 0.00 C ATOM 1189 C ASP A 441 7.154 -10.167 -6.166 1.00 0.00 C ATOM 1190 O ASP A 441 7.857 -10.419 -5.189 1.00 0.00 O ATOM 1191 CB ASP A 441 5.370 -11.778 -6.866 1.00 0.00 C ATOM 1192 CG ASP A 441 4.363 -12.634 -6.123 1.00 0.00 C ATOM 1193 OD1 ASP A 441 3.266 -12.125 -5.811 1.00 0.00 O ATOM 1194 OD2 ASP A 441 4.672 -13.813 -5.854 1.00 0.00 O ATOM 0 H ASP A 441 4.382 -9.642 -7.598 1.00 0.00 H new ATOM 0 HA ASP A 441 5.337 -10.540 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 441 4.996 -11.569 -7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 441 6.300 -12.335 -6.983 1.00 0.00 H new ATOM 1199 N ARG A 442 7.634 -9.635 -7.285 1.00 0.00 N ATOM 1200 CA ARG A 442 9.047 -9.309 -7.433 1.00 0.00 C ATOM 1201 C ARG A 442 9.483 -8.292 -6.383 1.00 0.00 C ATOM 1202 O ARG A 442 10.539 -8.434 -5.768 1.00 0.00 O ATOM 1203 CB ARG A 442 9.324 -8.765 -8.835 1.00 0.00 C ATOM 1204 CG ARG A 442 10.704 -9.116 -9.362 1.00 0.00 C ATOM 1205 CD ARG A 442 10.670 -9.431 -10.849 1.00 0.00 C ATOM 1206 NE ARG A 442 10.447 -10.853 -11.102 1.00 0.00 N ATOM 1207 CZ ARG A 442 11.394 -11.782 -11.000 1.00 0.00 C ATOM 1208 NH1 ARG A 442 12.631 -11.444 -10.650 1.00 0.00 N ATOM 1209 NH2 ARG A 442 11.106 -13.053 -11.247 1.00 0.00 N ATOM 0 H ARG A 442 7.064 -9.420 -8.103 1.00 0.00 H new ATOM 0 HA ARG A 442 9.622 -10.223 -7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 442 8.572 -9.154 -9.522 1.00 0.00 H new ATOM 0 HB3 ARG A 442 9.214 -7.681 -8.823 1.00 0.00 H new ATOM 0 HG2 ARG A 442 11.386 -8.285 -9.181 1.00 0.00 H new ATOM 0 HG3 ARG A 442 11.095 -9.974 -8.816 1.00 0.00 H new ATOM 0 HD2 ARG A 442 9.880 -8.850 -11.325 1.00 0.00 H new ATOM 0 HD3 ARG A 442 11.611 -9.124 -11.306 1.00 0.00 H new ATOM 0 HE ARG A 442 9.510 -11.151 -11.373 1.00 0.00 H new ATOM 0 HH11 ARG A 442 12.858 -10.468 -10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 442 13.353 -12.160 -10.573 1.00 0.00 H new ATOM 0 HH21 ARG A 442 10.158 -13.318 -11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 442 11.832 -13.765 -11.169 1.00 0.00 H new ATOM 1223 N ILE A 443 8.663 -7.265 -6.187 1.00 0.00 N ATOM 1224 CA ILE A 443 8.964 -6.223 -5.211 1.00 0.00 C ATOM 1225 C ILE A 443 8.833 -6.750 -3.786 1.00 0.00 C ATOM 1226 O ILE A 443 9.559 -6.325 -2.888 1.00 0.00 O ATOM 1227 CB ILE A 443 8.037 -5.004 -5.385 1.00 0.00 C ATOM 1228 CG1 ILE A 443 8.033 -4.540 -6.843 1.00 0.00 C ATOM 1229 CG2 ILE A 443 8.469 -3.871 -4.465 1.00 0.00 C ATOM 1230 CD1 ILE A 443 6.671 -4.095 -7.332 1.00 0.00 C ATOM 0 H ILE A 443 7.786 -7.132 -6.690 1.00 0.00 H new ATOM 0 HA ILE A 443 9.994 -5.913 -5.387 1.00 0.00 H new ATOM 0 HB ILE A 443 7.023 -5.299 -5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 443 8.738 -3.716 -6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 443 8.390 -5.353 -7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 443 7.804 -3.018 -4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 443 8.423 -4.206 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 443 9.490 -3.576 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 443 6.743 -3.780 -8.373 1.00 0.00 H new ATOM 0 HD12 ILE A 443 5.967 -4.923 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 443 6.321 -3.261 -6.724 1.00 0.00 H new ATOM 1242 N TYR A 444 7.903 -7.679 -3.586 1.00 0.00 N ATOM 1243 CA TYR A 444 7.679 -8.263 -2.270 1.00 0.00 C ATOM 1244 C TYR A 444 8.866 -9.122 -1.845 1.00 0.00 C ATOM 1245 O TYR A 444 9.267 -9.113 -0.681 1.00 0.00 O ATOM 1246 CB TYR A 444 6.402 -9.106 -2.272 1.00 0.00 C ATOM 1247 CG TYR A 444 5.131 -8.287 -2.324 1.00 0.00 C ATOM 1248 CD1 TYR A 444 4.995 -7.130 -1.568 1.00 0.00 C ATOM 1249 CD2 TYR A 444 4.068 -8.674 -3.130 1.00 0.00 C ATOM 1250 CE1 TYR A 444 3.833 -6.381 -1.613 1.00 0.00 C ATOM 1251 CE2 TYR A 444 2.904 -7.929 -3.181 1.00 0.00 C ATOM 1252 CZ TYR A 444 2.792 -6.785 -2.422 1.00 0.00 C ATOM 1253 OH TYR A 444 1.635 -6.042 -2.470 1.00 0.00 O ATOM 0 H TYR A 444 7.293 -8.043 -4.319 1.00 0.00 H new ATOM 0 HA TYR A 444 7.568 -7.448 -1.555 1.00 0.00 H new ATOM 0 HB2 TYR A 444 6.424 -9.780 -3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 444 6.386 -9.728 -1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 444 5.809 -6.810 -0.935 1.00 0.00 H new ATOM 0 HD2 TYR A 444 4.152 -9.571 -3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 444 3.742 -5.485 -1.018 1.00 0.00 H new ATOM 0 HE2 TYR A 444 2.086 -8.243 -3.813 1.00 0.00 H new ATOM 0 HH TYR A 444 1.513 -5.572 -1.619 1.00 0.00 H new ATOM 1263 N GLN A 445 9.423 -9.863 -2.797 1.00 0.00 N ATOM 1264 CA GLN A 445 10.565 -10.728 -2.524 1.00 0.00 C ATOM 1265 C GLN A 445 11.845 -9.912 -2.382 1.00 0.00 C ATOM 1266 O GLN A 445 12.638 -10.134 -1.466 1.00 0.00 O ATOM 1267 CB GLN A 445 10.728 -11.763 -3.637 1.00 0.00 C ATOM 1268 CG GLN A 445 11.378 -13.058 -3.176 1.00 0.00 C ATOM 1269 CD GLN A 445 10.373 -14.174 -2.972 1.00 0.00 C ATOM 1270 OE1 GLN A 445 9.900 -14.783 -3.932 1.00 0.00 O ATOM 1271 NE2 GLN A 445 10.042 -14.451 -1.716 1.00 0.00 N ATOM 0 H GLN A 445 9.102 -9.882 -3.765 1.00 0.00 H new ATOM 0 HA GLN A 445 10.378 -11.245 -1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 445 9.748 -11.988 -4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 445 11.328 -11.331 -4.438 1.00 0.00 H new ATOM 0 HG2 GLN A 445 12.118 -13.371 -3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 445 11.912 -12.880 -2.243 1.00 0.00 H new ATOM 0 HE21 GLN A 445 10.458 -13.921 -0.950 1.00 0.00 H new ATOM 0 HE22 GLN A 445 9.372 -15.194 -1.517 1.00 0.00 H new