USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 14 SER OG : rot 180:sc= 0.473 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.619 X(o=1.1,f=0.69) USER MOD Single : A 1 ALA N :NH3+ 148:sc= 0.0216 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 57:sc= 1.28 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -170:sc= -0.55 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0154 USER MOD Single : A 17 THR OG1 : rot 92:sc= 1.34 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0108 K(o=-0.011,f=-1.1) USER MOD Single : A 30 THR OG1 : rot 84:sc= 0.853 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.95 USER MOD Single : A 36 GLN : amide:sc= -1.11! C(o=-1.1!,f=-4.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 48 ASN : amide:sc= -0.447 K(o=-0.45,f=-3.5!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 54 SER OG : rot -83:sc= 0.954 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 62 SER OG : rot 47:sc= 0.457 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 159:sc= 0.275 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -78:sc= 1.28 USER MOD Single : A 81 THR OG1 : rot 55:sc= 0.632 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 123:sc= 0.601 USER MOD Single : A 90 THR OG1 : rot -42:sc= 0.291 USER MOD Single : A 94 GLN : amide:sc= -0.633 K(o=-0.63,f=-1.7!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0559 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.770 5.229 15.634 1.00 0.00 N ATOM 2 CA ALA A 1 -17.137 3.853 15.234 1.00 0.00 C ATOM 3 C ALA A 1 -15.902 3.088 14.780 1.00 0.00 C ATOM 4 O ALA A 1 -14.993 3.661 14.180 1.00 0.00 O ATOM 5 CB ALA A 1 -18.179 3.879 14.127 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.558 5.874 15.422 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.569 5.252 16.654 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.925 5.530 15.108 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.565 3.345 16.098 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.437 2.858 13.846 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.072 4.394 14.480 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.776 4.403 13.260 1.00 0.00 H new ATOM 11 N ALA A 2 -15.877 1.796 15.059 1.00 0.00 N ATOM 12 CA ALA A 2 -14.748 0.961 14.688 1.00 0.00 C ATOM 13 C ALA A 2 -14.868 0.482 13.245 1.00 0.00 C ATOM 14 O ALA A 2 -15.882 -0.094 12.859 1.00 0.00 O ATOM 15 CB ALA A 2 -14.644 -0.224 15.635 1.00 0.00 C ATOM 0 H ALA A 2 -16.627 1.302 15.542 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.840 1.559 14.766 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.795 -0.845 15.349 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.504 0.136 16.654 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.559 -0.814 15.581 1.00 0.00 H new ATOM 21 N PRO A 3 -13.842 0.745 12.421 1.00 0.00 N ATOM 22 CA PRO A 3 -13.823 0.320 11.024 1.00 0.00 C ATOM 23 C PRO A 3 -13.365 -1.132 10.880 1.00 0.00 C ATOM 24 O PRO A 3 -12.697 -1.675 11.763 1.00 0.00 O ATOM 25 CB PRO A 3 -12.814 1.277 10.391 1.00 0.00 C ATOM 26 CG PRO A 3 -11.855 1.602 11.487 1.00 0.00 C ATOM 27 CD PRO A 3 -12.624 1.497 12.784 1.00 0.00 C ATOM 0 HA PRO A 3 -14.808 0.353 10.558 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.306 0.813 9.546 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.303 2.175 10.015 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.012 0.911 11.480 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.447 2.605 11.359 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.047 0.976 13.548 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.868 2.481 13.184 1.00 0.00 H new ATOM 35 N THR A 4 -13.730 -1.762 9.775 1.00 0.00 N ATOM 36 CA THR A 4 -13.354 -3.143 9.532 1.00 0.00 C ATOM 37 C THR A 4 -12.284 -3.224 8.450 1.00 0.00 C ATOM 38 O THR A 4 -12.556 -2.992 7.269 1.00 0.00 O ATOM 39 CB THR A 4 -14.570 -3.985 9.110 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.782 -3.292 9.440 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.552 -5.338 9.801 1.00 0.00 C ATOM 0 H THR A 4 -14.286 -1.338 9.033 1.00 0.00 H new ATOM 0 HA THR A 4 -12.957 -3.543 10.465 1.00 0.00 H new ATOM 0 HB THR A 4 -14.522 -4.142 8.032 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.553 -3.833 9.167 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.421 -5.918 9.489 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.642 -5.873 9.530 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.580 -5.195 10.881 1.00 0.00 H new ATOM 49 N ALA A 5 -11.064 -3.545 8.854 1.00 0.00 N ATOM 50 CA ALA A 5 -9.957 -3.652 7.919 1.00 0.00 C ATOM 51 C ALA A 5 -9.753 -5.096 7.483 1.00 0.00 C ATOM 52 O ALA A 5 -8.888 -5.804 8.003 1.00 0.00 O ATOM 53 CB ALA A 5 -8.684 -3.090 8.532 1.00 0.00 C ATOM 0 H ALA A 5 -10.817 -3.736 9.825 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.201 -3.064 7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.866 -3.179 7.817 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.834 -2.040 8.783 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.438 -3.648 9.436 1.00 0.00 H new ATOM 59 N THR A 6 -10.561 -5.534 6.535 1.00 0.00 N ATOM 60 CA THR A 6 -10.473 -6.887 6.015 1.00 0.00 C ATOM 61 C THR A 6 -9.424 -6.969 4.908 1.00 0.00 C ATOM 62 O THR A 6 -9.738 -6.810 3.727 1.00 0.00 O ATOM 63 CB THR A 6 -11.840 -7.350 5.472 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.618 -6.204 5.085 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.595 -8.150 6.521 1.00 0.00 C ATOM 0 H THR A 6 -11.292 -4.967 6.106 1.00 0.00 H new ATOM 0 HA THR A 6 -10.177 -7.544 6.833 1.00 0.00 H new ATOM 0 HB THR A 6 -11.671 -7.990 4.606 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.123 -5.682 4.419 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.556 -8.466 6.115 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.012 -9.028 6.798 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.759 -7.530 7.403 1.00 0.00 H new ATOM 73 N VAL A 7 -8.173 -7.184 5.293 1.00 0.00 N ATOM 74 CA VAL A 7 -7.090 -7.280 4.325 1.00 0.00 C ATOM 75 C VAL A 7 -6.528 -8.698 4.278 1.00 0.00 C ATOM 76 O VAL A 7 -6.610 -9.443 5.257 1.00 0.00 O ATOM 77 CB VAL A 7 -5.948 -6.283 4.636 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.465 -4.854 4.622 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.294 -6.603 5.972 1.00 0.00 C ATOM 0 H VAL A 7 -7.884 -7.295 6.265 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.512 -7.025 3.353 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.192 -6.383 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.647 -4.169 4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.875 -4.625 3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.245 -4.742 5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.495 -5.888 6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.038 -6.540 6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.880 -7.611 5.942 1.00 0.00 H new ATOM 89 N THR A 8 -5.973 -9.070 3.135 1.00 0.00 N ATOM 90 CA THR A 8 -5.394 -10.392 2.962 1.00 0.00 C ATOM 91 C THR A 8 -3.910 -10.278 2.616 1.00 0.00 C ATOM 92 O THR A 8 -3.543 -10.138 1.448 1.00 0.00 O ATOM 93 CB THR A 8 -6.127 -11.167 1.852 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.542 -10.939 1.953 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.844 -12.656 1.946 1.00 0.00 C ATOM 0 H THR A 8 -5.912 -8.472 2.311 1.00 0.00 H new ATOM 0 HA THR A 8 -5.503 -10.936 3.900 1.00 0.00 H new ATOM 0 HB THR A 8 -5.763 -10.808 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.004 -11.433 1.244 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.375 -13.178 1.150 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.773 -12.830 1.843 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.181 -13.030 2.913 1.00 0.00 H new ATOM 103 N PRO A 9 -3.041 -10.298 3.640 1.00 0.00 N ATOM 104 CA PRO A 9 -1.594 -10.194 3.459 1.00 0.00 C ATOM 105 C PRO A 9 -0.999 -11.458 2.842 1.00 0.00 C ATOM 106 O PRO A 9 -1.297 -12.573 3.277 1.00 0.00 O ATOM 107 CB PRO A 9 -1.055 -9.995 4.887 1.00 0.00 C ATOM 108 CG PRO A 9 -2.253 -9.727 5.737 1.00 0.00 C ATOM 109 CD PRO A 9 -3.398 -10.418 5.059 1.00 0.00 C ATOM 0 HA PRO A 9 -1.331 -9.385 2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.521 -10.881 5.231 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.352 -9.163 4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.109 -10.109 6.748 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.439 -8.657 5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.486 -11.459 5.369 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.351 -9.938 5.280 1.00 0.00 H new ATOM 117 N SER A 10 -0.161 -11.281 1.832 1.00 0.00 N ATOM 118 CA SER A 10 0.478 -12.400 1.156 1.00 0.00 C ATOM 119 C SER A 10 1.740 -12.843 1.904 1.00 0.00 C ATOM 120 O SER A 10 2.856 -12.688 1.411 1.00 0.00 O ATOM 121 CB SER A 10 0.822 -11.996 -0.279 1.00 0.00 C ATOM 122 OG SER A 10 -0.217 -11.212 -0.843 1.00 0.00 O ATOM 0 H SER A 10 0.094 -10.366 1.460 1.00 0.00 H new ATOM 0 HA SER A 10 -0.213 -13.243 1.139 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.755 -11.433 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.981 -12.888 -0.885 1.00 0.00 H new ATOM 0 HG SER A 10 -0.056 -11.096 -1.803 1.00 0.00 H new ATOM 128 N SER A 11 1.558 -13.386 3.098 1.00 0.00 N ATOM 129 CA SER A 11 2.681 -13.847 3.899 1.00 0.00 C ATOM 130 C SER A 11 2.985 -15.311 3.600 1.00 0.00 C ATOM 131 O SER A 11 2.107 -16.168 3.715 1.00 0.00 O ATOM 132 CB SER A 11 2.369 -13.674 5.384 1.00 0.00 C ATOM 133 OG SER A 11 1.833 -12.389 5.651 1.00 0.00 O ATOM 0 H SER A 11 0.645 -13.518 3.533 1.00 0.00 H new ATOM 0 HA SER A 11 3.557 -13.250 3.645 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.660 -14.439 5.700 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.278 -13.820 5.968 1.00 0.00 H new ATOM 0 HG SER A 11 1.641 -12.307 6.609 1.00 0.00 H new ATOM 139 N GLY A 12 4.220 -15.589 3.200 1.00 0.00 N ATOM 140 CA GLY A 12 4.618 -16.951 2.891 1.00 0.00 C ATOM 141 C GLY A 12 4.573 -17.236 1.406 1.00 0.00 C ATOM 142 O GLY A 12 5.064 -18.263 0.938 1.00 0.00 O ATOM 0 H GLY A 12 4.956 -14.893 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.628 -17.126 3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.961 -17.647 3.413 1.00 0.00 H new ATOM 146 N LEU A 13 3.991 -16.318 0.658 1.00 0.00 N ATOM 147 CA LEU A 13 3.875 -16.469 -0.780 1.00 0.00 C ATOM 148 C LEU A 13 5.059 -15.811 -1.472 1.00 0.00 C ATOM 149 O LEU A 13 5.858 -15.134 -0.826 1.00 0.00 O ATOM 150 CB LEU A 13 2.557 -15.869 -1.267 1.00 0.00 C ATOM 151 CG LEU A 13 1.308 -16.460 -0.606 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.047 -15.814 -1.153 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.261 -17.964 -0.808 1.00 0.00 C ATOM 0 H LEU A 13 3.589 -15.455 1.025 1.00 0.00 H new ATOM 0 HA LEU A 13 3.880 -17.530 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.573 -14.794 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.484 -16.011 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 13 1.361 -16.253 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.826 -16.251 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.073 -14.742 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.012 -15.985 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.367 -18.367 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.236 -18.187 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.146 -18.419 -0.363 1.00 0.00 H new ATOM 165 N SER A 14 5.187 -16.030 -2.770 1.00 0.00 N ATOM 166 CA SER A 14 6.288 -15.458 -3.535 1.00 0.00 C ATOM 167 C SER A 14 5.916 -14.082 -4.087 1.00 0.00 C ATOM 168 O SER A 14 4.830 -13.567 -3.815 1.00 0.00 O ATOM 169 CB SER A 14 6.661 -16.405 -4.676 1.00 0.00 C ATOM 170 OG SER A 14 6.657 -17.756 -4.238 1.00 0.00 O ATOM 0 H SER A 14 4.543 -16.600 -3.318 1.00 0.00 H new ATOM 0 HA SER A 14 7.145 -15.331 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.957 -16.284 -5.499 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.648 -16.146 -5.060 1.00 0.00 H new ATOM 0 HG SER A 14 6.897 -18.343 -4.985 1.00 0.00 H new ATOM 176 N ASP A 15 6.822 -13.489 -4.855 1.00 0.00 N ATOM 177 CA ASP A 15 6.573 -12.184 -5.452 1.00 0.00 C ATOM 178 C ASP A 15 5.623 -12.323 -6.632 1.00 0.00 C ATOM 179 O ASP A 15 5.448 -13.416 -7.175 1.00 0.00 O ATOM 180 CB ASP A 15 7.879 -11.527 -5.908 1.00 0.00 C ATOM 181 CG ASP A 15 8.457 -12.155 -7.164 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.077 -13.235 -7.064 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.313 -11.560 -8.251 1.00 0.00 O ATOM 0 H ASP A 15 7.733 -13.890 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 15 6.117 -11.547 -4.694 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.701 -10.467 -6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.613 -11.595 -5.105 1.00 0.00 H new ATOM 188 N GLY A 16 5.008 -11.220 -7.021 1.00 0.00 N ATOM 189 CA GLY A 16 4.072 -11.247 -8.127 1.00 0.00 C ATOM 190 C GLY A 16 2.666 -11.541 -7.656 1.00 0.00 C ATOM 191 O GLY A 16 1.699 -11.383 -8.403 1.00 0.00 O ATOM 0 H GLY A 16 5.139 -10.304 -6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.090 -10.288 -8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.381 -12.004 -8.848 1.00 0.00 H new ATOM 195 N THR A 17 2.563 -11.968 -6.410 1.00 0.00 N ATOM 196 CA THR A 17 1.282 -12.285 -5.812 1.00 0.00 C ATOM 197 C THR A 17 0.466 -11.015 -5.597 1.00 0.00 C ATOM 198 O THR A 17 1.013 -9.953 -5.288 1.00 0.00 O ATOM 199 CB THR A 17 1.468 -13.021 -4.471 1.00 0.00 C ATOM 200 OG1 THR A 17 2.418 -14.086 -4.633 1.00 0.00 O ATOM 201 CG2 THR A 17 0.149 -13.593 -3.970 1.00 0.00 C ATOM 0 H THR A 17 3.361 -12.104 -5.789 1.00 0.00 H new ATOM 0 HA THR A 17 0.745 -12.942 -6.496 1.00 0.00 H new ATOM 0 HB THR A 17 1.834 -12.303 -3.737 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.317 -13.758 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.312 -14.106 -3.022 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.567 -12.784 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.243 -14.299 -4.702 1.00 0.00 H new ATOM 209 N VAL A 18 -0.834 -11.128 -5.777 1.00 0.00 N ATOM 210 CA VAL A 18 -1.725 -9.997 -5.611 1.00 0.00 C ATOM 211 C VAL A 18 -2.196 -9.881 -4.164 1.00 0.00 C ATOM 212 O VAL A 18 -2.683 -10.849 -3.581 1.00 0.00 O ATOM 213 CB VAL A 18 -2.944 -10.116 -6.549 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.008 -9.088 -6.204 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.512 -9.964 -7.997 1.00 0.00 C ATOM 0 H VAL A 18 -1.300 -11.997 -6.040 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.168 -9.097 -5.871 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.378 -11.106 -6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.854 -9.198 -6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.344 -9.242 -5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.591 -8.086 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.382 -10.050 -8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.049 -8.987 -8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.794 -10.745 -8.246 1.00 0.00 H new ATOM 225 N VAL A 19 -2.022 -8.703 -3.586 1.00 0.00 N ATOM 226 CA VAL A 19 -2.449 -8.449 -2.223 1.00 0.00 C ATOM 227 C VAL A 19 -3.845 -7.835 -2.235 1.00 0.00 C ATOM 228 O VAL A 19 -4.065 -6.790 -2.851 1.00 0.00 O ATOM 229 CB VAL A 19 -1.480 -7.499 -1.490 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.824 -7.418 -0.012 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.035 -7.945 -1.680 1.00 0.00 C ATOM 0 H VAL A 19 -1.585 -7.904 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.457 -9.400 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.589 -6.505 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.129 -6.743 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.841 -7.043 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.750 -8.410 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.630 -7.260 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.091 -8.951 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.209 -7.944 -2.742 1.00 0.00 H new ATOM 241 N LYS A 20 -4.785 -8.492 -1.573 1.00 0.00 N ATOM 242 CA LYS A 20 -6.157 -8.012 -1.527 1.00 0.00 C ATOM 243 C LYS A 20 -6.388 -7.130 -0.305 1.00 0.00 C ATOM 244 O LYS A 20 -6.125 -7.537 0.830 1.00 0.00 O ATOM 245 CB LYS A 20 -7.131 -9.188 -1.503 1.00 0.00 C ATOM 246 CG LYS A 20 -8.582 -8.785 -1.725 1.00 0.00 C ATOM 247 CD LYS A 20 -9.537 -9.917 -1.376 1.00 0.00 C ATOM 248 CE LYS A 20 -9.338 -11.127 -2.277 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.275 -12.229 -1.939 1.00 0.00 N ATOM 0 H LYS A 20 -4.623 -9.359 -1.060 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.333 -7.417 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.841 -9.905 -2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.048 -9.698 -0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.815 -7.911 -1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.725 -8.496 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.388 -10.210 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.565 -9.565 -1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.483 -10.833 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.312 -11.482 -2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.107 -13.035 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.120 -12.527 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.255 -11.898 -2.050 1.00 0.00 H new ATOM 263 N VAL A 21 -6.874 -5.925 -0.548 1.00 0.00 N ATOM 264 CA VAL A 21 -7.164 -4.978 0.517 1.00 0.00 C ATOM 265 C VAL A 21 -8.620 -4.534 0.431 1.00 0.00 C ATOM 266 O VAL A 21 -9.017 -3.881 -0.535 1.00 0.00 O ATOM 267 CB VAL A 21 -6.242 -3.741 0.430 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.636 -2.690 1.457 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.787 -4.147 0.610 1.00 0.00 C ATOM 0 H VAL A 21 -7.078 -5.576 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.985 -5.475 1.470 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.360 -3.302 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.970 -1.831 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.663 -2.372 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.558 -3.113 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.152 -3.263 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.658 -4.616 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.507 -4.853 -0.172 1.00 0.00 H new ATOM 279 N ALA A 22 -9.416 -4.913 1.421 1.00 0.00 N ATOM 280 CA ALA A 22 -10.826 -4.548 1.448 1.00 0.00 C ATOM 281 C ALA A 22 -11.159 -3.748 2.702 1.00 0.00 C ATOM 282 O ALA A 22 -11.257 -4.298 3.800 1.00 0.00 O ATOM 283 CB ALA A 22 -11.697 -5.793 1.366 1.00 0.00 C ATOM 0 H ALA A 22 -9.110 -5.473 2.216 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.031 -3.920 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.748 -5.504 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.486 -6.324 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.482 -6.444 2.214 1.00 0.00 H new ATOM 289 N GLY A 23 -11.327 -2.449 2.535 1.00 0.00 N ATOM 290 CA GLY A 23 -11.645 -1.597 3.658 1.00 0.00 C ATOM 291 C GLY A 23 -13.137 -1.394 3.811 1.00 0.00 C ATOM 292 O GLY A 23 -13.804 -0.940 2.881 1.00 0.00 O ATOM 0 H GLY A 23 -11.249 -1.967 1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.243 -2.036 4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.159 -0.630 3.529 1.00 0.00 H new ATOM 296 N ALA A 24 -13.660 -1.746 4.976 1.00 0.00 N ATOM 297 CA ALA A 24 -15.081 -1.596 5.259 1.00 0.00 C ATOM 298 C ALA A 24 -15.299 -0.559 6.356 1.00 0.00 C ATOM 299 O ALA A 24 -14.557 -0.518 7.340 1.00 0.00 O ATOM 300 CB ALA A 24 -15.683 -2.933 5.659 1.00 0.00 C ATOM 0 H ALA A 24 -13.118 -2.140 5.745 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.582 -1.249 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.745 -2.806 5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.556 -3.647 4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.180 -3.306 6.551 1.00 0.00 H new ATOM 306 N GLY A 25 -16.310 0.277 6.183 1.00 0.00 N ATOM 307 CA GLY A 25 -16.592 1.305 7.164 1.00 0.00 C ATOM 308 C GLY A 25 -15.734 2.529 6.935 1.00 0.00 C ATOM 309 O GLY A 25 -15.250 3.153 7.883 1.00 0.00 O ATOM 0 H GLY A 25 -16.941 0.263 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.645 1.581 7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.413 0.914 8.166 1.00 0.00 H new ATOM 313 N LEU A 26 -15.539 2.861 5.669 1.00 0.00 N ATOM 314 CA LEU A 26 -14.725 4.001 5.285 1.00 0.00 C ATOM 315 C LEU A 26 -15.612 5.182 4.915 1.00 0.00 C ATOM 316 O LEU A 26 -16.838 5.071 4.915 1.00 0.00 O ATOM 317 CB LEU A 26 -13.825 3.631 4.100 1.00 0.00 C ATOM 318 CG LEU A 26 -12.917 2.415 4.312 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.085 2.155 3.065 1.00 0.00 C ATOM 320 CD2 LEU A 26 -12.017 2.614 5.526 1.00 0.00 C ATOM 0 H LEU A 26 -15.939 2.350 4.882 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.099 4.283 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.457 3.443 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.200 4.491 3.859 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.546 1.545 4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.444 1.289 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.746 1.963 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.467 3.027 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.382 1.738 5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.393 3.495 5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.631 2.752 6.416 1.00 0.00 H new ATOM 332 N GLN A 27 -14.989 6.304 4.596 1.00 0.00 N ATOM 333 CA GLN A 27 -15.721 7.504 4.221 1.00 0.00 C ATOM 334 C GLN A 27 -16.006 7.487 2.720 1.00 0.00 C ATOM 335 O GLN A 27 -15.077 7.487 1.910 1.00 0.00 O ATOM 336 CB GLN A 27 -14.908 8.748 4.598 1.00 0.00 C ATOM 337 CG GLN A 27 -15.693 10.051 4.513 1.00 0.00 C ATOM 338 CD GLN A 27 -16.669 10.234 5.662 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.468 9.713 6.760 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.726 10.989 5.422 1.00 0.00 N ATOM 0 H GLN A 27 -13.975 6.410 4.589 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.670 7.532 4.757 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.531 8.629 5.614 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.040 8.815 3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.995 10.888 4.500 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.241 10.078 3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.858 11.403 4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.410 11.158 6.159 1.00 0.00 H new ATOM 349 N ALA A 28 -17.282 7.467 2.352 1.00 0.00 N ATOM 350 CA ALA A 28 -17.684 7.433 0.948 1.00 0.00 C ATOM 351 C ALA A 28 -17.228 8.680 0.200 1.00 0.00 C ATOM 352 O ALA A 28 -17.188 9.778 0.765 1.00 0.00 O ATOM 353 CB ALA A 28 -19.193 7.275 0.833 1.00 0.00 C ATOM 0 H ALA A 28 -18.061 7.474 3.010 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.197 6.573 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.477 7.251 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.499 6.345 1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.685 8.115 1.323 1.00 0.00 H new ATOM 359 N GLY A 29 -16.861 8.501 -1.066 1.00 0.00 N ATOM 360 CA GLY A 29 -16.419 9.618 -1.881 1.00 0.00 C ATOM 361 C GLY A 29 -14.965 9.975 -1.649 1.00 0.00 C ATOM 362 O GLY A 29 -14.452 10.922 -2.245 1.00 0.00 O ATOM 0 H GLY A 29 -16.862 7.599 -1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.565 9.374 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.041 10.487 -1.666 1.00 0.00 H new ATOM 366 N THR A 30 -14.303 9.225 -0.783 1.00 0.00 N ATOM 367 CA THR A 30 -12.906 9.473 -0.472 1.00 0.00 C ATOM 368 C THR A 30 -12.002 8.509 -1.227 1.00 0.00 C ATOM 369 O THR A 30 -12.314 7.323 -1.356 1.00 0.00 O ATOM 370 CB THR A 30 -12.644 9.329 1.038 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.745 9.874 1.773 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.359 10.035 1.449 1.00 0.00 C ATOM 0 H THR A 30 -14.713 8.437 -0.282 1.00 0.00 H new ATOM 0 HA THR A 30 -12.681 10.494 -0.780 1.00 0.00 H new ATOM 0 HB THR A 30 -12.536 8.268 1.262 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.456 9.203 1.843 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.204 9.914 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.517 9.601 0.909 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.435 11.096 1.211 1.00 0.00 H new ATOM 380 N ALA A 31 -10.894 9.024 -1.732 1.00 0.00 N ATOM 381 CA ALA A 31 -9.938 8.216 -2.465 1.00 0.00 C ATOM 382 C ALA A 31 -8.893 7.649 -1.515 1.00 0.00 C ATOM 383 O ALA A 31 -8.291 8.384 -0.729 1.00 0.00 O ATOM 384 CB ALA A 31 -9.275 9.045 -3.550 1.00 0.00 C ATOM 0 H ALA A 31 -10.634 10.007 -1.646 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.465 7.386 -2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.560 8.428 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.033 9.414 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.755 9.889 -3.097 1.00 0.00 H new ATOM 390 N TYR A 32 -8.693 6.344 -1.569 1.00 0.00 N ATOM 391 CA TYR A 32 -7.720 5.686 -0.714 1.00 0.00 C ATOM 392 C TYR A 32 -6.535 5.192 -1.534 1.00 0.00 C ATOM 393 O TYR A 32 -6.694 4.391 -2.458 1.00 0.00 O ATOM 394 CB TYR A 32 -8.372 4.522 0.040 1.00 0.00 C ATOM 395 CG TYR A 32 -9.313 4.965 1.144 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.590 5.429 0.855 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.921 4.918 2.477 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.447 5.837 1.860 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.773 5.323 3.489 1.00 0.00 C ATOM 400 CZ TYR A 32 -11.034 5.782 3.176 1.00 0.00 C ATOM 401 OH TYR A 32 -11.885 6.188 4.181 1.00 0.00 O ATOM 0 H TYR A 32 -9.194 5.717 -2.199 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.356 6.410 0.015 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.923 3.904 -0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.591 3.895 0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.919 5.472 -0.173 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.934 4.559 2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.436 6.197 1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.451 5.280 4.519 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.440 6.084 5.048 1.00 0.00 H new ATOM 411 N ASP A 33 -5.354 5.686 -1.193 1.00 0.00 N ATOM 412 CA ASP A 33 -4.129 5.303 -1.884 1.00 0.00 C ATOM 413 C ASP A 33 -3.562 4.042 -1.254 1.00 0.00 C ATOM 414 O ASP A 33 -3.254 4.018 -0.058 1.00 0.00 O ATOM 415 CB ASP A 33 -3.095 6.433 -1.815 1.00 0.00 C ATOM 416 CG ASP A 33 -1.939 6.255 -2.790 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.534 5.106 -3.053 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.426 7.277 -3.298 1.00 0.00 O ATOM 0 H ASP A 33 -5.217 6.357 -0.437 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.361 5.112 -2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.591 7.382 -2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.700 6.492 -0.801 1.00 0.00 H new ATOM 423 N VAL A 34 -3.448 2.990 -2.054 1.00 0.00 N ATOM 424 CA VAL A 34 -2.924 1.718 -1.577 1.00 0.00 C ATOM 425 C VAL A 34 -1.887 1.163 -2.550 1.00 0.00 C ATOM 426 O VAL A 34 -2.158 1.010 -3.744 1.00 0.00 O ATOM 427 CB VAL A 34 -4.041 0.666 -1.383 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.493 -0.563 -0.671 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.218 1.249 -0.613 1.00 0.00 C ATOM 0 H VAL A 34 -3.712 2.993 -3.039 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.460 1.914 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.400 0.369 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.291 -1.294 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.692 -1.001 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.104 -0.274 0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.987 0.486 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.881 1.583 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.629 2.095 -1.163 1.00 0.00 H new ATOM 439 N GLY A 35 -0.698 0.880 -2.036 1.00 0.00 N ATOM 440 CA GLY A 35 0.358 0.329 -2.856 1.00 0.00 C ATOM 441 C GLY A 35 1.304 -0.521 -2.038 1.00 0.00 C ATOM 442 O GLY A 35 1.185 -0.581 -0.814 1.00 0.00 O ATOM 0 H GLY A 35 -0.447 1.024 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.076 -0.272 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.912 1.139 -3.331 1.00 0.00 H new ATOM 446 N GLN A 36 2.233 -1.193 -2.701 1.00 0.00 N ATOM 447 CA GLN A 36 3.197 -2.023 -2.002 1.00 0.00 C ATOM 448 C GLN A 36 4.403 -1.178 -1.615 1.00 0.00 C ATOM 449 O GLN A 36 5.060 -0.592 -2.474 1.00 0.00 O ATOM 450 CB GLN A 36 3.619 -3.222 -2.859 1.00 0.00 C ATOM 451 CG GLN A 36 4.150 -2.849 -4.236 1.00 0.00 C ATOM 452 CD GLN A 36 5.420 -3.599 -4.597 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.650 -3.922 -5.758 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.262 -3.871 -3.611 1.00 0.00 N ATOM 0 H GLN A 36 2.338 -1.179 -3.715 1.00 0.00 H new ATOM 0 HA GLN A 36 2.734 -2.419 -1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.386 -3.783 -2.326 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.764 -3.887 -2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.385 -3.057 -4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.344 -1.777 -4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.039 -3.588 -2.657 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.133 -4.364 -3.806 1.00 0.00 H new ATOM 463 N CYS A 37 4.678 -1.095 -0.327 1.00 0.00 N ATOM 464 CA CYS A 37 5.783 -0.290 0.157 1.00 0.00 C ATOM 465 C CYS A 37 6.739 -1.112 1.006 1.00 0.00 C ATOM 466 O CYS A 37 6.493 -2.284 1.278 1.00 0.00 O ATOM 467 CB CYS A 37 5.237 0.877 0.977 1.00 0.00 C ATOM 468 SG CYS A 37 3.531 1.348 0.543 1.00 0.00 S ATOM 0 H CYS A 37 4.151 -1.575 0.403 1.00 0.00 H new ATOM 0 HA CYS A 37 6.337 0.085 -0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.273 0.614 2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.888 1.741 0.841 1.00 0.00 H new ATOM 473 N ALA A 38 7.840 -0.490 1.399 1.00 0.00 N ATOM 474 CA ALA A 38 8.842 -1.132 2.235 1.00 0.00 C ATOM 475 C ALA A 38 9.771 -0.074 2.811 1.00 0.00 C ATOM 476 O ALA A 38 9.600 1.116 2.536 1.00 0.00 O ATOM 477 CB ALA A 38 9.636 -2.166 1.449 1.00 0.00 C ATOM 0 H ALA A 38 8.064 0.473 1.148 1.00 0.00 H new ATOM 0 HA ALA A 38 8.337 -1.654 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.377 -2.628 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.960 -2.931 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.141 -1.680 0.614 1.00 0.00 H new ATOM 483 N TRP A 39 10.746 -0.502 3.597 1.00 0.00 N ATOM 484 CA TRP A 39 11.696 0.420 4.209 1.00 0.00 C ATOM 485 C TRP A 39 12.720 0.909 3.190 1.00 0.00 C ATOM 486 O TRP A 39 13.666 0.195 2.847 1.00 0.00 O ATOM 487 CB TRP A 39 12.413 -0.251 5.381 1.00 0.00 C ATOM 488 CG TRP A 39 11.789 0.044 6.713 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.458 0.024 7.020 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.473 0.400 7.918 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.275 0.351 8.340 1.00 0.00 N ATOM 492 CE2 TRP A 39 11.497 0.586 8.914 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.818 0.577 8.251 1.00 0.00 C ATOM 494 CZ2 TRP A 39 11.822 0.939 10.217 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.141 0.931 9.546 1.00 0.00 C ATOM 496 CH2 TRP A 39 13.147 1.108 10.516 1.00 0.00 C ATOM 0 H TRP A 39 10.902 -1.483 3.828 1.00 0.00 H new ATOM 0 HA TRP A 39 11.136 1.280 4.577 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.420 -1.329 5.223 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.453 0.076 5.396 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.666 -0.214 6.326 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.375 0.410 8.817 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.591 0.440 7.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.057 1.075 10.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.177 1.074 9.815 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.432 1.384 11.521 1.00 0.00 H new ATOM 507 N VAL A 40 12.516 2.128 2.703 1.00 0.00 N ATOM 508 CA VAL A 40 13.422 2.720 1.731 1.00 0.00 C ATOM 509 C VAL A 40 14.549 3.451 2.458 1.00 0.00 C ATOM 510 O VAL A 40 15.640 3.645 1.917 1.00 0.00 O ATOM 511 CB VAL A 40 12.681 3.687 0.772 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.141 4.903 1.515 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.588 4.112 -0.380 1.00 0.00 C ATOM 0 H VAL A 40 11.731 2.724 2.966 1.00 0.00 H new ATOM 0 HA VAL A 40 13.841 1.917 1.124 1.00 0.00 H new ATOM 0 HB VAL A 40 11.829 3.150 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.627 5.560 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.442 4.578 2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.967 5.442 1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.046 4.790 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.468 4.618 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.899 3.231 -0.942 1.00 0.00 H new ATOM 523 N ASP A 41 14.276 3.830 3.697 1.00 0.00 N ATOM 524 CA ASP A 41 15.243 4.526 4.525 1.00 0.00 C ATOM 525 C ASP A 41 15.173 3.968 5.943 1.00 0.00 C ATOM 526 O ASP A 41 14.432 3.017 6.194 1.00 0.00 O ATOM 527 CB ASP A 41 14.962 6.031 4.523 1.00 0.00 C ATOM 528 CG ASP A 41 16.228 6.856 4.628 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.729 7.038 5.754 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.730 7.322 3.581 1.00 0.00 O ATOM 0 H ASP A 41 13.379 3.663 4.154 1.00 0.00 H new ATOM 0 HA ASP A 41 16.245 4.372 4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.433 6.298 3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.302 6.276 5.356 1.00 0.00 H new ATOM 535 N THR A 42 15.925 4.550 6.867 1.00 0.00 N ATOM 536 CA THR A 42 15.932 4.085 8.249 1.00 0.00 C ATOM 537 C THR A 42 14.702 4.584 9.006 1.00 0.00 C ATOM 538 O THR A 42 14.806 5.398 9.924 1.00 0.00 O ATOM 539 CB THR A 42 17.203 4.547 8.985 1.00 0.00 C ATOM 540 OG1 THR A 42 18.259 4.777 8.040 1.00 0.00 O ATOM 541 CG2 THR A 42 17.647 3.505 10.002 1.00 0.00 C ATOM 0 H THR A 42 16.538 5.345 6.686 1.00 0.00 H new ATOM 0 HA THR A 42 15.914 2.996 8.219 1.00 0.00 H new ATOM 0 HB THR A 42 16.976 5.474 9.511 1.00 0.00 H new ATOM 0 HG1 THR A 42 19.064 5.072 8.514 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.547 3.853 10.510 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.854 3.350 10.734 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.859 2.565 9.492 1.00 0.00 H new ATOM 549 N GLY A 43 13.538 4.097 8.602 1.00 0.00 N ATOM 550 CA GLY A 43 12.299 4.492 9.240 1.00 0.00 C ATOM 551 C GLY A 43 11.284 4.970 8.229 1.00 0.00 C ATOM 552 O GLY A 43 10.082 4.763 8.393 1.00 0.00 O ATOM 0 H GLY A 43 13.429 3.430 7.838 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.890 3.649 9.797 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.497 5.285 9.962 1.00 0.00 H new ATOM 556 N VAL A 44 11.777 5.602 7.176 1.00 0.00 N ATOM 557 CA VAL A 44 10.924 6.115 6.117 1.00 0.00 C ATOM 558 C VAL A 44 10.590 5.009 5.122 1.00 0.00 C ATOM 559 O VAL A 44 11.458 4.223 4.730 1.00 0.00 O ATOM 560 CB VAL A 44 11.589 7.298 5.375 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.647 7.900 4.340 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.040 8.359 6.366 1.00 0.00 C ATOM 0 H VAL A 44 12.772 5.773 7.032 1.00 0.00 H new ATOM 0 HA VAL A 44 10.006 6.476 6.581 1.00 0.00 H new ATOM 0 HB VAL A 44 12.464 6.916 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.143 8.729 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.377 7.139 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.746 8.263 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.506 9.185 5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.178 8.728 6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.760 7.926 7.060 1.00 0.00 H new ATOM 572 N LEU A 45 9.329 4.943 4.728 1.00 0.00 N ATOM 573 CA LEU A 45 8.872 3.935 3.786 1.00 0.00 C ATOM 574 C LEU A 45 8.507 4.583 2.457 1.00 0.00 C ATOM 575 O LEU A 45 8.448 5.807 2.357 1.00 0.00 O ATOM 576 CB LEU A 45 7.665 3.185 4.353 1.00 0.00 C ATOM 577 CG LEU A 45 7.867 2.574 5.742 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.309 3.490 6.820 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.217 1.203 5.822 1.00 0.00 C ATOM 0 H LEU A 45 8.600 5.580 5.048 1.00 0.00 H new ATOM 0 HA LEU A 45 9.681 3.223 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.819 3.871 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.395 2.388 3.660 1.00 0.00 H new ATOM 0 HG LEU A 45 8.938 2.459 5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.463 3.036 7.799 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.821 4.452 6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.242 3.640 6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.371 0.785 6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.148 1.295 5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.665 0.544 5.078 1.00 0.00 H new ATOM 591 N ALA A 46 8.280 3.763 1.442 1.00 0.00 N ATOM 592 CA ALA A 46 7.920 4.263 0.119 1.00 0.00 C ATOM 593 C ALA A 46 7.315 3.150 -0.731 1.00 0.00 C ATOM 594 O ALA A 46 7.693 1.988 -0.587 1.00 0.00 O ATOM 595 CB ALA A 46 9.142 4.850 -0.569 1.00 0.00 C ATOM 0 H ALA A 46 8.338 2.747 1.507 1.00 0.00 H new ATOM 0 HA ALA A 46 7.172 5.047 0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.862 5.220 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.536 5.672 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.906 4.079 -0.674 1.00 0.00 H new ATOM 601 N CYS A 47 6.383 3.508 -1.611 1.00 0.00 N ATOM 602 CA CYS A 47 5.722 2.531 -2.478 1.00 0.00 C ATOM 603 C CYS A 47 5.949 2.875 -3.945 1.00 0.00 C ATOM 604 O CYS A 47 6.418 3.966 -4.257 1.00 0.00 O ATOM 605 CB CYS A 47 4.219 2.489 -2.195 1.00 0.00 C ATOM 606 SG CYS A 47 3.750 3.056 -0.528 1.00 0.00 S ATOM 0 H CYS A 47 6.067 4.469 -1.744 1.00 0.00 H new ATOM 0 HA CYS A 47 6.154 1.552 -2.268 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.705 3.105 -2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.865 1.467 -2.331 1.00 0.00 H new ATOM 611 N ASN A 48 5.617 1.948 -4.840 1.00 0.00 N ATOM 612 CA ASN A 48 5.784 2.189 -6.270 1.00 0.00 C ATOM 613 C ASN A 48 4.465 2.613 -6.909 1.00 0.00 C ATOM 614 O ASN A 48 3.417 2.027 -6.649 1.00 0.00 O ATOM 615 CB ASN A 48 6.366 0.960 -6.990 1.00 0.00 C ATOM 616 CG ASN A 48 5.397 -0.205 -7.132 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.559 -0.455 -6.270 1.00 0.00 O ATOM 618 ND2 ASN A 48 5.522 -0.932 -8.235 1.00 0.00 N ATOM 0 H ASN A 48 5.235 1.032 -4.604 1.00 0.00 H new ATOM 0 HA ASN A 48 6.498 3.005 -6.380 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.701 1.261 -7.983 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.247 0.619 -6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.909 -1.732 -8.391 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.231 -0.691 -8.927 1.00 0.00 H new ATOM 625 N PRO A 49 4.501 3.648 -7.761 1.00 0.00 N ATOM 626 CA PRO A 49 3.310 4.162 -8.429 1.00 0.00 C ATOM 627 C PRO A 49 3.000 3.431 -9.731 1.00 0.00 C ATOM 628 O PRO A 49 2.129 3.841 -10.500 1.00 0.00 O ATOM 629 CB PRO A 49 3.691 5.610 -8.704 1.00 0.00 C ATOM 630 CG PRO A 49 5.163 5.571 -8.942 1.00 0.00 C ATOM 631 CD PRO A 49 5.704 4.423 -8.125 1.00 0.00 C ATOM 0 HA PRO A 49 2.410 4.037 -7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.159 6.002 -9.571 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.442 6.253 -7.860 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.380 5.429 -10.001 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.628 6.511 -8.645 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.408 3.821 -8.699 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.234 4.777 -7.241 1.00 0.00 H new ATOM 639 N ALA A 50 3.715 2.345 -9.974 1.00 0.00 N ATOM 640 CA ALA A 50 3.515 1.559 -11.179 1.00 0.00 C ATOM 641 C ALA A 50 2.474 0.471 -10.956 1.00 0.00 C ATOM 642 O ALA A 50 1.677 0.171 -11.845 1.00 0.00 O ATOM 643 CB ALA A 50 4.827 0.946 -11.640 1.00 0.00 C ATOM 0 H ALA A 50 4.440 1.988 -9.352 1.00 0.00 H new ATOM 0 HA ALA A 50 3.148 2.227 -11.958 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.657 0.361 -12.544 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.545 1.739 -11.850 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.221 0.298 -10.857 1.00 0.00 H new ATOM 649 N ASP A 51 2.483 -0.121 -9.769 1.00 0.00 N ATOM 650 CA ASP A 51 1.535 -1.180 -9.445 1.00 0.00 C ATOM 651 C ASP A 51 0.497 -0.693 -8.449 1.00 0.00 C ATOM 652 O ASP A 51 -0.407 -1.439 -8.075 1.00 0.00 O ATOM 653 CB ASP A 51 2.252 -2.402 -8.879 1.00 0.00 C ATOM 654 CG ASP A 51 2.971 -3.198 -9.948 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.298 -3.739 -10.855 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.211 -3.281 -9.895 1.00 0.00 O ATOM 0 H ASP A 51 3.132 0.112 -9.018 1.00 0.00 H new ATOM 0 HA ASP A 51 1.033 -1.463 -10.370 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.970 -2.081 -8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.528 -3.044 -8.377 1.00 0.00 H new ATOM 661 N PHE A 52 0.634 0.556 -8.018 1.00 0.00 N ATOM 662 CA PHE A 52 -0.300 1.139 -7.067 1.00 0.00 C ATOM 663 C PHE A 52 -1.662 1.318 -7.731 1.00 0.00 C ATOM 664 O PHE A 52 -1.751 1.496 -8.948 1.00 0.00 O ATOM 665 CB PHE A 52 0.240 2.482 -6.534 1.00 0.00 C ATOM 666 CG PHE A 52 -0.440 3.710 -7.090 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.107 4.202 -8.342 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.409 4.374 -6.354 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.727 5.330 -8.850 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.031 5.500 -6.856 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.690 5.979 -8.104 1.00 0.00 C ATOM 0 H PHE A 52 1.383 1.182 -8.313 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.414 0.467 -6.216 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.141 2.491 -5.449 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.305 2.542 -6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.647 3.698 -8.929 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.681 4.006 -5.376 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.458 5.702 -9.828 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.785 6.006 -6.271 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.176 6.860 -8.497 1.00 0.00 H new ATOM 681 N SER A 53 -2.717 1.250 -6.941 1.00 0.00 N ATOM 682 CA SER A 53 -4.063 1.399 -7.462 1.00 0.00 C ATOM 683 C SER A 53 -4.968 2.057 -6.426 1.00 0.00 C ATOM 684 O SER A 53 -5.511 1.389 -5.543 1.00 0.00 O ATOM 685 CB SER A 53 -4.627 0.038 -7.881 1.00 0.00 C ATOM 686 OG SER A 53 -3.767 -0.605 -8.811 1.00 0.00 O ATOM 0 H SER A 53 -2.668 1.092 -5.934 1.00 0.00 H new ATOM 0 HA SER A 53 -4.024 2.042 -8.341 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.754 -0.593 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.614 0.170 -8.324 1.00 0.00 H new ATOM 0 HG SER A 53 -4.147 -1.472 -9.063 1.00 0.00 H new ATOM 692 N SER A 54 -5.105 3.373 -6.530 1.00 0.00 N ATOM 693 CA SER A 54 -5.940 4.131 -5.619 1.00 0.00 C ATOM 694 C SER A 54 -7.402 3.757 -5.830 1.00 0.00 C ATOM 695 O SER A 54 -7.904 3.783 -6.958 1.00 0.00 O ATOM 696 CB SER A 54 -5.727 5.626 -5.855 1.00 0.00 C ATOM 697 OG SER A 54 -5.210 5.855 -7.159 1.00 0.00 O ATOM 0 H SER A 54 -4.643 3.937 -7.243 1.00 0.00 H new ATOM 0 HA SER A 54 -5.667 3.897 -4.590 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.671 6.158 -5.733 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.038 6.024 -5.109 1.00 0.00 H new ATOM 0 HG SER A 54 -4.238 5.733 -7.151 1.00 0.00 H new ATOM 703 N VAL A 55 -8.077 3.390 -4.759 1.00 0.00 N ATOM 704 CA VAL A 55 -9.468 3.005 -4.845 1.00 0.00 C ATOM 705 C VAL A 55 -10.344 3.984 -4.077 1.00 0.00 C ATOM 706 O VAL A 55 -10.048 4.344 -2.939 1.00 0.00 O ATOM 707 CB VAL A 55 -9.691 1.561 -4.333 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.203 1.396 -2.901 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.153 1.162 -4.450 1.00 0.00 C ATOM 0 H VAL A 55 -7.683 3.351 -3.819 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.753 3.032 -5.897 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.102 0.896 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.375 0.371 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.137 1.619 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.747 2.081 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.283 0.144 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.764 1.842 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.462 1.214 -5.494 1.00 0.00 H new ATOM 719 N THR A 56 -11.394 4.448 -4.724 1.00 0.00 N ATOM 720 CA THR A 56 -12.314 5.372 -4.100 1.00 0.00 C ATOM 721 C THR A 56 -13.412 4.602 -3.365 1.00 0.00 C ATOM 722 O THR A 56 -13.916 3.593 -3.863 1.00 0.00 O ATOM 723 CB THR A 56 -12.925 6.343 -5.143 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.705 7.356 -4.492 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.791 5.603 -6.156 1.00 0.00 C ATOM 0 H THR A 56 -11.630 4.198 -5.684 1.00 0.00 H new ATOM 0 HA THR A 56 -11.762 5.971 -3.376 1.00 0.00 H new ATOM 0 HB THR A 56 -12.097 6.811 -5.676 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.082 7.961 -5.164 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.203 6.315 -6.871 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.185 4.867 -6.684 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.606 5.097 -5.638 1.00 0.00 H new ATOM 733 N ALA A 57 -13.746 5.046 -2.162 1.00 0.00 N ATOM 734 CA ALA A 57 -14.781 4.390 -1.381 1.00 0.00 C ATOM 735 C ALA A 57 -16.138 4.621 -2.024 1.00 0.00 C ATOM 736 O ALA A 57 -16.505 5.762 -2.326 1.00 0.00 O ATOM 737 CB ALA A 57 -14.775 4.884 0.058 1.00 0.00 C ATOM 0 H ALA A 57 -13.318 5.853 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.577 3.319 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.559 4.377 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.807 4.671 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.954 5.959 0.074 1.00 0.00 H new ATOM 743 N ASP A 58 -16.868 3.541 -2.247 1.00 0.00 N ATOM 744 CA ASP A 58 -18.183 3.625 -2.869 1.00 0.00 C ATOM 745 C ASP A 58 -19.209 4.215 -1.915 1.00 0.00 C ATOM 746 O ASP A 58 -18.901 4.522 -0.760 1.00 0.00 O ATOM 747 CB ASP A 58 -18.656 2.248 -3.359 1.00 0.00 C ATOM 748 CG ASP A 58 -18.580 1.152 -2.305 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.733 1.444 -1.098 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.369 -0.019 -2.689 1.00 0.00 O ATOM 0 H ASP A 58 -16.574 2.594 -2.007 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.089 4.287 -3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.686 2.332 -3.706 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.053 1.953 -4.218 1.00 0.00 H new ATOM 755 N ALA A 59 -20.436 4.355 -2.405 1.00 0.00 N ATOM 756 CA ALA A 59 -21.535 4.908 -1.617 1.00 0.00 C ATOM 757 C ALA A 59 -21.876 4.026 -0.420 1.00 0.00 C ATOM 758 O ALA A 59 -22.607 4.440 0.482 1.00 0.00 O ATOM 759 CB ALA A 59 -22.762 5.100 -2.496 1.00 0.00 C ATOM 0 H ALA A 59 -20.698 4.090 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.212 5.874 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.576 5.513 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.524 5.786 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.067 4.139 -2.910 1.00 0.00 H new ATOM 765 N ASN A 60 -21.344 2.814 -0.412 1.00 0.00 N ATOM 766 CA ASN A 60 -21.589 1.878 0.676 1.00 0.00 C ATOM 767 C ASN A 60 -20.563 2.082 1.784 1.00 0.00 C ATOM 768 O ASN A 60 -20.717 1.568 2.895 1.00 0.00 O ATOM 769 CB ASN A 60 -21.526 0.430 0.173 1.00 0.00 C ATOM 770 CG ASN A 60 -22.451 0.170 -0.998 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.523 0.761 -1.105 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.040 -0.719 -1.889 1.00 0.00 N ATOM 0 H ASN A 60 -20.738 2.454 -1.149 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.588 2.067 1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.502 0.197 -0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.784 -0.244 0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.620 -0.934 -2.700 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.143 -1.189 -1.765 1.00 0.00 H new ATOM 779 N GLY A 61 -19.521 2.845 1.477 1.00 0.00 N ATOM 780 CA GLY A 61 -18.474 3.103 2.446 1.00 0.00 C ATOM 781 C GLY A 61 -17.463 1.978 2.490 1.00 0.00 C ATOM 782 O GLY A 61 -16.916 1.657 3.545 1.00 0.00 O ATOM 0 H GLY A 61 -19.383 3.291 0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.969 4.036 2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.916 3.234 3.434 1.00 0.00 H new ATOM 786 N SER A 62 -17.220 1.376 1.335 1.00 0.00 N ATOM 787 CA SER A 62 -16.279 0.274 1.234 1.00 0.00 C ATOM 788 C SER A 62 -15.323 0.489 0.066 1.00 0.00 C ATOM 789 O SER A 62 -15.678 1.129 -0.927 1.00 0.00 O ATOM 790 CB SER A 62 -17.047 -1.035 1.062 1.00 0.00 C ATOM 791 OG SER A 62 -18.398 -0.790 0.685 1.00 0.00 O ATOM 0 H SER A 62 -17.663 1.634 0.453 1.00 0.00 H new ATOM 0 HA SER A 62 -15.687 0.226 2.148 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.560 -1.649 0.304 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.023 -1.600 1.994 1.00 0.00 H new ATOM 0 HG SER A 62 -18.421 -0.127 -0.036 1.00 0.00 H new ATOM 797 N ALA A 63 -14.107 -0.031 0.188 1.00 0.00 N ATOM 798 CA ALA A 63 -13.111 0.113 -0.865 1.00 0.00 C ATOM 799 C ALA A 63 -12.250 -1.141 -0.988 1.00 0.00 C ATOM 800 O ALA A 63 -11.484 -1.470 -0.086 1.00 0.00 O ATOM 801 CB ALA A 63 -12.236 1.329 -0.605 1.00 0.00 C ATOM 0 H ALA A 63 -13.788 -0.554 1.003 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.640 0.253 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.497 1.422 -1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.856 2.225 -0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.726 1.213 0.351 1.00 0.00 H new ATOM 807 N SER A 64 -12.385 -1.836 -2.108 1.00 0.00 N ATOM 808 CA SER A 64 -11.617 -3.046 -2.356 1.00 0.00 C ATOM 809 C SER A 64 -10.610 -2.806 -3.480 1.00 0.00 C ATOM 810 O SER A 64 -10.962 -2.296 -4.547 1.00 0.00 O ATOM 811 CB SER A 64 -12.554 -4.203 -2.719 1.00 0.00 C ATOM 812 OG SER A 64 -12.358 -5.322 -1.865 1.00 0.00 O ATOM 0 H SER A 64 -13.022 -1.581 -2.862 1.00 0.00 H new ATOM 0 HA SER A 64 -11.074 -3.311 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.589 -3.869 -2.650 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.383 -4.500 -3.754 1.00 0.00 H new ATOM 0 HG SER A 64 -12.972 -6.041 -2.122 1.00 0.00 H new ATOM 818 N THR A 65 -9.356 -3.156 -3.232 1.00 0.00 N ATOM 819 CA THR A 65 -8.303 -2.980 -4.217 1.00 0.00 C ATOM 820 C THR A 65 -7.341 -4.170 -4.192 1.00 0.00 C ATOM 821 O THR A 65 -7.253 -4.890 -3.193 1.00 0.00 O ATOM 822 CB THR A 65 -7.527 -1.663 -3.980 1.00 0.00 C ATOM 823 OG1 THR A 65 -6.563 -1.449 -5.020 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.826 -1.677 -2.629 1.00 0.00 C ATOM 0 H THR A 65 -9.044 -3.566 -2.352 1.00 0.00 H new ATOM 0 HA THR A 65 -8.773 -2.925 -5.199 1.00 0.00 H new ATOM 0 HB THR A 65 -8.250 -0.848 -3.991 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.332 -0.498 -5.061 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.288 -0.739 -2.488 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.565 -1.794 -1.837 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.122 -2.508 -2.593 1.00 0.00 H new ATOM 832 N SER A 66 -6.649 -4.386 -5.301 1.00 0.00 N ATOM 833 CA SER A 66 -5.695 -5.477 -5.421 1.00 0.00 C ATOM 834 C SER A 66 -4.369 -4.948 -5.960 1.00 0.00 C ATOM 835 O SER A 66 -4.331 -4.315 -7.016 1.00 0.00 O ATOM 836 CB SER A 66 -6.259 -6.551 -6.347 1.00 0.00 C ATOM 837 OG SER A 66 -7.572 -6.915 -5.957 1.00 0.00 O ATOM 0 H SER A 66 -6.733 -3.812 -6.140 1.00 0.00 H new ATOM 0 HA SER A 66 -5.520 -5.917 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.269 -6.184 -7.373 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.613 -7.429 -6.329 1.00 0.00 H new ATOM 0 HG SER A 66 -7.915 -7.603 -6.565 1.00 0.00 H new ATOM 843 N LEU A 67 -3.285 -5.201 -5.235 1.00 0.00 N ATOM 844 CA LEU A 67 -1.969 -4.712 -5.640 1.00 0.00 C ATOM 845 C LEU A 67 -1.010 -5.854 -5.935 1.00 0.00 C ATOM 846 O LEU A 67 -1.018 -6.871 -5.250 1.00 0.00 O ATOM 847 CB LEU A 67 -1.361 -3.821 -4.550 1.00 0.00 C ATOM 848 CG LEU A 67 -2.097 -2.507 -4.273 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.511 -1.825 -5.568 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.302 -2.740 -3.378 1.00 0.00 C ATOM 0 H LEU A 67 -3.289 -5.739 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.114 -4.132 -6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.317 -4.393 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.334 -3.588 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.408 -1.843 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.031 -0.895 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.625 -1.608 -6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.174 -2.483 -6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.808 -1.792 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.990 -3.431 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.974 -3.165 -2.429 1.00 0.00 H new ATOM 862 N THR A 68 -0.189 -5.677 -6.958 1.00 0.00 N ATOM 863 CA THR A 68 0.795 -6.678 -7.338 1.00 0.00 C ATOM 864 C THR A 68 2.133 -6.358 -6.685 1.00 0.00 C ATOM 865 O THR A 68 2.824 -5.427 -7.093 1.00 0.00 O ATOM 866 CB THR A 68 0.971 -6.728 -8.868 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.313 -6.654 -9.505 1.00 0.00 O ATOM 868 CG2 THR A 68 1.681 -8.005 -9.292 1.00 0.00 C ATOM 0 H THR A 68 -0.185 -4.842 -7.544 1.00 0.00 H new ATOM 0 HA THR A 68 0.440 -7.651 -6.998 1.00 0.00 H new ATOM 0 HB THR A 68 1.581 -5.878 -9.172 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.198 -6.684 -10.478 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.793 -8.016 -10.376 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.665 -8.046 -8.825 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.094 -8.869 -8.979 1.00 0.00 H new ATOM 876 N VAL A 69 2.489 -7.116 -5.656 1.00 0.00 N ATOM 877 CA VAL A 69 3.743 -6.882 -4.949 1.00 0.00 C ATOM 878 C VAL A 69 4.927 -7.510 -5.687 1.00 0.00 C ATOM 879 O VAL A 69 4.953 -8.712 -5.966 1.00 0.00 O ATOM 880 CB VAL A 69 3.682 -7.387 -3.481 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.430 -8.886 -3.411 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.955 -7.017 -2.730 1.00 0.00 C ATOM 0 H VAL A 69 1.934 -7.891 -5.294 1.00 0.00 H new ATOM 0 HA VAL A 69 3.894 -5.803 -4.922 1.00 0.00 H new ATOM 0 HB VAL A 69 2.840 -6.891 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.394 -9.201 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.480 -9.118 -3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.235 -9.415 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.891 -7.380 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.814 -7.472 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.072 -5.933 -2.725 1.00 0.00 H new ATOM 892 N ARG A 70 5.893 -6.676 -6.030 1.00 0.00 N ATOM 893 CA ARG A 70 7.083 -7.133 -6.722 1.00 0.00 C ATOM 894 C ARG A 70 8.199 -7.388 -5.718 1.00 0.00 C ATOM 895 O ARG A 70 8.109 -6.972 -4.563 1.00 0.00 O ATOM 896 CB ARG A 70 7.547 -6.094 -7.750 1.00 0.00 C ATOM 897 CG ARG A 70 6.424 -5.508 -8.593 1.00 0.00 C ATOM 898 CD ARG A 70 5.932 -6.485 -9.647 1.00 0.00 C ATOM 899 NE ARG A 70 4.840 -5.915 -10.429 1.00 0.00 N ATOM 900 CZ ARG A 70 4.409 -6.398 -11.591 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.980 -7.466 -12.131 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.407 -5.794 -12.213 1.00 0.00 N ATOM 0 H ARG A 70 5.875 -5.674 -5.839 1.00 0.00 H new ATOM 0 HA ARG A 70 6.842 -8.059 -7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.055 -5.284 -7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.280 -6.556 -8.411 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.594 -5.226 -7.945 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.773 -4.597 -9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.755 -6.754 -10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.597 -7.404 -9.166 1.00 0.00 H new ATOM 0 HE ARG A 70 4.374 -5.087 -10.058 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.757 -7.925 -11.655 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.642 -7.829 -13.022 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.975 -4.968 -11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.068 -6.155 -13.105 1.00 0.00 H new ATOM 916 N ARG A 71 9.249 -8.063 -6.157 1.00 0.00 N ATOM 917 CA ARG A 71 10.381 -8.348 -5.289 1.00 0.00 C ATOM 918 C ARG A 71 11.234 -7.090 -5.143 1.00 0.00 C ATOM 919 O ARG A 71 11.807 -6.826 -4.089 1.00 0.00 O ATOM 920 CB ARG A 71 11.213 -9.496 -5.855 1.00 0.00 C ATOM 921 CG ARG A 71 12.148 -10.131 -4.841 1.00 0.00 C ATOM 922 CD ARG A 71 11.418 -11.115 -3.941 1.00 0.00 C ATOM 923 NE ARG A 71 10.916 -12.262 -4.692 1.00 0.00 N ATOM 924 CZ ARG A 71 10.769 -13.484 -4.186 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.112 -13.736 -2.932 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.275 -14.451 -4.945 1.00 0.00 N ATOM 0 H ARG A 71 9.341 -8.423 -7.107 1.00 0.00 H new ATOM 0 HA ARG A 71 10.015 -8.649 -4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.542 -10.261 -6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.800 -9.127 -6.696 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.955 -10.645 -5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.607 -9.352 -4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.092 -11.460 -3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.587 -10.610 -3.448 1.00 0.00 H new ATOM 0 HE ARG A 71 10.661 -12.117 -5.669 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.492 -12.991 -2.348 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.997 -14.675 -2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.010 -14.256 -5.911 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.160 -15.390 -4.564 1.00 0.00 H new ATOM 940 N SER A 72 11.304 -6.323 -6.217 1.00 0.00 N ATOM 941 CA SER A 72 12.052 -5.076 -6.238 1.00 0.00 C ATOM 942 C SER A 72 11.172 -3.997 -6.852 1.00 0.00 C ATOM 943 O SER A 72 10.567 -4.212 -7.903 1.00 0.00 O ATOM 944 CB SER A 72 13.343 -5.250 -7.042 1.00 0.00 C ATOM 945 OG SER A 72 14.011 -6.453 -6.680 1.00 0.00 O ATOM 0 H SER A 72 10.844 -6.546 -7.100 1.00 0.00 H new ATOM 0 HA SER A 72 12.328 -4.785 -5.224 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.113 -5.264 -8.107 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.001 -4.398 -6.869 1.00 0.00 H new ATOM 0 HG SER A 72 14.489 -6.320 -5.835 1.00 0.00 H new ATOM 951 N PHE A 73 11.083 -2.844 -6.204 1.00 0.00 N ATOM 952 CA PHE A 73 10.234 -1.775 -6.705 1.00 0.00 C ATOM 953 C PHE A 73 10.829 -0.397 -6.444 1.00 0.00 C ATOM 954 O PHE A 73 11.808 -0.247 -5.712 1.00 0.00 O ATOM 955 CB PHE A 73 8.840 -1.881 -6.075 1.00 0.00 C ATOM 956 CG PHE A 73 8.826 -1.673 -4.585 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.245 -2.675 -3.727 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.392 -0.476 -4.046 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.231 -2.487 -2.362 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.377 -0.281 -2.680 1.00 0.00 C ATOM 961 CZ PHE A 73 8.796 -1.287 -1.838 1.00 0.00 C ATOM 0 H PHE A 73 11.582 -2.627 -5.341 1.00 0.00 H new ATOM 0 HA PHE A 73 10.158 -1.892 -7.786 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.185 -1.145 -6.541 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.425 -2.864 -6.299 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.587 -3.616 -4.132 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.061 0.316 -4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.560 -3.277 -1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.037 0.659 -2.272 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.784 -1.137 -0.769 1.00 0.00 H new ATOM 971 N GLU A 74 10.223 0.598 -7.066 1.00 0.00 N ATOM 972 CA GLU A 74 10.642 1.977 -6.938 1.00 0.00 C ATOM 973 C GLU A 74 10.027 2.588 -5.686 1.00 0.00 C ATOM 974 O GLU A 74 8.875 2.312 -5.359 1.00 0.00 O ATOM 975 CB GLU A 74 10.214 2.772 -8.177 1.00 0.00 C ATOM 976 CG GLU A 74 10.312 1.987 -9.481 1.00 0.00 C ATOM 977 CD GLU A 74 9.023 1.268 -9.846 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.666 0.283 -9.168 1.00 0.00 O ATOM 979 OE2 GLU A 74 8.366 1.676 -10.827 1.00 0.00 O ATOM 0 H GLU A 74 9.419 0.468 -7.680 1.00 0.00 H new ATOM 0 HA GLU A 74 11.728 2.014 -6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.186 3.108 -8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.834 3.665 -8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.581 2.668 -10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.117 1.257 -9.398 1.00 0.00 H new ATOM 986 N GLY A 75 10.788 3.418 -4.995 1.00 0.00 N ATOM 987 CA GLY A 75 10.291 4.032 -3.783 1.00 0.00 C ATOM 988 C GLY A 75 9.834 5.456 -3.997 1.00 0.00 C ATOM 989 O GLY A 75 10.636 6.330 -4.345 1.00 0.00 O ATOM 0 H GLY A 75 11.741 3.678 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.460 3.442 -3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.074 4.016 -3.025 1.00 0.00 H new ATOM 993 N PHE A 76 8.549 5.699 -3.784 1.00 0.00 N ATOM 994 CA PHE A 76 7.990 7.025 -3.949 1.00 0.00 C ATOM 995 C PHE A 76 7.292 7.449 -2.670 1.00 0.00 C ATOM 996 O PHE A 76 6.666 6.630 -1.994 1.00 0.00 O ATOM 997 CB PHE A 76 7.004 7.052 -5.120 1.00 0.00 C ATOM 998 CG PHE A 76 7.656 7.186 -6.467 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.398 6.143 -7.002 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.525 8.354 -7.199 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.997 6.263 -8.241 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.123 8.479 -8.438 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.861 7.433 -8.960 1.00 0.00 C ATOM 0 H PHE A 76 7.875 4.990 -3.496 1.00 0.00 H new ATOM 0 HA PHE A 76 8.799 7.722 -4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.412 6.137 -5.104 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.312 7.882 -4.979 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.509 5.226 -6.443 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.950 9.175 -6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.571 5.443 -8.646 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.014 9.395 -9.000 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.330 7.531 -9.928 1.00 0.00 H new ATOM 1013 N LEU A 77 7.419 8.723 -2.336 1.00 0.00 N ATOM 1014 CA LEU A 77 6.802 9.261 -1.136 1.00 0.00 C ATOM 1015 C LEU A 77 5.305 9.477 -1.349 1.00 0.00 C ATOM 1016 O LEU A 77 4.799 9.329 -2.465 1.00 0.00 O ATOM 1017 CB LEU A 77 7.482 10.571 -0.738 1.00 0.00 C ATOM 1018 CG LEU A 77 8.997 10.474 -0.544 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.577 11.836 -0.225 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.342 9.480 0.555 1.00 0.00 C ATOM 0 H LEU A 77 7.946 9.405 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 77 6.929 8.541 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.275 11.319 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.033 10.930 0.188 1.00 0.00 H new ATOM 0 HG LEU A 77 9.436 10.116 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.655 11.750 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.368 12.522 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.126 12.218 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.424 9.429 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.889 9.803 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.960 8.495 0.288 1.00 0.00 H new ATOM 1032 N PHE A 78 4.605 9.841 -0.281 1.00 0.00 N ATOM 1033 CA PHE A 78 3.161 10.063 -0.337 1.00 0.00 C ATOM 1034 C PHE A 78 2.809 11.241 -1.254 1.00 0.00 C ATOM 1035 O PHE A 78 1.752 11.257 -1.888 1.00 0.00 O ATOM 1036 CB PHE A 78 2.627 10.308 1.077 1.00 0.00 C ATOM 1037 CG PHE A 78 1.130 10.222 1.194 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.477 9.007 1.041 1.00 0.00 C ATOM 1039 CD2 PHE A 78 0.377 11.354 1.465 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -0.897 8.924 1.153 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -0.999 11.276 1.581 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.636 10.060 1.425 1.00 0.00 C ATOM 0 H PHE A 78 5.015 9.990 0.641 1.00 0.00 H new ATOM 0 HA PHE A 78 2.691 9.172 -0.755 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.076 9.581 1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.950 11.294 1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.050 8.116 0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.870 12.307 1.587 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.393 7.973 1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.575 12.165 1.793 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.710 9.997 1.515 1.00 0.00 H new ATOM 1052 N ASP A 79 3.706 12.220 -1.330 1.00 0.00 N ATOM 1053 CA ASP A 79 3.486 13.397 -2.169 1.00 0.00 C ATOM 1054 C ASP A 79 3.769 13.082 -3.636 1.00 0.00 C ATOM 1055 O ASP A 79 3.337 13.811 -4.526 1.00 0.00 O ATOM 1056 CB ASP A 79 4.363 14.567 -1.707 1.00 0.00 C ATOM 1057 CG ASP A 79 5.732 14.569 -2.361 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.587 13.752 -1.968 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.960 15.394 -3.275 1.00 0.00 O ATOM 0 H ASP A 79 4.591 12.223 -0.822 1.00 0.00 H new ATOM 0 HA ASP A 79 2.439 13.683 -2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.857 15.506 -1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.482 14.520 -0.625 1.00 0.00 H new ATOM 1064 N GLY A 80 4.493 11.998 -3.880 1.00 0.00 N ATOM 1065 CA GLY A 80 4.813 11.614 -5.241 1.00 0.00 C ATOM 1066 C GLY A 80 6.282 11.762 -5.578 1.00 0.00 C ATOM 1067 O GLY A 80 6.704 11.433 -6.688 1.00 0.00 O ATOM 0 H GLY A 80 4.864 11.378 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.514 10.577 -5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.227 12.222 -5.930 1.00 0.00 H new ATOM 1071 N THR A 81 7.064 12.280 -4.643 1.00 0.00 N ATOM 1072 CA THR A 81 8.490 12.451 -4.869 1.00 0.00 C ATOM 1073 C THR A 81 9.228 11.119 -4.734 1.00 0.00 C ATOM 1074 O THR A 81 9.015 10.370 -3.783 1.00 0.00 O ATOM 1075 CB THR A 81 9.086 13.484 -3.891 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.447 14.751 -4.084 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.592 13.635 -4.087 1.00 0.00 C ATOM 0 H THR A 81 6.738 12.587 -3.727 1.00 0.00 H new ATOM 0 HA THR A 81 8.619 12.821 -5.886 1.00 0.00 H new ATOM 0 HB THR A 81 8.912 13.129 -2.875 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.476 14.644 -4.001 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.979 14.371 -3.382 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.079 12.675 -3.914 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.795 13.967 -5.105 1.00 0.00 H new ATOM 1085 N ARG A 82 10.082 10.821 -5.705 1.00 0.00 N ATOM 1086 CA ARG A 82 10.856 9.587 -5.697 1.00 0.00 C ATOM 1087 C ARG A 82 11.995 9.674 -4.686 1.00 0.00 C ATOM 1088 O ARG A 82 12.793 10.611 -4.723 1.00 0.00 O ATOM 1089 CB ARG A 82 11.426 9.307 -7.091 1.00 0.00 C ATOM 1090 CG ARG A 82 12.163 7.981 -7.190 1.00 0.00 C ATOM 1091 CD ARG A 82 13.023 7.909 -8.440 1.00 0.00 C ATOM 1092 NE ARG A 82 13.696 6.617 -8.562 1.00 0.00 N ATOM 1093 CZ ARG A 82 14.981 6.399 -8.268 1.00 0.00 C ATOM 1094 NH1 ARG A 82 15.753 7.391 -7.834 1.00 0.00 N ATOM 1095 NH2 ARG A 82 15.495 5.185 -8.410 1.00 0.00 N ATOM 0 H ARG A 82 10.256 11.421 -6.512 1.00 0.00 H new ATOM 0 HA ARG A 82 10.192 8.771 -5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.612 9.316 -7.816 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.106 10.113 -7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.790 7.846 -6.309 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.442 7.163 -7.196 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.402 8.080 -9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.767 8.705 -8.416 1.00 0.00 H new ATOM 0 HE ARG A 82 13.145 5.826 -8.895 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.365 8.328 -7.723 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.733 7.215 -7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.910 4.419 -8.743 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.476 5.017 -8.186 1.00 0.00 H new ATOM 1109 N TRP A 83 12.071 8.698 -3.787 1.00 0.00 N ATOM 1110 CA TRP A 83 13.124 8.675 -2.784 1.00 0.00 C ATOM 1111 C TRP A 83 14.249 7.737 -3.218 1.00 0.00 C ATOM 1112 O TRP A 83 15.381 7.841 -2.744 1.00 0.00 O ATOM 1113 CB TRP A 83 12.572 8.244 -1.417 1.00 0.00 C ATOM 1114 CG TRP A 83 13.485 8.580 -0.274 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.222 7.706 0.472 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.758 9.883 0.251 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.940 8.385 1.426 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.668 9.724 1.312 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.320 11.168 -0.073 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 15.148 10.802 2.052 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.799 12.240 0.661 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.702 12.051 1.713 1.00 0.00 C ATOM 0 H TRP A 83 11.418 7.916 -3.734 1.00 0.00 H new ATOM 0 HA TRP A 83 13.523 9.685 -2.688 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.607 8.724 -1.255 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.395 7.168 -1.427 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.238 6.635 0.332 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.571 7.963 2.107 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.621 11.323 -0.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.846 10.658 2.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 13.470 13.239 0.417 1.00 0.00 H new ATOM 0 HH2 TRP A 83 15.054 12.908 2.269 1.00 0.00 H new ATOM 1133 N GLY A 84 13.937 6.820 -4.126 1.00 0.00 N ATOM 1134 CA GLY A 84 14.940 5.887 -4.605 1.00 0.00 C ATOM 1135 C GLY A 84 14.338 4.558 -5.005 1.00 0.00 C ATOM 1136 O GLY A 84 13.231 4.513 -5.545 1.00 0.00 O ATOM 0 H GLY A 84 13.011 6.706 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.459 6.321 -5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.686 5.727 -3.827 1.00 0.00 H new ATOM 1140 N THR A 85 15.053 3.479 -4.730 1.00 0.00 N ATOM 1141 CA THR A 85 14.590 2.140 -5.061 1.00 0.00 C ATOM 1142 C THR A 85 14.568 1.269 -3.805 1.00 0.00 C ATOM 1143 O THR A 85 15.404 1.432 -2.913 1.00 0.00 O ATOM 1144 CB THR A 85 15.497 1.485 -6.127 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.759 2.416 -7.187 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.852 0.234 -6.706 1.00 0.00 C ATOM 0 H THR A 85 15.965 3.505 -4.274 1.00 0.00 H new ATOM 0 HA THR A 85 13.582 2.223 -5.468 1.00 0.00 H new ATOM 0 HB THR A 85 16.432 1.202 -5.643 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.336 1.994 -7.858 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.514 -0.204 -7.453 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.677 -0.488 -5.908 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.902 0.497 -7.172 1.00 0.00 H new ATOM 1154 N VAL A 86 13.604 0.362 -3.724 1.00 0.00 N ATOM 1155 CA VAL A 86 13.491 -0.526 -2.579 1.00 0.00 C ATOM 1156 C VAL A 86 13.494 -1.979 -3.041 1.00 0.00 C ATOM 1157 O VAL A 86 12.737 -2.358 -3.939 1.00 0.00 O ATOM 1158 CB VAL A 86 12.209 -0.266 -1.761 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.414 -0.667 -0.311 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.764 1.187 -1.859 1.00 0.00 C ATOM 0 H VAL A 86 12.890 0.223 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 86 14.350 -0.328 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 86 11.415 -0.881 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.500 -0.477 0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.659 -1.728 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.231 -0.084 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.858 1.331 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.552 1.836 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.563 1.436 -2.901 1.00 0.00 H new ATOM 1170 N ASP A 87 14.347 -2.786 -2.434 1.00 0.00 N ATOM 1171 CA ASP A 87 14.445 -4.191 -2.792 1.00 0.00 C ATOM 1172 C ASP A 87 14.004 -5.073 -1.633 1.00 0.00 C ATOM 1173 O ASP A 87 14.563 -5.001 -0.535 1.00 0.00 O ATOM 1174 CB ASP A 87 15.874 -4.537 -3.195 1.00 0.00 C ATOM 1175 CG ASP A 87 16.022 -5.995 -3.564 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.819 -6.337 -4.747 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.330 -6.809 -2.673 1.00 0.00 O ATOM 0 H ASP A 87 14.982 -2.493 -1.691 1.00 0.00 H new ATOM 0 HA ASP A 87 13.784 -4.374 -3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.172 -3.917 -4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.550 -4.301 -2.373 1.00 0.00 H new ATOM 1182 N CYS A 88 13.000 -5.901 -1.878 1.00 0.00 N ATOM 1183 CA CYS A 88 12.484 -6.800 -0.858 1.00 0.00 C ATOM 1184 C CYS A 88 13.036 -8.212 -1.045 1.00 0.00 C ATOM 1185 O CYS A 88 12.533 -9.171 -0.463 1.00 0.00 O ATOM 1186 CB CYS A 88 10.951 -6.805 -0.865 1.00 0.00 C ATOM 1187 SG CYS A 88 10.211 -5.367 -0.021 1.00 0.00 S ATOM 0 H CYS A 88 12.525 -5.969 -2.778 1.00 0.00 H new ATOM 0 HA CYS A 88 12.817 -6.437 0.114 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.601 -6.830 -1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.597 -7.718 -0.387 1.00 0.00 H new ATOM 1192 N THR A 89 14.080 -8.336 -1.857 1.00 0.00 N ATOM 1193 CA THR A 89 14.716 -9.622 -2.077 1.00 0.00 C ATOM 1194 C THR A 89 15.643 -9.905 -0.904 1.00 0.00 C ATOM 1195 O THR A 89 15.898 -11.054 -0.538 1.00 0.00 O ATOM 1196 CB THR A 89 15.542 -9.641 -3.381 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.907 -8.840 -4.386 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.718 -11.060 -3.893 1.00 0.00 C ATOM 0 H THR A 89 14.500 -7.562 -2.371 1.00 0.00 H new ATOM 0 HA THR A 89 13.938 -10.380 -2.163 1.00 0.00 H new ATOM 0 HB THR A 89 16.526 -9.227 -3.160 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.531 -8.152 -4.699 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.303 -11.045 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.237 -11.656 -3.142 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.740 -11.499 -4.092 1.00 0.00 H new ATOM 1206 N THR A 90 16.132 -8.826 -0.313 1.00 0.00 N ATOM 1207 CA THR A 90 17.019 -8.901 0.830 1.00 0.00 C ATOM 1208 C THR A 90 16.382 -8.198 2.031 1.00 0.00 C ATOM 1209 O THR A 90 17.024 -7.980 3.060 1.00 0.00 O ATOM 1210 CB THR A 90 18.389 -8.263 0.491 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.362 -8.573 1.498 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.267 -6.754 0.344 1.00 0.00 C ATOM 0 H THR A 90 15.923 -7.874 -0.615 1.00 0.00 H new ATOM 0 HA THR A 90 17.182 -9.949 1.083 1.00 0.00 H new ATOM 0 HB THR A 90 18.719 -8.683 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.953 -8.491 2.385 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.243 -6.332 0.106 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.566 -6.522 -0.458 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.904 -6.326 1.278 1.00 0.00 H new ATOM 1220 N ALA A 91 15.097 -7.874 1.903 1.00 0.00 N ATOM 1221 CA ALA A 91 14.369 -7.185 2.964 1.00 0.00 C ATOM 1222 C ALA A 91 12.908 -7.635 3.013 1.00 0.00 C ATOM 1223 O ALA A 91 12.550 -8.659 2.431 1.00 0.00 O ATOM 1224 CB ALA A 91 14.464 -5.675 2.777 1.00 0.00 C ATOM 0 H ALA A 91 14.539 -8.078 1.074 1.00 0.00 H new ATOM 0 HA ALA A 91 14.829 -7.446 3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.916 -5.174 3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.510 -5.370 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.034 -5.400 1.814 1.00 0.00 H new ATOM 1230 N ALA A 92 12.066 -6.869 3.700 1.00 0.00 N ATOM 1231 CA ALA A 92 10.655 -7.207 3.821 1.00 0.00 C ATOM 1232 C ALA A 92 9.772 -6.087 3.281 1.00 0.00 C ATOM 1233 O ALA A 92 10.101 -4.906 3.403 1.00 0.00 O ATOM 1234 CB ALA A 92 10.304 -7.509 5.271 1.00 0.00 C ATOM 0 H ALA A 92 12.338 -6.011 4.180 1.00 0.00 H new ATOM 0 HA ALA A 92 10.470 -8.099 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.246 -7.760 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.902 -8.350 5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.513 -6.634 5.886 1.00 0.00 H new ATOM 1240 N CYS A 93 8.658 -6.474 2.680 1.00 0.00 N ATOM 1241 CA CYS A 93 7.714 -5.523 2.104 1.00 0.00 C ATOM 1242 C CYS A 93 6.473 -5.397 2.990 1.00 0.00 C ATOM 1243 O CYS A 93 6.183 -6.285 3.790 1.00 0.00 O ATOM 1244 CB CYS A 93 7.294 -5.985 0.704 1.00 0.00 C ATOM 1245 SG CYS A 93 8.289 -5.317 -0.677 1.00 0.00 S ATOM 0 H CYS A 93 8.382 -7.450 2.577 1.00 0.00 H new ATOM 0 HA CYS A 93 8.203 -4.551 2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.342 -7.073 0.670 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.252 -5.707 0.546 1.00 0.00 H new ATOM 1250 N GLN A 94 5.744 -4.296 2.844 1.00 0.00 N ATOM 1251 CA GLN A 94 4.529 -4.069 3.619 1.00 0.00 C ATOM 1252 C GLN A 94 3.435 -3.444 2.754 1.00 0.00 C ATOM 1253 O GLN A 94 3.709 -2.858 1.705 1.00 0.00 O ATOM 1254 CB GLN A 94 4.801 -3.180 4.843 1.00 0.00 C ATOM 1255 CG GLN A 94 5.871 -2.126 4.628 1.00 0.00 C ATOM 1256 CD GLN A 94 7.134 -2.429 5.412 1.00 0.00 C ATOM 1257 OE1 GLN A 94 8.074 -3.023 4.889 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.156 -2.037 6.675 1.00 0.00 N ATOM 0 H GLN A 94 5.974 -3.544 2.194 1.00 0.00 H new ATOM 0 HA GLN A 94 4.185 -5.042 3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.873 -2.685 5.130 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.096 -3.814 5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.110 -2.063 3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.485 -1.151 4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.354 -1.546 7.071 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.975 -2.225 7.253 1.00 0.00 H new ATOM 1267 N VAL A 95 2.195 -3.584 3.195 1.00 0.00 N ATOM 1268 CA VAL A 95 1.057 -3.036 2.476 1.00 0.00 C ATOM 1269 C VAL A 95 0.777 -1.608 2.927 1.00 0.00 C ATOM 1270 O VAL A 95 0.436 -1.375 4.086 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.209 -3.890 2.689 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.292 -3.486 1.703 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.114 -5.371 2.554 1.00 0.00 C ATOM 0 H VAL A 95 1.951 -4.076 4.054 1.00 0.00 H new ATOM 0 HA VAL A 95 1.310 -3.043 1.416 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.579 -3.713 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.179 -4.098 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.544 -2.436 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.931 -3.634 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.792 -5.957 2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.509 -5.568 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.858 -5.651 3.300 1.00 0.00 H new ATOM 1283 N GLY A 96 0.926 -0.661 2.012 1.00 0.00 N ATOM 1284 CA GLY A 96 0.685 0.726 2.340 1.00 0.00 C ATOM 1285 C GLY A 96 -0.705 1.169 1.952 1.00 0.00 C ATOM 1286 O GLY A 96 -1.050 1.183 0.773 1.00 0.00 O ATOM 0 H GLY A 96 1.210 -0.831 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.827 0.875 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.419 1.351 1.832 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.504 1.513 2.947 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.872 1.956 2.720 1.00 0.00 C ATOM 1292 C LEU A 97 -3.155 3.220 3.523 1.00 0.00 C ATOM 1293 O LEU A 97 -2.998 3.234 4.745 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.869 0.848 3.103 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.293 -0.300 3.948 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.190 0.099 5.415 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.140 -1.553 3.790 1.00 0.00 C ATOM 0 H LEU A 97 -1.227 1.494 3.929 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.993 2.178 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.695 1.301 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.287 0.428 2.188 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.287 -0.515 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.780 -0.731 5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.536 0.965 5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.181 0.349 5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.718 -2.356 4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.159 -1.347 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.151 -1.855 2.743 1.00 0.00 H new ATOM 1309 N SER A 98 -3.535 4.289 2.842 1.00 0.00 N ATOM 1310 CA SER A 98 -3.832 5.549 3.513 1.00 0.00 C ATOM 1311 C SER A 98 -4.922 6.324 2.774 1.00 0.00 C ATOM 1312 O SER A 98 -5.083 6.180 1.560 1.00 0.00 O ATOM 1313 CB SER A 98 -2.564 6.401 3.616 1.00 0.00 C ATOM 1314 OG SER A 98 -1.487 5.654 4.160 1.00 0.00 O ATOM 0 H SER A 98 -3.646 4.312 1.828 1.00 0.00 H new ATOM 0 HA SER A 98 -4.196 5.321 4.515 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.291 6.772 2.628 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.758 7.273 4.241 1.00 0.00 H new ATOM 0 HG SER A 98 -0.690 6.221 4.213 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.675 7.128 3.515 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.747 7.935 2.937 1.00 0.00 C ATOM 1322 C ASP A 99 -6.167 9.188 2.278 1.00 0.00 C ATOM 1323 O ASP A 99 -4.945 9.333 2.185 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.759 8.328 4.025 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.379 9.611 4.743 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.347 9.628 5.439 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -8.107 10.615 4.591 1.00 0.00 O ATOM 0 H ASP A 99 -5.563 7.240 4.523 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.260 7.345 2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.744 8.447 3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.837 7.519 4.752 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.040 10.092 1.833 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.617 11.333 1.187 1.00 0.00 C ATOM 1334 C ALA A 100 -5.698 12.152 2.093 1.00 0.00 C ATOM 1335 O ALA A 100 -4.774 12.815 1.617 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.835 12.152 0.788 1.00 0.00 C ATOM 0 H ALA A 100 -8.052 9.986 1.909 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.051 11.072 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.511 13.075 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.448 11.577 0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.420 12.391 1.676 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.955 12.113 3.397 1.00 0.00 N ATOM 1343 CA ALA A 101 -5.129 12.837 4.353 1.00 0.00 C ATOM 1344 C ALA A 101 -3.834 12.077 4.600 1.00 0.00 C ATOM 1345 O ALA A 101 -2.752 12.662 4.633 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.883 13.043 5.656 1.00 0.00 C ATOM 0 H ALA A 101 -6.725 11.590 3.813 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.887 13.816 3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.252 13.586 6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.790 13.617 5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.149 12.074 6.079 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.952 10.768 4.765 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.783 9.947 4.993 1.00 0.00 C ATOM 1354 C GLY A 102 -2.895 9.111 6.250 1.00 0.00 C ATOM 1355 O GLY A 102 -1.885 8.714 6.830 1.00 0.00 O ATOM 0 H GLY A 102 -4.837 10.260 4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.632 9.290 4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.903 10.586 5.063 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.123 8.846 6.675 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.366 8.058 7.873 1.00 0.00 C ATOM 1361 C ASN A 103 -5.296 6.891 7.571 1.00 0.00 C ATOM 1362 O ASN A 103 -5.581 6.599 6.407 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.964 8.931 8.983 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.996 9.987 9.478 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.162 9.731 10.346 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.111 11.190 8.941 1.00 0.00 N ATOM 0 H ASN A 103 -4.969 9.167 6.205 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.410 7.663 8.215 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.867 9.416 8.612 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.263 8.297 9.818 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.496 11.945 9.244 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.815 11.363 8.224 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.762 6.232 8.622 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.641 5.094 8.470 1.00 0.00 C ATOM 1375 C GLY A 104 -6.057 3.863 9.132 1.00 0.00 C ATOM 1376 O GLY A 104 -5.345 3.984 10.134 1.00 0.00 O ATOM 0 H GLY A 104 -5.542 6.471 9.589 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.613 5.320 8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.807 4.897 7.411 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.335 2.661 8.607 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.801 1.417 9.169 1.00 0.00 C ATOM 1382 C PRO A 105 -4.275 1.389 9.127 1.00 0.00 C ATOM 1383 O PRO A 105 -3.659 1.996 8.249 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.398 0.322 8.277 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.826 1.017 7.029 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.192 2.417 7.435 1.00 0.00 C ATOM 0 HA PRO A 105 -6.061 1.294 10.220 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.663 -0.454 8.062 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.242 -0.165 8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.023 1.023 6.291 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.675 0.509 6.572 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.996 3.132 6.636 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.250 2.501 7.685 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.670 0.699 10.081 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.219 0.612 10.145 1.00 0.00 C ATOM 1396 C GLU A 106 -1.683 -0.336 9.076 1.00 0.00 C ATOM 1397 O GLU A 106 -2.367 -1.284 8.672 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.778 0.143 11.531 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.475 0.770 11.993 1.00 0.00 C ATOM 1400 CD GLU A 106 0.092 0.088 13.215 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.549 0.149 14.288 1.00 0.00 O ATOM 1402 OE2 GLU A 106 1.179 -0.514 13.113 1.00 0.00 O ATOM 0 H GLU A 106 -4.159 0.193 10.819 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.810 1.605 9.959 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.561 0.377 12.252 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.668 -0.941 11.521 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.254 0.724 11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.641 1.825 12.213 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.469 -0.067 8.617 1.00 0.00 N ATOM 1410 CA GLY A 107 0.147 -0.890 7.598 1.00 0.00 C ATOM 1411 C GLY A 107 0.523 -2.265 8.112 1.00 0.00 C ATOM 1412 O GLY A 107 0.878 -2.428 9.281 1.00 0.00 O ATOM 0 H GLY A 107 0.104 0.714 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.538 -0.995 6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.039 -0.390 7.222 1.00 0.00 H new ATOM 1416 N VAL A 108 0.435 -3.258 7.238 1.00 0.00 N ATOM 1417 CA VAL A 108 0.764 -4.627 7.599 1.00 0.00 C ATOM 1418 C VAL A 108 1.941 -5.125 6.766 1.00 0.00 C ATOM 1419 O VAL A 108 1.937 -4.999 5.540 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.438 -5.574 7.391 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.167 -6.937 8.007 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.711 -4.971 7.967 1.00 0.00 C ATOM 0 H VAL A 108 0.137 -3.139 6.270 1.00 0.00 H new ATOM 0 HA VAL A 108 1.029 -4.629 8.656 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.578 -5.706 6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.028 -7.586 7.847 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.713 -7.379 7.539 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.009 -6.824 9.077 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.543 -5.657 7.808 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.581 -4.800 9.036 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.922 -4.024 7.471 1.00 0.00 H new ATOM 1432 N ALA A 109 2.943 -5.681 7.428 1.00 0.00 N ATOM 1433 CA ALA A 109 4.124 -6.183 6.745 1.00 0.00 C ATOM 1434 C ALA A 109 3.949 -7.640 6.335 1.00 0.00 C ATOM 1435 O ALA A 109 3.169 -8.377 6.940 1.00 0.00 O ATOM 1436 CB ALA A 109 5.349 -6.017 7.627 1.00 0.00 C ATOM 0 H ALA A 109 2.962 -5.796 8.441 1.00 0.00 H new ATOM 0 HA ALA A 109 4.264 -5.599 5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.227 -6.396 7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.491 -4.961 7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.209 -6.574 8.553 1.00 0.00 H new ATOM 1442 N ILE A 110 4.672 -8.046 5.298 1.00 0.00 N ATOM 1443 CA ILE A 110 4.607 -9.412 4.797 1.00 0.00 C ATOM 1444 C ILE A 110 6.003 -9.939 4.500 1.00 0.00 C ATOM 1445 O ILE A 110 6.965 -9.173 4.422 1.00 0.00 O ATOM 1446 CB ILE A 110 3.744 -9.518 3.516 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.187 -8.481 2.478 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.272 -9.339 3.849 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.482 -8.610 1.142 1.00 0.00 C ATOM 0 H ILE A 110 5.315 -7.443 4.785 1.00 0.00 H new ATOM 0 HA ILE A 110 4.141 -10.014 5.578 1.00 0.00 H new ATOM 0 HB ILE A 110 3.885 -10.512 3.091 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.008 -7.483 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.262 -8.574 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.681 -9.417 2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.961 -10.113 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.117 -8.358 4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.849 -7.842 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.681 -9.595 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.408 -8.486 1.284 1.00 0.00 H new ATOM 1461 N SER A 111 6.112 -11.247 4.346 1.00 0.00 N ATOM 1462 CA SER A 111 7.387 -11.875 4.048 1.00 0.00 C ATOM 1463 C SER A 111 7.207 -12.947 2.981 1.00 0.00 C ATOM 1464 O SER A 111 6.192 -13.649 2.966 1.00 0.00 O ATOM 1465 CB SER A 111 7.981 -12.494 5.312 1.00 0.00 C ATOM 1466 OG SER A 111 8.228 -11.505 6.301 1.00 0.00 O ATOM 0 H SER A 111 5.330 -11.897 4.423 1.00 0.00 H new ATOM 0 HA SER A 111 8.071 -11.113 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.298 -13.245 5.708 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.911 -13.007 5.067 1.00 0.00 H new ATOM 0 HG SER A 111 8.606 -11.928 7.100 1.00 0.00 H new ATOM 1472 N PHE A 112 8.183 -13.065 2.094 1.00 0.00 N ATOM 1473 CA PHE A 112 8.125 -14.054 1.027 1.00 0.00 C ATOM 1474 C PHE A 112 8.850 -15.332 1.447 1.00 0.00 C ATOM 1475 O PHE A 112 9.628 -15.327 2.404 1.00 0.00 O ATOM 1476 CB PHE A 112 8.743 -13.492 -0.260 1.00 0.00 C ATOM 1477 CG PHE A 112 8.189 -12.152 -0.661 1.00 0.00 C ATOM 1478 CD1 PHE A 112 6.863 -12.019 -1.039 1.00 0.00 C ATOM 1479 CD2 PHE A 112 8.996 -11.022 -0.655 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.349 -10.790 -1.402 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.488 -9.790 -1.022 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.163 -9.674 -1.395 1.00 0.00 C ATOM 0 H PHE A 112 9.025 -12.489 2.091 1.00 0.00 H new ATOM 0 HA PHE A 112 7.079 -14.293 0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.821 -13.405 -0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.579 -14.201 -1.071 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.222 -12.888 -1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.032 -11.107 -0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.312 -10.701 -1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.126 -8.919 -1.017 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.764 -8.712 -1.681 1.00 0.00 H new ATOM 1492 N ASN A 113 8.592 -16.420 0.732 1.00 0.00 N ATOM 1493 CA ASN A 113 9.222 -17.703 1.036 1.00 0.00 C ATOM 1494 C ASN A 113 10.571 -17.803 0.343 1.00 0.00 C ATOM 1495 O ASN A 113 11.405 -18.630 0.763 1.00 0.00 O ATOM 1496 CB ASN A 113 8.328 -18.875 0.608 1.00 0.00 C ATOM 1497 CG ASN A 113 8.106 -18.937 -0.893 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.907 -19.508 -1.638 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.003 -18.366 -1.343 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.795 -17.048 -0.627 1.00 0.00 O ATOM 0 H ASN A 113 7.952 -16.442 -0.062 1.00 0.00 H new ATOM 0 HA ASN A 113 9.366 -17.759 2.115 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.780 -19.809 0.941 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.364 -18.790 1.109 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.788 -18.387 -2.340 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.366 -17.904 -0.694 1.00 0.00 H new