USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 674 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 168:sc=-0.00162 (180deg=-0.116) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -150:sc= -0.528 (180deg=-1.02) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 34:sc= -3.4! USER MOD Single : A 23 SER OG : rot -36:sc= 0.179 USER MOD Single : A 25 SER OG : rot 97:sc= -0.675! USER MOD Single : A 28 ASN : amide:sc= -1.93! K(o=-1.9!,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -4.63! C(o=-4.6!,f=-2.5!) USER MOD Single : A 43 SER OG : rot 38:sc= -1.45! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 99:sc= -4.7! USER MOD Single : A 61 HIS : no HD1:sc= -8.23! K(o=-8.2!,f=-5.7) USER MOD Single : A 64 MET CE :methyl -171:sc= -0.0293 (180deg=-0.181) USER MOD Single : A 74 MET CE :methyl -118:sc= -3.25! (180deg=-6.82!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 94:sc= -0.446 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 50:sc= 0.518 USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 7 -11.665 -2.549 17.791 1.00 0.00 N ATOM 16 CA TRP A 7 -11.060 -1.997 16.548 1.00 0.00 C ATOM 17 C TRP A 7 -10.121 -3.030 15.926 1.00 0.00 C ATOM 18 O TRP A 7 -9.318 -3.635 16.605 1.00 0.00 O ATOM 19 CB TRP A 7 -10.277 -0.768 17.010 1.00 0.00 C ATOM 20 CG TRP A 7 -9.530 -0.183 15.856 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.875 -0.316 14.557 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.320 0.626 15.879 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.952 0.360 13.778 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.974 0.956 14.549 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.497 1.100 16.915 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.850 1.730 14.257 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.365 1.878 16.626 1.00 0.00 C ATOM 28 CH2 TRP A 7 -6.042 2.194 15.299 1.00 0.00 C ATOM 0 HA TRP A 7 -11.805 -1.746 15.793 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.958 -0.027 17.428 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.582 -1.045 17.803 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.731 -0.861 14.187 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.990 0.411 12.760 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.737 0.864 17.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.606 1.969 13.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.739 2.235 17.431 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.171 2.795 15.082 1.00 0.00 H new ATOM 39 N ALA A 8 -10.218 -3.237 14.642 1.00 0.00 N ATOM 40 CA ALA A 8 -9.331 -4.235 13.980 1.00 0.00 C ATOM 41 C ALA A 8 -7.912 -4.138 14.536 1.00 0.00 C ATOM 42 O ALA A 8 -7.188 -5.112 14.602 1.00 0.00 O ATOM 43 CB ALA A 8 -9.343 -3.855 12.509 1.00 0.00 C ATOM 0 H ALA A 8 -10.872 -2.759 14.023 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.670 -5.257 14.146 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.711 -4.545 11.950 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.363 -3.908 12.128 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.964 -2.840 12.392 1.00 0.00 H new ATOM 49 N VAL A 9 -7.510 -2.965 14.936 1.00 0.00 N ATOM 50 CA VAL A 9 -6.136 -2.793 15.487 1.00 0.00 C ATOM 51 C VAL A 9 -6.167 -2.904 17.013 1.00 0.00 C ATOM 52 O VAL A 9 -6.979 -2.287 17.674 1.00 0.00 O ATOM 53 CB VAL A 9 -5.710 -1.389 15.054 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.373 -1.036 15.705 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.563 -1.352 13.530 1.00 0.00 C ATOM 0 H VAL A 9 -8.074 -2.116 14.905 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.444 -3.554 15.128 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.465 -0.667 15.366 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.071 -0.036 15.396 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.478 -1.064 16.790 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.616 -1.756 15.395 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.259 -0.353 13.218 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.808 -2.074 13.220 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.517 -1.603 13.066 1.00 0.00 H new ATOM 65 N LYS A 10 -5.291 -3.689 17.575 1.00 0.00 N ATOM 66 CA LYS A 10 -5.270 -3.846 19.058 1.00 0.00 C ATOM 67 C LYS A 10 -4.248 -2.887 19.676 1.00 0.00 C ATOM 68 O LYS A 10 -3.600 -2.138 18.973 1.00 0.00 O ATOM 69 CB LYS A 10 -4.855 -5.299 19.287 1.00 0.00 C ATOM 70 CG LYS A 10 -6.029 -6.079 19.881 1.00 0.00 C ATOM 71 CD LYS A 10 -5.604 -7.527 20.130 1.00 0.00 C ATOM 72 CE LYS A 10 -6.723 -8.270 20.865 1.00 0.00 C ATOM 73 NZ LYS A 10 -6.329 -9.705 20.813 1.00 0.00 N ATOM 0 H LYS A 10 -4.587 -4.230 17.072 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.232 -3.618 19.517 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.543 -5.752 18.346 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.999 -5.342 19.960 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.351 -5.618 20.814 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.880 -6.050 19.201 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.386 -8.021 19.183 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.688 -7.552 20.720 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.818 -7.923 21.894 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.687 -8.107 20.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.048 -10.280 21.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.253 -10.008 19.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.410 -9.830 21.284 1.00 0.00 H new ATOM 87 N PRO A 11 -4.135 -2.946 20.978 1.00 0.00 N ATOM 88 CA PRO A 11 -3.176 -2.071 21.697 1.00 0.00 C ATOM 89 C PRO A 11 -1.741 -2.502 21.396 1.00 0.00 C ATOM 90 O PRO A 11 -0.853 -1.685 21.254 1.00 0.00 O ATOM 91 CB PRO A 11 -3.521 -2.288 23.168 1.00 0.00 C ATOM 92 CG PRO A 11 -4.170 -3.633 23.215 1.00 0.00 C ATOM 93 CD PRO A 11 -4.873 -3.823 21.895 1.00 0.00 C ATOM 0 HA PRO A 11 -3.245 -1.023 21.405 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.628 -2.258 23.792 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.193 -1.512 23.535 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.428 -4.415 23.374 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.878 -3.692 24.042 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.839 -4.863 21.569 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.925 -3.543 21.957 1.00 0.00 H new ATOM 101 N GLU A 12 -1.508 -3.780 21.286 1.00 0.00 N ATOM 102 CA GLU A 12 -0.131 -4.258 20.982 1.00 0.00 C ATOM 103 C GLU A 12 0.223 -3.919 19.536 1.00 0.00 C ATOM 104 O GLU A 12 1.377 -3.776 19.183 1.00 0.00 O ATOM 105 CB GLU A 12 -0.179 -5.771 21.187 1.00 0.00 C ATOM 106 CG GLU A 12 -1.278 -6.371 20.311 1.00 0.00 C ATOM 107 CD GLU A 12 -0.723 -7.579 19.554 1.00 0.00 C ATOM 108 OE1 GLU A 12 -0.407 -8.564 20.200 1.00 0.00 O ATOM 109 OE2 GLU A 12 -0.624 -7.498 18.340 1.00 0.00 O ATOM 0 H GLU A 12 -2.210 -4.512 21.393 1.00 0.00 H new ATOM 0 HA GLU A 12 0.623 -3.792 21.616 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.784 -6.213 20.934 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.369 -6.000 22.235 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.125 -6.672 20.927 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.645 -5.624 19.607 1.00 0.00 H new ATOM 116 N ASP A 13 -0.768 -3.769 18.699 1.00 0.00 N ATOM 117 CA ASP A 13 -0.497 -3.416 17.280 1.00 0.00 C ATOM 118 C ASP A 13 -0.306 -1.909 17.181 1.00 0.00 C ATOM 119 O ASP A 13 0.577 -1.422 16.503 1.00 0.00 O ATOM 120 CB ASP A 13 -1.742 -3.858 16.510 1.00 0.00 C ATOM 121 CG ASP A 13 -1.344 -4.850 15.415 1.00 0.00 C ATOM 122 OD1 ASP A 13 -0.175 -4.884 15.069 1.00 0.00 O ATOM 123 OD2 ASP A 13 -2.216 -5.560 14.942 1.00 0.00 O ATOM 0 H ASP A 13 -1.754 -3.876 18.939 1.00 0.00 H new ATOM 0 HA ASP A 13 0.399 -3.893 16.883 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.458 -4.320 17.190 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.235 -2.992 16.068 1.00 0.00 H new ATOM 128 N LYS A 14 -1.122 -1.170 17.873 1.00 0.00 N ATOM 129 CA LYS A 14 -0.991 0.309 17.848 1.00 0.00 C ATOM 130 C LYS A 14 0.324 0.712 18.511 1.00 0.00 C ATOM 131 O LYS A 14 0.834 1.794 18.299 1.00 0.00 O ATOM 132 CB LYS A 14 -2.181 0.822 18.655 1.00 0.00 C ATOM 133 CG LYS A 14 -1.925 2.265 19.098 1.00 0.00 C ATOM 134 CD LYS A 14 -1.748 3.155 17.867 1.00 0.00 C ATOM 135 CE LYS A 14 -2.868 4.197 17.826 1.00 0.00 C ATOM 136 NZ LYS A 14 -2.466 5.154 16.758 1.00 0.00 N ATOM 0 H LYS A 14 -1.877 -1.528 18.457 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.984 0.717 16.837 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.088 0.772 18.053 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.341 0.188 19.527 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.758 2.624 19.702 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.034 2.311 19.724 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.777 3.650 17.899 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.767 2.549 16.961 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.829 3.735 17.600 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.974 4.700 18.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.838 6.099 16.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.428 5.195 16.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.851 4.837 15.845 1.00 0.00 H new ATOM 150 N ALA A 15 0.881 -0.157 19.310 1.00 0.00 N ATOM 151 CA ALA A 15 2.168 0.173 19.981 1.00 0.00 C ATOM 152 C ALA A 15 3.294 0.108 18.957 1.00 0.00 C ATOM 153 O ALA A 15 4.154 0.965 18.906 1.00 0.00 O ATOM 154 CB ALA A 15 2.349 -0.895 21.060 1.00 0.00 C ATOM 0 H ALA A 15 0.501 -1.079 19.526 1.00 0.00 H new ATOM 0 HA ALA A 15 2.175 1.173 20.414 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.280 -0.715 21.597 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.513 -0.852 21.758 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.383 -1.880 20.595 1.00 0.00 H new ATOM 160 N LYS A 16 3.282 -0.890 18.117 1.00 0.00 N ATOM 161 CA LYS A 16 4.334 -0.986 17.075 1.00 0.00 C ATOM 162 C LYS A 16 3.966 -0.023 15.944 1.00 0.00 C ATOM 163 O LYS A 16 4.813 0.475 15.228 1.00 0.00 O ATOM 164 CB LYS A 16 4.330 -2.462 16.635 1.00 0.00 C ATOM 165 CG LYS A 16 3.619 -2.639 15.291 1.00 0.00 C ATOM 166 CD LYS A 16 3.945 -4.017 14.713 1.00 0.00 C ATOM 167 CE LYS A 16 2.903 -5.033 15.185 1.00 0.00 C ATOM 168 NZ LYS A 16 3.648 -5.953 16.087 1.00 0.00 N ATOM 0 H LYS A 16 2.590 -1.639 18.109 1.00 0.00 H new ATOM 0 HA LYS A 16 5.332 -0.709 17.413 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.355 -2.823 16.557 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.835 -3.069 17.393 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.542 -2.534 15.422 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.933 -1.859 14.597 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.956 -3.972 13.624 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.940 -4.329 15.029 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.083 -4.543 15.710 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.467 -5.572 14.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.001 -6.680 16.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.418 -6.409 15.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.046 -5.413 16.882 1.00 0.00 H new ATOM 182 N TYR A 17 2.696 0.255 15.802 1.00 0.00 N ATOM 183 CA TYR A 17 2.252 1.201 14.745 1.00 0.00 C ATOM 184 C TYR A 17 2.666 2.613 15.153 1.00 0.00 C ATOM 185 O TYR A 17 3.006 3.442 14.332 1.00 0.00 O ATOM 186 CB TYR A 17 0.722 1.092 14.714 1.00 0.00 C ATOM 187 CG TYR A 17 0.286 -0.276 14.229 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.227 -1.290 14.015 1.00 0.00 C ATOM 189 CD2 TYR A 17 -1.073 -0.527 13.996 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.812 -2.552 13.573 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.489 -1.789 13.551 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.547 -2.802 13.339 1.00 0.00 C ATOM 193 OH TYR A 17 -0.955 -4.046 12.903 1.00 0.00 O ATOM 0 H TYR A 17 1.948 -0.135 16.376 1.00 0.00 H new ATOM 0 HA TYR A 17 2.687 0.980 13.770 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.320 1.274 15.711 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.312 1.862 14.060 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.275 -1.098 14.191 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.801 0.254 14.160 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.540 -3.334 13.412 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.537 -1.980 13.372 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.382 -4.736 13.299 1.00 0.00 H new ATOM 203 N ASP A 18 2.638 2.883 16.430 1.00 0.00 N ATOM 204 CA ASP A 18 3.028 4.236 16.923 1.00 0.00 C ATOM 205 C ASP A 18 4.551 4.340 17.006 1.00 0.00 C ATOM 206 O ASP A 18 5.104 5.409 17.170 1.00 0.00 O ATOM 207 CB ASP A 18 2.408 4.344 18.316 1.00 0.00 C ATOM 208 CG ASP A 18 1.073 5.087 18.226 1.00 0.00 C ATOM 209 OD1 ASP A 18 0.812 5.671 17.186 1.00 0.00 O ATOM 210 OD2 ASP A 18 0.336 5.060 19.197 1.00 0.00 O ATOM 0 H ASP A 18 2.361 2.222 17.156 1.00 0.00 H new ATOM 0 HA ASP A 18 2.686 5.034 16.263 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.255 3.350 18.735 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.085 4.872 18.987 1.00 0.00 H new ATOM 215 N ALA A 19 5.232 3.238 16.861 1.00 0.00 N ATOM 216 CA ALA A 19 6.718 3.274 16.897 1.00 0.00 C ATOM 217 C ALA A 19 7.198 3.402 15.463 1.00 0.00 C ATOM 218 O ALA A 19 8.157 4.083 15.162 1.00 0.00 O ATOM 219 CB ALA A 19 7.147 1.937 17.497 1.00 0.00 C ATOM 0 H ALA A 19 4.823 2.315 16.719 1.00 0.00 H new ATOM 0 HA ALA A 19 7.125 4.100 17.480 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.235 1.896 17.553 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.728 1.836 18.498 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.785 1.123 16.869 1.00 0.00 H new ATOM 225 N ILE A 20 6.489 2.773 14.571 1.00 0.00 N ATOM 226 CA ILE A 20 6.829 2.861 13.139 1.00 0.00 C ATOM 227 C ILE A 20 6.359 4.219 12.638 1.00 0.00 C ATOM 228 O ILE A 20 7.000 4.861 11.835 1.00 0.00 O ATOM 229 CB ILE A 20 6.022 1.745 12.492 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.651 0.390 12.813 1.00 0.00 C ATOM 231 CG2 ILE A 20 5.997 1.951 10.988 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.634 -0.713 12.518 1.00 0.00 C ATOM 0 H ILE A 20 5.677 2.194 14.784 1.00 0.00 H new ATOM 0 HA ILE A 20 7.893 2.762 12.923 1.00 0.00 H new ATOM 0 HB ILE A 20 5.005 1.764 12.883 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.551 0.242 12.216 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.953 0.354 13.860 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.420 1.153 10.521 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.537 2.913 10.760 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.016 1.935 10.602 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.074 -1.684 12.744 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.747 -0.564 13.134 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.354 -0.678 11.465 1.00 0.00 H new ATOM 244 N PHE A 21 5.237 4.664 13.139 1.00 0.00 N ATOM 245 CA PHE A 21 4.712 5.989 12.733 1.00 0.00 C ATOM 246 C PHE A 21 5.695 7.067 13.194 1.00 0.00 C ATOM 247 O PHE A 21 5.918 8.056 12.524 1.00 0.00 O ATOM 248 CB PHE A 21 3.360 6.111 13.454 1.00 0.00 C ATOM 249 CG PHE A 21 3.084 7.552 13.813 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.726 8.129 14.915 1.00 0.00 C ATOM 251 CD2 PHE A 21 2.193 8.311 13.046 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.478 9.463 15.251 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.943 9.646 13.382 1.00 0.00 C ATOM 254 CZ PHE A 21 2.587 10.221 14.485 1.00 0.00 C ATOM 0 H PHE A 21 4.663 4.160 13.815 1.00 0.00 H new ATOM 0 HA PHE A 21 4.591 6.103 11.656 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.564 5.730 12.815 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.365 5.499 14.356 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.414 7.543 15.506 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.698 7.866 12.195 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.974 9.908 16.101 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.254 10.232 12.792 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.395 11.252 14.744 1.00 0.00 H new ATOM 264 N ASP A 22 6.283 6.868 14.339 1.00 0.00 N ATOM 265 CA ASP A 22 7.258 7.858 14.867 1.00 0.00 C ATOM 266 C ASP A 22 8.672 7.508 14.388 1.00 0.00 C ATOM 267 O ASP A 22 9.626 8.201 14.682 1.00 0.00 O ATOM 268 CB ASP A 22 7.141 7.750 16.387 1.00 0.00 C ATOM 269 CG ASP A 22 8.401 8.312 17.047 1.00 0.00 C ATOM 270 OD1 ASP A 22 9.433 7.666 16.954 1.00 0.00 O ATOM 271 OD2 ASP A 22 8.315 9.377 17.635 1.00 0.00 O ATOM 0 H ASP A 22 6.128 6.055 14.936 1.00 0.00 H new ATOM 0 HA ASP A 22 7.059 8.873 14.523 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.264 8.297 16.733 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.002 6.708 16.677 1.00 0.00 H new ATOM 276 N SER A 23 8.810 6.451 13.631 1.00 0.00 N ATOM 277 CA SER A 23 10.158 6.078 13.111 1.00 0.00 C ATOM 278 C SER A 23 10.367 6.738 11.747 1.00 0.00 C ATOM 279 O SER A 23 11.393 6.587 11.113 1.00 0.00 O ATOM 280 CB SER A 23 10.135 4.555 12.974 1.00 0.00 C ATOM 281 OG SER A 23 11.440 4.093 12.653 1.00 0.00 O ATOM 0 H SER A 23 8.049 5.832 13.351 1.00 0.00 H new ATOM 0 HA SER A 23 10.967 6.403 13.766 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.794 4.100 13.904 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.430 4.259 12.197 1.00 0.00 H new ATOM 0 HG SER A 23 11.879 4.739 12.061 1.00 0.00 H new ATOM 287 N LEU A 24 9.390 7.480 11.304 1.00 0.00 N ATOM 288 CA LEU A 24 9.488 8.179 9.991 1.00 0.00 C ATOM 289 C LEU A 24 9.634 9.677 10.240 1.00 0.00 C ATOM 290 O LEU A 24 9.811 10.456 9.325 1.00 0.00 O ATOM 291 CB LEU A 24 8.154 7.922 9.271 1.00 0.00 C ATOM 292 CG LEU A 24 7.523 6.607 9.725 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.088 6.522 9.198 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.333 5.439 9.171 1.00 0.00 C ATOM 0 H LEU A 24 8.514 7.634 11.804 1.00 0.00 H new ATOM 0 HA LEU A 24 10.338 7.828 9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.467 8.745 9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.319 7.896 8.194 1.00 0.00 H new ATOM 0 HG LEU A 24 7.516 6.564 10.814 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.637 5.584 9.521 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.507 7.358 9.588 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.097 6.564 8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.884 4.500 9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.338 5.484 8.082 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.357 5.498 9.541 1.00 0.00 H new ATOM 306 N SER A 25 9.513 10.078 11.481 1.00 0.00 N ATOM 307 CA SER A 25 9.592 11.527 11.838 1.00 0.00 C ATOM 308 C SER A 25 8.241 12.168 11.541 1.00 0.00 C ATOM 309 O SER A 25 8.030 12.735 10.488 1.00 0.00 O ATOM 310 CB SER A 25 10.695 12.139 10.975 1.00 0.00 C ATOM 311 OG SER A 25 11.692 11.158 10.719 1.00 0.00 O ATOM 0 H SER A 25 9.361 9.453 12.273 1.00 0.00 H new ATOM 0 HA SER A 25 9.821 11.684 12.892 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.278 12.503 10.036 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.135 12.997 11.482 1.00 0.00 H new ATOM 0 HG SER A 25 11.529 10.747 9.844 1.00 0.00 H new ATOM 317 N PRO A 26 7.366 12.023 12.490 1.00 0.00 N ATOM 318 CA PRO A 26 5.995 12.558 12.361 1.00 0.00 C ATOM 319 C PRO A 26 6.015 14.079 12.395 1.00 0.00 C ATOM 320 O PRO A 26 6.862 14.691 13.015 1.00 0.00 O ATOM 321 CB PRO A 26 5.269 11.989 13.575 1.00 0.00 C ATOM 322 CG PRO A 26 6.348 11.712 14.568 1.00 0.00 C ATOM 323 CD PRO A 26 7.580 11.360 13.777 1.00 0.00 C ATOM 0 HA PRO A 26 5.513 12.284 11.422 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.541 12.698 13.969 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.723 11.081 13.320 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.528 12.583 15.198 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.065 10.893 15.229 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.486 11.718 14.266 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.686 10.282 13.659 1.00 0.00 H new ATOM 331 N VAL A 27 5.087 14.689 11.732 1.00 0.00 N ATOM 332 CA VAL A 27 5.038 16.173 11.720 1.00 0.00 C ATOM 333 C VAL A 27 3.787 16.643 12.455 1.00 0.00 C ATOM 334 O VAL A 27 2.688 16.558 11.945 1.00 0.00 O ATOM 335 CB VAL A 27 4.985 16.554 10.243 1.00 0.00 C ATOM 336 CG1 VAL A 27 5.069 18.076 10.109 1.00 0.00 C ATOM 337 CG2 VAL A 27 6.166 15.906 9.514 1.00 0.00 C ATOM 0 H VAL A 27 4.355 14.226 11.194 1.00 0.00 H new ATOM 0 HA VAL A 27 5.893 16.632 12.217 1.00 0.00 H new ATOM 0 HB VAL A 27 4.051 16.204 9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.031 18.351 9.055 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.231 18.534 10.634 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.005 18.428 10.543 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.133 16.175 8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.101 16.259 9.950 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.105 14.822 9.615 1.00 0.00 H new ATOM 347 N ASN A 28 3.944 17.119 13.658 1.00 0.00 N ATOM 348 CA ASN A 28 2.760 17.574 14.434 1.00 0.00 C ATOM 349 C ASN A 28 1.783 16.406 14.602 1.00 0.00 C ATOM 350 O ASN A 28 0.605 16.594 14.838 1.00 0.00 O ATOM 351 CB ASN A 28 2.143 18.689 13.588 1.00 0.00 C ATOM 352 CG ASN A 28 0.985 19.331 14.350 1.00 0.00 C ATOM 353 OD1 ASN A 28 1.169 20.302 15.056 1.00 0.00 O ATOM 354 ND2 ASN A 28 -0.210 18.822 14.234 1.00 0.00 N ATOM 0 H ASN A 28 4.840 17.212 14.136 1.00 0.00 H new ATOM 0 HA ASN A 28 3.014 17.926 15.434 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.897 19.440 13.353 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.788 18.285 12.640 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.993 19.239 14.737 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.362 18.007 13.640 1.00 0.00 H new ATOM 361 N GLY A 29 2.269 15.198 14.481 1.00 0.00 N ATOM 362 CA GLY A 29 1.381 14.010 14.631 1.00 0.00 C ATOM 363 C GLY A 29 0.859 13.589 13.256 1.00 0.00 C ATOM 364 O GLY A 29 -0.289 13.222 13.102 1.00 0.00 O ATOM 0 H GLY A 29 3.247 14.984 14.284 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.929 13.188 15.091 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.547 14.247 15.292 1.00 0.00 H new ATOM 368 N PHE A 30 1.693 13.654 12.254 1.00 0.00 N ATOM 369 CA PHE A 30 1.245 13.273 10.882 1.00 0.00 C ATOM 370 C PHE A 30 2.404 12.714 10.054 1.00 0.00 C ATOM 371 O PHE A 30 3.561 12.964 10.328 1.00 0.00 O ATOM 372 CB PHE A 30 0.755 14.577 10.271 1.00 0.00 C ATOM 373 CG PHE A 30 -0.534 14.962 10.934 1.00 0.00 C ATOM 374 CD1 PHE A 30 -1.739 14.483 10.427 1.00 0.00 C ATOM 375 CD2 PHE A 30 -0.521 15.789 12.059 1.00 0.00 C ATOM 376 CE1 PHE A 30 -2.946 14.834 11.044 1.00 0.00 C ATOM 377 CE2 PHE A 30 -1.722 16.142 12.678 1.00 0.00 C ATOM 378 CZ PHE A 30 -2.937 15.665 12.171 1.00 0.00 C ATOM 0 H PHE A 30 2.665 13.954 12.325 1.00 0.00 H new ATOM 0 HA PHE A 30 0.481 12.496 10.907 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.499 15.362 10.407 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.608 14.460 9.197 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.743 13.841 9.558 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.417 16.155 12.450 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.882 14.465 10.651 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.714 16.783 13.547 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.866 15.938 12.649 1.00 0.00 H new ATOM 388 N LEU A 31 2.089 11.981 9.022 1.00 0.00 N ATOM 389 CA LEU A 31 3.157 11.426 8.141 1.00 0.00 C ATOM 390 C LEU A 31 2.782 11.674 6.683 1.00 0.00 C ATOM 391 O LEU A 31 1.672 11.408 6.265 1.00 0.00 O ATOM 392 CB LEU A 31 3.215 9.927 8.423 1.00 0.00 C ATOM 393 CG LEU A 31 3.772 9.686 9.825 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.421 8.267 10.273 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.292 9.850 9.799 1.00 0.00 C ATOM 0 H LEU A 31 1.136 11.741 8.750 1.00 0.00 H new ATOM 0 HA LEU A 31 4.123 11.894 8.329 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.219 9.493 8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.843 9.432 7.682 1.00 0.00 H new ATOM 0 HG LEU A 31 3.339 10.405 10.520 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.817 8.093 11.273 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.338 8.147 10.286 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.857 7.548 9.579 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.694 9.679 10.798 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.724 9.128 9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.544 10.860 9.475 1.00 0.00 H new ATOM 407 N SER A 32 3.693 12.187 5.913 1.00 0.00 N ATOM 408 CA SER A 32 3.389 12.469 4.480 1.00 0.00 C ATOM 409 C SER A 32 3.459 11.195 3.648 1.00 0.00 C ATOM 410 O SER A 32 4.308 10.353 3.849 1.00 0.00 O ATOM 411 CB SER A 32 4.463 13.457 4.032 1.00 0.00 C ATOM 412 OG SER A 32 5.656 12.748 3.723 1.00 0.00 O ATOM 0 H SER A 32 4.639 12.425 6.211 1.00 0.00 H new ATOM 0 HA SER A 32 2.383 12.868 4.352 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.120 14.013 3.159 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.654 14.186 4.819 1.00 0.00 H new ATOM 0 HG SER A 32 6.347 13.380 3.433 1.00 0.00 H new ATOM 418 N GLY A 33 2.571 11.052 2.705 1.00 0.00 N ATOM 419 CA GLY A 33 2.599 9.837 1.849 1.00 0.00 C ATOM 420 C GLY A 33 4.022 9.641 1.332 1.00 0.00 C ATOM 421 O GLY A 33 4.431 8.545 1.008 1.00 0.00 O ATOM 0 H GLY A 33 1.831 11.721 2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.280 8.965 2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.905 9.945 1.016 1.00 0.00 H new ATOM 425 N ASP A 34 4.785 10.699 1.267 1.00 0.00 N ATOM 426 CA ASP A 34 6.192 10.575 0.785 1.00 0.00 C ATOM 427 C ASP A 34 7.072 10.013 1.904 1.00 0.00 C ATOM 428 O ASP A 34 8.198 9.613 1.688 1.00 0.00 O ATOM 429 CB ASP A 34 6.616 12.002 0.426 1.00 0.00 C ATOM 430 CG ASP A 34 5.693 12.552 -0.664 1.00 0.00 C ATOM 431 OD1 ASP A 34 4.503 12.649 -0.412 1.00 0.00 O ATOM 432 OD2 ASP A 34 6.192 12.865 -1.732 1.00 0.00 O ATOM 0 H ASP A 34 4.496 11.642 1.526 1.00 0.00 H new ATOM 0 HA ASP A 34 6.286 9.902 -0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.572 12.639 1.310 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.649 12.009 0.079 1.00 0.00 H new ATOM 437 N LYS A 35 6.552 9.971 3.100 1.00 0.00 N ATOM 438 CA LYS A 35 7.323 9.428 4.248 1.00 0.00 C ATOM 439 C LYS A 35 6.911 7.980 4.474 1.00 0.00 C ATOM 440 O LYS A 35 7.723 7.094 4.653 1.00 0.00 O ATOM 441 CB LYS A 35 6.893 10.292 5.428 1.00 0.00 C ATOM 442 CG LYS A 35 7.462 9.716 6.721 1.00 0.00 C ATOM 443 CD LYS A 35 7.377 10.777 7.818 1.00 0.00 C ATOM 444 CE LYS A 35 8.162 12.012 7.384 1.00 0.00 C ATOM 445 NZ LYS A 35 7.154 13.107 7.322 1.00 0.00 N ATOM 0 H LYS A 35 5.613 10.295 3.331 1.00 0.00 H new ATOM 0 HA LYS A 35 8.402 9.447 4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.243 11.315 5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.805 10.332 5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.905 8.826 7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.498 9.410 6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.336 11.040 8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.780 10.385 8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.955 12.245 8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.637 11.857 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.640 14.022 7.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.534 12.962 6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.583 13.103 8.191 1.00 0.00 H new ATOM 459 N VAL A 36 5.634 7.755 4.467 1.00 0.00 N ATOM 460 CA VAL A 36 5.095 6.386 4.677 1.00 0.00 C ATOM 461 C VAL A 36 5.210 5.548 3.402 1.00 0.00 C ATOM 462 O VAL A 36 5.387 4.347 3.450 1.00 0.00 O ATOM 463 CB VAL A 36 3.628 6.617 5.010 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.942 5.269 5.212 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.530 7.457 6.282 1.00 0.00 C ATOM 0 H VAL A 36 4.925 8.474 4.322 1.00 0.00 H new ATOM 0 HA VAL A 36 5.636 5.846 5.454 1.00 0.00 H new ATOM 0 HB VAL A 36 3.136 7.147 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.890 5.428 5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.021 4.680 4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.423 4.735 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.481 7.626 6.526 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.014 6.930 7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.025 8.415 6.124 1.00 0.00 H new ATOM 475 N LYS A 37 5.088 6.172 2.265 1.00 0.00 N ATOM 476 CA LYS A 37 5.166 5.414 0.982 1.00 0.00 C ATOM 477 C LYS A 37 6.267 4.351 1.040 1.00 0.00 C ATOM 478 O LYS A 37 6.005 3.187 0.810 1.00 0.00 O ATOM 479 CB LYS A 37 5.471 6.467 -0.089 1.00 0.00 C ATOM 480 CG LYS A 37 6.060 5.796 -1.330 1.00 0.00 C ATOM 481 CD LYS A 37 5.568 6.521 -2.584 1.00 0.00 C ATOM 482 CE LYS A 37 4.765 5.550 -3.452 1.00 0.00 C ATOM 483 NZ LYS A 37 3.334 5.879 -3.187 1.00 0.00 N ATOM 0 H LYS A 37 4.937 7.176 2.166 1.00 0.00 H new ATOM 0 HA LYS A 37 4.241 4.879 0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.560 7.003 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.172 7.204 0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.149 5.820 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.765 4.747 -1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.949 7.373 -2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.415 6.913 -3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.008 5.672 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.986 4.515 -3.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.724 5.252 -3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.129 5.747 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.151 6.868 -3.451 1.00 0.00 H new ATOM 497 N PRO A 38 7.461 4.773 1.355 1.00 0.00 N ATOM 498 CA PRO A 38 8.592 3.817 1.445 1.00 0.00 C ATOM 499 C PRO A 38 8.330 2.831 2.576 1.00 0.00 C ATOM 500 O PRO A 38 8.723 1.682 2.526 1.00 0.00 O ATOM 501 CB PRO A 38 9.795 4.711 1.735 1.00 0.00 C ATOM 502 CG PRO A 38 9.211 5.945 2.338 1.00 0.00 C ATOM 503 CD PRO A 38 7.878 6.145 1.667 1.00 0.00 C ATOM 0 HA PRO A 38 8.743 3.217 0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.492 4.227 2.419 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.348 4.939 0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.092 5.834 3.416 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.862 6.804 2.176 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.166 6.645 2.324 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.965 6.755 0.768 1.00 0.00 H new ATOM 511 N VAL A 39 7.645 3.275 3.586 1.00 0.00 N ATOM 512 CA VAL A 39 7.320 2.376 4.723 1.00 0.00 C ATOM 513 C VAL A 39 6.236 1.386 4.293 1.00 0.00 C ATOM 514 O VAL A 39 5.919 0.451 4.999 1.00 0.00 O ATOM 515 CB VAL A 39 6.819 3.308 5.828 1.00 0.00 C ATOM 516 CG1 VAL A 39 5.922 2.537 6.800 1.00 0.00 C ATOM 517 CG2 VAL A 39 8.015 3.882 6.588 1.00 0.00 C ATOM 0 H VAL A 39 7.293 4.228 3.674 1.00 0.00 H new ATOM 0 HA VAL A 39 8.171 1.785 5.061 1.00 0.00 H new ATOM 0 HB VAL A 39 6.244 4.117 5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.571 3.210 7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.067 2.130 6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.489 1.722 7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.660 4.547 7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.589 3.068 7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.649 4.441 5.900 1.00 0.00 H new ATOM 527 N LEU A 40 5.672 1.578 3.137 1.00 0.00 N ATOM 528 CA LEU A 40 4.632 0.629 2.659 1.00 0.00 C ATOM 529 C LEU A 40 5.277 -0.341 1.670 1.00 0.00 C ATOM 530 O LEU A 40 4.744 -1.389 1.367 1.00 0.00 O ATOM 531 CB LEU A 40 3.581 1.491 1.966 1.00 0.00 C ATOM 532 CG LEU A 40 2.840 2.332 3.008 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.700 3.095 2.331 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.264 1.414 4.090 1.00 0.00 C ATOM 0 H LEU A 40 5.885 2.348 2.503 1.00 0.00 H new ATOM 0 HA LEU A 40 4.186 0.043 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.056 2.140 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.876 0.859 1.426 1.00 0.00 H new ATOM 0 HG LEU A 40 3.534 3.040 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.172 3.694 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.107 3.749 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.007 2.386 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.736 2.013 4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.571 0.706 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.074 0.869 4.574 1.00 0.00 H new ATOM 546 N LEU A 41 6.437 0.003 1.176 1.00 0.00 N ATOM 547 CA LEU A 41 7.139 -0.887 0.214 1.00 0.00 C ATOM 548 C LEU A 41 8.023 -1.869 0.971 1.00 0.00 C ATOM 549 O LEU A 41 8.089 -3.037 0.643 1.00 0.00 O ATOM 550 CB LEU A 41 7.999 0.042 -0.631 1.00 0.00 C ATOM 551 CG LEU A 41 7.103 1.035 -1.359 1.00 0.00 C ATOM 552 CD1 LEU A 41 7.815 2.381 -1.435 1.00 0.00 C ATOM 553 CD2 LEU A 41 6.821 0.518 -2.770 1.00 0.00 C ATOM 0 H LEU A 41 6.929 0.868 1.401 1.00 0.00 H new ATOM 0 HA LEU A 41 6.445 -1.468 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.711 0.573 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.580 -0.536 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 41 6.161 1.151 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.181 3.099 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.020 2.741 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.753 2.266 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.180 1.226 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.760 0.408 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.322 -0.449 -2.710 1.00 0.00 H new ATOM 565 N ASN A 42 8.704 -1.412 1.987 1.00 0.00 N ATOM 566 CA ASN A 42 9.569 -2.345 2.749 1.00 0.00 C ATOM 567 C ASN A 42 8.762 -3.596 3.116 1.00 0.00 C ATOM 568 O ASN A 42 9.310 -4.650 3.369 1.00 0.00 O ATOM 569 CB ASN A 42 9.999 -1.577 4.001 1.00 0.00 C ATOM 570 CG ASN A 42 8.839 -1.529 4.994 1.00 0.00 C ATOM 571 OD1 ASN A 42 8.979 -1.936 6.131 1.00 0.00 O ATOM 572 ND2 ASN A 42 7.692 -1.044 4.613 1.00 0.00 N ATOM 0 H ASN A 42 8.697 -0.446 2.316 1.00 0.00 H new ATOM 0 HA ASN A 42 10.438 -2.675 2.179 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.863 -2.060 4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.304 -0.565 3.733 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.911 -1.006 5.268 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.574 -0.702 3.659 1.00 0.00 H new ATOM 579 N SER A 43 7.456 -3.484 3.136 1.00 0.00 N ATOM 580 CA SER A 43 6.610 -4.665 3.473 1.00 0.00 C ATOM 581 C SER A 43 6.693 -5.709 2.353 1.00 0.00 C ATOM 582 O SER A 43 6.155 -6.792 2.462 1.00 0.00 O ATOM 583 CB SER A 43 5.189 -4.115 3.594 1.00 0.00 C ATOM 584 OG SER A 43 4.324 -4.832 2.721 1.00 0.00 O ATOM 0 H SER A 43 6.943 -2.626 2.934 1.00 0.00 H new ATOM 0 HA SER A 43 6.932 -5.157 4.390 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.840 -4.205 4.623 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.176 -3.054 3.344 1.00 0.00 H new ATOM 0 HG SER A 43 4.577 -5.779 2.715 1.00 0.00 H new ATOM 590 N LYS A 44 7.364 -5.386 1.275 1.00 0.00 N ATOM 591 CA LYS A 44 7.488 -6.349 0.137 1.00 0.00 C ATOM 592 C LYS A 44 6.164 -6.447 -0.625 1.00 0.00 C ATOM 593 O LYS A 44 5.998 -7.283 -1.492 1.00 0.00 O ATOM 594 CB LYS A 44 7.845 -7.695 0.774 1.00 0.00 C ATOM 595 CG LYS A 44 8.770 -8.475 -0.163 1.00 0.00 C ATOM 596 CD LYS A 44 10.210 -8.375 0.342 1.00 0.00 C ATOM 597 CE LYS A 44 10.683 -9.753 0.808 1.00 0.00 C ATOM 598 NZ LYS A 44 11.088 -9.560 2.228 1.00 0.00 N ATOM 0 H LYS A 44 7.834 -4.492 1.134 1.00 0.00 H new ATOM 0 HA LYS A 44 8.244 -6.032 -0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.334 -7.536 1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.939 -8.269 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.461 -9.519 -0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.700 -8.077 -1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.860 -8.004 -0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.270 -7.661 1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.888 -10.494 0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.518 -10.109 0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.425 -10.463 2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.851 -8.855 2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.272 -9.227 2.780 1.00 0.00 H new ATOM 612 N LEU A 45 5.225 -5.595 -0.317 1.00 0.00 N ATOM 613 CA LEU A 45 3.916 -5.635 -1.033 1.00 0.00 C ATOM 614 C LEU A 45 4.015 -4.842 -2.336 1.00 0.00 C ATOM 615 O LEU A 45 4.838 -3.957 -2.463 1.00 0.00 O ATOM 616 CB LEU A 45 2.921 -4.974 -0.081 1.00 0.00 C ATOM 617 CG LEU A 45 2.356 -6.020 0.879 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.423 -5.338 1.882 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.571 -7.074 0.088 1.00 0.00 C ATOM 0 H LEU A 45 5.306 -4.873 0.399 1.00 0.00 H new ATOM 0 HA LEU A 45 3.615 -6.650 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.412 -4.179 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.113 -4.512 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 45 3.175 -6.503 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.019 -6.083 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.980 -4.590 2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.605 -4.855 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.169 -7.819 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.752 -6.593 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.234 -7.560 -0.628 1.00 0.00 H new ATOM 631 N PRO A 46 3.170 -5.185 -3.267 1.00 0.00 N ATOM 632 CA PRO A 46 3.165 -4.493 -4.571 1.00 0.00 C ATOM 633 C PRO A 46 2.542 -3.096 -4.443 1.00 0.00 C ATOM 634 O PRO A 46 1.870 -2.785 -3.479 1.00 0.00 O ATOM 635 CB PRO A 46 2.326 -5.406 -5.459 1.00 0.00 C ATOM 636 CG PRO A 46 1.450 -6.176 -4.528 1.00 0.00 C ATOM 637 CD PRO A 46 2.151 -6.237 -3.193 1.00 0.00 C ATOM 0 HA PRO A 46 4.164 -4.328 -4.974 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.733 -4.827 -6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.959 -6.073 -6.044 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.478 -5.693 -4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.270 -7.180 -4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.457 -6.061 -2.371 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.601 -7.215 -3.025 1.00 0.00 H new ATOM 645 N VAL A 47 2.779 -2.255 -5.409 1.00 0.00 N ATOM 646 CA VAL A 47 2.231 -0.867 -5.371 1.00 0.00 C ATOM 647 C VAL A 47 0.702 -0.886 -5.380 1.00 0.00 C ATOM 648 O VAL A 47 0.061 0.121 -5.151 1.00 0.00 O ATOM 649 CB VAL A 47 2.758 -0.205 -6.645 1.00 0.00 C ATOM 650 CG1 VAL A 47 2.045 1.132 -6.859 1.00 0.00 C ATOM 651 CG2 VAL A 47 4.263 0.036 -6.511 1.00 0.00 C ATOM 0 H VAL A 47 3.336 -2.471 -6.235 1.00 0.00 H new ATOM 0 HA VAL A 47 2.532 -0.335 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 47 2.569 -0.858 -7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.421 1.604 -7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.973 0.961 -6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.233 1.785 -6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.638 0.508 -7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.453 0.688 -5.658 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.772 -0.916 -6.360 1.00 0.00 H new ATOM 661 N ASP A 48 0.106 -2.017 -5.628 1.00 0.00 N ATOM 662 CA ASP A 48 -1.377 -2.075 -5.629 1.00 0.00 C ATOM 663 C ASP A 48 -1.857 -2.044 -4.191 1.00 0.00 C ATOM 664 O ASP A 48 -2.807 -1.367 -3.850 1.00 0.00 O ATOM 665 CB ASP A 48 -1.734 -3.397 -6.283 1.00 0.00 C ATOM 666 CG ASP A 48 -2.106 -3.165 -7.748 1.00 0.00 C ATOM 667 OD1 ASP A 48 -2.758 -2.172 -8.023 1.00 0.00 O ATOM 668 OD2 ASP A 48 -1.734 -3.986 -8.572 1.00 0.00 O ATOM 0 H ASP A 48 0.580 -2.898 -5.829 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.836 -1.242 -6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.892 -4.086 -6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.567 -3.861 -5.756 1.00 0.00 H new ATOM 673 N ILE A 49 -1.178 -2.753 -3.338 1.00 0.00 N ATOM 674 CA ILE A 49 -1.567 -2.741 -1.910 1.00 0.00 C ATOM 675 C ILE A 49 -1.367 -1.328 -1.387 1.00 0.00 C ATOM 676 O ILE A 49 -2.203 -0.766 -0.706 1.00 0.00 O ATOM 677 CB ILE A 49 -0.612 -3.699 -1.205 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.575 -5.042 -1.936 1.00 0.00 C ATOM 679 CG2 ILE A 49 -1.086 -3.917 0.230 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.997 -5.570 -2.129 1.00 0.00 C ATOM 0 H ILE A 49 -0.374 -3.337 -3.569 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.603 -3.039 -1.749 1.00 0.00 H new ATOM 0 HB ILE A 49 0.389 -3.268 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.087 -4.926 -2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.014 -5.760 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.406 -4.601 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.101 -2.963 0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.089 -4.343 0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.962 -6.527 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.471 -5.704 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.573 -4.857 -2.718 1.00 0.00 H new ATOM 692 N LEU A 50 -0.252 -0.750 -1.729 1.00 0.00 N ATOM 693 CA LEU A 50 0.045 0.636 -1.292 1.00 0.00 C ATOM 694 C LEU A 50 -1.026 1.581 -1.832 1.00 0.00 C ATOM 695 O LEU A 50 -1.202 2.680 -1.345 1.00 0.00 O ATOM 696 CB LEU A 50 1.416 0.952 -1.903 1.00 0.00 C ATOM 697 CG LEU A 50 2.390 -0.208 -1.644 1.00 0.00 C ATOM 698 CD1 LEU A 50 3.827 0.313 -1.704 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.133 -0.818 -0.262 1.00 0.00 C ATOM 0 H LEU A 50 0.473 -1.185 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 50 0.053 0.749 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.315 1.120 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.811 1.872 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 50 2.239 -0.973 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.520 -0.508 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.020 0.737 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.967 1.082 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.830 -1.639 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.275 -0.056 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.111 -1.194 -0.215 1.00 0.00 H new ATOM 711 N GLY A 51 -1.760 1.156 -2.827 1.00 0.00 N ATOM 712 CA GLY A 51 -2.830 2.029 -3.377 1.00 0.00 C ATOM 713 C GLY A 51 -4.087 1.848 -2.532 1.00 0.00 C ATOM 714 O GLY A 51 -4.869 2.762 -2.349 1.00 0.00 O ATOM 0 H GLY A 51 -1.663 0.246 -3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.512 3.071 -3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.032 1.771 -4.416 1.00 0.00 H new ATOM 718 N ARG A 52 -4.278 0.671 -2.002 1.00 0.00 N ATOM 719 CA ARG A 52 -5.474 0.416 -1.159 1.00 0.00 C ATOM 720 C ARG A 52 -5.123 0.613 0.309 1.00 0.00 C ATOM 721 O ARG A 52 -5.749 1.381 1.011 1.00 0.00 O ATOM 722 CB ARG A 52 -5.842 -1.041 -1.425 1.00 0.00 C ATOM 723 CG ARG A 52 -6.965 -1.110 -2.462 1.00 0.00 C ATOM 724 CD ARG A 52 -7.404 -2.565 -2.639 1.00 0.00 C ATOM 725 NE ARG A 52 -6.614 -3.067 -3.797 1.00 0.00 N ATOM 726 CZ ARG A 52 -6.930 -4.201 -4.359 1.00 0.00 C ATOM 727 NH1 ARG A 52 -7.616 -5.088 -3.694 1.00 0.00 N ATOM 728 NH2 ARG A 52 -6.560 -4.448 -5.586 1.00 0.00 N ATOM 0 H ARG A 52 -3.653 -0.127 -2.119 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.297 1.093 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.969 -1.587 -1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.159 -1.521 -0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.809 -0.500 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.622 -0.704 -3.413 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.204 -3.150 -1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.475 -2.634 -2.832 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.826 -2.524 -4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.905 -4.895 -2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.864 -5.975 -4.133 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.023 -3.754 -6.106 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.808 -5.335 -6.025 1.00 0.00 H new ATOM 742 N VAL A 53 -4.126 -0.076 0.777 1.00 0.00 N ATOM 743 CA VAL A 53 -3.735 0.075 2.199 1.00 0.00 C ATOM 744 C VAL A 53 -3.711 1.555 2.570 1.00 0.00 C ATOM 745 O VAL A 53 -4.119 1.938 3.646 1.00 0.00 O ATOM 746 CB VAL A 53 -2.342 -0.543 2.295 1.00 0.00 C ATOM 747 CG1 VAL A 53 -1.648 -0.068 3.573 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.478 -2.066 2.325 1.00 0.00 C ATOM 0 H VAL A 53 -3.566 -0.736 0.237 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.431 -0.410 2.883 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.747 -0.238 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.655 -0.513 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.559 1.018 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.235 -0.370 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.489 -2.518 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.073 -2.361 3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.970 -2.405 1.413 1.00 0.00 H new ATOM 758 N TRP A 54 -3.244 2.398 1.690 1.00 0.00 N ATOM 759 CA TRP A 54 -3.213 3.848 2.019 1.00 0.00 C ATOM 760 C TRP A 54 -4.619 4.437 1.952 1.00 0.00 C ATOM 761 O TRP A 54 -5.125 4.969 2.920 1.00 0.00 O ATOM 762 CB TRP A 54 -2.322 4.506 0.972 1.00 0.00 C ATOM 763 CG TRP A 54 -2.436 5.984 1.140 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.470 6.736 0.702 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.519 6.895 1.808 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.248 8.052 1.057 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.054 8.203 1.738 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.285 6.716 2.457 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.391 9.294 2.295 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.386 7.813 3.019 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.166 9.100 2.938 1.00 0.00 C ATOM 0 H TRP A 54 -2.887 2.148 0.768 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.834 4.015 3.027 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.287 4.186 1.095 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.629 4.211 -0.031 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.330 6.368 0.162 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.886 8.818 0.843 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.149 5.729 2.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.821 10.283 2.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.333 7.665 3.517 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.356 9.940 3.372 1.00 0.00 H new ATOM 782 N GLU A 55 -5.255 4.351 0.819 1.00 0.00 N ATOM 783 CA GLU A 55 -6.630 4.916 0.710 1.00 0.00 C ATOM 784 C GLU A 55 -7.484 4.374 1.852 1.00 0.00 C ATOM 785 O GLU A 55 -8.391 5.023 2.333 1.00 0.00 O ATOM 786 CB GLU A 55 -7.165 4.436 -0.641 1.00 0.00 C ATOM 787 CG GLU A 55 -6.279 4.972 -1.767 1.00 0.00 C ATOM 788 CD GLU A 55 -6.603 6.446 -2.019 1.00 0.00 C ATOM 789 OE1 GLU A 55 -7.709 6.850 -1.703 1.00 0.00 O ATOM 790 OE2 GLU A 55 -5.739 7.145 -2.522 1.00 0.00 O ATOM 0 H GLU A 55 -4.889 3.919 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.644 6.004 0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.185 3.347 -0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.191 4.777 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.228 4.861 -1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.440 4.393 -2.677 1.00 0.00 H new ATOM 797 N LEU A 56 -7.185 3.187 2.296 1.00 0.00 N ATOM 798 CA LEU A 56 -7.955 2.585 3.414 1.00 0.00 C ATOM 799 C LEU A 56 -7.296 2.955 4.746 1.00 0.00 C ATOM 800 O LEU A 56 -7.881 2.822 5.803 1.00 0.00 O ATOM 801 CB LEU A 56 -7.883 1.083 3.147 1.00 0.00 C ATOM 802 CG LEU A 56 -8.401 0.812 1.734 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.121 -0.640 1.349 1.00 0.00 C ATOM 804 CD2 LEU A 56 -9.910 1.076 1.690 1.00 0.00 C ATOM 0 H LEU A 56 -6.433 2.604 1.928 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.986 2.933 3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.857 0.730 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.480 0.540 3.879 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.894 1.470 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.492 -0.827 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.047 -0.824 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.624 -1.306 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.284 0.884 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.415 0.418 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.106 2.114 1.958 1.00 0.00 H new ATOM 816 N SER A 57 -6.083 3.434 4.694 1.00 0.00 N ATOM 817 CA SER A 57 -5.374 3.837 5.942 1.00 0.00 C ATOM 818 C SER A 57 -5.475 5.349 6.124 1.00 0.00 C ATOM 819 O SER A 57 -5.448 5.856 7.228 1.00 0.00 O ATOM 820 CB SER A 57 -3.921 3.426 5.728 1.00 0.00 C ATOM 821 OG SER A 57 -3.802 2.026 5.929 1.00 0.00 O ATOM 0 H SER A 57 -5.549 3.564 3.835 1.00 0.00 H new ATOM 0 HA SER A 57 -5.799 3.370 6.830 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.600 3.690 4.721 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.272 3.962 6.421 1.00 0.00 H new ATOM 0 HG SER A 57 -3.799 1.570 5.062 1.00 0.00 H new ATOM 827 N ASP A 58 -5.599 6.076 5.047 1.00 0.00 N ATOM 828 CA ASP A 58 -5.709 7.554 5.162 1.00 0.00 C ATOM 829 C ASP A 58 -7.149 7.935 5.494 1.00 0.00 C ATOM 830 O ASP A 58 -7.851 8.505 4.683 1.00 0.00 O ATOM 831 CB ASP A 58 -5.307 8.096 3.790 1.00 0.00 C ATOM 832 CG ASP A 58 -4.805 9.532 3.936 1.00 0.00 C ATOM 833 OD1 ASP A 58 -5.172 10.172 4.909 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.060 9.970 3.074 1.00 0.00 O ATOM 0 H ASP A 58 -5.629 5.709 4.096 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.077 7.961 5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.529 7.470 3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.159 8.065 3.111 1.00 0.00 H new ATOM 839 N ILE A 59 -7.592 7.618 6.681 1.00 0.00 N ATOM 840 CA ILE A 59 -8.989 7.957 7.072 1.00 0.00 C ATOM 841 C ILE A 59 -9.350 9.349 6.555 1.00 0.00 C ATOM 842 O ILE A 59 -10.491 9.639 6.256 1.00 0.00 O ATOM 843 CB ILE A 59 -8.988 7.951 8.599 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.692 6.540 9.117 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.356 8.405 9.100 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.743 5.558 8.592 1.00 0.00 C ATOM 0 H ILE A 59 -7.046 7.139 7.397 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.714 7.255 6.660 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.217 8.630 8.964 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.698 6.227 8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.692 6.537 10.207 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.363 8.403 10.190 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.560 9.412 8.737 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -11.123 7.724 8.731 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.525 4.557 8.965 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.731 5.865 8.934 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.722 5.551 7.502 1.00 0.00 H new ATOM 858 N ASP A 60 -8.378 10.209 6.452 1.00 0.00 N ATOM 859 CA ASP A 60 -8.647 11.588 5.960 1.00 0.00 C ATOM 860 C ASP A 60 -8.351 11.676 4.454 1.00 0.00 C ATOM 861 O ASP A 60 -8.951 12.454 3.740 1.00 0.00 O ATOM 862 CB ASP A 60 -7.705 12.467 6.789 1.00 0.00 C ATOM 863 CG ASP A 60 -7.264 13.694 5.991 1.00 0.00 C ATOM 864 OD1 ASP A 60 -8.032 14.142 5.156 1.00 0.00 O ATOM 865 OD2 ASP A 60 -6.165 14.161 6.231 1.00 0.00 O ATOM 0 H ASP A 60 -7.405 10.016 6.688 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.686 11.898 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.207 12.784 7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.831 11.889 7.089 1.00 0.00 H new ATOM 870 N HIS A 61 -7.443 10.875 3.967 1.00 0.00 N ATOM 871 CA HIS A 61 -7.122 10.901 2.508 1.00 0.00 C ATOM 872 C HIS A 61 -6.583 12.275 2.098 1.00 0.00 C ATOM 873 O HIS A 61 -6.995 12.841 1.105 1.00 0.00 O ATOM 874 CB HIS A 61 -8.451 10.619 1.797 1.00 0.00 C ATOM 875 CG HIS A 61 -9.187 9.514 2.507 1.00 0.00 C ATOM 876 ND1 HIS A 61 -8.990 8.177 2.199 1.00 0.00 N ATOM 877 CD2 HIS A 61 -10.128 9.534 3.506 1.00 0.00 C ATOM 878 CE1 HIS A 61 -9.795 7.454 3.000 1.00 0.00 C ATOM 879 NE2 HIS A 61 -10.510 8.233 3.816 1.00 0.00 N ATOM 0 H HIS A 61 -6.908 10.202 4.516 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.355 10.170 2.250 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.062 11.521 1.778 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.266 10.337 0.760 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.513 10.425 3.980 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -9.855 6.376 2.985 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -11.190 7.937 4.516 1.00 0.00 H new ATOM 887 N ASP A 62 -5.668 12.815 2.852 1.00 0.00 N ATOM 888 CA ASP A 62 -5.110 14.150 2.496 1.00 0.00 C ATOM 889 C ASP A 62 -3.639 14.019 2.090 1.00 0.00 C ATOM 890 O ASP A 62 -2.905 14.986 2.057 1.00 0.00 O ATOM 891 CB ASP A 62 -5.256 14.987 3.769 1.00 0.00 C ATOM 892 CG ASP A 62 -4.137 14.640 4.755 1.00 0.00 C ATOM 893 OD1 ASP A 62 -4.057 13.488 5.150 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.381 15.532 5.101 1.00 0.00 O ATOM 0 H ASP A 62 -5.283 12.392 3.697 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.625 14.606 1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.219 16.048 3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.227 14.800 4.228 1.00 0.00 H new ATOM 899 N GLY A 63 -3.202 12.829 1.785 1.00 0.00 N ATOM 900 CA GLY A 63 -1.781 12.638 1.387 1.00 0.00 C ATOM 901 C GLY A 63 -0.931 12.390 2.635 1.00 0.00 C ATOM 902 O GLY A 63 0.279 12.298 2.565 1.00 0.00 O ATOM 0 H GLY A 63 -3.768 11.981 1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.694 11.795 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.419 13.519 0.857 1.00 0.00 H new ATOM 906 N MET A 64 -1.553 12.284 3.777 1.00 0.00 N ATOM 907 CA MET A 64 -0.778 12.046 5.026 1.00 0.00 C ATOM 908 C MET A 64 -1.511 11.056 5.936 1.00 0.00 C ATOM 909 O MET A 64 -2.710 10.888 5.850 1.00 0.00 O ATOM 910 CB MET A 64 -0.683 13.418 5.688 1.00 0.00 C ATOM 911 CG MET A 64 0.681 14.019 5.379 1.00 0.00 C ATOM 912 SD MET A 64 0.782 15.708 6.012 1.00 0.00 S ATOM 913 CE MET A 64 2.587 15.774 6.108 1.00 0.00 C ATOM 0 H MET A 64 -2.563 12.352 3.899 1.00 0.00 H new ATOM 0 HA MET A 64 0.203 11.614 4.828 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.475 14.070 5.320 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.820 13.327 6.766 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.465 13.408 5.827 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.851 14.016 4.302 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.891 16.682 6.630 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.955 14.903 6.651 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.005 15.777 5.101 1.00 0.00 H new ATOM 923 N LEU A 65 -0.794 10.403 6.810 1.00 0.00 N ATOM 924 CA LEU A 65 -1.442 9.425 7.734 1.00 0.00 C ATOM 925 C LEU A 65 -1.243 9.871 9.186 1.00 0.00 C ATOM 926 O LEU A 65 -0.139 9.884 9.690 1.00 0.00 O ATOM 927 CB LEU A 65 -0.711 8.102 7.498 1.00 0.00 C ATOM 928 CG LEU A 65 -1.109 7.511 6.147 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.155 6.364 5.801 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.541 6.976 6.225 1.00 0.00 C ATOM 0 H LEU A 65 0.214 10.504 6.925 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.514 9.341 7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.367 8.263 7.529 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.951 7.399 8.295 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.053 8.282 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.433 5.937 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.866 6.743 5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.217 5.594 6.570 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.825 6.554 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.599 6.202 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.220 7.790 6.479 1.00 0.00 H new ATOM 942 N ASP A 66 -2.296 10.228 9.868 1.00 0.00 N ATOM 943 CA ASP A 66 -2.139 10.659 11.287 1.00 0.00 C ATOM 944 C ASP A 66 -1.847 9.440 12.165 1.00 0.00 C ATOM 945 O ASP A 66 -2.183 8.325 11.819 1.00 0.00 O ATOM 946 CB ASP A 66 -3.479 11.292 11.680 1.00 0.00 C ATOM 947 CG ASP A 66 -4.018 12.143 10.525 1.00 0.00 C ATOM 948 OD1 ASP A 66 -3.263 12.413 9.606 1.00 0.00 O ATOM 949 OD2 ASP A 66 -5.178 12.515 10.584 1.00 0.00 O ATOM 0 H ASP A 66 -3.251 10.240 9.509 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.315 11.362 11.414 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.198 10.513 11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.351 11.910 12.569 1.00 0.00 H new ATOM 954 N ARG A 67 -1.220 9.651 13.293 1.00 0.00 N ATOM 955 CA ARG A 67 -0.891 8.514 14.211 1.00 0.00 C ATOM 956 C ARG A 67 -1.970 7.430 14.165 1.00 0.00 C ATOM 957 O ARG A 67 -1.679 6.252 14.113 1.00 0.00 O ATOM 958 CB ARG A 67 -0.822 9.125 15.614 1.00 0.00 C ATOM 959 CG ARG A 67 -1.874 10.230 15.774 1.00 0.00 C ATOM 960 CD ARG A 67 -2.707 9.963 17.030 1.00 0.00 C ATOM 961 NE ARG A 67 -2.387 11.086 17.955 1.00 0.00 N ATOM 962 CZ ARG A 67 -3.347 11.818 18.451 1.00 0.00 C ATOM 963 NH1 ARG A 67 -4.155 11.317 19.346 1.00 0.00 N ATOM 964 NH2 ARG A 67 -3.501 13.051 18.053 1.00 0.00 N ATOM 0 H ARG A 67 -0.919 10.568 13.622 1.00 0.00 H new ATOM 0 HA ARG A 67 0.045 8.036 13.921 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.984 8.350 16.363 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.173 9.534 15.790 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.387 11.203 15.847 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.520 10.262 14.896 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.772 9.935 16.798 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.452 9.001 17.475 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.417 11.283 18.201 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.036 10.353 19.658 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.905 11.889 19.733 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.871 13.444 17.354 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.252 13.622 18.441 1.00 0.00 H new ATOM 978 N ASP A 68 -3.209 7.820 14.187 1.00 0.00 N ATOM 979 CA ASP A 68 -4.310 6.813 14.144 1.00 0.00 C ATOM 980 C ASP A 68 -4.446 6.251 12.729 1.00 0.00 C ATOM 981 O ASP A 68 -4.566 5.059 12.527 1.00 0.00 O ATOM 982 CB ASP A 68 -5.568 7.587 14.533 1.00 0.00 C ATOM 983 CG ASP A 68 -5.675 8.854 13.681 1.00 0.00 C ATOM 984 OD1 ASP A 68 -5.104 9.859 14.073 1.00 0.00 O ATOM 985 OD2 ASP A 68 -6.326 8.798 12.651 1.00 0.00 O ATOM 0 H ASP A 68 -3.512 8.793 14.233 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.129 5.969 14.810 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.450 6.964 14.388 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.533 7.849 15.590 1.00 0.00 H new ATOM 990 N GLU A 69 -4.422 7.108 11.752 1.00 0.00 N ATOM 991 CA GLU A 69 -4.542 6.641 10.340 1.00 0.00 C ATOM 992 C GLU A 69 -3.364 5.736 10.000 1.00 0.00 C ATOM 993 O GLU A 69 -3.523 4.678 9.423 1.00 0.00 O ATOM 994 CB GLU A 69 -4.489 7.911 9.494 1.00 0.00 C ATOM 995 CG GLU A 69 -5.572 8.876 9.963 1.00 0.00 C ATOM 996 CD GLU A 69 -5.897 9.860 8.835 1.00 0.00 C ATOM 997 OE1 GLU A 69 -5.808 9.461 7.685 1.00 0.00 O ATOM 998 OE2 GLU A 69 -6.224 10.995 9.140 1.00 0.00 O ATOM 0 H GLU A 69 -4.324 8.117 11.867 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.456 6.074 10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.508 8.378 9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.635 7.667 8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.468 8.324 10.249 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.235 9.417 10.847 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.182 6.145 10.360 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.993 5.311 10.065 1.00 0.00 C ATOM 1007 C PHE A 70 -1.138 3.953 10.746 1.00 0.00 C ATOM 1008 O PHE A 70 -0.557 2.970 10.327 1.00 0.00 O ATOM 1009 CB PHE A 70 0.189 6.079 10.648 1.00 0.00 C ATOM 1010 CG PHE A 70 1.465 5.399 10.226 1.00 0.00 C ATOM 1011 CD1 PHE A 70 2.002 4.374 11.013 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.101 5.784 9.042 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.181 3.734 10.617 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.278 5.143 8.644 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.817 4.119 9.430 1.00 0.00 C ATOM 0 H PHE A 70 -1.990 7.021 10.846 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.866 5.128 8.998 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.178 7.111 10.298 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.120 6.110 11.735 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.506 4.077 11.926 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.684 6.575 8.436 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.600 2.945 11.225 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.771 5.438 7.730 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.726 3.624 9.121 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.917 3.887 11.790 1.00 0.00 N ATOM 1026 CA ALA A 71 -2.104 2.586 12.491 1.00 0.00 C ATOM 1027 C ALA A 71 -2.876 1.627 11.590 1.00 0.00 C ATOM 1028 O ALA A 71 -2.519 0.472 11.432 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.918 2.919 13.743 1.00 0.00 C ATOM 0 H ALA A 71 -2.430 4.674 12.187 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.158 2.107 12.743 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.097 2.008 14.314 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.366 3.630 14.358 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.872 3.357 13.451 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.930 2.102 10.991 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.732 1.229 10.091 1.00 0.00 C ATOM 1037 C VAL A 72 -3.871 0.759 8.915 1.00 0.00 C ATOM 1038 O VAL A 72 -4.138 -0.255 8.302 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.879 2.111 9.596 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.786 1.296 8.672 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.692 2.614 10.793 1.00 0.00 C ATOM 0 H VAL A 72 -4.272 3.058 11.086 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.098 0.336 10.599 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.472 2.962 9.050 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.604 1.924 8.319 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.209 0.938 7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.192 0.445 9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.509 3.243 10.439 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.099 1.763 11.340 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.047 3.195 11.453 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.842 1.495 8.593 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.966 1.096 7.453 1.00 0.00 C ATOM 1053 C ALA A 73 -0.812 0.214 7.936 1.00 0.00 C ATOM 1054 O ALA A 73 -0.004 -0.247 7.154 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.443 2.414 6.883 1.00 0.00 C ATOM 0 H ALA A 73 -2.570 2.355 9.069 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.504 0.511 6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.787 2.210 6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.282 3.026 6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.886 2.948 7.653 1.00 0.00 H new ATOM 1061 N MET A 74 -0.732 -0.037 9.212 1.00 0.00 N ATOM 1062 CA MET A 74 0.367 -0.904 9.729 1.00 0.00 C ATOM 1063 C MET A 74 -0.082 -2.359 9.708 1.00 0.00 C ATOM 1064 O MET A 74 0.629 -3.231 9.250 1.00 0.00 O ATOM 1065 CB MET A 74 0.612 -0.437 11.164 1.00 0.00 C ATOM 1066 CG MET A 74 1.422 0.861 11.156 1.00 0.00 C ATOM 1067 SD MET A 74 3.187 0.466 11.112 1.00 0.00 S ATOM 1068 CE MET A 74 3.409 0.646 9.327 1.00 0.00 C ATOM 0 H MET A 74 -1.376 0.318 9.919 1.00 0.00 H new ATOM 0 HA MET A 74 1.273 -0.832 9.127 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.339 -0.280 11.672 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.147 -1.207 11.720 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.152 1.466 10.291 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.192 1.452 12.043 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.721 -0.308 8.901 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.468 0.956 8.873 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.172 1.399 9.129 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.267 -2.628 10.172 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.758 -4.029 10.141 1.00 0.00 C ATOM 1080 C PHE A 75 -2.157 -4.348 8.699 1.00 0.00 C ATOM 1081 O PHE A 75 -2.051 -5.466 8.236 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.954 -4.067 11.101 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.221 -3.696 10.373 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -4.888 -4.656 9.606 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.722 -2.395 10.462 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -6.060 -4.317 8.927 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -5.894 -2.054 9.784 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.564 -3.016 9.014 1.00 0.00 C ATOM 0 H PHE A 75 -1.912 -1.944 10.568 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.019 -4.769 10.449 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.052 -5.064 11.531 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.787 -3.378 11.929 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.496 -5.660 9.539 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.204 -1.655 11.054 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.576 -5.059 8.336 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.285 -1.049 9.852 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.470 -2.752 8.488 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.584 -3.342 7.981 1.00 0.00 N ATOM 1099 CA LEU A 76 -2.957 -3.536 6.556 1.00 0.00 C ATOM 1100 C LEU A 76 -1.711 -3.956 5.783 1.00 0.00 C ATOM 1101 O LEU A 76 -1.774 -4.688 4.815 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.445 -2.163 6.089 1.00 0.00 C ATOM 1103 CG LEU A 76 -4.973 -2.118 6.131 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.447 -0.677 5.932 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -5.537 -2.998 5.013 1.00 0.00 C ATOM 0 H LEU A 76 -2.690 -2.388 8.327 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.719 -4.301 6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.031 -1.383 6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.093 -1.966 5.076 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.322 -2.485 7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.536 -0.645 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.043 -0.048 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.100 -0.310 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.626 -2.968 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.188 -2.629 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.199 -4.025 5.153 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.574 -3.492 6.223 1.00 0.00 N ATOM 1118 CA VAL A 77 0.699 -3.850 5.547 1.00 0.00 C ATOM 1119 C VAL A 77 1.288 -5.110 6.179 1.00 0.00 C ATOM 1120 O VAL A 77 2.041 -5.831 5.556 1.00 0.00 O ATOM 1121 CB VAL A 77 1.606 -2.639 5.770 1.00 0.00 C ATOM 1122 CG1 VAL A 77 3.015 -2.949 5.260 1.00 0.00 C ATOM 1123 CG2 VAL A 77 1.038 -1.444 5.003 1.00 0.00 C ATOM 0 H VAL A 77 -0.474 -2.875 7.029 1.00 0.00 H new ATOM 0 HA VAL A 77 0.572 -4.068 4.486 1.00 0.00 H new ATOM 0 HB VAL A 77 1.653 -2.408 6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.659 -2.084 5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.417 -3.806 5.801 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.974 -3.178 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.679 -0.576 5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.996 -1.681 3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.034 -1.223 5.365 1.00 0.00 H new ATOM 1133 N TYR A 78 0.940 -5.389 7.405 1.00 0.00 N ATOM 1134 CA TYR A 78 1.467 -6.614 8.068 1.00 0.00 C ATOM 1135 C TYR A 78 0.518 -7.780 7.802 1.00 0.00 C ATOM 1136 O TYR A 78 0.915 -8.929 7.788 1.00 0.00 O ATOM 1137 CB TYR A 78 1.511 -6.281 9.557 1.00 0.00 C ATOM 1138 CG TYR A 78 2.939 -6.016 9.960 1.00 0.00 C ATOM 1139 CD1 TYR A 78 3.921 -6.988 9.736 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.279 -4.796 10.550 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.248 -6.736 10.106 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.603 -4.543 10.920 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.589 -5.513 10.698 1.00 0.00 C ATOM 1144 OH TYR A 78 6.897 -5.265 11.064 1.00 0.00 O ATOM 0 H TYR A 78 0.314 -4.821 7.976 1.00 0.00 H new ATOM 0 HA TYR A 78 2.451 -6.902 7.698 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.893 -5.408 9.766 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.103 -7.107 10.139 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.656 -7.930 9.279 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.519 -4.048 10.720 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.008 -7.484 9.935 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.866 -3.600 11.377 1.00 0.00 H new ATOM 0 HH TYR A 78 6.962 -4.371 11.459 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.732 -7.490 7.575 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.706 -8.575 7.289 1.00 0.00 C ATOM 1156 C CYS A 79 -1.651 -8.921 5.801 1.00 0.00 C ATOM 1157 O CYS A 79 -2.171 -9.930 5.367 1.00 0.00 O ATOM 1158 CB CYS A 79 -3.071 -7.997 7.663 1.00 0.00 C ATOM 1159 SG CYS A 79 -3.250 -7.991 9.464 1.00 0.00 S ATOM 0 H CYS A 79 -1.120 -6.547 7.576 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.497 -9.489 7.845 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.168 -6.983 7.274 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.866 -8.590 7.210 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.874 -6.839 9.934 1.00 0.00 H new ATOM 1165 N ALA A 80 -1.001 -8.098 5.020 1.00 0.00 N ATOM 1166 CA ALA A 80 -0.886 -8.386 3.565 1.00 0.00 C ATOM 1167 C ALA A 80 0.362 -9.233 3.321 1.00 0.00 C ATOM 1168 O ALA A 80 0.590 -9.735 2.238 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.754 -7.018 2.897 1.00 0.00 C ATOM 0 H ALA A 80 -0.546 -7.239 5.330 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.739 -8.938 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.664 -7.147 1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.637 -6.418 3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.133 -6.512 3.277 1.00 0.00 H new ATOM 1175 N LEU A 81 1.170 -9.394 4.333 1.00 0.00 N ATOM 1176 CA LEU A 81 2.408 -10.206 4.190 1.00 0.00 C ATOM 1177 C LEU A 81 2.108 -11.652 4.557 1.00 0.00 C ATOM 1178 O LEU A 81 2.499 -12.577 3.873 1.00 0.00 O ATOM 1179 CB LEU A 81 3.406 -9.605 5.187 1.00 0.00 C ATOM 1180 CG LEU A 81 3.261 -8.079 5.244 1.00 0.00 C ATOM 1181 CD1 LEU A 81 4.559 -7.467 5.769 1.00 0.00 C ATOM 1182 CD2 LEU A 81 2.968 -7.526 3.845 1.00 0.00 C ATOM 0 H LEU A 81 1.023 -8.994 5.260 1.00 0.00 H new ATOM 0 HA LEU A 81 2.798 -10.193 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.239 -10.029 6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.423 -9.868 4.895 1.00 0.00 H new ATOM 0 HG LEU A 81 2.436 -7.823 5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.459 -6.382 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.764 -7.851 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.381 -7.730 5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.867 -6.442 3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.787 -7.783 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.041 -7.960 3.469 1.00 0.00 H new ATOM 1194 N GLU A 82 1.412 -11.847 5.636 1.00 0.00 N ATOM 1195 CA GLU A 82 1.077 -13.230 6.055 1.00 0.00 C ATOM 1196 C GLU A 82 0.074 -13.834 5.079 1.00 0.00 C ATOM 1197 O GLU A 82 0.290 -14.898 4.535 1.00 0.00 O ATOM 1198 CB GLU A 82 0.460 -13.092 7.449 1.00 0.00 C ATOM 1199 CG GLU A 82 1.573 -12.968 8.491 1.00 0.00 C ATOM 1200 CD GLU A 82 2.239 -14.329 8.693 1.00 0.00 C ATOM 1201 OE1 GLU A 82 1.549 -15.328 8.569 1.00 0.00 O ATOM 1202 OE2 GLU A 82 3.427 -14.350 8.970 1.00 0.00 O ATOM 0 H GLU A 82 1.061 -11.109 6.246 1.00 0.00 H new ATOM 0 HA GLU A 82 1.949 -13.884 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.187 -12.215 7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.164 -13.958 7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.311 -12.235 8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.163 -12.609 9.435 1.00 0.00 H new ATOM 1260 N VAL A 86 -6.026 -6.843 1.128 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.657 -5.549 1.507 1.00 0.00 C ATOM 1262 C VAL A 86 -7.960 -5.378 0.727 1.00 0.00 C ATOM 1263 O VAL A 86 -8.087 -5.869 -0.377 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.645 -4.473 1.108 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -6.193 -3.094 1.479 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.329 -4.711 1.849 1.00 0.00 C ATOM 0 HA VAL A 86 -6.898 -5.493 2.569 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.472 -4.519 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.472 -2.327 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.132 -2.922 0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.366 -3.048 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.608 -3.945 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.503 -4.665 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.936 -5.694 1.587 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.894 -4.695 1.326 1.00 0.00 N ATOM 1277 CA PRO A 87 -10.192 -4.474 0.674 1.00 0.00 C ATOM 1278 C PRO A 87 -10.112 -3.268 -0.258 1.00 0.00 C ATOM 1279 O PRO A 87 -9.041 -2.825 -0.624 1.00 0.00 O ATOM 1280 CB PRO A 87 -11.135 -4.213 1.842 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.268 -3.703 2.956 1.00 0.00 C ATOM 1282 CD PRO A 87 -8.835 -4.068 2.647 1.00 0.00 C ATOM 0 HA PRO A 87 -10.519 -5.310 0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.898 -3.482 1.574 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.656 -5.124 2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.372 -2.622 3.054 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.575 -4.140 3.906 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.194 -3.187 2.640 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.430 -4.751 3.393 1.00 0.00 H new ATOM 1290 N MET A 88 -11.231 -2.741 -0.651 1.00 0.00 N ATOM 1291 CA MET A 88 -11.211 -1.569 -1.571 1.00 0.00 C ATOM 1292 C MET A 88 -11.946 -0.376 -0.959 1.00 0.00 C ATOM 1293 O MET A 88 -12.195 0.608 -1.627 1.00 0.00 O ATOM 1294 CB MET A 88 -11.940 -2.047 -2.823 1.00 0.00 C ATOM 1295 CG MET A 88 -11.774 -1.011 -3.937 1.00 0.00 C ATOM 1296 SD MET A 88 -12.107 -1.787 -5.538 1.00 0.00 S ATOM 1297 CE MET A 88 -10.616 -1.211 -6.386 1.00 0.00 C ATOM 0 H MET A 88 -12.158 -3.067 -0.378 1.00 0.00 H new ATOM 0 HA MET A 88 -10.194 -1.235 -1.777 1.00 0.00 H new ATOM 0 HB2 MET A 88 -11.541 -3.009 -3.144 1.00 0.00 H new ATOM 0 HB3 MET A 88 -12.998 -2.197 -2.606 1.00 0.00 H new ATOM 0 HG2 MET A 88 -12.456 -0.176 -3.777 1.00 0.00 H new ATOM 0 HG3 MET A 88 -10.763 -0.604 -3.922 1.00 0.00 H new ATOM 0 HE1 MET A 88 -10.615 -1.581 -7.411 1.00 0.00 H new ATOM 0 HE2 MET A 88 -10.600 -0.121 -6.393 1.00 0.00 H new ATOM 0 HE3 MET A 88 -9.734 -1.583 -5.865 1.00 0.00 H new ATOM 1307 N SER A 89 -12.302 -0.438 0.295 1.00 0.00 N ATOM 1308 CA SER A 89 -13.021 0.724 0.893 1.00 0.00 C ATOM 1309 C SER A 89 -13.052 0.637 2.409 1.00 0.00 C ATOM 1310 O SER A 89 -13.890 1.218 3.068 1.00 0.00 O ATOM 1311 CB SER A 89 -14.425 0.647 0.323 1.00 0.00 C ATOM 1312 OG SER A 89 -14.604 1.681 -0.636 1.00 0.00 O ATOM 0 H SER A 89 -12.131 -1.225 0.921 1.00 0.00 H new ATOM 0 HA SER A 89 -12.528 1.667 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.588 -0.326 -0.141 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.160 0.746 1.122 1.00 0.00 H new ATOM 0 HG SER A 89 -13.855 1.675 -1.268 1.00 0.00 H new ATOM 1318 N LEU A 90 -12.125 -0.064 2.954 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.049 -0.188 4.436 1.00 0.00 C ATOM 1320 C LEU A 90 -13.307 -0.864 4.992 1.00 0.00 C ATOM 1321 O LEU A 90 -14.406 -0.389 4.787 1.00 0.00 O ATOM 1322 CB LEU A 90 -11.960 1.254 4.940 1.00 0.00 C ATOM 1323 CG LEU A 90 -10.599 1.487 5.595 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -10.507 2.934 6.085 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -10.435 0.536 6.782 1.00 0.00 C ATOM 0 H LEU A 90 -11.401 -0.568 2.441 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.202 -0.797 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.099 1.948 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -12.758 1.449 5.657 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.810 1.300 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.536 3.099 6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.623 3.612 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.296 3.123 6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.464 0.702 7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.225 0.723 7.510 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.499 -0.495 6.434 1.00 0.00 H new ATOM 1337 N PRO A 91 -13.098 -1.941 5.696 1.00 0.00 N ATOM 1338 CA PRO A 91 -14.228 -2.680 6.311 1.00 0.00 C ATOM 1339 C PRO A 91 -14.856 -1.845 7.435 1.00 0.00 C ATOM 1340 O PRO A 91 -14.373 -0.778 7.758 1.00 0.00 O ATOM 1341 CB PRO A 91 -13.574 -3.953 6.846 1.00 0.00 C ATOM 1342 CG PRO A 91 -12.136 -3.592 7.036 1.00 0.00 C ATOM 1343 CD PRO A 91 -11.805 -2.569 5.983 1.00 0.00 C ATOM 0 HA PRO A 91 -15.039 -2.897 5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.030 -4.268 7.785 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.685 -4.780 6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -11.967 -3.189 8.034 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.500 -4.471 6.935 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.077 -1.842 6.344 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.378 -3.032 5.094 1.00 0.00 H new ATOM 1351 N PRO A 92 -15.932 -2.351 7.973 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.659 -1.633 9.051 1.00 0.00 C ATOM 1353 C PRO A 92 -15.927 -1.724 10.396 1.00 0.00 C ATOM 1354 O PRO A 92 -16.126 -0.905 11.270 1.00 0.00 O ATOM 1355 CB PRO A 92 -18.000 -2.359 9.117 1.00 0.00 C ATOM 1356 CG PRO A 92 -17.732 -3.732 8.583 1.00 0.00 C ATOM 1357 CD PRO A 92 -16.567 -3.628 7.630 1.00 0.00 C ATOM 0 HA PRO A 92 -16.751 -0.566 8.847 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.375 -2.401 10.140 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.755 -1.846 8.522 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.502 -4.421 9.395 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -18.612 -4.123 8.072 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.876 -4.462 7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -16.900 -3.641 6.592 1.00 0.00 H new ATOM 1365 N ALA A 93 -15.093 -2.708 10.578 1.00 0.00 N ATOM 1366 CA ALA A 93 -14.371 -2.830 11.880 1.00 0.00 C ATOM 1367 C ALA A 93 -13.041 -2.084 11.825 1.00 0.00 C ATOM 1368 O ALA A 93 -12.224 -2.197 12.717 1.00 0.00 O ATOM 1369 CB ALA A 93 -14.119 -4.326 12.057 1.00 0.00 C ATOM 0 H ALA A 93 -14.879 -3.429 9.889 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.946 -2.405 12.703 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.590 -4.497 12.995 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.071 -4.856 12.075 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.515 -4.694 11.227 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.797 -1.347 10.779 1.00 0.00 N ATOM 1376 CA LEU A 94 -11.496 -0.631 10.678 1.00 0.00 C ATOM 1377 C LEU A 94 -11.686 0.886 10.725 1.00 0.00 C ATOM 1378 O LEU A 94 -10.972 1.623 10.074 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.938 -1.037 9.317 1.00 0.00 C ATOM 1380 CG LEU A 94 -10.204 -2.365 9.451 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -8.912 -2.142 10.239 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -11.101 -3.365 10.187 1.00 0.00 C ATOM 0 H LEU A 94 -13.436 -1.210 9.996 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.835 -0.887 11.506 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.746 -1.127 8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.260 -0.269 8.945 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.962 -2.761 8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.380 -3.088 10.340 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.283 -1.426 9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.152 -1.753 11.229 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.580 -4.317 10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.341 -2.978 11.178 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -12.022 -3.512 9.622 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.633 1.369 11.476 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.832 2.845 11.529 1.00 0.00 C ATOM 1396 C VAL A 95 -12.792 3.343 12.977 1.00 0.00 C ATOM 1397 O VAL A 95 -13.479 2.823 13.833 1.00 0.00 O ATOM 1398 CB VAL A 95 -14.209 3.096 10.913 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -14.303 4.558 10.476 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -14.403 2.191 9.692 1.00 0.00 C ATOM 0 H VAL A 95 -13.271 0.816 12.049 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.047 3.376 10.992 1.00 0.00 H new ATOM 0 HB VAL A 95 -14.981 2.877 11.650 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -15.283 4.744 10.036 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -14.165 5.206 11.342 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -13.528 4.768 9.739 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -15.385 2.373 9.256 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.632 2.408 8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.330 1.147 9.997 1.00 0.00 H new