USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 396 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 33 ASN : amide:sc= -0.278 K(o=0.076,f=-8.4!) USER MOD Set 1.2: A 36 ASN : amide:sc= 0.354 K(o=0.076,f=-0.6) USER MOD Set 2.1: A 26 SER OG : rot -48:sc= 0.232 USER MOD Set 2.2: A 51 SER OG : rot 56:sc= 0.0941 USER MOD Set 3.1: A 17 THR OG1 : rot 51:sc= 0.195 USER MOD Set 3.2: A 34 LYS NZ :NH3+ -135:sc= -0.0137 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 148:sc= -4.04! (180deg=-6.55!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -43:sc= 0.394 USER MOD Single : A 11 TYR OH : rot 31:sc= -1.77! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.75! C(o=-1.7!,f=-2.9!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -24:sc= 0.735 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -3.13 K(o=-3.1,f=-4.7!) USER MOD Single : A 44 SER OG : rot -85:sc= 0.967 USER MOD Single : A 45 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.021) USER MOD Single : A 47 THR OG1 : rot -19:sc= 0.539 USER MOD Single : A 49 THR OG1 : rot -73:sc= -1.31! USER MOD Single : A 52 HIS : no HE2:sc= -9.43! C(o=-9.4!,f=-12!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 14.903 6.308 -2.370 1.00 0.00 N ATOM 2 CA LEU A 1 15.136 7.777 -2.443 1.00 0.00 C ATOM 3 C LEU A 1 14.350 8.473 -1.330 1.00 0.00 C ATOM 4 O LEU A 1 14.135 7.917 -0.271 1.00 0.00 O ATOM 5 CB LEU A 1 14.678 8.303 -3.807 1.00 0.00 C ATOM 6 CG LEU A 1 13.155 8.200 -3.915 1.00 0.00 C ATOM 7 CD1 LEU A 1 12.667 9.067 -5.077 1.00 0.00 C ATOM 8 CD2 LEU A 1 12.759 6.744 -4.167 1.00 0.00 C ATOM 0 H1 LEU A 1 14.940 5.903 -3.327 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.638 5.869 -1.779 1.00 0.00 H new ATOM 0 H3 LEU A 1 13.968 6.125 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 1 16.199 7.983 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 1 14.992 9.339 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 1 15.148 7.729 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 1 12.701 8.546 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.582 8.994 -5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.949 10.105 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 1 13.121 8.721 -6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.674 6.670 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.213 6.399 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 1 13.107 6.124 -3.341 1.00 0.00 H new ATOM 22 N ALA A 2 13.923 9.684 -1.555 1.00 0.00 N ATOM 23 CA ALA A 2 13.156 10.411 -0.504 1.00 0.00 C ATOM 24 C ALA A 2 11.657 10.302 -0.795 1.00 0.00 C ATOM 25 O ALA A 2 11.209 9.389 -1.460 1.00 0.00 O ATOM 26 CB ALA A 2 13.567 11.883 -0.498 1.00 0.00 C ATOM 0 H ALA A 2 14.072 10.202 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 2 13.370 9.970 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.006 12.414 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.634 11.962 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 2 13.355 12.324 -1.472 1.00 0.00 H new ATOM 32 N ALA A 3 10.881 11.230 -0.305 1.00 0.00 N ATOM 33 CA ALA A 3 9.414 11.185 -0.556 1.00 0.00 C ATOM 34 C ALA A 3 8.773 10.119 0.336 1.00 0.00 C ATOM 35 O ALA A 3 9.312 9.045 0.523 1.00 0.00 O ATOM 36 CB ALA A 3 9.158 10.843 -2.026 1.00 0.00 C ATOM 0 H ALA A 3 11.201 12.018 0.259 1.00 0.00 H new ATOM 0 HA ALA A 3 8.978 12.157 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.084 10.810 -2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.612 11.604 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.595 9.871 -2.255 1.00 0.00 H new ATOM 42 N VAL A 4 7.627 10.407 0.891 1.00 0.00 N ATOM 43 CA VAL A 4 6.952 9.413 1.772 1.00 0.00 C ATOM 44 C VAL A 4 5.779 8.778 1.020 1.00 0.00 C ATOM 45 O VAL A 4 4.653 9.220 1.124 1.00 0.00 O ATOM 46 CB VAL A 4 6.427 10.115 3.025 1.00 0.00 C ATOM 47 CG1 VAL A 4 5.624 9.124 3.869 1.00 0.00 C ATOM 48 CG2 VAL A 4 7.607 10.644 3.846 1.00 0.00 C ATOM 0 H VAL A 4 7.129 11.289 0.772 1.00 0.00 H new ATOM 0 HA VAL A 4 7.665 8.640 2.058 1.00 0.00 H new ATOM 0 HB VAL A 4 5.785 10.946 2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.250 9.626 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.784 8.747 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.265 8.292 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.233 11.145 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.249 9.813 4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.179 11.352 3.246 1.00 0.00 H new ATOM 58 N SER A 5 6.033 7.744 0.265 1.00 0.00 N ATOM 59 CA SER A 5 4.929 7.087 -0.489 1.00 0.00 C ATOM 60 C SER A 5 5.443 5.796 -1.132 1.00 0.00 C ATOM 61 O SER A 5 6.583 5.707 -1.541 1.00 0.00 O ATOM 62 CB SER A 5 4.423 8.034 -1.578 1.00 0.00 C ATOM 63 OG SER A 5 5.479 8.311 -2.488 1.00 0.00 O ATOM 0 H SER A 5 6.955 7.327 0.138 1.00 0.00 H new ATOM 0 HA SER A 5 4.114 6.850 0.195 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.582 7.584 -2.105 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.060 8.960 -1.131 1.00 0.00 H new ATOM 0 HG SER A 5 5.157 8.916 -3.188 1.00 0.00 H new ATOM 69 N VAL A 6 4.611 4.792 -1.223 1.00 0.00 N ATOM 70 CA VAL A 6 5.054 3.509 -1.839 1.00 0.00 C ATOM 71 C VAL A 6 4.990 3.628 -3.363 1.00 0.00 C ATOM 72 O VAL A 6 4.364 4.521 -3.900 1.00 0.00 O ATOM 73 CB VAL A 6 4.134 2.374 -1.378 1.00 0.00 C ATOM 74 CG1 VAL A 6 4.645 1.041 -1.928 1.00 0.00 C ATOM 75 CG2 VAL A 6 4.124 2.319 0.150 1.00 0.00 C ATOM 0 H VAL A 6 3.645 4.806 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 6 6.077 3.294 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 6 3.124 2.555 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.989 0.236 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.656 1.077 -3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.655 0.859 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.470 1.512 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.135 2.139 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.759 3.267 0.546 1.00 0.00 H new ATOM 85 N ASP A 7 5.633 2.735 -4.066 1.00 0.00 N ATOM 86 CA ASP A 7 5.607 2.797 -5.555 1.00 0.00 C ATOM 87 C ASP A 7 4.647 1.732 -6.091 1.00 0.00 C ATOM 88 O ASP A 7 4.772 0.561 -5.789 1.00 0.00 O ATOM 89 CB ASP A 7 7.014 2.536 -6.101 1.00 0.00 C ATOM 90 CG ASP A 7 7.095 3.011 -7.552 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.988 4.206 -7.771 1.00 0.00 O ATOM 92 OD2 ASP A 7 7.261 2.171 -8.421 1.00 0.00 O ATOM 0 H ASP A 7 6.175 1.965 -3.673 1.00 0.00 H new ATOM 0 HA ASP A 7 5.271 3.784 -5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.754 3.059 -5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.247 1.473 -6.042 1.00 0.00 H new ATOM 97 N CYS A 8 3.687 2.125 -6.883 1.00 0.00 N ATOM 98 CA CYS A 8 2.722 1.131 -7.431 1.00 0.00 C ATOM 99 C CYS A 8 3.018 0.885 -8.912 1.00 0.00 C ATOM 100 O CYS A 8 2.131 0.604 -9.693 1.00 0.00 O ATOM 101 CB CYS A 8 1.300 1.665 -7.282 1.00 0.00 C ATOM 102 SG CYS A 8 0.681 1.247 -5.643 1.00 0.00 S ATOM 0 H CYS A 8 3.530 3.090 -7.174 1.00 0.00 H new ATOM 0 HA CYS A 8 2.821 0.195 -6.882 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.288 2.746 -7.424 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.655 1.235 -8.048 1.00 0.00 H new ATOM 107 N SER A 9 4.257 0.989 -9.309 1.00 0.00 N ATOM 108 CA SER A 9 4.602 0.759 -10.742 1.00 0.00 C ATOM 109 C SER A 9 4.850 -0.732 -10.974 1.00 0.00 C ATOM 110 O SER A 9 5.355 -1.138 -12.003 1.00 0.00 O ATOM 111 CB SER A 9 5.858 1.551 -11.099 1.00 0.00 C ATOM 112 OG SER A 9 6.024 1.557 -12.512 1.00 0.00 O ATOM 0 H SER A 9 5.045 1.223 -8.705 1.00 0.00 H new ATOM 0 HA SER A 9 3.777 1.090 -11.372 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.776 2.572 -10.727 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.731 1.106 -10.621 1.00 0.00 H new ATOM 0 HG SER A 9 5.847 0.660 -12.866 1.00 0.00 H new ATOM 118 N GLU A 10 4.492 -1.550 -10.025 1.00 0.00 N ATOM 119 CA GLU A 10 4.693 -3.018 -10.179 1.00 0.00 C ATOM 120 C GLU A 10 3.443 -3.738 -9.674 1.00 0.00 C ATOM 121 O GLU A 10 3.486 -4.882 -9.270 1.00 0.00 O ATOM 122 CB GLU A 10 5.909 -3.458 -9.359 1.00 0.00 C ATOM 123 CG GLU A 10 7.100 -2.556 -9.689 1.00 0.00 C ATOM 124 CD GLU A 10 7.179 -1.419 -8.668 1.00 0.00 C ATOM 125 OE1 GLU A 10 7.644 -1.667 -7.568 1.00 0.00 O ATOM 126 OE2 GLU A 10 6.772 -0.318 -9.003 1.00 0.00 O ATOM 0 H GLU A 10 4.066 -1.263 -9.144 1.00 0.00 H new ATOM 0 HA GLU A 10 4.865 -3.263 -11.227 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.682 -3.404 -8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.154 -4.497 -9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.023 -3.136 -9.676 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.994 -2.149 -10.695 1.00 0.00 H new ATOM 133 N TYR A 11 2.328 -3.061 -9.695 1.00 0.00 N ATOM 134 CA TYR A 11 1.063 -3.661 -9.222 1.00 0.00 C ATOM 135 C TYR A 11 0.021 -3.533 -10.345 1.00 0.00 C ATOM 136 O TYR A 11 0.198 -2.760 -11.264 1.00 0.00 O ATOM 137 CB TYR A 11 0.627 -2.905 -7.962 1.00 0.00 C ATOM 138 CG TYR A 11 1.547 -3.292 -6.827 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.285 -4.438 -6.065 1.00 0.00 C ATOM 140 CD2 TYR A 11 2.671 -2.508 -6.545 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.152 -4.795 -5.023 1.00 0.00 C ATOM 142 CE2 TYR A 11 3.532 -2.864 -5.503 1.00 0.00 C ATOM 143 CZ TYR A 11 3.274 -4.008 -4.743 1.00 0.00 C ATOM 144 OH TYR A 11 4.125 -4.362 -3.716 1.00 0.00 O ATOM 0 H TYR A 11 2.246 -2.100 -10.027 1.00 0.00 H new ATOM 0 HA TYR A 11 1.177 -4.717 -8.976 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.668 -1.829 -8.133 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.406 -3.149 -7.712 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.418 -5.045 -6.280 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.874 -1.626 -7.134 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.953 -5.679 -4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.397 -2.255 -5.285 1.00 0.00 H new ATOM 0 HH TYR A 11 4.132 -5.337 -3.619 1.00 0.00 H new ATOM 154 N PRO A 12 -1.015 -4.320 -10.252 1.00 0.00 N ATOM 155 CA PRO A 12 -1.216 -5.248 -9.135 1.00 0.00 C ATOM 156 C PRO A 12 -0.457 -6.559 -9.376 1.00 0.00 C ATOM 157 O PRO A 12 -0.115 -6.899 -10.491 1.00 0.00 O ATOM 158 CB PRO A 12 -2.734 -5.470 -9.133 1.00 0.00 C ATOM 159 CG PRO A 12 -3.234 -5.119 -10.560 1.00 0.00 C ATOM 160 CD PRO A 12 -2.081 -4.377 -11.265 1.00 0.00 C ATOM 0 HA PRO A 12 -0.845 -4.868 -8.183 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.974 -6.503 -8.881 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.217 -4.839 -8.387 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.505 -6.022 -11.108 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.126 -4.494 -10.514 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.753 -4.908 -12.159 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.384 -3.379 -11.581 1.00 0.00 H new ATOM 168 N LYS A 13 -0.186 -7.289 -8.327 1.00 0.00 N ATOM 169 CA LYS A 13 0.559 -8.573 -8.468 1.00 0.00 C ATOM 170 C LYS A 13 -0.221 -9.690 -7.766 1.00 0.00 C ATOM 171 O LYS A 13 -0.755 -9.483 -6.695 1.00 0.00 O ATOM 172 CB LYS A 13 1.928 -8.424 -7.809 1.00 0.00 C ATOM 173 CG LYS A 13 2.843 -7.589 -8.707 1.00 0.00 C ATOM 174 CD LYS A 13 4.196 -7.393 -8.017 1.00 0.00 C ATOM 175 CE LYS A 13 5.114 -8.572 -8.342 1.00 0.00 C ATOM 176 NZ LYS A 13 6.316 -8.521 -7.462 1.00 0.00 N ATOM 0 H LYS A 13 -0.451 -7.049 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 13 0.679 -8.819 -9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.824 -7.946 -6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.369 -9.406 -7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.981 -8.087 -9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.384 -6.622 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.653 -6.461 -8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.057 -7.314 -6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.582 -9.512 -8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.414 -8.535 -9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.941 -9.322 -7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.826 -7.629 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.020 -8.576 -6.467 1.00 0.00 H new ATOM 190 N PRO A 14 -0.268 -10.847 -8.386 1.00 0.00 N ATOM 191 CA PRO A 14 -0.985 -12.011 -7.830 1.00 0.00 C ATOM 192 C PRO A 14 -0.141 -12.700 -6.754 1.00 0.00 C ATOM 193 O PRO A 14 -0.429 -13.802 -6.331 1.00 0.00 O ATOM 194 CB PRO A 14 -1.195 -12.916 -9.046 1.00 0.00 C ATOM 195 CG PRO A 14 -0.126 -12.508 -10.087 1.00 0.00 C ATOM 196 CD PRO A 14 0.365 -11.101 -9.699 1.00 0.00 C ATOM 0 HA PRO A 14 -1.923 -11.748 -7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.088 -13.965 -8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.199 -12.793 -9.452 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.701 -13.218 -10.089 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.547 -12.506 -11.092 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.452 -11.063 -9.631 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.065 -10.357 -10.437 1.00 0.00 H new ATOM 204 N ALA A 15 0.891 -12.049 -6.307 1.00 0.00 N ATOM 205 CA ALA A 15 1.761 -12.639 -5.251 1.00 0.00 C ATOM 206 C ALA A 15 2.233 -11.522 -4.317 1.00 0.00 C ATOM 207 O ALA A 15 3.091 -10.734 -4.662 1.00 0.00 O ATOM 208 CB ALA A 15 2.972 -13.310 -5.901 1.00 0.00 C ATOM 0 H ALA A 15 1.174 -11.124 -6.630 1.00 0.00 H new ATOM 0 HA ALA A 15 1.202 -13.383 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.608 -13.741 -5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.634 -14.098 -6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.539 -12.570 -6.465 1.00 0.00 H new ATOM 214 N CYS A 16 1.670 -11.439 -3.141 1.00 0.00 N ATOM 215 CA CYS A 16 2.079 -10.362 -2.192 1.00 0.00 C ATOM 216 C CYS A 16 3.146 -10.887 -1.234 1.00 0.00 C ATOM 217 O CYS A 16 3.040 -11.977 -0.708 1.00 0.00 O ATOM 218 CB CYS A 16 0.861 -9.902 -1.385 1.00 0.00 C ATOM 219 SG CYS A 16 -0.295 -9.044 -2.479 1.00 0.00 S ATOM 0 H CYS A 16 0.946 -12.069 -2.797 1.00 0.00 H new ATOM 0 HA CYS A 16 2.485 -9.524 -2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.373 -10.760 -0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.175 -9.240 -0.578 1.00 0.00 H new ATOM 224 N THR A 17 4.171 -10.115 -0.991 1.00 0.00 N ATOM 225 CA THR A 17 5.234 -10.567 -0.054 1.00 0.00 C ATOM 226 C THR A 17 4.600 -10.838 1.309 1.00 0.00 C ATOM 227 O THR A 17 3.439 -10.554 1.526 1.00 0.00 O ATOM 228 CB THR A 17 6.301 -9.479 0.084 1.00 0.00 C ATOM 229 OG1 THR A 17 5.712 -8.210 -0.164 1.00 0.00 O ATOM 230 CG2 THR A 17 7.424 -9.732 -0.921 1.00 0.00 C ATOM 0 H THR A 17 4.316 -9.192 -1.401 1.00 0.00 H new ATOM 0 HA THR A 17 5.702 -11.474 -0.436 1.00 0.00 H new ATOM 0 HB THR A 17 6.713 -9.497 1.093 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.910 -8.108 0.390 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.183 -8.956 -0.821 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.873 -10.706 -0.727 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.018 -9.714 -1.932 1.00 0.00 H new ATOM 238 N LEU A 18 5.337 -11.399 2.226 1.00 0.00 N ATOM 239 CA LEU A 18 4.748 -11.692 3.555 1.00 0.00 C ATOM 240 C LEU A 18 5.109 -10.578 4.539 1.00 0.00 C ATOM 241 O LEU A 18 4.471 -10.418 5.560 1.00 0.00 O ATOM 242 CB LEU A 18 5.281 -13.025 4.098 1.00 0.00 C ATOM 243 CG LEU A 18 5.722 -13.963 2.961 1.00 0.00 C ATOM 244 CD1 LEU A 18 4.765 -13.862 1.770 1.00 0.00 C ATOM 245 CD2 LEU A 18 7.148 -13.617 2.522 1.00 0.00 C ATOM 0 H LEU A 18 6.315 -11.665 2.111 1.00 0.00 H new ATOM 0 HA LEU A 18 3.666 -11.755 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.124 -12.837 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.508 -13.512 4.693 1.00 0.00 H new ATOM 0 HG LEU A 18 5.700 -14.988 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.097 -14.534 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.760 -14.142 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.756 -12.838 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.453 -14.285 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.180 -12.586 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.827 -13.733 3.367 1.00 0.00 H new ATOM 257 N GLU A 19 6.125 -9.810 4.244 1.00 0.00 N ATOM 258 CA GLU A 19 6.519 -8.707 5.171 1.00 0.00 C ATOM 259 C GLU A 19 5.258 -8.009 5.678 1.00 0.00 C ATOM 260 O GLU A 19 4.316 -7.809 4.940 1.00 0.00 O ATOM 261 CB GLU A 19 7.399 -7.702 4.424 1.00 0.00 C ATOM 262 CG GLU A 19 8.705 -8.379 4.006 1.00 0.00 C ATOM 263 CD GLU A 19 8.773 -8.468 2.479 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.410 -7.499 1.833 1.00 0.00 O ATOM 265 OE2 GLU A 19 9.187 -9.503 1.983 1.00 0.00 O ATOM 0 H GLU A 19 6.698 -9.898 3.404 1.00 0.00 H new ATOM 0 HA GLU A 19 7.077 -9.114 6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.875 -7.326 3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.610 -6.843 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.557 -7.814 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.765 -9.377 4.441 1.00 0.00 H new ATOM 272 N TYR A 20 5.220 -7.648 6.930 1.00 0.00 N ATOM 273 CA TYR A 20 4.001 -6.978 7.465 1.00 0.00 C ATOM 274 C TYR A 20 4.225 -5.469 7.553 1.00 0.00 C ATOM 275 O TYR A 20 4.781 -4.965 8.508 1.00 0.00 O ATOM 276 CB TYR A 20 3.676 -7.521 8.857 1.00 0.00 C ATOM 277 CG TYR A 20 2.511 -6.748 9.427 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.249 -6.842 8.827 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.693 -5.933 10.550 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.170 -6.120 9.351 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.612 -5.211 11.073 1.00 0.00 C ATOM 282 CZ TYR A 20 0.351 -5.305 10.473 1.00 0.00 C ATOM 283 OH TYR A 20 -0.714 -4.593 10.988 1.00 0.00 O ATOM 0 H TYR A 20 5.974 -7.786 7.602 1.00 0.00 H new ATOM 0 HA TYR A 20 3.169 -7.180 6.791 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.432 -8.582 8.800 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.544 -7.429 9.509 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.108 -7.471 7.961 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.666 -5.861 11.013 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.803 -6.192 8.888 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.752 -4.582 11.939 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.417 -4.078 11.767 1.00 0.00 H new ATOM 293 N ARG A 21 3.775 -4.744 6.568 1.00 0.00 N ATOM 294 CA ARG A 21 3.936 -3.265 6.590 1.00 0.00 C ATOM 295 C ARG A 21 2.548 -2.628 6.495 1.00 0.00 C ATOM 296 O ARG A 21 2.018 -2.455 5.417 1.00 0.00 O ATOM 297 CB ARG A 21 4.787 -2.826 5.396 1.00 0.00 C ATOM 298 CG ARG A 21 5.962 -3.793 5.224 1.00 0.00 C ATOM 299 CD ARG A 21 7.251 -2.996 5.020 1.00 0.00 C ATOM 300 NE ARG A 21 7.544 -2.894 3.562 1.00 0.00 N ATOM 301 CZ ARG A 21 8.664 -2.358 3.158 1.00 0.00 C ATOM 302 NH1 ARG A 21 8.814 -1.062 3.186 1.00 0.00 N ATOM 303 NH2 ARG A 21 9.632 -3.119 2.725 1.00 0.00 N ATOM 0 H ARG A 21 3.300 -5.115 5.745 1.00 0.00 H new ATOM 0 HA ARG A 21 4.429 -2.953 7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.181 -2.809 4.490 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.156 -1.812 5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.052 -4.433 6.102 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.787 -4.447 4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.148 -2.001 5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.079 -3.484 5.535 1.00 0.00 H new ATOM 0 HE ARG A 21 6.870 -3.243 2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.056 -0.468 3.523 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.689 -0.643 2.871 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.513 -4.132 2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.507 -2.701 2.409 1.00 0.00 H new ATOM 317 N PRO A 22 1.990 -2.306 7.624 1.00 0.00 N ATOM 318 CA PRO A 22 0.651 -1.709 7.680 1.00 0.00 C ATOM 319 C PRO A 22 0.669 -0.295 7.112 1.00 0.00 C ATOM 320 O PRO A 22 1.000 0.646 7.797 1.00 0.00 O ATOM 321 CB PRO A 22 0.303 -1.728 9.175 1.00 0.00 C ATOM 322 CG PRO A 22 1.647 -1.833 9.928 1.00 0.00 C ATOM 323 CD PRO A 22 2.644 -2.468 8.940 1.00 0.00 C ATOM 0 HA PRO A 22 -0.087 -2.247 7.085 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.234 -0.824 9.461 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.344 -2.572 9.414 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.991 -0.850 10.250 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.544 -2.444 10.825 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.611 -1.966 8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.822 -3.518 9.171 1.00 0.00 H new ATOM 331 N LEU A 23 0.310 -0.131 5.862 1.00 0.00 N ATOM 332 CA LEU A 23 0.306 1.230 5.277 1.00 0.00 C ATOM 333 C LEU A 23 -1.118 1.758 5.348 1.00 0.00 C ATOM 334 O LEU A 23 -2.042 1.139 4.860 1.00 0.00 O ATOM 335 CB LEU A 23 0.761 1.151 3.822 1.00 0.00 C ATOM 336 CG LEU A 23 2.000 0.262 3.733 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.873 -0.677 2.538 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.238 1.138 3.562 1.00 0.00 C ATOM 0 H LEU A 23 0.023 -0.880 5.232 1.00 0.00 H new ATOM 0 HA LEU A 23 0.981 1.892 5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.037 0.747 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.986 2.148 3.444 1.00 0.00 H new ATOM 0 HG LEU A 23 2.091 -0.327 4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.758 -1.310 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.988 -1.302 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.782 -0.091 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.124 0.507 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.145 1.726 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.331 1.808 4.417 1.00 0.00 H new ATOM 350 N CYS A 24 -1.320 2.881 5.973 1.00 0.00 N ATOM 351 CA CYS A 24 -2.709 3.397 6.082 1.00 0.00 C ATOM 352 C CYS A 24 -3.030 4.298 4.902 1.00 0.00 C ATOM 353 O CYS A 24 -2.343 5.258 4.629 1.00 0.00 O ATOM 354 CB CYS A 24 -2.900 4.151 7.398 1.00 0.00 C ATOM 355 SG CYS A 24 -4.080 3.228 8.405 1.00 0.00 S ATOM 0 H CYS A 24 -0.597 3.456 6.406 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.395 2.550 6.070 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.949 4.251 7.921 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.267 5.160 7.209 1.00 0.00 H new ATOM 360 N GLY A 25 -4.077 3.984 4.202 1.00 0.00 N ATOM 361 CA GLY A 25 -4.473 4.804 3.034 1.00 0.00 C ATOM 362 C GLY A 25 -4.527 6.270 3.464 1.00 0.00 C ATOM 363 O GLY A 25 -4.346 6.580 4.625 1.00 0.00 O ATOM 0 H GLY A 25 -4.682 3.185 4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.759 4.674 2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.445 4.484 2.659 1.00 0.00 H new ATOM 367 N SER A 26 -4.798 7.181 2.569 1.00 0.00 N ATOM 368 CA SER A 26 -4.879 8.602 3.008 1.00 0.00 C ATOM 369 C SER A 26 -6.308 8.878 3.479 1.00 0.00 C ATOM 370 O SER A 26 -6.685 10.002 3.743 1.00 0.00 O ATOM 371 CB SER A 26 -4.521 9.533 1.848 1.00 0.00 C ATOM 372 OG SER A 26 -4.250 10.833 2.357 1.00 0.00 O ATOM 0 H SER A 26 -4.963 7.010 1.577 1.00 0.00 H new ATOM 0 HA SER A 26 -4.175 8.782 3.820 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.651 9.150 1.314 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.342 9.574 1.132 1.00 0.00 H new ATOM 0 HG SER A 26 -4.964 11.098 2.974 1.00 0.00 H new ATOM 378 N ASP A 27 -7.104 7.846 3.591 1.00 0.00 N ATOM 379 CA ASP A 27 -8.508 8.020 4.049 1.00 0.00 C ATOM 380 C ASP A 27 -8.705 7.257 5.361 1.00 0.00 C ATOM 381 O ASP A 27 -9.496 7.654 6.191 1.00 0.00 O ATOM 382 CB ASP A 27 -9.459 7.459 2.991 1.00 0.00 C ATOM 383 CG ASP A 27 -9.282 5.940 2.905 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.289 5.510 2.339 1.00 0.00 O ATOM 385 OD2 ASP A 27 -10.139 5.234 3.409 1.00 0.00 O ATOM 0 H ASP A 27 -6.836 6.884 3.382 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.717 9.079 4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.490 7.703 3.247 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.254 7.916 2.023 1.00 0.00 H new ATOM 390 N ASN A 28 -7.976 6.169 5.531 1.00 0.00 N ATOM 391 CA ASN A 28 -8.062 5.320 6.774 1.00 0.00 C ATOM 392 C ASN A 28 -8.211 3.844 6.374 1.00 0.00 C ATOM 393 O ASN A 28 -8.983 3.109 6.956 1.00 0.00 O ATOM 394 CB ASN A 28 -9.259 5.725 7.648 1.00 0.00 C ATOM 395 CG ASN A 28 -9.373 4.781 8.847 1.00 0.00 C ATOM 396 OD1 ASN A 28 -10.154 3.851 8.832 1.00 0.00 O ATOM 397 ND2 ASN A 28 -8.626 4.988 9.898 1.00 0.00 N ATOM 0 H ASN A 28 -7.308 5.826 4.841 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.148 5.469 7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.137 6.752 7.993 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.177 5.693 7.060 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.699 4.369 10.705 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.970 5.769 9.912 1.00 0.00 H new ATOM 404 N LYS A 29 -7.479 3.400 5.384 1.00 0.00 N ATOM 405 CA LYS A 29 -7.586 1.970 4.958 1.00 0.00 C ATOM 406 C LYS A 29 -6.260 1.250 5.229 1.00 0.00 C ATOM 407 O LYS A 29 -5.350 1.277 4.424 1.00 0.00 O ATOM 408 CB LYS A 29 -7.905 1.903 3.464 1.00 0.00 C ATOM 409 CG LYS A 29 -8.840 0.724 3.194 1.00 0.00 C ATOM 410 CD LYS A 29 -10.175 1.240 2.654 1.00 0.00 C ATOM 411 CE LYS A 29 -11.257 1.078 3.723 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.852 2.409 4.031 1.00 0.00 N ATOM 0 H LYS A 29 -6.814 3.963 4.853 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.383 1.486 5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.372 2.833 3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.985 1.790 2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.384 0.043 2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.002 0.158 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.083 2.289 2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.452 0.690 1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.030 0.394 3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.830 0.641 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.588 2.300 4.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.110 3.048 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.274 2.809 3.168 1.00 0.00 H new ATOM 426 N THR A 30 -6.143 0.610 6.360 1.00 0.00 N ATOM 427 CA THR A 30 -4.875 -0.102 6.696 1.00 0.00 C ATOM 428 C THR A 30 -4.718 -1.366 5.844 1.00 0.00 C ATOM 429 O THR A 30 -5.638 -2.143 5.684 1.00 0.00 O ATOM 430 CB THR A 30 -4.899 -0.504 8.173 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.841 0.662 8.980 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.699 -1.401 8.480 1.00 0.00 C ATOM 0 H THR A 30 -6.873 0.549 7.069 1.00 0.00 H new ATOM 0 HA THR A 30 -4.039 0.567 6.495 1.00 0.00 H new ATOM 0 HB THR A 30 -5.819 -1.048 8.387 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.428 1.391 8.472 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.718 -1.686 9.532 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.746 -2.296 7.860 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.777 -0.860 8.267 1.00 0.00 H new ATOM 440 N TYR A 31 -3.541 -1.586 5.321 1.00 0.00 N ATOM 441 CA TYR A 31 -3.287 -2.808 4.505 1.00 0.00 C ATOM 442 C TYR A 31 -2.075 -3.526 5.104 1.00 0.00 C ATOM 443 O TYR A 31 -1.109 -2.907 5.491 1.00 0.00 O ATOM 444 CB TYR A 31 -3.043 -2.413 3.048 1.00 0.00 C ATOM 445 CG TYR A 31 -4.375 -2.377 2.327 1.00 0.00 C ATOM 446 CD1 TYR A 31 -5.020 -3.573 1.982 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.973 -1.150 2.009 1.00 0.00 C ATOM 448 CE1 TYR A 31 -6.254 -3.541 1.320 1.00 0.00 C ATOM 449 CE2 TYR A 31 -6.207 -1.119 1.350 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.847 -2.314 1.004 1.00 0.00 C ATOM 451 OH TYR A 31 -8.064 -2.281 0.355 1.00 0.00 O ATOM 0 H TYR A 31 -2.738 -0.966 5.426 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.147 -3.478 4.521 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.559 -1.438 2.997 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.373 -3.127 2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.564 -4.521 2.227 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.480 -0.226 2.273 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.748 -4.464 1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.666 -0.172 1.108 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.334 -1.350 0.213 1.00 0.00 H new ATOM 461 N GLY A 32 -2.143 -4.824 5.233 1.00 0.00 N ATOM 462 CA GLY A 32 -1.024 -5.577 5.872 1.00 0.00 C ATOM 463 C GLY A 32 0.343 -5.122 5.357 1.00 0.00 C ATOM 464 O GLY A 32 1.218 -4.794 6.133 1.00 0.00 O ATOM 0 H GLY A 32 -2.927 -5.397 4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.067 -5.442 6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.148 -6.643 5.679 1.00 0.00 H new ATOM 468 N ASN A 33 0.558 -5.108 4.073 1.00 0.00 N ATOM 469 CA ASN A 33 1.898 -4.678 3.577 1.00 0.00 C ATOM 470 C ASN A 33 1.778 -3.847 2.310 1.00 0.00 C ATOM 471 O ASN A 33 0.720 -3.378 1.945 1.00 0.00 O ATOM 472 CB ASN A 33 2.786 -5.897 3.310 1.00 0.00 C ATOM 473 CG ASN A 33 2.131 -6.836 2.299 1.00 0.00 C ATOM 474 OD1 ASN A 33 0.994 -6.647 1.913 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.818 -7.852 1.851 1.00 0.00 N ATOM 0 H ASN A 33 -0.119 -5.369 3.356 1.00 0.00 H new ATOM 0 HA ASN A 33 2.354 -4.062 4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.756 -5.571 2.934 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.969 -6.430 4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.401 -8.491 1.174 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.772 -8.007 2.178 1.00 0.00 H new ATOM 482 N LYS A 34 2.884 -3.640 1.665 1.00 0.00 N ATOM 483 CA LYS A 34 2.919 -2.820 0.439 1.00 0.00 C ATOM 484 C LYS A 34 2.136 -3.481 -0.699 1.00 0.00 C ATOM 485 O LYS A 34 1.566 -2.807 -1.529 1.00 0.00 O ATOM 486 CB LYS A 34 4.378 -2.652 0.035 1.00 0.00 C ATOM 487 CG LYS A 34 5.122 -3.980 0.206 1.00 0.00 C ATOM 488 CD LYS A 34 6.304 -4.028 -0.764 1.00 0.00 C ATOM 489 CE LYS A 34 6.134 -5.204 -1.725 1.00 0.00 C ATOM 490 NZ LYS A 34 7.372 -6.035 -1.717 1.00 0.00 N ATOM 0 H LYS A 34 3.789 -4.017 1.947 1.00 0.00 H new ATOM 0 HA LYS A 34 2.453 -1.854 0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.442 -2.320 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.847 -1.881 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.475 -4.082 1.232 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.447 -4.815 0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.366 -3.095 -1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.237 -4.130 -0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.276 -5.808 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.935 -4.838 -2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.636 -6.274 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.145 -5.502 -1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.200 -6.909 -1.181 1.00 0.00 H new ATOM 504 N CYS A 35 2.100 -4.783 -0.763 1.00 0.00 N ATOM 505 CA CYS A 35 1.341 -5.431 -1.868 1.00 0.00 C ATOM 506 C CYS A 35 -0.154 -5.366 -1.555 1.00 0.00 C ATOM 507 O CYS A 35 -0.982 -5.341 -2.444 1.00 0.00 O ATOM 508 CB CYS A 35 1.772 -6.890 -2.016 1.00 0.00 C ATOM 509 SG CYS A 35 0.848 -7.646 -3.377 1.00 0.00 S ATOM 0 H CYS A 35 2.556 -5.418 -0.108 1.00 0.00 H new ATOM 0 HA CYS A 35 1.546 -4.907 -2.802 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.843 -6.948 -2.211 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.587 -7.433 -1.089 1.00 0.00 H new ATOM 514 N ASN A 36 -0.505 -5.328 -0.300 1.00 0.00 N ATOM 515 CA ASN A 36 -1.945 -5.254 0.067 1.00 0.00 C ATOM 516 C ASN A 36 -2.394 -3.792 0.038 1.00 0.00 C ATOM 517 O ASN A 36 -3.560 -3.488 -0.123 1.00 0.00 O ATOM 518 CB ASN A 36 -2.141 -5.813 1.474 1.00 0.00 C ATOM 519 CG ASN A 36 -2.528 -7.286 1.388 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.670 -7.620 1.139 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.612 -8.187 1.585 1.00 0.00 N ATOM 0 H ASN A 36 0.144 -5.345 0.487 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.534 -5.837 -0.641 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.224 -5.700 2.052 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.917 -5.252 1.995 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.851 -9.177 1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.655 -7.904 1.794 1.00 0.00 H new ATOM 528 N PHE A 37 -1.469 -2.883 0.192 1.00 0.00 N ATOM 529 CA PHE A 37 -1.819 -1.435 0.179 1.00 0.00 C ATOM 530 C PHE A 37 -1.849 -0.944 -1.241 1.00 0.00 C ATOM 531 O PHE A 37 -2.657 -0.125 -1.634 1.00 0.00 O ATOM 532 CB PHE A 37 -0.754 -0.651 0.939 1.00 0.00 C ATOM 533 CG PHE A 37 -1.196 0.772 1.068 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.255 1.131 1.890 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.541 1.730 0.303 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.664 2.468 1.951 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.933 3.063 0.358 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.998 3.440 1.180 1.00 0.00 C ATOM 0 H PHE A 37 -0.478 -3.084 0.327 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.794 -1.295 0.646 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.598 -1.087 1.925 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.199 -0.703 0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.761 0.382 2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.277 1.437 -0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.488 2.754 2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.416 3.805 -0.233 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.309 4.473 1.224 1.00 0.00 H new ATOM 548 N CYS A 38 -0.958 -1.446 -2.003 1.00 0.00 N ATOM 549 CA CYS A 38 -0.892 -1.018 -3.423 1.00 0.00 C ATOM 550 C CYS A 38 -1.959 -1.756 -4.223 1.00 0.00 C ATOM 551 O CYS A 38 -2.510 -1.221 -5.154 1.00 0.00 O ATOM 552 CB CYS A 38 0.481 -1.287 -4.034 1.00 0.00 C ATOM 553 SG CYS A 38 0.439 -0.751 -5.753 1.00 0.00 S ATOM 0 H CYS A 38 -0.263 -2.137 -1.719 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.067 0.057 -3.459 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.254 -0.749 -3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.725 -2.347 -3.971 1.00 0.00 H new ATOM 558 N ASN A 39 -2.277 -2.971 -3.864 1.00 0.00 N ATOM 559 CA ASN A 39 -3.342 -3.690 -4.618 1.00 0.00 C ATOM 560 C ASN A 39 -4.616 -2.857 -4.512 1.00 0.00 C ATOM 561 O ASN A 39 -5.527 -2.972 -5.309 1.00 0.00 O ATOM 562 CB ASN A 39 -3.575 -5.073 -4.007 1.00 0.00 C ATOM 563 CG ASN A 39 -2.564 -6.063 -4.583 1.00 0.00 C ATOM 564 OD1 ASN A 39 -2.098 -5.897 -5.693 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.202 -7.094 -3.870 1.00 0.00 N ATOM 0 H ASN A 39 -1.853 -3.489 -3.094 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.051 -3.823 -5.660 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.475 -5.025 -2.923 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.590 -5.409 -4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.527 -7.761 -4.244 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.594 -7.233 -2.938 1.00 0.00 H new ATOM 572 N ALA A 40 -4.666 -1.993 -3.534 1.00 0.00 N ATOM 573 CA ALA A 40 -5.849 -1.115 -3.371 1.00 0.00 C ATOM 574 C ALA A 40 -5.608 0.142 -4.204 1.00 0.00 C ATOM 575 O ALA A 40 -6.507 0.694 -4.806 1.00 0.00 O ATOM 576 CB ALA A 40 -6.002 -0.738 -1.895 1.00 0.00 C ATOM 0 H ALA A 40 -3.931 -1.861 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.757 -1.621 -3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.872 -0.092 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.135 -1.642 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.109 -0.211 -1.560 1.00 0.00 H new ATOM 582 N VAL A 41 -4.379 0.582 -4.246 1.00 0.00 N ATOM 583 CA VAL A 41 -4.028 1.790 -5.041 1.00 0.00 C ATOM 584 C VAL A 41 -4.157 1.468 -6.532 1.00 0.00 C ATOM 585 O VAL A 41 -4.286 2.346 -7.363 1.00 0.00 O ATOM 586 CB VAL A 41 -2.576 2.167 -4.746 1.00 0.00 C ATOM 587 CG1 VAL A 41 -2.154 3.329 -5.644 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.442 2.572 -3.276 1.00 0.00 C ATOM 0 H VAL A 41 -3.595 0.149 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.695 2.612 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.931 1.311 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.119 3.596 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.245 3.033 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.797 4.188 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.407 2.841 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.087 3.427 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.736 1.737 -2.640 1.00 0.00 H new ATOM 598 N VAL A 42 -4.107 0.212 -6.870 1.00 0.00 N ATOM 599 CA VAL A 42 -4.208 -0.195 -8.297 1.00 0.00 C ATOM 600 C VAL A 42 -5.669 -0.473 -8.653 1.00 0.00 C ATOM 601 O VAL A 42 -6.126 -0.147 -9.731 1.00 0.00 O ATOM 602 CB VAL A 42 -3.359 -1.455 -8.527 1.00 0.00 C ATOM 603 CG1 VAL A 42 -1.900 -1.163 -8.178 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.856 -2.595 -7.644 1.00 0.00 C ATOM 0 H VAL A 42 -3.999 -0.559 -6.211 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.838 0.609 -8.934 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.443 -1.744 -9.575 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.300 -2.058 -8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.529 -0.357 -8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.829 -0.865 -7.132 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.246 -3.482 -7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.783 -2.302 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.895 -2.817 -7.887 1.00 0.00 H new ATOM 614 N GLU A 43 -6.407 -1.072 -7.759 1.00 0.00 N ATOM 615 CA GLU A 43 -7.839 -1.365 -8.058 1.00 0.00 C ATOM 616 C GLU A 43 -8.710 -0.205 -7.578 1.00 0.00 C ATOM 617 O GLU A 43 -9.914 -0.326 -7.473 1.00 0.00 O ATOM 618 CB GLU A 43 -8.272 -2.652 -7.348 1.00 0.00 C ATOM 619 CG GLU A 43 -9.180 -3.463 -8.274 1.00 0.00 C ATOM 620 CD GLU A 43 -10.521 -3.708 -7.579 1.00 0.00 C ATOM 621 OE1 GLU A 43 -10.505 -4.049 -6.408 1.00 0.00 O ATOM 622 OE2 GLU A 43 -11.541 -3.548 -8.230 1.00 0.00 O ATOM 0 H GLU A 43 -6.083 -1.370 -6.839 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.957 -1.492 -9.134 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.397 -3.240 -7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.798 -2.411 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.335 -2.927 -9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.708 -4.413 -8.524 1.00 0.00 H new ATOM 629 N SER A 44 -8.117 0.917 -7.275 1.00 0.00 N ATOM 630 CA SER A 44 -8.927 2.071 -6.791 1.00 0.00 C ATOM 631 C SER A 44 -8.631 3.313 -7.634 1.00 0.00 C ATOM 632 O SER A 44 -9.037 4.407 -7.300 1.00 0.00 O ATOM 633 CB SER A 44 -8.584 2.355 -5.328 1.00 0.00 C ATOM 634 OG SER A 44 -7.318 2.996 -5.257 1.00 0.00 O ATOM 0 H SER A 44 -7.113 1.085 -7.341 1.00 0.00 H new ATOM 0 HA SER A 44 -9.985 1.825 -6.880 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.350 2.987 -4.879 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.566 1.425 -4.760 1.00 0.00 H new ATOM 0 HG SER A 44 -6.609 2.320 -5.257 1.00 0.00 H new ATOM 640 N ASN A 45 -7.929 3.157 -8.722 1.00 0.00 N ATOM 641 CA ASN A 45 -7.614 4.337 -9.577 1.00 0.00 C ATOM 642 C ASN A 45 -6.519 5.177 -8.913 1.00 0.00 C ATOM 643 O ASN A 45 -6.091 6.185 -9.440 1.00 0.00 O ATOM 644 CB ASN A 45 -8.875 5.190 -9.752 1.00 0.00 C ATOM 645 CG ASN A 45 -8.969 5.676 -11.196 1.00 0.00 C ATOM 646 OD1 ASN A 45 -10.045 5.742 -11.759 1.00 0.00 O ATOM 647 ND2 ASN A 45 -7.884 6.024 -11.826 1.00 0.00 N ATOM 0 H ASN A 45 -7.560 2.266 -9.056 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.266 3.995 -10.551 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -9.759 4.606 -9.496 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.847 6.042 -9.072 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.937 6.352 -12.791 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.981 5.969 -11.355 1.00 0.00 H new ATOM 654 N GLY A 46 -6.060 4.771 -7.760 1.00 0.00 N ATOM 655 CA GLY A 46 -4.992 5.545 -7.067 1.00 0.00 C ATOM 656 C GLY A 46 -5.621 6.641 -6.205 1.00 0.00 C ATOM 657 O GLY A 46 -4.947 7.538 -5.736 1.00 0.00 O ATOM 0 H GLY A 46 -6.379 3.936 -7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.393 4.879 -6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.318 5.988 -7.800 1.00 0.00 H new ATOM 661 N THR A 47 -6.905 6.575 -5.982 1.00 0.00 N ATOM 662 CA THR A 47 -7.567 7.611 -5.140 1.00 0.00 C ATOM 663 C THR A 47 -7.371 7.259 -3.662 1.00 0.00 C ATOM 664 O THR A 47 -7.751 8.002 -2.778 1.00 0.00 O ATOM 665 CB THR A 47 -9.063 7.652 -5.462 1.00 0.00 C ATOM 666 OG1 THR A 47 -9.707 8.570 -4.589 1.00 0.00 O ATOM 667 CG2 THR A 47 -9.664 6.259 -5.278 1.00 0.00 C ATOM 0 H THR A 47 -7.523 5.850 -6.346 1.00 0.00 H new ATOM 0 HA THR A 47 -7.127 8.587 -5.346 1.00 0.00 H new ATOM 0 HB THR A 47 -9.206 7.971 -6.494 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.141 8.728 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.729 6.289 -5.507 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.168 5.557 -5.949 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.524 5.936 -4.246 1.00 0.00 H new ATOM 675 N LEU A 48 -6.778 6.127 -3.391 1.00 0.00 N ATOM 676 CA LEU A 48 -6.545 5.712 -1.983 1.00 0.00 C ATOM 677 C LEU A 48 -5.316 6.446 -1.447 1.00 0.00 C ATOM 678 O LEU A 48 -5.410 7.335 -0.624 1.00 0.00 O ATOM 679 CB LEU A 48 -6.321 4.190 -1.960 1.00 0.00 C ATOM 680 CG LEU A 48 -5.480 3.776 -0.750 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.148 4.267 0.528 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.370 2.251 -0.709 1.00 0.00 C ATOM 0 H LEU A 48 -6.443 5.468 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.401 5.960 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.283 3.678 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.822 3.879 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.486 4.215 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.548 3.972 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.232 5.353 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.142 3.828 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.772 1.952 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.366 1.816 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.894 1.896 -1.623 1.00 0.00 H new ATOM 694 N THR A 49 -4.170 6.063 -1.908 1.00 0.00 N ATOM 695 CA THR A 49 -2.915 6.696 -1.450 1.00 0.00 C ATOM 696 C THR A 49 -2.820 6.491 0.048 1.00 0.00 C ATOM 697 O THR A 49 -3.693 5.904 0.635 1.00 0.00 O ATOM 698 CB THR A 49 -2.939 8.185 -1.781 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.597 8.891 -0.737 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.681 8.407 -3.100 1.00 0.00 C ATOM 0 H THR A 49 -4.047 5.322 -2.598 1.00 0.00 H new ATOM 0 HA THR A 49 -2.052 6.252 -1.947 1.00 0.00 H new ATOM 0 HB THR A 49 -1.917 8.552 -1.879 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.560 8.717 -0.781 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.697 9.471 -3.334 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.172 7.867 -3.899 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.703 8.041 -3.008 1.00 0.00 H new ATOM 708 N LEU A 50 -1.770 6.926 0.673 1.00 0.00 N ATOM 709 CA LEU A 50 -1.658 6.709 2.121 1.00 0.00 C ATOM 710 C LEU A 50 -1.388 8.035 2.830 1.00 0.00 C ATOM 711 O LEU A 50 -1.079 9.037 2.216 1.00 0.00 O ATOM 712 CB LEU A 50 -0.566 5.659 2.331 1.00 0.00 C ATOM 713 CG LEU A 50 0.601 6.168 3.164 1.00 0.00 C ATOM 714 CD1 LEU A 50 1.120 4.992 3.959 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.706 6.696 2.244 1.00 0.00 C ATOM 0 H LEU A 50 -0.990 7.420 0.240 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.584 6.335 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.999 4.786 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.195 5.330 1.360 1.00 0.00 H new ATOM 0 HG LEU A 50 0.287 6.979 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.961 5.311 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.327 4.608 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.447 4.207 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.539 7.059 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.052 5.893 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.315 7.512 1.637 1.00 0.00 H new ATOM 727 N SER A 51 -1.524 8.039 4.125 1.00 0.00 N ATOM 728 CA SER A 51 -1.304 9.273 4.901 1.00 0.00 C ATOM 729 C SER A 51 -0.088 9.068 5.797 1.00 0.00 C ATOM 730 O SER A 51 0.511 10.009 6.281 1.00 0.00 O ATOM 731 CB SER A 51 -2.534 9.545 5.774 1.00 0.00 C ATOM 732 OG SER A 51 -3.153 10.754 5.359 1.00 0.00 O ATOM 0 H SER A 51 -1.782 7.223 4.680 1.00 0.00 H new ATOM 0 HA SER A 51 -1.140 10.117 4.231 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.239 8.718 5.695 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.241 9.615 6.822 1.00 0.00 H new ATOM 0 HG SER A 51 -3.376 10.697 4.406 1.00 0.00 H new ATOM 738 N HIS A 52 0.273 7.838 6.032 1.00 0.00 N ATOM 739 CA HIS A 52 1.437 7.562 6.908 1.00 0.00 C ATOM 740 C HIS A 52 1.766 6.066 6.886 1.00 0.00 C ATOM 741 O HIS A 52 0.885 5.221 6.852 1.00 0.00 O ATOM 742 CB HIS A 52 1.078 7.970 8.332 1.00 0.00 C ATOM 743 CG HIS A 52 -0.114 7.172 8.786 1.00 0.00 C ATOM 744 ND1 HIS A 52 -0.191 6.632 10.060 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.285 6.810 8.154 1.00 0.00 C ATOM 746 CE1 HIS A 52 -1.366 5.985 10.155 1.00 0.00 C ATOM 747 NE2 HIS A 52 -2.070 6.067 9.026 1.00 0.00 N ATOM 0 H HIS A 52 -0.191 7.012 5.653 1.00 0.00 H new ATOM 0 HA HIS A 52 2.302 8.123 6.555 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.923 7.796 8.998 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.855 9.036 8.373 1.00 0.00 H new ATOM 0 HD1 HIS A 52 0.515 6.711 10.792 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.550 7.065 7.139 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.699 5.462 11.039 1.00 0.00 H new ATOM 755 N PHE A 53 3.028 5.732 6.922 1.00 0.00 N ATOM 756 CA PHE A 53 3.413 4.296 6.925 1.00 0.00 C ATOM 757 C PHE A 53 3.166 3.732 8.321 1.00 0.00 C ATOM 758 O PHE A 53 3.808 4.113 9.280 1.00 0.00 O ATOM 759 CB PHE A 53 4.891 4.148 6.579 1.00 0.00 C ATOM 760 CG PHE A 53 5.099 4.418 5.110 1.00 0.00 C ATOM 761 CD1 PHE A 53 4.936 5.713 4.608 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.456 3.372 4.250 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.131 5.965 3.246 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.652 3.623 2.887 1.00 0.00 C ATOM 765 CZ PHE A 53 5.490 4.920 2.385 1.00 0.00 C ATOM 0 H PHE A 53 3.806 6.392 6.949 1.00 0.00 H new ATOM 0 HA PHE A 53 2.821 3.757 6.185 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.485 4.842 7.174 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.233 3.143 6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.660 6.519 5.272 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.580 2.372 4.638 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.005 6.965 2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.928 2.817 2.223 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.642 5.115 1.334 1.00 0.00 H new ATOM 775 N GLY A 54 2.231 2.842 8.443 1.00 0.00 N ATOM 776 CA GLY A 54 1.918 2.263 9.764 1.00 0.00 C ATOM 777 C GLY A 54 0.411 2.042 9.839 1.00 0.00 C ATOM 778 O GLY A 54 -0.311 2.278 8.891 1.00 0.00 O ATOM 0 H GLY A 54 1.664 2.488 7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.448 1.321 9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.245 2.932 10.560 1.00 0.00 H new ATOM 782 N LYS A 55 -0.067 1.619 10.959 1.00 0.00 N ATOM 783 CA LYS A 55 -1.538 1.411 11.110 1.00 0.00 C ATOM 784 C LYS A 55 -2.180 2.742 11.510 1.00 0.00 C ATOM 785 O LYS A 55 -1.562 3.575 12.142 1.00 0.00 O ATOM 786 CB LYS A 55 -1.848 0.352 12.182 1.00 0.00 C ATOM 787 CG LYS A 55 -0.600 0.028 13.008 1.00 0.00 C ATOM 788 CD LYS A 55 -0.958 -0.992 14.089 1.00 0.00 C ATOM 789 CE LYS A 55 -0.076 -0.763 15.317 1.00 0.00 C ATOM 790 NZ LYS A 55 -0.267 -1.883 16.281 1.00 0.00 N ATOM 0 H LYS A 55 0.490 1.404 11.786 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.941 1.056 10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.639 0.714 12.838 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.219 -0.555 11.706 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.184 -0.369 12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.207 0.936 13.465 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.009 -0.897 14.360 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.817 -2.004 13.710 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.971 -0.699 15.020 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.331 0.185 15.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.333 -1.728 17.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.264 -1.923 16.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.003 -2.781 15.827 1.00 0.00 H new ATOM 804 N CYS A 56 -3.411 2.953 11.136 1.00 0.00 N ATOM 805 CA CYS A 56 -4.090 4.233 11.481 1.00 0.00 C ATOM 806 C CYS A 56 -4.191 4.368 13.001 1.00 0.00 C ATOM 807 O CYS A 56 -3.336 5.021 13.576 1.00 0.00 O ATOM 808 CB CYS A 56 -5.491 4.248 10.869 1.00 0.00 C ATOM 809 SG CYS A 56 -5.363 4.623 9.104 1.00 0.00 S ATOM 810 OXT CYS A 56 -5.121 3.816 13.565 1.00 0.00 O ATOM 0 H CYS A 56 -3.978 2.292 10.605 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.513 5.068 11.084 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.975 3.282 11.014 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.111 4.993 11.368 1.00 0.00 H new TER 815 CYS A 56