USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 378 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 44 SER OG : rot -99:sc= 1.08 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= -2.39! USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= -3.39! USER MOD Set 3.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 5 SER OG : rot 21:sc= 0.695 USER MOD Single : A 9 SER OG : rot -103:sc= 0.241 USER MOD Single : A 11 TYR OH : rot 30:sc= -1.86! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.585 X(o=-0.58,f=-0.15) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -26:sc= 0.61 USER MOD Single : A 31 TYR OH : rot 130:sc= -0.0379 USER MOD Single : A 33 ASN : amide:sc= -2.37! C(o=-2.4!,f=-8.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0.04) USER MOD Single : A 39 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.2) USER MOD Single : A 45 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.68) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-2.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 7.561 1.992 -8.541 1.00 0.00 N ATOM 2 CA ALA A 3 6.644 1.320 -9.506 1.00 0.00 C ATOM 3 C ALA A 3 5.337 2.107 -9.600 1.00 0.00 C ATOM 4 O ALA A 3 4.932 2.533 -10.662 1.00 0.00 O ATOM 5 CB ALA A 3 6.350 -0.103 -9.027 1.00 0.00 C ATOM 0 HA ALA A 3 7.116 1.281 -10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.680 -0.593 -9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.282 -0.665 -8.961 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.879 -0.066 -8.045 1.00 0.00 H new ATOM 13 N VAL A 4 4.673 2.305 -8.493 1.00 0.00 N ATOM 14 CA VAL A 4 3.392 3.068 -8.523 1.00 0.00 C ATOM 15 C VAL A 4 3.647 4.502 -8.061 1.00 0.00 C ATOM 16 O VAL A 4 3.763 5.411 -8.858 1.00 0.00 O ATOM 17 CB VAL A 4 2.355 2.419 -7.593 1.00 0.00 C ATOM 18 CG1 VAL A 4 1.090 2.105 -8.390 1.00 0.00 C ATOM 19 CG2 VAL A 4 2.906 1.122 -6.990 1.00 0.00 C ATOM 0 H VAL A 4 4.961 1.973 -7.573 1.00 0.00 H new ATOM 0 HA VAL A 4 3.006 3.063 -9.542 1.00 0.00 H new ATOM 0 HB VAL A 4 2.127 3.113 -6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.352 1.644 -7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.682 3.027 -8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.332 1.419 -9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.156 0.678 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.148 0.423 -7.790 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.806 1.341 -6.416 1.00 0.00 H new ATOM 29 N SER A 5 3.730 4.708 -6.779 1.00 0.00 N ATOM 30 CA SER A 5 3.972 6.081 -6.256 1.00 0.00 C ATOM 31 C SER A 5 4.874 6.006 -5.022 1.00 0.00 C ATOM 32 O SER A 5 5.048 6.974 -4.308 1.00 0.00 O ATOM 33 CB SER A 5 2.631 6.715 -5.879 1.00 0.00 C ATOM 34 OG SER A 5 2.849 7.746 -4.926 1.00 0.00 O ATOM 0 H SER A 5 3.641 3.983 -6.067 1.00 0.00 H new ATOM 0 HA SER A 5 4.461 6.687 -7.019 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.146 7.121 -6.766 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.962 5.960 -5.467 1.00 0.00 H new ATOM 0 HG SER A 5 3.781 8.045 -4.975 1.00 0.00 H new ATOM 40 N VAL A 6 5.451 4.862 -4.767 1.00 0.00 N ATOM 41 CA VAL A 6 6.344 4.716 -3.583 1.00 0.00 C ATOM 42 C VAL A 6 7.222 3.475 -3.765 1.00 0.00 C ATOM 43 O VAL A 6 6.923 2.605 -4.559 1.00 0.00 O ATOM 44 CB VAL A 6 5.493 4.552 -2.320 1.00 0.00 C ATOM 45 CG1 VAL A 6 4.914 5.907 -1.911 1.00 0.00 C ATOM 46 CG2 VAL A 6 4.349 3.576 -2.604 1.00 0.00 C ATOM 0 H VAL A 6 5.341 4.019 -5.331 1.00 0.00 H new ATOM 0 HA VAL A 6 6.972 5.602 -3.487 1.00 0.00 H new ATOM 0 HB VAL A 6 6.114 4.165 -1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.309 5.788 -1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.727 6.605 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.293 6.296 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.741 3.457 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.730 3.966 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.759 2.609 -2.895 1.00 0.00 H new ATOM 56 N ASP A 7 8.305 3.386 -3.041 1.00 0.00 N ATOM 57 CA ASP A 7 9.196 2.198 -3.182 1.00 0.00 C ATOM 58 C ASP A 7 8.755 1.105 -2.206 1.00 0.00 C ATOM 59 O ASP A 7 8.633 1.329 -1.018 1.00 0.00 O ATOM 60 CB ASP A 7 10.641 2.600 -2.878 1.00 0.00 C ATOM 61 CG ASP A 7 11.598 1.615 -3.552 1.00 0.00 C ATOM 62 OD1 ASP A 7 11.523 1.481 -4.762 1.00 0.00 O ATOM 63 OD2 ASP A 7 12.389 1.012 -2.846 1.00 0.00 O ATOM 0 H ASP A 7 8.611 4.082 -2.360 1.00 0.00 H new ATOM 0 HA ASP A 7 9.132 1.820 -4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.831 3.611 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.809 2.607 -1.801 1.00 0.00 H new ATOM 68 N CYS A 8 8.521 -0.080 -2.700 1.00 0.00 N ATOM 69 CA CYS A 8 8.091 -1.194 -1.808 1.00 0.00 C ATOM 70 C CYS A 8 9.161 -2.286 -1.813 1.00 0.00 C ATOM 71 O CYS A 8 8.869 -3.456 -1.667 1.00 0.00 O ATOM 72 CB CYS A 8 6.771 -1.772 -2.317 1.00 0.00 C ATOM 73 SG CYS A 8 5.452 -0.550 -2.094 1.00 0.00 S ATOM 0 H CYS A 8 8.609 -0.325 -3.686 1.00 0.00 H new ATOM 0 HA CYS A 8 7.956 -0.819 -0.793 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.860 -2.039 -3.370 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.529 -2.687 -1.776 1.00 0.00 H new ATOM 78 N SER A 9 10.400 -1.913 -1.982 1.00 0.00 N ATOM 79 CA SER A 9 11.489 -2.928 -1.997 1.00 0.00 C ATOM 80 C SER A 9 11.789 -3.377 -0.565 1.00 0.00 C ATOM 81 O SER A 9 12.527 -4.316 -0.340 1.00 0.00 O ATOM 82 CB SER A 9 12.746 -2.316 -2.614 1.00 0.00 C ATOM 83 OG SER A 9 13.432 -1.559 -1.628 1.00 0.00 O ATOM 0 H SER A 9 10.705 -0.948 -2.110 1.00 0.00 H new ATOM 0 HA SER A 9 11.176 -3.789 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.394 -3.102 -3.002 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.478 -1.679 -3.457 1.00 0.00 H new ATOM 0 HG SER A 9 13.270 -0.604 -1.777 1.00 0.00 H new ATOM 89 N GLU A 10 11.221 -2.715 0.406 1.00 0.00 N ATOM 90 CA GLU A 10 11.471 -3.107 1.822 1.00 0.00 C ATOM 91 C GLU A 10 10.370 -4.064 2.278 1.00 0.00 C ATOM 92 O GLU A 10 9.873 -3.975 3.383 1.00 0.00 O ATOM 93 CB GLU A 10 11.464 -1.856 2.706 1.00 0.00 C ATOM 94 CG GLU A 10 10.029 -1.341 2.850 1.00 0.00 C ATOM 95 CD GLU A 10 10.050 0.140 3.239 1.00 0.00 C ATOM 96 OE1 GLU A 10 10.448 0.942 2.411 1.00 0.00 O ATOM 97 OE2 GLU A 10 9.669 0.444 4.355 1.00 0.00 O ATOM 0 H GLU A 10 10.595 -1.920 0.280 1.00 0.00 H new ATOM 0 HA GLU A 10 12.440 -3.599 1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.878 -2.088 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.097 -1.084 2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.489 -1.473 1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.499 -1.919 3.607 1.00 0.00 H new ATOM 104 N TYR A 11 9.975 -4.971 1.428 1.00 0.00 N ATOM 105 CA TYR A 11 8.895 -5.927 1.804 1.00 0.00 C ATOM 106 C TYR A 11 9.271 -7.337 1.336 1.00 0.00 C ATOM 107 O TYR A 11 10.144 -7.497 0.508 1.00 0.00 O ATOM 108 CB TYR A 11 7.595 -5.480 1.130 1.00 0.00 C ATOM 109 CG TYR A 11 7.028 -4.303 1.887 1.00 0.00 C ATOM 110 CD1 TYR A 11 7.619 -3.040 1.759 1.00 0.00 C ATOM 111 CD2 TYR A 11 5.918 -4.473 2.725 1.00 0.00 C ATOM 112 CE1 TYR A 11 7.100 -1.948 2.464 1.00 0.00 C ATOM 113 CE2 TYR A 11 5.399 -3.380 3.431 1.00 0.00 C ATOM 114 CZ TYR A 11 5.991 -2.118 3.301 1.00 0.00 C ATOM 115 OH TYR A 11 5.484 -1.041 3.997 1.00 0.00 O ATOM 0 H TYR A 11 10.353 -5.092 0.489 1.00 0.00 H new ATOM 0 HA TYR A 11 8.764 -5.941 2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 11 7.784 -5.204 0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.877 -6.300 1.116 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.476 -2.908 1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.462 -5.447 2.827 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.555 -0.974 2.362 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.542 -3.511 4.075 1.00 0.00 H new ATOM 0 HH TYR A 11 5.645 -0.218 3.489 1.00 0.00 H new ATOM 125 N PRO A 12 8.599 -8.320 1.884 1.00 0.00 N ATOM 126 CA PRO A 12 7.538 -8.122 2.893 1.00 0.00 C ATOM 127 C PRO A 12 8.143 -7.894 4.282 1.00 0.00 C ATOM 128 O PRO A 12 9.265 -8.269 4.552 1.00 0.00 O ATOM 129 CB PRO A 12 6.760 -9.440 2.852 1.00 0.00 C ATOM 130 CG PRO A 12 7.728 -10.504 2.276 1.00 0.00 C ATOM 131 CD PRO A 12 8.840 -9.735 1.534 1.00 0.00 C ATOM 0 HA PRO A 12 6.915 -7.251 2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.422 -9.722 3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.871 -9.346 2.229 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.147 -11.118 3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.204 -11.177 1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.830 -10.061 1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.783 -9.894 0.457 1.00 0.00 H new ATOM 139 N LYS A 13 7.397 -7.285 5.163 1.00 0.00 N ATOM 140 CA LYS A 13 7.916 -7.031 6.537 1.00 0.00 C ATOM 141 C LYS A 13 7.466 -8.165 7.466 1.00 0.00 C ATOM 142 O LYS A 13 6.557 -8.902 7.144 1.00 0.00 O ATOM 143 CB LYS A 13 7.359 -5.701 7.048 1.00 0.00 C ATOM 144 CG LYS A 13 8.119 -4.542 6.401 1.00 0.00 C ATOM 145 CD LYS A 13 7.188 -3.336 6.266 1.00 0.00 C ATOM 146 CE LYS A 13 6.722 -2.897 7.656 1.00 0.00 C ATOM 147 NZ LYS A 13 7.409 -1.629 8.031 1.00 0.00 N ATOM 0 H LYS A 13 6.449 -6.952 4.990 1.00 0.00 H new ATOM 0 HA LYS A 13 9.005 -6.987 6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.297 -5.627 6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.452 -5.649 8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.987 -4.279 7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.492 -4.839 5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.706 -2.516 5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.329 -3.593 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.642 -2.753 7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.943 -3.674 8.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.093 -1.329 8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.438 -1.782 8.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.176 -0.890 7.338 1.00 0.00 H new ATOM 161 N PRO A 14 8.120 -8.266 8.597 1.00 0.00 N ATOM 162 CA PRO A 14 7.811 -9.301 9.599 1.00 0.00 C ATOM 163 C PRO A 14 6.561 -8.914 10.395 1.00 0.00 C ATOM 164 O PRO A 14 5.980 -9.721 11.090 1.00 0.00 O ATOM 165 CB PRO A 14 9.053 -9.312 10.496 1.00 0.00 C ATOM 166 CG PRO A 14 9.736 -7.936 10.315 1.00 0.00 C ATOM 167 CD PRO A 14 9.227 -7.363 8.979 1.00 0.00 C ATOM 0 HA PRO A 14 7.601 -10.277 9.161 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.778 -9.475 11.538 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.728 -10.120 10.215 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.489 -7.269 11.141 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.821 -8.041 10.303 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.882 -6.335 9.092 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.013 -7.354 8.224 1.00 0.00 H new ATOM 175 N ALA A 15 6.143 -7.681 10.294 1.00 0.00 N ATOM 176 CA ALA A 15 4.933 -7.241 11.038 1.00 0.00 C ATOM 177 C ALA A 15 4.445 -5.909 10.469 1.00 0.00 C ATOM 178 O ALA A 15 5.227 -5.092 10.023 1.00 0.00 O ATOM 179 CB ALA A 15 5.278 -7.067 12.518 1.00 0.00 C ATOM 0 H ALA A 15 6.589 -6.960 9.727 1.00 0.00 H new ATOM 0 HA ALA A 15 4.149 -7.991 10.935 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.391 -6.744 13.063 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.628 -8.016 12.924 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.061 -6.316 12.623 1.00 0.00 H new ATOM 185 N CYS A 16 3.161 -5.678 10.476 1.00 0.00 N ATOM 186 CA CYS A 16 2.638 -4.395 9.931 1.00 0.00 C ATOM 187 C CYS A 16 2.717 -3.314 11.010 1.00 0.00 C ATOM 188 O CYS A 16 2.321 -3.519 12.141 1.00 0.00 O ATOM 189 CB CYS A 16 1.185 -4.578 9.482 1.00 0.00 C ATOM 190 SG CYS A 16 0.766 -3.326 8.245 1.00 0.00 S ATOM 0 H CYS A 16 2.454 -6.320 10.834 1.00 0.00 H new ATOM 0 HA CYS A 16 3.239 -4.093 9.073 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.046 -5.576 9.065 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.516 -4.495 10.339 1.00 0.00 H new ATOM 195 N THR A 17 3.232 -2.165 10.667 1.00 0.00 N ATOM 196 CA THR A 17 3.347 -1.066 11.668 1.00 0.00 C ATOM 197 C THR A 17 1.984 -0.399 11.847 1.00 0.00 C ATOM 198 O THR A 17 1.087 -0.571 11.046 1.00 0.00 O ATOM 199 CB THR A 17 4.360 -0.028 11.180 1.00 0.00 C ATOM 200 OG1 THR A 17 4.791 -0.362 9.868 1.00 0.00 O ATOM 201 CG2 THR A 17 5.562 -0.003 12.123 1.00 0.00 C ATOM 0 H THR A 17 3.579 -1.939 9.735 1.00 0.00 H new ATOM 0 HA THR A 17 3.682 -1.478 12.620 1.00 0.00 H new ATOM 0 HB THR A 17 3.891 0.956 11.166 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.438 0.305 9.557 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.283 0.737 11.774 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.231 0.259 13.128 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.031 -0.987 12.140 1.00 0.00 H new ATOM 209 N MET A 18 1.819 0.362 12.893 1.00 0.00 N ATOM 210 CA MET A 18 0.513 1.041 13.119 1.00 0.00 C ATOM 211 C MET A 18 0.549 2.434 12.486 1.00 0.00 C ATOM 212 O MET A 18 -0.241 3.296 12.817 1.00 0.00 O ATOM 213 CB MET A 18 0.256 1.167 14.622 1.00 0.00 C ATOM 214 CG MET A 18 -0.127 -0.201 15.191 1.00 0.00 C ATOM 215 SD MET A 18 -1.901 -0.232 15.555 1.00 0.00 S ATOM 216 CE MET A 18 -2.339 -1.578 14.425 1.00 0.00 C ATOM 0 H MET A 18 2.531 0.543 13.600 1.00 0.00 H new ATOM 0 HA MET A 18 -0.286 0.456 12.664 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.147 1.545 15.124 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.542 1.886 14.806 1.00 0.00 H new ATOM 0 HG2 MET A 18 0.122 -0.986 14.477 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.444 -0.402 16.097 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.410 -1.771 14.486 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.079 -1.296 13.405 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.792 -2.479 14.703 1.00 0.00 H new ATOM 226 N GLU A 19 1.456 2.659 11.572 1.00 0.00 N ATOM 227 CA GLU A 19 1.536 3.996 10.918 1.00 0.00 C ATOM 228 C GLU A 19 0.203 4.296 10.231 1.00 0.00 C ATOM 229 O GLU A 19 -0.535 3.400 9.873 1.00 0.00 O ATOM 230 CB GLU A 19 2.659 3.990 9.878 1.00 0.00 C ATOM 231 CG GLU A 19 2.428 2.852 8.883 1.00 0.00 C ATOM 232 CD GLU A 19 3.468 2.931 7.763 1.00 0.00 C ATOM 233 OE1 GLU A 19 4.647 2.954 8.076 1.00 0.00 O ATOM 234 OE2 GLU A 19 3.069 2.964 6.611 1.00 0.00 O ATOM 0 H GLU A 19 2.143 1.976 11.252 1.00 0.00 H new ATOM 0 HA GLU A 19 1.744 4.761 11.667 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.688 4.945 9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.624 3.867 10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.499 1.891 9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.423 2.919 8.466 1.00 0.00 H new ATOM 241 N TYR A 20 -0.115 5.547 10.045 1.00 0.00 N ATOM 242 CA TYR A 20 -1.405 5.893 9.384 1.00 0.00 C ATOM 243 C TYR A 20 -1.146 6.368 7.955 1.00 0.00 C ATOM 244 O TYR A 20 -0.443 7.332 7.726 1.00 0.00 O ATOM 245 CB TYR A 20 -2.101 7.003 10.171 1.00 0.00 C ATOM 246 CG TYR A 20 -3.578 6.704 10.261 1.00 0.00 C ATOM 247 CD1 TYR A 20 -4.420 7.002 9.182 1.00 0.00 C ATOM 248 CD2 TYR A 20 -4.107 6.129 11.422 1.00 0.00 C ATOM 249 CE1 TYR A 20 -5.789 6.726 9.266 1.00 0.00 C ATOM 250 CE2 TYR A 20 -5.477 5.853 11.506 1.00 0.00 C ATOM 251 CZ TYR A 20 -6.318 6.151 10.428 1.00 0.00 C ATOM 252 OH TYR A 20 -7.669 5.879 10.509 1.00 0.00 O ATOM 0 H TYR A 20 0.460 6.343 10.321 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.042 5.009 9.358 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.673 7.079 11.170 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.943 7.964 9.683 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.012 7.445 8.285 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.458 5.898 12.254 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.438 6.957 8.434 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.885 5.410 12.403 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.871 5.481 11.381 1.00 0.00 H new ATOM 262 N ARG A 21 -1.715 5.696 6.995 1.00 0.00 N ATOM 263 CA ARG A 21 -1.517 6.098 5.575 1.00 0.00 C ATOM 264 C ARG A 21 -2.648 5.508 4.725 1.00 0.00 C ATOM 265 O ARG A 21 -2.663 4.324 4.454 1.00 0.00 O ATOM 266 CB ARG A 21 -0.172 5.566 5.078 1.00 0.00 C ATOM 267 CG ARG A 21 0.883 6.668 5.188 1.00 0.00 C ATOM 268 CD ARG A 21 0.455 7.872 4.345 1.00 0.00 C ATOM 269 NE ARG A 21 0.311 9.069 5.221 1.00 0.00 N ATOM 270 CZ ARG A 21 0.545 10.260 4.740 1.00 0.00 C ATOM 271 NH1 ARG A 21 0.232 10.536 3.504 1.00 0.00 N ATOM 272 NH2 ARG A 21 1.092 11.174 5.493 1.00 0.00 N ATOM 0 H ARG A 21 -2.312 4.881 7.133 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.526 7.185 5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.129 4.700 5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.260 5.233 4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.006 6.965 6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.849 6.296 4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.193 8.065 3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.489 7.660 3.843 1.00 0.00 H new ATOM 0 HE ARG A 21 0.030 8.958 6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.195 9.822 2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.414 11.466 3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.338 10.959 6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.274 12.104 5.115 1.00 0.00 H new ATOM 286 N PRO A 22 -3.571 6.345 4.331 1.00 0.00 N ATOM 287 CA PRO A 22 -4.719 5.914 3.517 1.00 0.00 C ATOM 288 C PRO A 22 -4.296 5.700 2.062 1.00 0.00 C ATOM 289 O PRO A 22 -4.036 6.640 1.338 1.00 0.00 O ATOM 290 CB PRO A 22 -5.703 7.080 3.636 1.00 0.00 C ATOM 291 CG PRO A 22 -4.864 8.320 4.028 1.00 0.00 C ATOM 292 CD PRO A 22 -3.562 7.788 4.652 1.00 0.00 C ATOM 0 HA PRO A 22 -5.147 4.968 3.848 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.225 7.246 2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.463 6.872 4.389 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.652 8.937 3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.406 8.947 4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.687 8.284 4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.538 7.957 5.729 1.00 0.00 H new ATOM 300 N LEU A 23 -4.233 4.470 1.627 1.00 0.00 N ATOM 301 CA LEU A 23 -3.839 4.201 0.216 1.00 0.00 C ATOM 302 C LEU A 23 -4.989 3.496 -0.495 1.00 0.00 C ATOM 303 O LEU A 23 -5.305 2.362 -0.200 1.00 0.00 O ATOM 304 CB LEU A 23 -2.607 3.292 0.174 1.00 0.00 C ATOM 305 CG LEU A 23 -1.357 4.100 0.523 1.00 0.00 C ATOM 306 CD1 LEU A 23 -0.385 3.219 1.312 1.00 0.00 C ATOM 307 CD2 LEU A 23 -0.679 4.573 -0.763 1.00 0.00 C ATOM 0 H LEU A 23 -4.437 3.642 2.187 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.607 5.147 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.727 2.468 0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.502 2.852 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.640 4.963 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.507 3.794 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.865 2.878 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.103 2.357 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.212 5.149 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.396 3.709 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.369 5.199 -1.329 1.00 0.00 H new ATOM 319 N CYS A 24 -5.613 4.141 -1.438 1.00 0.00 N ATOM 320 CA CYS A 24 -6.725 3.468 -2.154 1.00 0.00 C ATOM 321 C CYS A 24 -6.138 2.706 -3.338 1.00 0.00 C ATOM 322 O CYS A 24 -5.866 3.275 -4.368 1.00 0.00 O ATOM 323 CB CYS A 24 -7.737 4.498 -2.657 1.00 0.00 C ATOM 324 SG CYS A 24 -9.252 4.341 -1.687 1.00 0.00 S ATOM 0 H CYS A 24 -5.404 5.093 -1.740 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.239 2.785 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.330 5.505 -2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.947 4.337 -3.714 1.00 0.00 H new ATOM 329 N GLY A 25 -5.918 1.426 -3.180 1.00 0.00 N ATOM 330 CA GLY A 25 -5.322 0.615 -4.284 1.00 0.00 C ATOM 331 C GLY A 25 -6.035 0.905 -5.606 1.00 0.00 C ATOM 332 O GLY A 25 -7.204 1.235 -5.636 1.00 0.00 O ATOM 0 H GLY A 25 -6.127 0.905 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.260 0.843 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.400 -0.446 -4.047 1.00 0.00 H new ATOM 336 N SER A 26 -5.339 0.762 -6.708 1.00 0.00 N ATOM 337 CA SER A 26 -5.974 1.016 -8.034 1.00 0.00 C ATOM 338 C SER A 26 -7.141 0.051 -8.238 1.00 0.00 C ATOM 339 O SER A 26 -7.928 0.197 -9.153 1.00 0.00 O ATOM 340 CB SER A 26 -4.940 0.806 -9.137 1.00 0.00 C ATOM 341 OG SER A 26 -5.295 1.588 -10.270 1.00 0.00 O ATOM 0 H SER A 26 -4.359 0.480 -6.744 1.00 0.00 H new ATOM 0 HA SER A 26 -6.344 2.041 -8.070 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.949 1.089 -8.781 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.891 -0.248 -9.409 1.00 0.00 H new ATOM 0 HG SER A 26 -4.632 1.456 -10.979 1.00 0.00 H new ATOM 347 N ASP A 27 -7.260 -0.934 -7.392 1.00 0.00 N ATOM 348 CA ASP A 27 -8.375 -1.910 -7.533 1.00 0.00 C ATOM 349 C ASP A 27 -9.614 -1.374 -6.812 1.00 0.00 C ATOM 350 O ASP A 27 -10.542 -2.105 -6.527 1.00 0.00 O ATOM 351 CB ASP A 27 -7.955 -3.244 -6.914 1.00 0.00 C ATOM 352 CG ASP A 27 -7.900 -3.108 -5.393 1.00 0.00 C ATOM 353 OD1 ASP A 27 -7.967 -1.988 -4.913 1.00 0.00 O ATOM 354 OD2 ASP A 27 -7.793 -4.127 -4.730 1.00 0.00 O ATOM 0 H ASP A 27 -6.631 -1.105 -6.607 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.608 -2.055 -8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.662 -4.025 -7.194 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.980 -3.544 -7.298 1.00 0.00 H new ATOM 359 N ASN A 28 -9.637 -0.103 -6.512 1.00 0.00 N ATOM 360 CA ASN A 28 -10.815 0.477 -5.810 1.00 0.00 C ATOM 361 C ASN A 28 -10.873 -0.061 -4.383 1.00 0.00 C ATOM 362 O ASN A 28 -11.933 -0.298 -3.839 1.00 0.00 O ATOM 363 CB ASN A 28 -12.096 0.088 -6.552 1.00 0.00 C ATOM 364 CG ASN A 28 -12.961 1.331 -6.760 1.00 0.00 C ATOM 365 OD1 ASN A 28 -14.158 1.293 -6.557 1.00 0.00 O ATOM 366 ND2 ASN A 28 -12.403 2.443 -7.156 1.00 0.00 N ATOM 0 H ASN A 28 -8.890 0.558 -6.724 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.724 1.563 -5.787 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.850 -0.362 -7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.647 -0.660 -5.982 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.972 3.278 -7.294 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.398 2.477 -7.327 1.00 0.00 H new ATOM 373 N LYS A 29 -9.739 -0.254 -3.768 1.00 0.00 N ATOM 374 CA LYS A 29 -9.733 -0.776 -2.374 1.00 0.00 C ATOM 375 C LYS A 29 -9.003 0.217 -1.470 1.00 0.00 C ATOM 376 O LYS A 29 -8.251 1.048 -1.932 1.00 0.00 O ATOM 377 CB LYS A 29 -9.015 -2.126 -2.336 1.00 0.00 C ATOM 378 CG LYS A 29 -9.305 -2.815 -1.003 1.00 0.00 C ATOM 379 CD LYS A 29 -9.541 -4.308 -1.235 1.00 0.00 C ATOM 380 CE LYS A 29 -10.647 -4.803 -0.299 1.00 0.00 C ATOM 381 NZ LYS A 29 -11.936 -4.867 -1.044 1.00 0.00 N ATOM 0 H LYS A 29 -8.819 -0.073 -4.170 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.758 -0.904 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.350 -2.752 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.941 -1.983 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.469 -2.671 -0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.181 -2.367 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.822 -4.485 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.621 -4.865 -1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.392 -5.787 0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.742 -4.133 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.688 -5.203 -0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.180 -3.920 -1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.841 -5.523 -1.846 1.00 0.00 H new ATOM 395 N THR A 30 -9.220 0.138 -0.186 1.00 0.00 N ATOM 396 CA THR A 30 -8.534 1.081 0.745 1.00 0.00 C ATOM 397 C THR A 30 -7.480 0.320 1.553 1.00 0.00 C ATOM 398 O THR A 30 -7.651 -0.839 1.878 1.00 0.00 O ATOM 399 CB THR A 30 -9.563 1.708 1.691 1.00 0.00 C ATOM 400 OG1 THR A 30 -10.328 2.677 0.982 1.00 0.00 O ATOM 401 CG2 THR A 30 -8.846 2.384 2.863 1.00 0.00 C ATOM 0 H THR A 30 -9.841 -0.537 0.259 1.00 0.00 H new ATOM 0 HA THR A 30 -8.048 1.871 0.173 1.00 0.00 H new ATOM 0 HB THR A 30 -10.222 0.929 2.074 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.799 3.030 0.236 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.582 2.828 3.533 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.261 1.643 3.408 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.184 3.163 2.484 1.00 0.00 H new ATOM 409 N TYR A 31 -6.387 0.958 1.872 1.00 0.00 N ATOM 410 CA TYR A 31 -5.323 0.276 2.648 1.00 0.00 C ATOM 411 C TYR A 31 -5.065 1.038 3.945 1.00 0.00 C ATOM 412 O TYR A 31 -5.343 2.217 4.054 1.00 0.00 O ATOM 413 CB TYR A 31 -4.056 0.234 1.806 1.00 0.00 C ATOM 414 CG TYR A 31 -4.155 -0.913 0.831 1.00 0.00 C ATOM 415 CD1 TYR A 31 -4.534 -2.183 1.280 1.00 0.00 C ATOM 416 CD2 TYR A 31 -3.882 -0.703 -0.524 1.00 0.00 C ATOM 417 CE1 TYR A 31 -4.636 -3.244 0.374 1.00 0.00 C ATOM 418 CE2 TYR A 31 -3.986 -1.762 -1.431 1.00 0.00 C ATOM 419 CZ TYR A 31 -4.363 -3.034 -0.982 1.00 0.00 C ATOM 420 OH TYR A 31 -4.471 -4.079 -1.877 1.00 0.00 O ATOM 0 H TYR A 31 -6.188 1.928 1.625 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.633 -0.739 2.895 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.928 1.174 1.270 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.182 0.111 2.446 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.748 -2.344 2.326 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.591 0.278 -0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.925 -4.225 0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.776 -1.599 -2.478 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.016 -3.799 -2.642 1.00 0.00 H new ATOM 430 N GLY A 32 -4.548 0.368 4.935 1.00 0.00 N ATOM 431 CA GLY A 32 -4.286 1.041 6.235 1.00 0.00 C ATOM 432 C GLY A 32 -2.983 1.836 6.163 1.00 0.00 C ATOM 433 O GLY A 32 -2.792 2.785 6.895 1.00 0.00 O ATOM 0 H GLY A 32 -4.295 -0.619 4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.113 1.706 6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.225 0.299 7.031 1.00 0.00 H new ATOM 437 N ASN A 33 -2.078 1.462 5.299 1.00 0.00 N ATOM 438 CA ASN A 33 -0.800 2.222 5.218 1.00 0.00 C ATOM 439 C ASN A 33 0.127 1.596 4.173 1.00 0.00 C ATOM 440 O ASN A 33 -0.169 0.573 3.588 1.00 0.00 O ATOM 441 CB ASN A 33 -0.117 2.202 6.588 1.00 0.00 C ATOM 442 CG ASN A 33 -0.105 0.773 7.135 1.00 0.00 C ATOM 443 OD1 ASN A 33 -0.260 -0.175 6.393 1.00 0.00 O ATOM 444 ND2 ASN A 33 0.070 0.578 8.412 1.00 0.00 N ATOM 0 H ASN A 33 -2.166 0.676 4.656 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.013 3.250 4.924 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.903 2.578 6.503 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.643 2.862 7.278 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.077 -0.371 8.787 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.200 1.374 9.036 1.00 0.00 H new ATOM 451 N LYS A 34 1.252 2.218 3.943 1.00 0.00 N ATOM 452 CA LYS A 34 2.228 1.691 2.944 1.00 0.00 C ATOM 453 C LYS A 34 2.611 0.256 3.305 1.00 0.00 C ATOM 454 O LYS A 34 3.187 -0.457 2.513 1.00 0.00 O ATOM 455 CB LYS A 34 3.484 2.569 2.945 1.00 0.00 C ATOM 456 CG LYS A 34 3.619 3.269 1.589 1.00 0.00 C ATOM 457 CD LYS A 34 5.058 3.752 1.401 1.00 0.00 C ATOM 458 CE LYS A 34 5.463 4.634 2.584 1.00 0.00 C ATOM 459 NZ LYS A 34 6.936 4.863 2.553 1.00 0.00 N ATOM 0 H LYS A 34 1.540 3.078 4.410 1.00 0.00 H new ATOM 0 HA LYS A 34 1.773 1.705 1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.423 3.308 3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.366 1.960 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.347 2.584 0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.931 4.113 1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.731 2.898 1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.145 4.312 0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.935 5.587 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.178 4.156 3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.211 5.462 3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.431 3.950 2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.195 5.336 1.664 1.00 0.00 H new ATOM 473 N CYS A 35 2.295 -0.177 4.494 1.00 0.00 N ATOM 474 CA CYS A 35 2.631 -1.563 4.896 1.00 0.00 C ATOM 475 C CYS A 35 1.659 -2.517 4.197 1.00 0.00 C ATOM 476 O CYS A 35 2.054 -3.482 3.574 1.00 0.00 O ATOM 477 CB CYS A 35 2.485 -1.669 6.417 1.00 0.00 C ATOM 478 SG CYS A 35 2.286 -3.396 6.918 1.00 0.00 S ATOM 0 H CYS A 35 1.816 0.376 5.205 1.00 0.00 H new ATOM 0 HA CYS A 35 3.651 -1.822 4.613 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.363 -1.243 6.903 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.624 -1.087 6.747 1.00 0.00 H new ATOM 483 N ASN A 36 0.391 -2.243 4.299 1.00 0.00 N ATOM 484 CA ASN A 36 -0.624 -3.110 3.652 1.00 0.00 C ATOM 485 C ASN A 36 -0.626 -2.859 2.140 1.00 0.00 C ATOM 486 O ASN A 36 -1.213 -3.602 1.379 1.00 0.00 O ATOM 487 CB ASN A 36 -2.001 -2.764 4.220 1.00 0.00 C ATOM 488 CG ASN A 36 -2.722 -4.048 4.628 1.00 0.00 C ATOM 489 OD1 ASN A 36 -3.629 -4.491 3.950 1.00 0.00 O ATOM 490 ND2 ASN A 36 -2.359 -4.671 5.716 1.00 0.00 N ATOM 0 H ASN A 36 0.012 -1.445 4.809 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.390 -4.157 3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.895 -2.104 5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.588 -2.225 3.476 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.836 -5.528 5.996 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.598 -4.301 6.286 1.00 0.00 H new ATOM 497 N PHE A 37 0.018 -1.809 1.701 1.00 0.00 N ATOM 498 CA PHE A 37 0.044 -1.503 0.243 1.00 0.00 C ATOM 499 C PHE A 37 1.231 -2.205 -0.421 1.00 0.00 C ATOM 500 O PHE A 37 1.107 -2.797 -1.474 1.00 0.00 O ATOM 501 CB PHE A 37 0.188 0.008 0.043 1.00 0.00 C ATOM 502 CG PHE A 37 0.131 0.319 -1.435 1.00 0.00 C ATOM 503 CD1 PHE A 37 -1.027 0.036 -2.167 1.00 0.00 C ATOM 504 CD2 PHE A 37 1.242 0.883 -2.073 1.00 0.00 C ATOM 505 CE1 PHE A 37 -1.078 0.319 -3.536 1.00 0.00 C ATOM 506 CE2 PHE A 37 1.193 1.165 -3.444 1.00 0.00 C ATOM 507 CZ PHE A 37 0.034 0.882 -4.174 1.00 0.00 C ATOM 0 H PHE A 37 0.527 -1.151 2.291 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.884 -1.855 -0.208 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.608 0.534 0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.132 0.355 0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.883 -0.402 -1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.137 1.101 -1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.974 0.104 -4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.049 1.601 -3.937 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.003 1.098 -5.232 1.00 0.00 H new ATOM 517 N CYS A 38 2.382 -2.131 0.182 1.00 0.00 N ATOM 518 CA CYS A 38 3.582 -2.780 -0.412 1.00 0.00 C ATOM 519 C CYS A 38 3.473 -4.294 -0.260 1.00 0.00 C ATOM 520 O CYS A 38 3.931 -5.045 -1.098 1.00 0.00 O ATOM 521 CB CYS A 38 4.836 -2.282 0.309 1.00 0.00 C ATOM 522 SG CYS A 38 5.119 -0.543 -0.102 1.00 0.00 S ATOM 0 H CYS A 38 2.545 -1.647 1.065 1.00 0.00 H new ATOM 0 HA CYS A 38 3.646 -2.528 -1.471 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.719 -2.397 1.387 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.698 -2.881 0.016 1.00 0.00 H new ATOM 527 N ASN A 39 2.864 -4.750 0.798 1.00 0.00 N ATOM 528 CA ASN A 39 2.722 -6.219 0.989 1.00 0.00 C ATOM 529 C ASN A 39 1.674 -6.734 0.018 1.00 0.00 C ATOM 530 O ASN A 39 1.867 -7.729 -0.653 1.00 0.00 O ATOM 531 CB ASN A 39 2.290 -6.513 2.428 1.00 0.00 C ATOM 532 CG ASN A 39 3.526 -6.781 3.288 1.00 0.00 C ATOM 533 OD1 ASN A 39 4.319 -7.648 2.981 1.00 0.00 O ATOM 534 ND2 ASN A 39 3.725 -6.066 4.363 1.00 0.00 N ATOM 0 H ASN A 39 2.460 -4.172 1.535 1.00 0.00 H new ATOM 0 HA ASN A 39 3.675 -6.714 0.802 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.730 -5.669 2.830 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.625 -7.376 2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.546 -6.236 4.944 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.059 -5.338 4.621 1.00 0.00 H new ATOM 541 N ALA A 40 0.574 -6.049 -0.092 1.00 0.00 N ATOM 542 CA ALA A 40 -0.465 -6.491 -1.053 1.00 0.00 C ATOM 543 C ALA A 40 0.162 -6.459 -2.443 1.00 0.00 C ATOM 544 O ALA A 40 -0.237 -7.171 -3.344 1.00 0.00 O ATOM 545 CB ALA A 40 -1.663 -5.543 -1.001 1.00 0.00 C ATOM 0 H ALA A 40 0.351 -5.207 0.439 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.815 -7.494 -0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.421 -5.875 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.083 -5.542 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.341 -4.535 -1.261 1.00 0.00 H new ATOM 551 N VAL A 41 1.165 -5.637 -2.607 1.00 0.00 N ATOM 552 CA VAL A 41 1.856 -5.546 -3.919 1.00 0.00 C ATOM 553 C VAL A 41 2.830 -6.717 -4.047 1.00 0.00 C ATOM 554 O VAL A 41 3.071 -7.220 -5.127 1.00 0.00 O ATOM 555 CB VAL A 41 2.634 -4.232 -3.999 1.00 0.00 C ATOM 556 CG1 VAL A 41 3.561 -4.261 -5.217 1.00 0.00 C ATOM 557 CG2 VAL A 41 1.652 -3.065 -4.135 1.00 0.00 C ATOM 0 H VAL A 41 1.535 -5.023 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 41 1.122 -5.580 -4.724 1.00 0.00 H new ATOM 0 HB VAL A 41 3.227 -4.106 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.116 -3.324 -5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.260 -5.092 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.968 -4.387 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.206 -2.128 -4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.059 -3.192 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.991 -3.043 -3.269 1.00 0.00 H new ATOM 567 N VAL A 42 3.390 -7.160 -2.953 1.00 0.00 N ATOM 568 CA VAL A 42 4.341 -8.303 -3.025 1.00 0.00 C ATOM 569 C VAL A 42 3.567 -9.561 -3.419 1.00 0.00 C ATOM 570 O VAL A 42 4.096 -10.463 -4.038 1.00 0.00 O ATOM 571 CB VAL A 42 5.000 -8.517 -1.662 1.00 0.00 C ATOM 572 CG1 VAL A 42 5.810 -9.814 -1.689 1.00 0.00 C ATOM 573 CG2 VAL A 42 5.932 -7.342 -1.354 1.00 0.00 C ATOM 0 H VAL A 42 3.231 -6.782 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 42 5.114 -8.092 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 42 4.231 -8.582 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.281 -9.969 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.148 -10.652 -1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.579 -9.747 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.401 -7.495 -0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.702 -7.277 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.357 -6.416 -1.337 1.00 0.00 H new ATOM 583 N GLU A 43 2.312 -9.622 -3.069 1.00 0.00 N ATOM 584 CA GLU A 43 1.492 -10.813 -3.425 1.00 0.00 C ATOM 585 C GLU A 43 1.036 -10.688 -4.880 1.00 0.00 C ATOM 586 O GLU A 43 0.801 -11.669 -5.556 1.00 0.00 O ATOM 587 CB GLU A 43 0.269 -10.888 -2.507 1.00 0.00 C ATOM 588 CG GLU A 43 -0.595 -9.638 -2.697 1.00 0.00 C ATOM 589 CD GLU A 43 -2.055 -9.976 -2.391 1.00 0.00 C ATOM 590 OE1 GLU A 43 -2.318 -11.115 -2.040 1.00 0.00 O ATOM 591 OE2 GLU A 43 -2.886 -9.092 -2.513 1.00 0.00 O ATOM 0 H GLU A 43 1.818 -8.896 -2.550 1.00 0.00 H new ATOM 0 HA GLU A 43 2.086 -11.719 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.313 -11.782 -2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.587 -10.968 -1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.250 -8.841 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.502 -9.271 -3.719 1.00 0.00 H new ATOM 598 N SER A 44 0.916 -9.482 -5.365 1.00 0.00 N ATOM 599 CA SER A 44 0.481 -9.284 -6.776 1.00 0.00 C ATOM 600 C SER A 44 1.713 -9.228 -7.684 1.00 0.00 C ATOM 601 O SER A 44 1.603 -9.136 -8.890 1.00 0.00 O ATOM 602 CB SER A 44 -0.293 -7.972 -6.887 1.00 0.00 C ATOM 603 OG SER A 44 -1.674 -8.247 -7.101 1.00 0.00 O ATOM 0 H SER A 44 1.101 -8.625 -4.844 1.00 0.00 H new ATOM 0 HA SER A 44 -0.159 -10.112 -7.082 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.166 -7.385 -5.977 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.101 -7.375 -7.709 1.00 0.00 H new ATOM 0 HG SER A 44 -1.881 -8.161 -8.055 1.00 0.00 H new ATOM 609 N ASN A 45 2.885 -9.282 -7.112 1.00 0.00 N ATOM 610 CA ASN A 45 4.121 -9.233 -7.940 1.00 0.00 C ATOM 611 C ASN A 45 4.206 -7.881 -8.652 1.00 0.00 C ATOM 612 O ASN A 45 4.944 -7.716 -9.603 1.00 0.00 O ATOM 613 CB ASN A 45 4.083 -10.357 -8.974 1.00 0.00 C ATOM 614 CG ASN A 45 5.227 -11.338 -8.705 1.00 0.00 C ATOM 615 OD1 ASN A 45 5.561 -11.603 -7.567 1.00 0.00 O ATOM 616 ND2 ASN A 45 5.847 -11.892 -9.712 1.00 0.00 N ATOM 0 H ASN A 45 3.039 -9.358 -6.107 1.00 0.00 H new ATOM 0 HA ASN A 45 4.994 -9.358 -7.300 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.126 -10.876 -8.927 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.173 -9.944 -9.979 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.611 -12.547 -9.543 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.567 -11.670 -10.668 1.00 0.00 H new ATOM 623 N GLY A 46 3.460 -6.911 -8.197 1.00 0.00 N ATOM 624 CA GLY A 46 3.506 -5.571 -8.848 1.00 0.00 C ATOM 625 C GLY A 46 2.259 -5.368 -9.715 1.00 0.00 C ATOM 626 O GLY A 46 2.159 -4.408 -10.453 1.00 0.00 O ATOM 0 H GLY A 46 2.822 -6.988 -7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.563 -4.790 -8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.403 -5.486 -9.461 1.00 0.00 H new ATOM 630 N THR A 47 1.308 -6.261 -9.636 1.00 0.00 N ATOM 631 CA THR A 47 0.076 -6.103 -10.464 1.00 0.00 C ATOM 632 C THR A 47 -0.916 -5.195 -9.732 1.00 0.00 C ATOM 633 O THR A 47 -1.819 -4.638 -10.325 1.00 0.00 O ATOM 634 CB THR A 47 -0.570 -7.474 -10.702 1.00 0.00 C ATOM 635 OG1 THR A 47 -0.838 -8.095 -9.454 1.00 0.00 O ATOM 636 CG2 THR A 47 0.378 -8.353 -11.517 1.00 0.00 C ATOM 0 H THR A 47 1.330 -7.087 -9.039 1.00 0.00 H new ATOM 0 HA THR A 47 0.342 -5.659 -11.423 1.00 0.00 H new ATOM 0 HB THR A 47 -1.503 -7.344 -11.250 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.252 -8.970 -9.606 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.083 -9.327 -11.685 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.581 -7.877 -12.476 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.313 -8.483 -10.972 1.00 0.00 H new ATOM 644 N LEU A 48 -0.751 -5.038 -8.446 1.00 0.00 N ATOM 645 CA LEU A 48 -1.676 -4.164 -7.668 1.00 0.00 C ATOM 646 C LEU A 48 -1.062 -2.772 -7.538 1.00 0.00 C ATOM 647 O LEU A 48 -0.089 -2.572 -6.838 1.00 0.00 O ATOM 648 CB LEU A 48 -1.892 -4.765 -6.278 1.00 0.00 C ATOM 649 CG LEU A 48 -2.730 -3.810 -5.431 1.00 0.00 C ATOM 650 CD1 LEU A 48 -4.177 -4.301 -5.386 1.00 0.00 C ATOM 651 CD2 LEU A 48 -2.163 -3.760 -4.011 1.00 0.00 C ATOM 0 H LEU A 48 -0.012 -5.479 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.635 -4.091 -8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.394 -5.729 -6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.931 -4.947 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.700 -2.813 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.774 -3.619 -4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.581 -4.337 -6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.209 -5.298 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.760 -3.079 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.193 -4.757 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.132 -3.408 -4.043 1.00 0.00 H new ATOM 663 N THR A 49 -1.629 -1.810 -8.207 1.00 0.00 N ATOM 664 CA THR A 49 -1.090 -0.427 -8.128 1.00 0.00 C ATOM 665 C THR A 49 -1.919 0.377 -7.127 1.00 0.00 C ATOM 666 O THR A 49 -2.491 -0.166 -6.203 1.00 0.00 O ATOM 667 CB THR A 49 -1.158 0.219 -9.518 1.00 0.00 C ATOM 668 OG1 THR A 49 -2.503 0.220 -9.975 1.00 0.00 O ATOM 669 CG2 THR A 49 -0.291 -0.576 -10.495 1.00 0.00 C ATOM 0 H THR A 49 -2.446 -1.923 -8.807 1.00 0.00 H new ATOM 0 HA THR A 49 -0.052 -0.445 -7.796 1.00 0.00 H new ATOM 0 HB THR A 49 -0.792 1.244 -9.458 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.547 0.634 -10.862 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.340 -0.116 -11.482 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.742 -0.578 -10.146 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.656 -1.601 -10.554 1.00 0.00 H new ATOM 677 N LEU A 50 -1.983 1.663 -7.302 1.00 0.00 N ATOM 678 CA LEU A 50 -2.766 2.518 -6.370 1.00 0.00 C ATOM 679 C LEU A 50 -3.540 3.561 -7.186 1.00 0.00 C ATOM 680 O LEU A 50 -3.000 4.208 -8.059 1.00 0.00 O ATOM 681 CB LEU A 50 -1.810 3.227 -5.409 1.00 0.00 C ATOM 682 CG LEU A 50 -2.506 4.441 -4.797 1.00 0.00 C ATOM 683 CD1 LEU A 50 -2.314 4.433 -3.281 1.00 0.00 C ATOM 684 CD2 LEU A 50 -1.902 5.714 -5.387 1.00 0.00 C ATOM 0 H LEU A 50 -1.521 2.166 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.463 1.905 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.494 2.542 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.911 3.540 -5.939 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.572 4.405 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.811 5.300 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.744 3.522 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.250 4.471 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.394 6.585 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.836 5.750 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.044 5.717 -6.468 1.00 0.00 H new ATOM 696 N SER A 51 -4.801 3.725 -6.904 1.00 0.00 N ATOM 697 CA SER A 51 -5.616 4.718 -7.655 1.00 0.00 C ATOM 698 C SER A 51 -5.357 6.134 -7.131 1.00 0.00 C ATOM 699 O SER A 51 -5.421 7.092 -7.873 1.00 0.00 O ATOM 700 CB SER A 51 -7.099 4.388 -7.487 1.00 0.00 C ATOM 701 OG SER A 51 -7.756 4.536 -8.738 1.00 0.00 O ATOM 0 H SER A 51 -5.305 3.211 -6.181 1.00 0.00 H new ATOM 0 HA SER A 51 -5.337 4.673 -8.708 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.217 3.369 -7.119 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.549 5.049 -6.746 1.00 0.00 H new ATOM 0 HG SER A 51 -8.707 4.324 -8.635 1.00 0.00 H new ATOM 707 N HIS A 52 -5.068 6.288 -5.863 1.00 0.00 N ATOM 708 CA HIS A 52 -4.817 7.651 -5.328 1.00 0.00 C ATOM 709 C HIS A 52 -4.519 7.567 -3.829 1.00 0.00 C ATOM 710 O HIS A 52 -5.356 7.197 -3.028 1.00 0.00 O ATOM 711 CB HIS A 52 -6.045 8.546 -5.592 1.00 0.00 C ATOM 712 CG HIS A 52 -7.045 8.432 -4.470 1.00 0.00 C ATOM 713 ND1 HIS A 52 -7.943 7.379 -4.381 1.00 0.00 N ATOM 714 CD2 HIS A 52 -7.297 9.230 -3.381 1.00 0.00 C ATOM 715 CE1 HIS A 52 -8.684 7.570 -3.274 1.00 0.00 C ATOM 716 NE2 HIS A 52 -8.331 8.684 -2.628 1.00 0.00 N ATOM 0 H HIS A 52 -4.996 5.531 -5.183 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.954 8.090 -5.830 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.728 9.583 -5.698 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.514 8.259 -6.533 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.772 10.144 -3.145 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.469 6.903 -2.948 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.733 9.055 -1.767 1.00 0.00 H new ATOM 724 N PHE A 53 -3.324 7.907 -3.453 1.00 0.00 N ATOM 725 CA PHE A 53 -2.938 7.862 -2.014 1.00 0.00 C ATOM 726 C PHE A 53 -4.060 8.473 -1.170 1.00 0.00 C ATOM 727 O PHE A 53 -4.103 9.668 -0.952 1.00 0.00 O ATOM 728 CB PHE A 53 -1.658 8.679 -1.812 1.00 0.00 C ATOM 729 CG PHE A 53 -0.460 7.761 -1.828 1.00 0.00 C ATOM 730 CD1 PHE A 53 -0.185 6.993 -2.964 1.00 0.00 C ATOM 731 CD2 PHE A 53 0.378 7.678 -0.709 1.00 0.00 C ATOM 732 CE1 PHE A 53 0.924 6.138 -2.983 1.00 0.00 C ATOM 733 CE2 PHE A 53 1.489 6.824 -0.727 1.00 0.00 C ATOM 734 CZ PHE A 53 1.760 6.055 -1.865 1.00 0.00 C ATOM 0 H PHE A 53 -2.587 8.218 -4.085 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.770 6.829 -1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.565 9.428 -2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.704 9.216 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.829 7.059 -3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.168 8.272 0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.133 5.543 -3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.135 6.759 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.616 5.397 -1.880 1.00 0.00 H new ATOM 744 N GLY A 54 -4.968 7.667 -0.692 1.00 0.00 N ATOM 745 CA GLY A 54 -6.080 8.213 0.136 1.00 0.00 C ATOM 746 C GLY A 54 -7.228 7.205 0.182 1.00 0.00 C ATOM 747 O GLY A 54 -7.296 6.288 -0.611 1.00 0.00 O ATOM 0 H GLY A 54 -4.988 6.658 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.726 8.423 1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.428 9.157 -0.282 1.00 0.00 H new ATOM 751 N LYS A 55 -8.135 7.369 1.105 1.00 0.00 N ATOM 752 CA LYS A 55 -9.280 6.424 1.202 1.00 0.00 C ATOM 753 C LYS A 55 -10.218 6.659 0.015 1.00 0.00 C ATOM 754 O LYS A 55 -10.094 7.632 -0.703 1.00 0.00 O ATOM 755 CB LYS A 55 -10.029 6.676 2.520 1.00 0.00 C ATOM 756 CG LYS A 55 -11.443 6.090 2.447 1.00 0.00 C ATOM 757 CD LYS A 55 -12.170 6.344 3.768 1.00 0.00 C ATOM 758 CE LYS A 55 -13.393 5.430 3.862 1.00 0.00 C ATOM 759 NZ LYS A 55 -14.609 6.253 4.120 1.00 0.00 N ATOM 0 H LYS A 55 -8.132 8.118 1.797 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.923 5.394 1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.483 6.225 3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.081 7.747 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.994 6.544 1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.395 5.020 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.499 6.158 4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.477 7.388 3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.512 4.867 2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.256 4.703 4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.441 5.632 4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.494 6.771 5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.741 6.930 3.342 1.00 0.00 H new ATOM 773 N CYS A 56 -11.147 5.772 -0.204 1.00 0.00 N ATOM 774 CA CYS A 56 -12.080 5.944 -1.351 1.00 0.00 C ATOM 775 C CYS A 56 -13.443 6.408 -0.835 1.00 0.00 C ATOM 776 O CYS A 56 -13.728 6.169 0.326 1.00 0.00 O ATOM 777 CB CYS A 56 -12.231 4.611 -2.085 1.00 0.00 C ATOM 778 SG CYS A 56 -10.737 4.291 -3.056 1.00 0.00 S ATOM 779 OXT CYS A 56 -14.180 6.997 -1.611 1.00 0.00 O ATOM 0 H CYS A 56 -11.301 4.937 0.361 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.683 6.692 -2.038 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.393 3.805 -1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.104 4.639 -2.737 1.00 0.00 H new TER 784 CYS A 56