USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 513 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 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 59:sc= -6.47! USER MOD Single : A 14 TYR OH : rot 74:sc= -9.17! USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -26.4! C(o=-26!,f=-34!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0785 USER MOD Single : A 24 ASN : amide:sc= -0.821 K(o=-0.82,f=-7.1!) USER MOD Single : A 29 ASN : amide:sc= -1.99! C(o=-2!,f=-5.1!) USER MOD Single : A 31 THR OG1 : rot 116:sc= -1.69! USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 0.0275 (180deg=0.0172) USER MOD Single : A 33 GLN : amide:sc= -1.15 K(o=-1.2,f=-6!) USER MOD Single : A 38 THR OG1 : rot 112:sc= -1.72 USER MOD Single : A 39 SER OG : rot -150:sc= -1.99 USER MOD Single : A 46 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.15) USER MOD Single : A 57 THR OG1 : rot -60:sc= -3.03! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 179:sc= -2.48 (180deg=-2.52) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.886 -3.835 -1.317 1.00 0.00 N ATOM 2 CA SER A 1 16.649 -5.149 -0.663 1.00 0.00 C ATOM 3 C SER A 1 15.198 -5.289 -0.215 1.00 0.00 C ATOM 4 O SER A 1 14.790 -4.708 0.791 1.00 0.00 O ATOM 5 CB SER A 1 17.587 -5.271 0.540 1.00 0.00 C ATOM 6 OG SER A 1 18.626 -6.200 0.285 1.00 0.00 O ATOM 0 H1 SER A 1 17.881 -3.768 -1.611 1.00 0.00 H new ATOM 0 H2 SER A 1 16.272 -3.747 -2.151 1.00 0.00 H new ATOM 0 H3 SER A 1 16.671 -3.070 -0.646 1.00 0.00 H new ATOM 0 HA SER A 1 16.849 -5.946 -1.379 1.00 0.00 H new ATOM 0 HB2 SER A 1 18.016 -4.296 0.771 1.00 0.00 H new ATOM 0 HB3 SER A 1 17.020 -5.586 1.416 1.00 0.00 H new ATOM 0 HG SER A 1 19.212 -6.258 1.068 1.00 0.00 H new ATOM 14 N ALA A 2 14.423 -6.063 -0.967 1.00 0.00 N ATOM 15 CA ALA A 2 13.018 -6.279 -0.648 1.00 0.00 C ATOM 16 C ALA A 2 12.833 -7.532 0.201 1.00 0.00 C ATOM 17 O ALA A 2 12.868 -8.652 -0.311 1.00 0.00 O ATOM 18 CB ALA A 2 12.198 -6.378 -1.925 1.00 0.00 C ATOM 0 H ALA A 2 14.745 -6.551 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 2 12.667 -5.426 -0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.150 -6.539 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.296 -5.453 -2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.559 -7.213 -2.526 1.00 0.00 H new ATOM 24 N ASP A 3 12.638 -7.337 1.502 1.00 0.00 N ATOM 25 CA ASP A 3 12.448 -8.453 2.422 1.00 0.00 C ATOM 26 C ASP A 3 11.005 -8.518 2.911 1.00 0.00 C ATOM 27 O ASP A 3 10.141 -7.785 2.427 1.00 0.00 O ATOM 28 CB ASP A 3 13.396 -8.321 3.615 1.00 0.00 C ATOM 29 CG ASP A 3 14.629 -9.192 3.475 1.00 0.00 C ATOM 30 OD1 ASP A 3 14.684 -9.994 2.518 1.00 0.00 O ATOM 31 OD2 ASP A 3 15.539 -9.074 4.321 1.00 0.00 O ATOM 0 H ASP A 3 12.607 -6.417 1.942 1.00 0.00 H new ATOM 0 HA ASP A 3 12.672 -9.375 1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.701 -7.280 3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.866 -8.591 4.528 1.00 0.00 H new ATOM 36 N GLN A 4 10.750 -9.398 3.874 1.00 0.00 N ATOM 37 CA GLN A 4 9.411 -9.557 4.429 1.00 0.00 C ATOM 38 C GLN A 4 8.999 -8.316 5.214 1.00 0.00 C ATOM 39 O GLN A 4 9.639 -7.952 6.201 1.00 0.00 O ATOM 40 CB GLN A 4 9.354 -10.790 5.333 1.00 0.00 C ATOM 41 CG GLN A 4 7.962 -11.388 5.459 1.00 0.00 C ATOM 42 CD GLN A 4 7.927 -12.603 6.365 1.00 0.00 C ATOM 43 OE1 GLN A 4 7.242 -12.611 7.388 1.00 0.00 O ATOM 44 NE2 GLN A 4 8.669 -13.641 5.993 1.00 0.00 N ATOM 0 H GLN A 4 11.453 -10.012 4.286 1.00 0.00 H new ATOM 0 HA GLN A 4 8.714 -9.690 3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 4 10.032 -11.548 4.942 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.716 -10.520 6.325 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.280 -10.631 5.846 1.00 0.00 H new ATOM 0 HG3 GLN A 4 7.600 -11.667 4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.222 -13.592 5.137 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.685 -14.487 6.563 1.00 0.00 H new ATOM 53 N PRO A 5 7.919 -7.648 4.782 1.00 0.00 N ATOM 54 CA PRO A 5 7.417 -6.442 5.445 1.00 0.00 C ATOM 55 C PRO A 5 7.333 -6.604 6.959 1.00 0.00 C ATOM 56 O PRO A 5 6.759 -7.571 7.459 1.00 0.00 O ATOM 57 CB PRO A 5 6.023 -6.269 4.843 1.00 0.00 C ATOM 58 CG PRO A 5 6.121 -6.882 3.490 1.00 0.00 C ATOM 59 CD PRO A 5 7.101 -8.019 3.612 1.00 0.00 C ATOM 0 HA PRO A 5 8.073 -5.585 5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.265 -6.765 5.449 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.745 -5.217 4.783 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.148 -7.241 3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.462 -6.152 2.756 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.593 -8.971 3.764 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.710 -8.122 2.714 1.00 0.00 H new ATOM 67 N LYS A 6 7.912 -5.651 7.683 1.00 0.00 N ATOM 68 CA LYS A 6 7.905 -5.685 9.141 1.00 0.00 C ATOM 69 C LYS A 6 6.765 -4.840 9.700 1.00 0.00 C ATOM 70 O LYS A 6 5.834 -4.481 8.979 1.00 0.00 O ATOM 71 CB LYS A 6 9.242 -5.185 9.689 1.00 0.00 C ATOM 72 CG LYS A 6 9.915 -6.161 10.642 1.00 0.00 C ATOM 73 CD LYS A 6 11.404 -5.881 10.764 1.00 0.00 C ATOM 74 CE LYS A 6 11.898 -6.104 12.184 1.00 0.00 C ATOM 75 NZ LYS A 6 13.094 -5.272 12.491 1.00 0.00 N ATOM 0 H LYS A 6 8.392 -4.845 7.283 1.00 0.00 H new ATOM 0 HA LYS A 6 7.755 -6.718 9.455 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.914 -4.983 8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.082 -4.238 10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.449 -6.092 11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.763 -7.181 10.288 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.954 -6.528 10.080 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.608 -4.853 10.464 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.100 -5.867 12.888 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.143 -7.157 12.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.401 -5.452 13.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.864 -5.516 11.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.854 -4.266 12.384 1.00 0.00 H new ATOM 89 N GLU A 7 6.848 -4.524 10.988 1.00 0.00 N ATOM 90 CA GLU A 7 5.824 -3.718 11.644 1.00 0.00 C ATOM 91 C GLU A 7 5.898 -2.268 11.181 1.00 0.00 C ATOM 92 O GLU A 7 6.084 -1.356 11.988 1.00 0.00 O ATOM 93 CB GLU A 7 5.985 -3.791 13.163 1.00 0.00 C ATOM 94 CG GLU A 7 7.395 -3.491 13.642 1.00 0.00 C ATOM 95 CD GLU A 7 7.444 -3.123 15.111 1.00 0.00 C ATOM 96 OE1 GLU A 7 6.512 -2.439 15.585 1.00 0.00 O ATOM 97 OE2 GLU A 7 8.416 -3.519 15.790 1.00 0.00 O ATOM 0 H GLU A 7 7.613 -4.813 11.598 1.00 0.00 H new ATOM 0 HA GLU A 7 4.848 -4.119 11.370 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.295 -3.086 13.627 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.699 -4.787 13.502 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.027 -4.362 13.468 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.809 -2.673 13.052 1.00 0.00 H new ATOM 104 N GLU A 8 5.753 -2.060 9.876 1.00 0.00 N ATOM 105 CA GLU A 8 5.804 -0.720 9.305 1.00 0.00 C ATOM 106 C GLU A 8 4.419 -0.264 8.858 1.00 0.00 C ATOM 107 O GLU A 8 3.860 -0.793 7.898 1.00 0.00 O ATOM 108 CB GLU A 8 6.769 -0.685 8.118 1.00 0.00 C ATOM 109 CG GLU A 8 7.986 -1.577 8.297 1.00 0.00 C ATOM 110 CD GLU A 8 9.289 -0.836 8.071 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.441 -0.216 6.998 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.157 -0.874 8.968 1.00 0.00 O ATOM 0 H GLU A 8 5.599 -2.803 9.194 1.00 0.00 H new ATOM 0 HA GLU A 8 6.160 -0.038 10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.235 -0.989 7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.101 0.341 7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.980 -1.996 9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.923 -2.415 7.603 1.00 0.00 H new ATOM 119 N LYS A 9 3.871 0.724 9.559 1.00 0.00 N ATOM 120 CA LYS A 9 2.553 1.252 9.230 1.00 0.00 C ATOM 121 C LYS A 9 2.628 2.745 8.930 1.00 0.00 C ATOM 122 O LYS A 9 2.958 3.550 9.801 1.00 0.00 O ATOM 123 CB LYS A 9 1.568 0.989 10.373 1.00 0.00 C ATOM 124 CG LYS A 9 1.518 2.098 11.412 1.00 0.00 C ATOM 125 CD LYS A 9 0.605 3.232 10.976 1.00 0.00 C ATOM 126 CE LYS A 9 1.118 4.577 11.464 1.00 0.00 C ATOM 127 NZ LYS A 9 0.006 5.516 11.778 1.00 0.00 N ATOM 0 H LYS A 9 4.319 1.174 10.357 1.00 0.00 H new ATOM 0 HA LYS A 9 2.195 0.739 8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.571 0.851 9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.839 0.055 10.866 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.168 1.693 12.361 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.523 2.484 11.582 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.530 3.243 9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.399 3.062 11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.731 4.430 12.353 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.761 5.018 10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.369 6.304 12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.395 5.888 10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.734 5.013 12.309 1.00 0.00 H new ATOM 141 N LYS A 10 2.315 3.105 7.693 1.00 0.00 N ATOM 142 CA LYS A 10 2.338 4.498 7.269 1.00 0.00 C ATOM 143 C LYS A 10 0.986 4.893 6.694 1.00 0.00 C ATOM 144 O LYS A 10 -0.006 4.188 6.883 1.00 0.00 O ATOM 145 CB LYS A 10 3.433 4.721 6.224 1.00 0.00 C ATOM 146 CG LYS A 10 4.512 5.692 6.673 1.00 0.00 C ATOM 147 CD LYS A 10 4.891 5.464 8.127 1.00 0.00 C ATOM 148 CE LYS A 10 6.354 5.786 8.379 1.00 0.00 C ATOM 149 NZ LYS A 10 6.808 5.305 9.714 1.00 0.00 N ATOM 0 H LYS A 10 2.041 2.448 6.962 1.00 0.00 H new ATOM 0 HA LYS A 10 2.551 5.120 8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.895 3.763 5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.978 5.095 5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.394 5.576 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.160 6.715 6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.265 6.084 8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.694 4.426 8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.965 5.328 7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.505 6.863 8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.811 5.544 9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.242 5.761 10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.688 4.274 9.771 1.00 0.00 H new ATOM 163 N GLU A 11 0.947 6.011 5.980 1.00 0.00 N ATOM 164 CA GLU A 11 -0.293 6.468 5.372 1.00 0.00 C ATOM 165 C GLU A 11 -0.458 5.835 4.000 1.00 0.00 C ATOM 166 O GLU A 11 0.507 5.706 3.247 1.00 0.00 O ATOM 167 CB GLU A 11 -0.316 7.990 5.257 1.00 0.00 C ATOM 168 CG GLU A 11 -0.109 8.705 6.582 1.00 0.00 C ATOM 169 CD GLU A 11 1.353 8.799 6.972 1.00 0.00 C ATOM 170 OE1 GLU A 11 2.183 8.119 6.334 1.00 0.00 O ATOM 171 OE2 GLU A 11 1.667 9.554 7.916 1.00 0.00 O ATOM 0 H GLU A 11 1.753 6.612 5.809 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.123 6.165 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.460 8.305 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.271 8.299 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.529 9.709 6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.657 8.179 7.364 1.00 0.00 H new ATOM 178 N CYS A 12 -1.679 5.430 3.677 1.00 0.00 N ATOM 179 CA CYS A 12 -1.943 4.802 2.395 1.00 0.00 C ATOM 180 C CYS A 12 -2.437 5.819 1.378 1.00 0.00 C ATOM 181 O CYS A 12 -2.968 6.869 1.735 1.00 0.00 O ATOM 182 CB CYS A 12 -2.963 3.675 2.553 1.00 0.00 C ATOM 183 SG CYS A 12 -3.225 2.698 1.038 1.00 0.00 S ATOM 0 H CYS A 12 -2.495 5.525 4.282 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.007 4.382 2.028 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.633 3.009 3.350 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.915 4.102 2.868 1.00 0.00 H new ATOM 188 N TYR A 13 -2.252 5.491 0.106 1.00 0.00 N ATOM 189 CA TYR A 13 -2.673 6.356 -0.983 1.00 0.00 C ATOM 190 C TYR A 13 -3.537 5.562 -1.963 1.00 0.00 C ATOM 191 O TYR A 13 -3.327 4.360 -2.141 1.00 0.00 O ATOM 192 CB TYR A 13 -1.459 6.931 -1.733 1.00 0.00 C ATOM 193 CG TYR A 13 -0.428 7.657 -0.875 1.00 0.00 C ATOM 194 CD1 TYR A 13 0.056 7.083 0.296 1.00 0.00 C ATOM 195 CD2 TYR A 13 0.067 8.924 -1.232 1.00 0.00 C ATOM 196 CE1 TYR A 13 0.988 7.732 1.078 1.00 0.00 C ATOM 197 CE2 TYR A 13 0.995 9.569 -0.449 1.00 0.00 C ATOM 198 CZ TYR A 13 1.450 8.971 0.705 1.00 0.00 C ATOM 199 OH TYR A 13 2.383 9.605 1.481 1.00 0.00 O ATOM 0 H TYR A 13 -1.809 4.624 -0.196 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.246 7.182 -0.561 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.959 6.115 -2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.821 7.622 -2.494 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.305 6.111 0.598 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.287 9.398 -2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.354 7.267 1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.366 10.541 -0.738 1.00 0.00 H new ATOM 0 HH TYR A 13 3.185 9.046 1.551 1.00 0.00 H new ATOM 209 N TYR A 14 -4.493 6.237 -2.600 1.00 0.00 N ATOM 210 CA TYR A 14 -5.381 5.597 -3.577 1.00 0.00 C ATOM 211 C TYR A 14 -5.162 6.212 -4.961 1.00 0.00 C ATOM 212 O TYR A 14 -5.028 5.502 -5.958 1.00 0.00 O ATOM 213 CB TYR A 14 -6.830 5.749 -3.146 1.00 0.00 C ATOM 214 CG TYR A 14 -7.413 4.507 -2.510 1.00 0.00 C ATOM 215 CD1 TYR A 14 -6.595 3.575 -1.884 1.00 0.00 C ATOM 216 CD2 TYR A 14 -8.782 4.272 -2.527 1.00 0.00 C ATOM 217 CE1 TYR A 14 -7.125 2.443 -1.294 1.00 0.00 C ATOM 218 CE2 TYR A 14 -9.319 3.143 -1.941 1.00 0.00 C ATOM 219 CZ TYR A 14 -8.487 2.233 -1.325 1.00 0.00 C ATOM 220 OH TYR A 14 -9.016 1.108 -0.738 1.00 0.00 O ATOM 0 H TYR A 14 -4.675 7.231 -2.458 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.148 4.533 -3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.904 6.576 -2.440 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.431 6.017 -4.015 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.528 3.738 -1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.437 4.984 -3.007 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.476 1.727 -0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.385 2.974 -1.965 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.993 1.206 0.237 1.00 0.00 H new ATOM 230 N ASN A 15 -5.099 7.541 -4.997 1.00 0.00 N ATOM 231 CA ASN A 15 -4.860 8.289 -6.232 1.00 0.00 C ATOM 232 C ASN A 15 -3.748 9.301 -5.979 1.00 0.00 C ATOM 233 O ASN A 15 -3.976 10.509 -5.963 1.00 0.00 O ATOM 234 CB ASN A 15 -6.135 9.002 -6.689 1.00 0.00 C ATOM 235 CG ASN A 15 -6.727 8.381 -7.938 1.00 0.00 C ATOM 236 OD1 ASN A 15 -6.253 8.618 -9.050 1.00 0.00 O ATOM 237 ND2 ASN A 15 -7.773 7.580 -7.763 1.00 0.00 N ATOM 0 H ASN A 15 -5.212 8.131 -4.172 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.563 7.601 -7.023 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.872 8.972 -5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.913 10.052 -6.879 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.215 7.135 -8.567 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.134 7.411 -6.824 1.00 0.00 H new ATOM 244 N LEU A 16 -2.576 8.767 -5.662 1.00 0.00 N ATOM 245 CA LEU A 16 -1.426 9.549 -5.263 1.00 0.00 C ATOM 246 C LEU A 16 -0.508 10.104 -6.295 1.00 0.00 C ATOM 247 O LEU A 16 -0.576 11.290 -6.604 1.00 0.00 O ATOM 248 CB LEU A 16 -0.594 8.754 -4.280 1.00 0.00 C ATOM 249 CG LEU A 16 -0.523 7.230 -4.470 1.00 0.00 C ATOM 250 CD1 LEU A 16 -0.468 6.794 -5.929 1.00 0.00 C ATOM 251 CD2 LEU A 16 0.679 6.673 -3.734 1.00 0.00 C ATOM 0 H LEU A 16 -2.401 7.762 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.903 10.439 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.424 9.143 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.980 8.949 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.450 6.831 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.419 5.706 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.361 7.143 -6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.416 7.220 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.722 5.593 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.589 7.127 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.591 6.898 -2.671 1.00 0.00 H new ATOM 263 N ASN A 17 0.481 9.350 -6.653 1.00 0.00 N ATOM 264 CA ASN A 17 1.501 9.925 -7.460 1.00 0.00 C ATOM 265 C ASN A 17 2.432 8.932 -8.162 1.00 0.00 C ATOM 266 O ASN A 17 2.101 8.356 -9.200 1.00 0.00 O ATOM 267 CB ASN A 17 2.303 10.779 -6.483 1.00 0.00 C ATOM 268 CG ASN A 17 2.391 10.105 -5.111 1.00 0.00 C ATOM 269 OD1 ASN A 17 2.484 10.771 -4.082 1.00 0.00 O ATOM 270 ND2 ASN A 17 2.367 8.760 -5.103 1.00 0.00 N ATOM 0 H ASN A 17 0.602 8.367 -6.408 1.00 0.00 H new ATOM 0 HA ASN A 17 1.042 10.468 -8.286 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.306 10.943 -6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.836 11.759 -6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.427 8.254 -4.219 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.289 8.246 -5.981 1.00 0.00 H new ATOM 277 N ASP A 18 3.618 8.781 -7.574 1.00 0.00 N ATOM 278 CA ASP A 18 4.663 7.927 -8.073 1.00 0.00 C ATOM 279 C ASP A 18 5.846 8.045 -7.123 1.00 0.00 C ATOM 280 O ASP A 18 7.003 8.071 -7.541 1.00 0.00 O ATOM 281 CB ASP A 18 5.072 8.340 -9.490 1.00 0.00 C ATOM 282 CG ASP A 18 5.820 7.240 -10.219 1.00 0.00 C ATOM 283 OD1 ASP A 18 6.195 6.243 -9.565 1.00 0.00 O ATOM 284 OD2 ASP A 18 6.032 7.377 -11.442 1.00 0.00 O ATOM 0 H ASP A 18 3.873 9.268 -6.715 1.00 0.00 H new ATOM 0 HA ASP A 18 4.314 6.896 -8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.182 8.609 -10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.699 9.230 -9.440 1.00 0.00 H new ATOM 289 N ALA A 19 5.526 8.155 -5.832 1.00 0.00 N ATOM 290 CA ALA A 19 6.532 8.320 -4.797 1.00 0.00 C ATOM 291 C ALA A 19 7.088 9.741 -4.822 1.00 0.00 C ATOM 292 O ALA A 19 8.285 9.946 -4.624 1.00 0.00 O ATOM 293 CB ALA A 19 7.651 7.305 -4.971 1.00 0.00 C ATOM 0 H ALA A 19 4.568 8.132 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 19 6.064 8.148 -3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.394 7.445 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.241 6.297 -4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.121 7.445 -5.945 1.00 0.00 H new ATOM 299 N SER A 20 6.217 10.725 -5.078 1.00 0.00 N ATOM 300 CA SER A 20 6.663 12.116 -5.135 1.00 0.00 C ATOM 301 C SER A 20 5.516 13.131 -5.036 1.00 0.00 C ATOM 302 O SER A 20 5.288 13.706 -3.972 1.00 0.00 O ATOM 303 CB SER A 20 7.458 12.354 -6.419 1.00 0.00 C ATOM 304 OG SER A 20 6.832 11.739 -7.530 1.00 0.00 O ATOM 0 H SER A 20 5.220 10.586 -5.245 1.00 0.00 H new ATOM 0 HA SER A 20 7.295 12.276 -4.261 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.552 13.425 -6.598 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.468 11.960 -6.303 1.00 0.00 H new ATOM 0 HG SER A 20 7.360 11.908 -8.338 1.00 0.00 H new ATOM 310 N LEU A 21 4.827 13.384 -6.152 1.00 0.00 N ATOM 311 CA LEU A 21 3.742 14.379 -6.168 1.00 0.00 C ATOM 312 C LEU A 21 2.973 14.401 -4.838 1.00 0.00 C ATOM 313 O LEU A 21 2.857 15.463 -4.226 1.00 0.00 O ATOM 314 CB LEU A 21 2.804 14.179 -7.359 1.00 0.00 C ATOM 315 CG LEU A 21 3.125 12.990 -8.255 1.00 0.00 C ATOM 316 CD1 LEU A 21 1.858 12.479 -8.901 1.00 0.00 C ATOM 317 CD2 LEU A 21 4.161 13.326 -9.313 1.00 0.00 C ATOM 0 H LEU A 21 4.995 12.923 -7.046 1.00 0.00 H new ATOM 0 HA LEU A 21 4.207 15.357 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.787 14.064 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.819 15.084 -7.967 1.00 0.00 H new ATOM 0 HG LEU A 21 3.556 12.211 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.093 11.629 -9.541 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.155 12.168 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.410 13.271 -9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.355 12.445 -9.925 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.788 14.132 -9.945 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.085 13.642 -8.830 1.00 0.00 H new ATOM 329 N CYS A 22 2.507 13.228 -4.362 1.00 0.00 N ATOM 330 CA CYS A 22 1.824 13.128 -3.050 1.00 0.00 C ATOM 331 C CYS A 22 0.282 13.215 -3.068 1.00 0.00 C ATOM 332 O CYS A 22 -0.269 14.168 -2.516 1.00 0.00 O ATOM 333 CB CYS A 22 2.358 14.228 -2.123 1.00 0.00 C ATOM 334 SG CYS A 22 2.494 13.766 -0.370 1.00 0.00 S ATOM 0 H CYS A 22 2.589 12.342 -4.860 1.00 0.00 H new ATOM 0 HA CYS A 22 2.051 12.121 -2.700 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.342 14.534 -2.479 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.705 15.097 -2.203 1.00 0.00 H new ATOM 339 N ASP A 23 -0.438 12.225 -3.635 1.00 0.00 N ATOM 340 CA ASP A 23 -1.908 12.287 -3.590 1.00 0.00 C ATOM 341 C ASP A 23 -2.543 11.022 -2.936 1.00 0.00 C ATOM 342 O ASP A 23 -3.112 10.125 -3.615 1.00 0.00 O ATOM 343 CB ASP A 23 -2.492 12.562 -4.978 1.00 0.00 C ATOM 344 CG ASP A 23 -3.980 12.850 -4.933 1.00 0.00 C ATOM 345 OD1 ASP A 23 -4.489 13.171 -3.839 1.00 0.00 O ATOM 346 OD2 ASP A 23 -4.636 12.754 -5.992 1.00 0.00 O ATOM 0 H ASP A 23 -0.046 11.410 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.169 13.126 -2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.974 13.410 -5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.311 11.702 -5.622 1.00 0.00 H new ATOM 351 N ASN A 24 -2.436 10.956 -1.613 1.00 0.00 N ATOM 352 CA ASN A 24 -2.975 9.833 -0.855 1.00 0.00 C ATOM 353 C ASN A 24 -4.471 9.674 -1.091 1.00 0.00 C ATOM 354 O ASN A 24 -4.928 8.640 -1.579 1.00 0.00 O ATOM 355 CB ASN A 24 -2.701 10.021 0.639 1.00 0.00 C ATOM 356 CG ASN A 24 -2.976 11.437 1.106 1.00 0.00 C ATOM 357 OD1 ASN A 24 -2.549 12.404 0.478 1.00 0.00 O ATOM 358 ND2 ASN A 24 -3.693 11.563 2.216 1.00 0.00 N ATOM 0 H ASN A 24 -1.980 11.668 -1.043 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.477 8.927 -1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.320 9.327 1.209 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.662 9.768 0.849 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.910 12.491 2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.027 10.732 2.705 1.00 0.00 H new ATOM 365 N VAL A 25 -5.229 10.702 -0.737 1.00 0.00 N ATOM 366 CA VAL A 25 -6.677 10.679 -0.906 1.00 0.00 C ATOM 367 C VAL A 25 -7.302 9.563 -0.071 1.00 0.00 C ATOM 368 O VAL A 25 -6.745 9.157 0.949 1.00 0.00 O ATOM 369 CB VAL A 25 -7.073 10.489 -2.384 1.00 0.00 C ATOM 370 CG1 VAL A 25 -8.275 11.354 -2.729 1.00 0.00 C ATOM 371 CG2 VAL A 25 -5.902 10.803 -3.303 1.00 0.00 C ATOM 0 H VAL A 25 -4.866 11.564 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.054 11.644 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.347 9.445 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.540 11.207 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.118 11.073 -2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.029 12.402 -2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.206 10.662 -4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.589 11.836 -3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.071 10.136 -3.074 1.00 0.00 H new ATOM 381 N LEU A 26 -8.459 9.072 -0.508 1.00 0.00 N ATOM 382 CA LEU A 26 -9.154 8.004 0.204 1.00 0.00 C ATOM 383 C LEU A 26 -8.201 6.860 0.543 1.00 0.00 C ATOM 384 O LEU A 26 -8.088 5.891 -0.208 1.00 0.00 O ATOM 385 CB LEU A 26 -10.321 7.479 -0.636 1.00 0.00 C ATOM 386 CG LEU A 26 -11.144 8.556 -1.347 1.00 0.00 C ATOM 387 CD1 LEU A 26 -12.431 7.964 -1.901 1.00 0.00 C ATOM 388 CD2 LEU A 26 -11.449 9.706 -0.399 1.00 0.00 C ATOM 0 H LEU A 26 -8.934 9.396 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.541 8.416 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.929 6.790 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.984 6.904 0.010 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.558 8.944 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -13.004 8.744 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.191 7.174 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -13.022 7.549 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.035 10.462 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.016 9.334 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.515 10.147 -0.050 1.00 0.00 H new ATOM 400 N ALA A 27 -7.521 6.979 1.678 1.00 0.00 N ATOM 401 CA ALA A 27 -6.582 5.958 2.116 1.00 0.00 C ATOM 402 C ALA A 27 -6.137 6.212 3.555 1.00 0.00 C ATOM 403 O ALA A 27 -5.726 7.318 3.903 1.00 0.00 O ATOM 404 CB ALA A 27 -5.387 5.910 1.181 1.00 0.00 C ATOM 0 H ALA A 27 -7.604 7.774 2.311 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.083 4.990 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.691 5.142 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.724 5.675 0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.886 6.878 1.180 1.00 0.00 H new ATOM 410 N PRO A 28 -6.236 5.186 4.411 1.00 0.00 N ATOM 411 CA PRO A 28 -5.869 5.279 5.826 1.00 0.00 C ATOM 412 C PRO A 28 -4.409 4.932 6.090 1.00 0.00 C ATOM 413 O PRO A 28 -3.672 4.557 5.178 1.00 0.00 O ATOM 414 CB PRO A 28 -6.766 4.213 6.439 1.00 0.00 C ATOM 415 CG PRO A 28 -6.769 3.134 5.410 1.00 0.00 C ATOM 416 CD PRO A 28 -6.739 3.840 4.075 1.00 0.00 C ATOM 0 HA PRO A 28 -5.989 6.287 6.223 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.375 3.858 7.393 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.770 4.592 6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.905 2.480 5.526 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.657 2.508 5.502 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.085 3.332 3.366 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.729 3.883 3.621 1.00 0.00 H new ATOM 424 N ASN A 29 -4.007 5.030 7.356 1.00 0.00 N ATOM 425 CA ASN A 29 -2.647 4.693 7.754 1.00 0.00 C ATOM 426 C ASN A 29 -2.607 3.255 8.246 1.00 0.00 C ATOM 427 O ASN A 29 -3.227 2.917 9.255 1.00 0.00 O ATOM 428 CB ASN A 29 -2.145 5.634 8.851 1.00 0.00 C ATOM 429 CG ASN A 29 -2.842 6.981 8.823 1.00 0.00 C ATOM 430 OD1 ASN A 29 -2.627 7.785 7.917 1.00 0.00 O ATOM 431 ND2 ASN A 29 -3.681 7.234 9.820 1.00 0.00 N ATOM 0 H ASN A 29 -4.606 5.340 8.121 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.994 4.805 6.889 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.300 5.168 9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.071 5.781 8.736 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.177 8.124 9.855 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.829 6.538 10.551 1.00 0.00 H new ATOM 438 N VAL A 30 -1.898 2.405 7.519 1.00 0.00 N ATOM 439 CA VAL A 30 -1.809 0.999 7.876 1.00 0.00 C ATOM 440 C VAL A 30 -0.482 0.402 7.440 1.00 0.00 C ATOM 441 O VAL A 30 0.488 1.120 7.197 1.00 0.00 O ATOM 442 CB VAL A 30 -2.955 0.200 7.226 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.268 0.956 7.361 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.652 -0.082 5.760 1.00 0.00 C ATOM 0 H VAL A 30 -1.378 2.664 6.681 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.887 0.935 8.961 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.046 -0.754 7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.069 0.380 6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.494 1.107 8.417 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.183 1.923 6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.474 -0.647 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.533 0.860 5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.732 -0.661 5.684 1.00 0.00 H new ATOM 454 N THR A 31 -0.457 -0.918 7.323 1.00 0.00 N ATOM 455 CA THR A 31 0.739 -1.619 6.892 1.00 0.00 C ATOM 456 C THR A 31 0.648 -1.918 5.402 1.00 0.00 C ATOM 457 O THR A 31 -0.372 -2.416 4.924 1.00 0.00 O ATOM 458 CB THR A 31 0.917 -2.915 7.684 1.00 0.00 C ATOM 459 OG1 THR A 31 -0.330 -3.558 7.882 1.00 0.00 O ATOM 460 CG2 THR A 31 1.545 -2.703 9.045 1.00 0.00 C ATOM 0 H THR A 31 -1.253 -1.524 7.521 1.00 0.00 H new ATOM 0 HA THR A 31 1.606 -0.985 7.077 1.00 0.00 H new ATOM 0 HB THR A 31 1.587 -3.530 7.084 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.330 -4.422 7.419 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.643 -3.662 9.554 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.531 -2.254 8.925 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.914 -2.040 9.638 1.00 0.00 H new ATOM 468 N LYS A 32 1.713 -1.598 4.675 1.00 0.00 N ATOM 469 CA LYS A 32 1.762 -1.816 3.232 1.00 0.00 C ATOM 470 C LYS A 32 0.903 -3.011 2.820 1.00 0.00 C ATOM 471 O LYS A 32 0.009 -2.889 1.982 1.00 0.00 O ATOM 472 CB LYS A 32 3.210 -2.037 2.796 1.00 0.00 C ATOM 473 CG LYS A 32 3.951 -3.053 3.647 1.00 0.00 C ATOM 474 CD LYS A 32 5.366 -2.592 3.958 1.00 0.00 C ATOM 475 CE LYS A 32 6.255 -2.649 2.727 1.00 0.00 C ATOM 476 NZ LYS A 32 7.361 -1.654 2.792 1.00 0.00 N ATOM 0 H LYS A 32 2.560 -1.184 5.064 1.00 0.00 H new ATOM 0 HA LYS A 32 1.361 -0.931 2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.222 -2.367 1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.742 -1.086 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.407 -3.216 4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.985 -4.010 3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.341 -1.572 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.789 -3.219 4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.674 -3.651 2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.654 -2.465 1.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.992 -1.783 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.965 -0.693 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.900 -1.791 3.671 1.00 0.00 H new ATOM 490 N GLN A 33 1.186 -4.158 3.420 1.00 0.00 N ATOM 491 CA GLN A 33 0.454 -5.387 3.133 1.00 0.00 C ATOM 492 C GLN A 33 -1.037 -5.126 2.943 1.00 0.00 C ATOM 493 O GLN A 33 -1.626 -5.542 1.946 1.00 0.00 O ATOM 494 CB GLN A 33 0.663 -6.390 4.265 1.00 0.00 C ATOM 495 CG GLN A 33 2.120 -6.543 4.660 1.00 0.00 C ATOM 496 CD GLN A 33 2.549 -7.993 4.764 1.00 0.00 C ATOM 497 OE1 GLN A 33 3.576 -8.390 4.213 1.00 0.00 O ATOM 498 NE2 GLN A 33 1.762 -8.793 5.472 1.00 0.00 N ATOM 0 H GLN A 33 1.924 -4.265 4.116 1.00 0.00 H new ATOM 0 HA GLN A 33 0.842 -5.796 2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.088 -6.073 5.135 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.271 -7.360 3.960 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.746 -6.035 3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.286 -6.050 5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.920 -8.421 5.912 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.999 -9.780 5.576 1.00 0.00 H new ATOM 507 N GLU A 34 -1.647 -4.447 3.907 1.00 0.00 N ATOM 508 CA GLU A 34 -3.073 -4.147 3.845 1.00 0.00 C ATOM 509 C GLU A 34 -3.370 -3.058 2.820 1.00 0.00 C ATOM 510 O GLU A 34 -4.141 -3.265 1.881 1.00 0.00 O ATOM 511 CB GLU A 34 -3.584 -3.716 5.221 1.00 0.00 C ATOM 512 CG GLU A 34 -2.736 -4.226 6.373 1.00 0.00 C ATOM 513 CD GLU A 34 -2.410 -5.702 6.249 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.245 -6.450 5.696 1.00 0.00 O ATOM 515 OE2 GLU A 34 -1.320 -6.110 6.703 1.00 0.00 O ATOM 0 H GLU A 34 -1.177 -4.094 4.741 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.589 -5.056 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.619 -2.627 5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.606 -4.073 5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.808 -3.655 6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.262 -4.052 7.312 1.00 0.00 H new ATOM 522 N CYS A 35 -2.763 -1.895 3.015 1.00 0.00 N ATOM 523 CA CYS A 35 -2.971 -0.763 2.121 1.00 0.00 C ATOM 524 C CYS A 35 -2.936 -1.185 0.651 1.00 0.00 C ATOM 525 O CYS A 35 -3.929 -1.035 -0.061 1.00 0.00 O ATOM 526 CB CYS A 35 -1.927 0.321 2.397 1.00 0.00 C ATOM 527 SG CYS A 35 -1.626 1.448 0.997 1.00 0.00 S ATOM 0 H CYS A 35 -2.121 -1.710 3.786 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.965 -0.360 2.317 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.249 0.908 3.258 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.987 -0.158 2.671 1.00 0.00 H new ATOM 532 N CYS A 36 -1.801 -1.707 0.192 1.00 0.00 N ATOM 533 CA CYS A 36 -1.679 -2.132 -1.202 1.00 0.00 C ATOM 534 C CYS A 36 -2.686 -3.228 -1.525 1.00 0.00 C ATOM 535 O CYS A 36 -3.415 -3.141 -2.512 1.00 0.00 O ATOM 536 CB CYS A 36 -0.265 -2.624 -1.511 1.00 0.00 C ATOM 537 SG CYS A 36 1.058 -1.589 -0.805 1.00 0.00 S ATOM 0 H CYS A 36 -0.962 -1.845 0.756 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.888 -1.263 -1.826 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.156 -3.641 -1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.137 -2.670 -2.592 1.00 0.00 H new ATOM 542 N CYS A 37 -2.727 -4.257 -0.685 1.00 0.00 N ATOM 543 CA CYS A 37 -3.656 -5.361 -0.891 1.00 0.00 C ATOM 544 C CYS A 37 -5.021 -4.834 -1.322 1.00 0.00 C ATOM 545 O CYS A 37 -5.773 -5.521 -2.013 1.00 0.00 O ATOM 546 CB CYS A 37 -3.786 -6.193 0.386 1.00 0.00 C ATOM 547 SG CYS A 37 -4.984 -7.560 0.267 1.00 0.00 S ATOM 0 H CYS A 37 -2.132 -4.349 0.139 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.265 -5.999 -1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.808 -6.602 0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.080 -5.537 1.205 1.00 0.00 H new ATOM 552 N THR A 38 -5.330 -3.604 -0.917 1.00 0.00 N ATOM 553 CA THR A 38 -6.599 -2.980 -1.271 1.00 0.00 C ATOM 554 C THR A 38 -6.656 -2.702 -2.768 1.00 0.00 C ATOM 555 O THR A 38 -7.685 -2.910 -3.410 1.00 0.00 O ATOM 556 CB THR A 38 -6.787 -1.676 -0.493 1.00 0.00 C ATOM 557 OG1 THR A 38 -6.032 -1.690 0.706 1.00 0.00 O ATOM 558 CG2 THR A 38 -8.229 -1.404 -0.126 1.00 0.00 C ATOM 0 H THR A 38 -4.719 -3.022 -0.344 1.00 0.00 H new ATOM 0 HA THR A 38 -7.404 -3.667 -1.009 1.00 0.00 H new ATOM 0 HB THR A 38 -6.443 -0.888 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.308 -1.032 0.644 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.294 -0.465 0.424 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.829 -1.335 -1.034 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.605 -2.216 0.497 1.00 0.00 H new ATOM 566 N SER A 39 -5.533 -2.235 -3.315 1.00 0.00 N ATOM 567 CA SER A 39 -5.434 -1.932 -4.739 1.00 0.00 C ATOM 568 C SER A 39 -5.841 -0.495 -5.037 1.00 0.00 C ATOM 569 O SER A 39 -7.021 -0.157 -4.957 1.00 0.00 O ATOM 570 CB SER A 39 -6.301 -2.895 -5.550 1.00 0.00 C ATOM 571 OG SER A 39 -5.939 -2.878 -6.921 1.00 0.00 O ATOM 0 H SER A 39 -4.677 -2.059 -2.789 1.00 0.00 H new ATOM 0 HA SER A 39 -4.390 -2.055 -5.028 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.194 -3.905 -5.155 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.351 -2.621 -5.445 1.00 0.00 H new ATOM 0 HG SER A 39 -6.725 -3.081 -7.469 1.00 0.00 H new ATOM 577 N GLY A 40 -4.873 0.359 -5.395 1.00 0.00 N ATOM 578 CA GLY A 40 -5.233 1.730 -5.696 1.00 0.00 C ATOM 579 C GLY A 40 -4.084 2.707 -5.939 1.00 0.00 C ATOM 580 O GLY A 40 -4.159 3.505 -6.874 1.00 0.00 O ATOM 0 H GLY A 40 -3.882 0.131 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.870 1.728 -6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.835 2.112 -4.871 1.00 0.00 H new ATOM 584 N ALA A 41 -3.060 2.728 -5.080 1.00 0.00 N ATOM 585 CA ALA A 41 -1.994 3.717 -5.237 1.00 0.00 C ATOM 586 C ALA A 41 -0.642 3.267 -4.712 1.00 0.00 C ATOM 587 O ALA A 41 0.201 2.793 -5.471 1.00 0.00 O ATOM 588 CB ALA A 41 -2.448 4.960 -4.525 1.00 0.00 C ATOM 0 H ALA A 41 -2.949 2.091 -4.291 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.832 3.884 -6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.682 5.731 -4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.376 5.317 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.615 4.735 -3.472 1.00 0.00 H new ATOM 594 N GLY A 42 -0.423 3.458 -3.414 1.00 0.00 N ATOM 595 CA GLY A 42 0.849 3.103 -2.828 1.00 0.00 C ATOM 596 C GLY A 42 0.837 3.187 -1.319 1.00 0.00 C ATOM 597 O GLY A 42 -0.185 3.513 -0.715 1.00 0.00 O ATOM 0 H GLY A 42 -1.103 3.851 -2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.114 2.090 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.622 3.764 -3.219 1.00 0.00 H new ATOM 601 N TRP A 43 1.976 2.891 -0.706 1.00 0.00 N ATOM 602 CA TRP A 43 2.086 2.935 0.747 1.00 0.00 C ATOM 603 C TRP A 43 3.391 3.598 1.182 1.00 0.00 C ATOM 604 O TRP A 43 4.479 3.128 0.845 1.00 0.00 O ATOM 605 CB TRP A 43 2.000 1.520 1.316 1.00 0.00 C ATOM 606 CG TRP A 43 2.075 1.466 2.808 1.00 0.00 C ATOM 607 CD1 TRP A 43 1.045 1.627 3.689 1.00 0.00 C ATOM 608 CD2 TRP A 43 3.244 1.226 3.594 1.00 0.00 C ATOM 609 NE1 TRP A 43 1.504 1.500 4.977 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.851 1.252 4.945 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.586 0.989 3.288 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.752 1.049 5.984 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.477 0.787 4.322 1.00 0.00 C ATOM 614 CH2 TRP A 43 5.057 0.817 5.653 1.00 0.00 C ATOM 0 H TRP A 43 2.832 2.619 -1.189 1.00 0.00 H new ATOM 0 HA TRP A 43 1.260 3.532 1.135 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.065 1.064 0.991 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.809 0.920 0.899 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.020 1.825 3.414 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.935 1.578 5.820 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.920 0.964 2.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.432 1.074 7.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.517 0.603 4.098 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.780 0.653 6.439 1.00 0.00 H new ATOM 625 N GLY A 44 3.278 4.694 1.933 1.00 0.00 N ATOM 626 CA GLY A 44 4.463 5.394 2.397 1.00 0.00 C ATOM 627 C GLY A 44 4.148 6.542 3.341 1.00 0.00 C ATOM 628 O GLY A 44 3.049 6.625 3.891 1.00 0.00 O ATOM 0 H GLY A 44 2.392 5.106 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.121 4.687 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.010 5.779 1.536 1.00 0.00 H new ATOM 632 N ASP A 45 5.126 7.424 3.529 1.00 0.00 N ATOM 633 CA ASP A 45 4.968 8.572 4.415 1.00 0.00 C ATOM 634 C ASP A 45 4.795 9.868 3.626 1.00 0.00 C ATOM 635 O ASP A 45 5.764 10.431 3.117 1.00 0.00 O ATOM 636 CB ASP A 45 6.177 8.692 5.345 1.00 0.00 C ATOM 637 CG ASP A 45 7.493 8.652 4.591 1.00 0.00 C ATOM 638 OD1 ASP A 45 7.837 7.578 4.054 1.00 0.00 O ATOM 639 OD2 ASP A 45 8.179 9.694 4.539 1.00 0.00 O ATOM 0 H ASP A 45 6.039 7.365 3.078 1.00 0.00 H new ATOM 0 HA ASP A 45 4.067 8.411 5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.110 9.625 5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.154 7.881 6.073 1.00 0.00 H new ATOM 644 N ASN A 46 3.551 10.335 3.544 1.00 0.00 N ATOM 645 CA ASN A 46 3.218 11.569 2.832 1.00 0.00 C ATOM 646 C ASN A 46 4.214 11.882 1.715 1.00 0.00 C ATOM 647 O ASN A 46 5.246 12.509 1.955 1.00 0.00 O ATOM 648 CB ASN A 46 3.151 12.742 3.807 1.00 0.00 C ATOM 649 CG ASN A 46 1.788 13.414 3.815 1.00 0.00 C ATOM 650 OD1 ASN A 46 1.320 13.874 4.857 1.00 0.00 O ATOM 651 ND2 ASN A 46 1.139 13.473 2.654 1.00 0.00 N ATOM 0 H ASN A 46 2.747 9.871 3.967 1.00 0.00 H new ATOM 0 HA ASN A 46 2.242 11.418 2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.385 12.389 4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.913 13.475 3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.219 13.911 2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.562 13.080 1.813 1.00 0.00 H new ATOM 658 N CYS A 47 3.876 11.468 0.492 1.00 0.00 N ATOM 659 CA CYS A 47 4.713 11.733 -0.680 1.00 0.00 C ATOM 660 C CYS A 47 5.716 10.614 -0.950 1.00 0.00 C ATOM 661 O CYS A 47 5.955 10.257 -2.104 1.00 0.00 O ATOM 662 CB CYS A 47 5.434 13.069 -0.518 1.00 0.00 C ATOM 663 SG CYS A 47 4.362 14.392 0.129 1.00 0.00 S ATOM 0 H CYS A 47 3.024 10.945 0.287 1.00 0.00 H new ATOM 0 HA CYS A 47 4.052 11.779 -1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.282 12.937 0.154 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.836 13.376 -1.483 1.00 0.00 H new ATOM 668 N GLU A 48 6.296 10.056 0.103 1.00 0.00 N ATOM 669 CA GLU A 48 7.261 8.974 -0.056 1.00 0.00 C ATOM 670 C GLU A 48 6.538 7.635 -0.053 1.00 0.00 C ATOM 671 O GLU A 48 6.653 6.854 0.891 1.00 0.00 O ATOM 672 CB GLU A 48 8.305 9.014 1.061 1.00 0.00 C ATOM 673 CG GLU A 48 8.700 10.423 1.466 1.00 0.00 C ATOM 674 CD GLU A 48 9.926 10.921 0.725 1.00 0.00 C ATOM 675 OE1 GLU A 48 10.776 10.086 0.354 1.00 0.00 O ATOM 676 OE2 GLU A 48 10.033 12.147 0.512 1.00 0.00 O ATOM 0 H GLU A 48 6.118 10.330 1.069 1.00 0.00 H new ATOM 0 HA GLU A 48 7.775 9.101 -1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.914 8.489 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.195 8.474 0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.866 11.099 1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.893 10.448 2.538 1.00 0.00 H new ATOM 683 N ILE A 49 5.769 7.398 -1.111 1.00 0.00 N ATOM 684 CA ILE A 49 4.987 6.177 -1.242 1.00 0.00 C ATOM 685 C ILE A 49 5.669 5.129 -2.104 1.00 0.00 C ATOM 686 O ILE A 49 6.581 5.421 -2.878 1.00 0.00 O ATOM 687 CB ILE A 49 3.614 6.469 -1.869 1.00 0.00 C ATOM 688 CG1 ILE A 49 3.003 7.716 -1.253 1.00 0.00 C ATOM 689 CG2 ILE A 49 2.684 5.280 -1.709 1.00 0.00 C ATOM 690 CD1 ILE A 49 3.107 8.922 -2.150 1.00 0.00 C ATOM 0 H ILE A 49 5.672 8.043 -1.895 1.00 0.00 H new ATOM 0 HA ILE A 49 4.880 5.790 -0.229 1.00 0.00 H new ATOM 0 HB ILE A 49 3.755 6.646 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.954 7.527 -1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.500 7.929 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.719 5.510 -2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.117 4.410 -2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.547 5.065 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.654 9.782 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.156 9.133 -2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.586 8.725 -3.087 1.00 0.00 H new ATOM 702 N PHE A 50 5.167 3.911 -1.980 1.00 0.00 N ATOM 703 CA PHE A 50 5.647 2.784 -2.753 1.00 0.00 C ATOM 704 C PHE A 50 4.526 2.329 -3.676 1.00 0.00 C ATOM 705 O PHE A 50 3.612 1.617 -3.255 1.00 0.00 O ATOM 706 CB PHE A 50 6.085 1.645 -1.825 1.00 0.00 C ATOM 707 CG PHE A 50 5.949 0.275 -2.428 1.00 0.00 C ATOM 708 CD1 PHE A 50 6.837 -0.161 -3.398 1.00 0.00 C ATOM 709 CD2 PHE A 50 4.935 -0.578 -2.020 1.00 0.00 C ATOM 710 CE1 PHE A 50 6.715 -1.423 -3.951 1.00 0.00 C ATOM 711 CE2 PHE A 50 4.808 -1.839 -2.570 1.00 0.00 C ATOM 712 CZ PHE A 50 5.699 -2.262 -3.536 1.00 0.00 C ATOM 0 H PHE A 50 4.411 3.678 -1.336 1.00 0.00 H new ATOM 0 HA PHE A 50 6.515 3.077 -3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.125 1.803 -1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.493 1.688 -0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.633 0.491 -3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.236 -0.253 -1.263 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.413 -1.752 -4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.013 -2.493 -2.245 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.602 -3.248 -3.967 1.00 0.00 H new ATOM 722 N PRO A 51 4.568 2.767 -4.944 1.00 0.00 N ATOM 723 CA PRO A 51 3.550 2.438 -5.936 1.00 0.00 C ATOM 724 C PRO A 51 3.045 1.009 -5.809 1.00 0.00 C ATOM 725 O PRO A 51 3.696 0.065 -6.257 1.00 0.00 O ATOM 726 CB PRO A 51 4.293 2.637 -7.252 1.00 0.00 C ATOM 727 CG PRO A 51 5.264 3.735 -6.971 1.00 0.00 C ATOM 728 CD PRO A 51 5.613 3.643 -5.504 1.00 0.00 C ATOM 0 HA PRO A 51 2.654 3.050 -5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.804 1.725 -7.561 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.609 2.908 -8.057 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.156 3.630 -7.588 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.828 4.706 -7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.608 3.223 -5.356 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.608 4.624 -5.030 1.00 0.00 H new ATOM 736 N CYS A 52 1.874 0.858 -5.202 1.00 0.00 N ATOM 737 CA CYS A 52 1.277 -0.455 -5.025 1.00 0.00 C ATOM 738 C CYS A 52 -0.242 -0.387 -5.029 1.00 0.00 C ATOM 739 O CYS A 52 -0.865 0.613 -4.618 1.00 0.00 O ATOM 740 CB CYS A 52 1.758 -1.109 -3.730 1.00 0.00 C ATOM 741 SG CYS A 52 1.374 -0.166 -2.219 1.00 0.00 S ATOM 0 H CYS A 52 1.322 1.629 -4.826 1.00 0.00 H new ATOM 0 HA CYS A 52 1.597 -1.064 -5.871 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.309 -2.099 -3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.837 -1.252 -3.789 1.00 0.00 H new ATOM 746 N PRO A 53 -0.863 -1.467 -5.498 1.00 0.00 N ATOM 747 CA PRO A 53 -0.178 -2.655 -5.989 1.00 0.00 C ATOM 748 C PRO A 53 -0.089 -2.671 -7.512 1.00 0.00 C ATOM 749 O PRO A 53 -0.229 -1.634 -8.161 1.00 0.00 O ATOM 750 CB PRO A 53 -1.117 -3.748 -5.506 1.00 0.00 C ATOM 751 CG PRO A 53 -2.480 -3.143 -5.631 1.00 0.00 C ATOM 752 CD PRO A 53 -2.303 -1.636 -5.596 1.00 0.00 C ATOM 0 HA PRO A 53 0.853 -2.741 -5.645 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.024 -4.649 -6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.901 -4.033 -4.476 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.956 -3.454 -6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.125 -3.474 -4.817 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.703 -1.164 -6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.818 -1.191 -4.745 1.00 0.00 H new ATOM 760 N VAL A 54 0.128 -3.852 -8.080 1.00 0.00 N ATOM 761 CA VAL A 54 0.215 -4.000 -9.523 1.00 0.00 C ATOM 762 C VAL A 54 -0.894 -4.915 -10.042 1.00 0.00 C ATOM 763 O VAL A 54 -1.057 -5.086 -11.250 1.00 0.00 O ATOM 764 CB VAL A 54 1.580 -4.568 -9.945 1.00 0.00 C ATOM 765 CG1 VAL A 54 2.549 -3.443 -10.275 1.00 0.00 C ATOM 766 CG2 VAL A 54 2.142 -5.463 -8.854 1.00 0.00 C ATOM 0 H VAL A 54 0.247 -4.721 -7.559 1.00 0.00 H new ATOM 0 HA VAL A 54 0.098 -3.007 -9.957 1.00 0.00 H new ATOM 0 HB VAL A 54 1.442 -5.170 -10.843 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.509 -3.865 -10.571 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.147 -2.845 -11.093 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.686 -2.811 -9.397 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.108 -5.857 -9.168 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.266 -4.886 -7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.455 -6.290 -8.672 1.00 0.00 H new ATOM 776 N LEU A 55 -1.654 -5.497 -9.115 1.00 0.00 N ATOM 777 CA LEU A 55 -2.753 -6.392 -9.468 1.00 0.00 C ATOM 778 C LEU A 55 -2.258 -7.579 -10.287 1.00 0.00 C ATOM 779 O LEU A 55 -1.635 -7.409 -11.335 1.00 0.00 O ATOM 780 CB LEU A 55 -3.827 -5.634 -10.246 1.00 0.00 C ATOM 781 CG LEU A 55 -5.207 -5.608 -9.586 1.00 0.00 C ATOM 782 CD1 LEU A 55 -5.089 -5.228 -8.119 1.00 0.00 C ATOM 783 CD2 LEU A 55 -6.128 -4.643 -10.317 1.00 0.00 C ATOM 0 H LEU A 55 -1.527 -5.364 -8.112 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.183 -6.772 -8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.492 -4.607 -10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.922 -6.082 -11.235 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.638 -6.607 -9.647 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.080 -5.215 -7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.464 -5.957 -7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.638 -4.239 -8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.105 -4.637 -9.835 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.702 -3.640 -10.287 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.237 -4.960 -11.354 1.00 0.00 H new ATOM 795 N GLY A 56 -2.542 -8.784 -9.801 1.00 0.00 N ATOM 796 CA GLY A 56 -2.120 -9.983 -10.499 1.00 0.00 C ATOM 797 C GLY A 56 -0.727 -9.850 -11.079 1.00 0.00 C ATOM 798 O GLY A 56 -0.512 -10.107 -12.264 1.00 0.00 O ATOM 0 H GLY A 56 -3.057 -8.950 -8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.146 -10.829 -9.812 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.826 -10.202 -11.301 1.00 0.00 H new ATOM 802 N THR A 57 0.221 -9.443 -10.242 1.00 0.00 N ATOM 803 CA THR A 57 1.601 -9.269 -10.677 1.00 0.00 C ATOM 804 C THR A 57 2.574 -9.682 -9.582 1.00 0.00 C ATOM 805 O THR A 57 2.236 -10.462 -8.694 1.00 0.00 O ATOM 806 CB THR A 57 1.851 -7.815 -11.073 1.00 0.00 C ATOM 807 OG1 THR A 57 0.647 -7.074 -11.031 1.00 0.00 O ATOM 808 CG2 THR A 57 2.434 -7.664 -12.462 1.00 0.00 C ATOM 0 H THR A 57 0.059 -9.227 -9.258 1.00 0.00 H new ATOM 0 HA THR A 57 1.765 -9.910 -11.543 1.00 0.00 H new ATOM 0 HB THR A 57 2.575 -7.438 -10.351 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.002 -7.463 -11.658 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.587 -6.607 -12.680 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.389 -8.187 -12.515 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.747 -8.089 -13.193 1.00 0.00 H new ATOM 816 N ALA A 58 3.787 -9.153 -9.662 1.00 0.00 N ATOM 817 CA ALA A 58 4.830 -9.458 -8.691 1.00 0.00 C ATOM 818 C ALA A 58 4.592 -8.743 -7.365 1.00 0.00 C ATOM 819 O ALA A 58 4.473 -9.379 -6.317 1.00 0.00 O ATOM 820 CB ALA A 58 6.184 -9.068 -9.256 1.00 0.00 C ATOM 0 H ALA A 58 4.075 -8.505 -10.395 1.00 0.00 H new ATOM 0 HA ALA A 58 4.807 -10.530 -8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.962 -9.297 -8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.370 -9.626 -10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.194 -8.000 -9.473 1.00 0.00 H new ATOM 826 N GLU A 59 4.538 -7.417 -7.416 1.00 0.00 N ATOM 827 CA GLU A 59 4.331 -6.611 -6.220 1.00 0.00 C ATOM 828 C GLU A 59 3.143 -7.116 -5.405 1.00 0.00 C ATOM 829 O GLU A 59 3.316 -7.841 -4.425 1.00 0.00 O ATOM 830 CB GLU A 59 4.118 -5.145 -6.601 1.00 0.00 C ATOM 831 CG GLU A 59 5.184 -4.214 -6.050 1.00 0.00 C ATOM 832 CD GLU A 59 6.258 -3.890 -7.070 1.00 0.00 C ATOM 833 OE1 GLU A 59 6.037 -4.157 -8.271 1.00 0.00 O ATOM 834 OE2 GLU A 59 7.320 -3.369 -6.670 1.00 0.00 O ATOM 0 H GLU A 59 4.635 -6.877 -8.276 1.00 0.00 H new ATOM 0 HA GLU A 59 5.225 -6.697 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.099 -5.059 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.142 -4.822 -6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.715 -3.289 -5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.645 -4.673 -5.175 1.00 0.00 H new ATOM 841 N PHE A 60 1.940 -6.718 -5.811 1.00 0.00 N ATOM 842 CA PHE A 60 0.720 -7.113 -5.120 1.00 0.00 C ATOM 843 C PHE A 60 0.844 -8.489 -4.472 1.00 0.00 C ATOM 844 O PHE A 60 0.902 -8.601 -3.253 1.00 0.00 O ATOM 845 CB PHE A 60 -0.457 -7.107 -6.091 1.00 0.00 C ATOM 846 CG PHE A 60 -1.800 -7.120 -5.409 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.080 -8.041 -4.408 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.782 -6.207 -5.761 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.302 -8.049 -3.776 1.00 0.00 C ATOM 850 CE2 PHE A 60 -4.011 -6.214 -5.129 1.00 0.00 C ATOM 851 CZ PHE A 60 -4.270 -7.136 -4.135 1.00 0.00 C ATOM 0 H PHE A 60 1.786 -6.118 -6.621 1.00 0.00 H new ATOM 0 HA PHE A 60 0.549 -6.387 -4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.389 -6.223 -6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.382 -7.976 -6.745 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.328 -8.761 -4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.585 -5.483 -6.537 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.503 -8.771 -2.998 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.768 -5.498 -5.413 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.230 -7.142 -3.639 1.00 0.00 H new ATOM 861 N THR A 61 0.845 -9.539 -5.281 1.00 0.00 N ATOM 862 CA THR A 61 0.928 -10.895 -4.750 1.00 0.00 C ATOM 863 C THR A 61 1.907 -10.969 -3.582 1.00 0.00 C ATOM 864 O THR A 61 1.574 -11.487 -2.516 1.00 0.00 O ATOM 865 CB THR A 61 1.330 -11.872 -5.848 1.00 0.00 C ATOM 866 OG1 THR A 61 1.341 -13.202 -5.358 1.00 0.00 O ATOM 867 CG2 THR A 61 2.694 -11.586 -6.437 1.00 0.00 C ATOM 0 H THR A 61 0.790 -9.481 -6.298 1.00 0.00 H new ATOM 0 HA THR A 61 -0.058 -11.174 -4.379 1.00 0.00 H new ATOM 0 HB THR A 61 0.583 -11.747 -6.632 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.600 -13.814 -6.078 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.917 -12.319 -7.212 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.701 -10.586 -6.871 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.449 -11.647 -5.653 1.00 0.00 H new ATOM 875 N GLU A 62 3.111 -10.440 -3.781 1.00 0.00 N ATOM 876 CA GLU A 62 4.123 -10.443 -2.730 1.00 0.00 C ATOM 877 C GLU A 62 3.610 -9.693 -1.505 1.00 0.00 C ATOM 878 O GLU A 62 4.001 -9.978 -0.373 1.00 0.00 O ATOM 879 CB GLU A 62 5.415 -9.798 -3.234 1.00 0.00 C ATOM 880 CG GLU A 62 5.958 -10.434 -4.503 1.00 0.00 C ATOM 881 CD GLU A 62 7.130 -11.359 -4.237 1.00 0.00 C ATOM 882 OE1 GLU A 62 7.375 -11.682 -3.056 1.00 0.00 O ATOM 883 OE2 GLU A 62 7.804 -11.760 -5.210 1.00 0.00 O ATOM 0 H GLU A 62 3.408 -10.006 -4.655 1.00 0.00 H new ATOM 0 HA GLU A 62 4.332 -11.476 -2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.235 -8.739 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.172 -9.862 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.162 -10.994 -4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.268 -9.650 -5.194 1.00 0.00 H new ATOM 890 N MET A 63 2.725 -8.735 -1.751 1.00 0.00 N ATOM 891 CA MET A 63 2.131 -7.930 -0.693 1.00 0.00 C ATOM 892 C MET A 63 1.050 -8.712 0.044 1.00 0.00 C ATOM 893 O MET A 63 1.215 -9.080 1.207 1.00 0.00 O ATOM 894 CB MET A 63 1.528 -6.652 -1.282 1.00 0.00 C ATOM 895 CG MET A 63 0.751 -5.829 -0.278 1.00 0.00 C ATOM 896 SD MET A 63 1.710 -4.434 0.342 1.00 0.00 S ATOM 897 CE MET A 63 3.258 -5.238 0.747 1.00 0.00 C ATOM 0 H MET A 63 2.400 -8.495 -2.688 1.00 0.00 H new ATOM 0 HA MET A 63 2.916 -7.669 0.016 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.329 -6.041 -1.698 1.00 0.00 H new ATOM 0 HB3 MET A 63 0.869 -6.919 -2.108 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.164 -5.462 -0.742 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.453 -6.463 0.557 1.00 0.00 H new ATOM 0 HE1 MET A 63 3.963 -4.499 1.128 1.00 0.00 H new ATOM 0 HE2 MET A 63 3.084 -5.999 1.507 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.670 -5.706 -0.147 1.00 0.00 H new ATOM 907 N CYS A 64 -0.061 -8.954 -0.645 1.00 0.00 N ATOM 908 CA CYS A 64 -1.180 -9.684 -0.063 1.00 0.00 C ATOM 909 C CYS A 64 -1.109 -11.167 -0.412 1.00 0.00 C ATOM 910 O CYS A 64 -1.460 -11.574 -1.519 1.00 0.00 O ATOM 911 CB CYS A 64 -2.504 -9.098 -0.556 1.00 0.00 C ATOM 912 SG CYS A 64 -3.868 -9.212 0.646 1.00 0.00 S ATOM 0 H CYS A 64 -0.210 -8.654 -1.609 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.122 -9.583 1.021 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.350 -8.050 -0.815 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.797 -9.613 -1.471 1.00 0.00 H new ATOM 917 N PRO A 65 -0.654 -11.995 0.540 1.00 0.00 N ATOM 918 CA PRO A 65 -0.539 -13.442 0.342 1.00 0.00 C ATOM 919 C PRO A 65 -1.900 -14.129 0.329 1.00 0.00 C ATOM 920 O PRO A 65 -1.994 -15.341 0.134 1.00 0.00 O ATOM 921 CB PRO A 65 0.280 -13.897 1.550 1.00 0.00 C ATOM 922 CG PRO A 65 -0.011 -12.887 2.605 1.00 0.00 C ATOM 923 CD PRO A 65 -0.222 -11.581 1.886 1.00 0.00 C ATOM 0 HA PRO A 65 -0.084 -13.692 -0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.009 -14.898 1.870 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.344 -13.931 1.317 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.897 -13.165 3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.815 -12.813 3.312 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.977 -10.969 2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.693 -10.990 1.850 1.00 0.00 H new ATOM 931 N LYS A 66 -2.953 -13.345 0.538 1.00 0.00 N ATOM 932 CA LYS A 66 -4.311 -13.872 0.550 1.00 0.00 C ATOM 933 C LYS A 66 -5.033 -13.547 -0.756 1.00 0.00 C ATOM 934 O LYS A 66 -5.283 -14.432 -1.574 1.00 0.00 O ATOM 935 CB LYS A 66 -5.092 -13.298 1.734 1.00 0.00 C ATOM 936 CG LYS A 66 -5.941 -14.329 2.462 1.00 0.00 C ATOM 937 CD LYS A 66 -5.703 -14.282 3.963 1.00 0.00 C ATOM 938 CE LYS A 66 -6.454 -15.394 4.680 1.00 0.00 C ATOM 939 NZ LYS A 66 -5.812 -15.751 5.975 1.00 0.00 N ATOM 0 H LYS A 66 -2.890 -12.340 0.702 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.253 -14.956 0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.390 -12.854 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.737 -12.495 1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.995 -14.148 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.708 -15.325 2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.636 -14.372 4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.022 -13.315 4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.483 -15.081 4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.496 -16.275 4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.353 -16.512 6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.839 -16.074 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.795 -14.917 6.596 1.00 0.00 H new ATOM 953 N GLY A 67 -5.364 -12.274 -0.942 1.00 0.00 N ATOM 954 CA GLY A 67 -6.053 -11.857 -2.149 1.00 0.00 C ATOM 955 C GLY A 67 -6.203 -10.351 -2.242 1.00 0.00 C ATOM 956 O GLY A 67 -5.471 -9.605 -1.592 1.00 0.00 O ATOM 0 H GLY A 67 -5.168 -11.524 -0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.505 -12.219 -3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.040 -12.320 -2.178 1.00 0.00 H new ATOM 960 N LYS A 68 -7.157 -9.905 -3.053 1.00 0.00 N ATOM 961 CA LYS A 68 -7.403 -8.479 -3.230 1.00 0.00 C ATOM 962 C LYS A 68 -8.792 -8.101 -2.727 1.00 0.00 C ATOM 963 O LYS A 68 -9.761 -8.831 -2.940 1.00 0.00 O ATOM 964 CB LYS A 68 -7.261 -8.094 -4.704 1.00 0.00 C ATOM 965 CG LYS A 68 -7.532 -6.623 -4.976 1.00 0.00 C ATOM 966 CD LYS A 68 -8.539 -6.440 -6.100 1.00 0.00 C ATOM 967 CE LYS A 68 -9.270 -5.114 -5.983 1.00 0.00 C ATOM 968 NZ LYS A 68 -10.711 -5.301 -5.652 1.00 0.00 N ATOM 0 H LYS A 68 -7.772 -10.510 -3.597 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.662 -7.933 -2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.253 -8.337 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.948 -8.697 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.907 -6.147 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.599 -6.122 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.026 -6.490 -7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.260 -7.257 -6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.797 -4.505 -5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.181 -4.566 -6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.174 -4.373 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.169 -5.860 -6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.797 -5.801 -4.744 1.00 0.00 H new ATOM 982 N GLY A 69 -8.883 -6.956 -2.060 1.00 0.00 N ATOM 983 CA GLY A 69 -10.158 -6.501 -1.539 1.00 0.00 C ATOM 984 C GLY A 69 -10.277 -6.692 -0.041 1.00 0.00 C ATOM 985 O GLY A 69 -11.200 -6.171 0.587 1.00 0.00 O ATOM 0 H GLY A 69 -8.096 -6.335 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.288 -5.446 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.963 -7.042 -2.036 1.00 0.00 H new ATOM 989 N PHE A 70 -9.342 -7.440 0.537 1.00 0.00 N ATOM 990 CA PHE A 70 -9.350 -7.697 1.972 1.00 0.00 C ATOM 991 C PHE A 70 -9.395 -6.388 2.755 1.00 0.00 C ATOM 992 O PHE A 70 -9.762 -6.366 3.929 1.00 0.00 O ATOM 993 CB PHE A 70 -8.116 -8.505 2.374 1.00 0.00 C ATOM 994 CG PHE A 70 -8.434 -9.693 3.238 1.00 0.00 C ATOM 995 CD1 PHE A 70 -9.580 -10.441 3.014 1.00 0.00 C ATOM 996 CD2 PHE A 70 -7.589 -10.060 4.272 1.00 0.00 C ATOM 997 CE1 PHE A 70 -9.876 -11.533 3.807 1.00 0.00 C ATOM 998 CE2 PHE A 70 -7.880 -11.153 5.067 1.00 0.00 C ATOM 999 CZ PHE A 70 -9.025 -11.890 4.834 1.00 0.00 C ATOM 0 H PHE A 70 -8.570 -7.878 0.034 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.244 -8.274 2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.606 -8.847 1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.422 -7.854 2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -10.248 -10.167 2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.693 -9.486 4.459 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -10.772 -12.107 3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.213 -11.430 5.870 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.254 -12.744 5.454 1.00 0.00 H new ATOM 1009 N VAL A 71 -9.022 -5.299 2.091 1.00 0.00 N ATOM 1010 CA VAL A 71 -9.021 -3.982 2.718 1.00 0.00 C ATOM 1011 C VAL A 71 -10.200 -3.146 2.228 1.00 0.00 C ATOM 1012 O VAL A 71 -10.597 -3.238 1.067 1.00 0.00 O ATOM 1013 CB VAL A 71 -7.711 -3.225 2.425 1.00 0.00 C ATOM 1014 CG1 VAL A 71 -7.776 -1.803 2.963 1.00 0.00 C ATOM 1015 CG2 VAL A 71 -6.520 -3.968 3.010 1.00 0.00 C ATOM 0 H VAL A 71 -8.716 -5.302 1.118 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.109 -4.138 3.793 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.583 -3.172 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.840 -1.288 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.602 -1.272 2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.933 -1.829 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.605 -3.417 2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.641 -4.058 4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.459 -4.963 2.568 1.00 0.00 H new ATOM 1025 N PRO A 72 -10.774 -2.317 3.112 1.00 0.00 N ATOM 1026 CA PRO A 72 -11.910 -1.457 2.779 1.00 0.00 C ATOM 1027 C PRO A 72 -11.735 -0.755 1.437 1.00 0.00 C ATOM 1028 O PRO A 72 -10.666 -0.811 0.830 1.00 0.00 O ATOM 1029 CB PRO A 72 -11.937 -0.429 3.925 1.00 0.00 C ATOM 1030 CG PRO A 72 -10.716 -0.701 4.746 1.00 0.00 C ATOM 1031 CD PRO A 72 -10.369 -2.139 4.507 1.00 0.00 C ATOM 0 HA PRO A 72 -12.833 -2.028 2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.928 0.590 3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.842 -0.534 4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.895 -0.047 4.452 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.908 -0.516 5.803 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.306 -2.333 4.652 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.909 -2.807 5.178 1.00 0.00 H new ATOM 1039 N ALA A 73 -12.796 -0.096 0.979 1.00 0.00 N ATOM 1040 CA ALA A 73 -12.763 0.616 -0.293 1.00 0.00 C ATOM 1041 C ALA A 73 -12.799 -0.356 -1.464 1.00 0.00 C ATOM 1042 O ALA A 73 -13.810 -0.474 -2.157 1.00 0.00 O ATOM 1043 CB ALA A 73 -11.527 1.498 -0.372 1.00 0.00 C ATOM 0 H ALA A 73 -13.688 -0.041 1.470 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.649 1.248 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.515 2.023 -1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.545 2.224 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.633 0.880 -0.287 1.00 0.00 H new ATOM 1049 N GLY A 74 -11.690 -1.052 -1.678 1.00 0.00 N ATOM 1050 CA GLY A 74 -11.611 -2.009 -2.765 1.00 0.00 C ATOM 1051 C GLY A 74 -12.592 -3.153 -2.601 1.00 0.00 C ATOM 1052 O GLY A 74 -12.868 -3.886 -3.550 1.00 0.00 O ATOM 0 H GLY A 74 -10.842 -0.971 -1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.806 -1.500 -3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.598 -2.408 -2.821 1.00 0.00 H new ATOM 1056 N GLU A 75 -13.121 -3.307 -1.390 1.00 0.00 N ATOM 1057 CA GLU A 75 -14.077 -4.370 -1.102 1.00 0.00 C ATOM 1058 C GLU A 75 -15.340 -4.209 -1.943 1.00 0.00 C ATOM 1059 O GLU A 75 -16.087 -5.199 -2.082 1.00 0.00 O ATOM 1060 CB GLU A 75 -14.438 -4.372 0.384 1.00 0.00 C ATOM 1061 CG GLU A 75 -15.511 -3.362 0.753 1.00 0.00 C ATOM 1062 CD GLU A 75 -16.849 -4.013 1.046 1.00 0.00 C ATOM 1063 OE1 GLU A 75 -16.857 -5.188 1.468 1.00 0.00 O ATOM 1064 OE2 GLU A 75 -17.888 -3.346 0.855 1.00 0.00 O ATOM 1065 OXT GLU A 75 -15.570 -3.094 -2.457 1.00 0.00 O ATOM 0 H GLU A 75 -12.903 -2.709 -0.593 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.611 -5.322 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.778 -5.369 0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.541 -4.165 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.187 -2.796 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.629 -2.649 -0.063 1.00 0.00 H new TER 1072 GLU A 75