USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 337 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= -4.03! C(o=-4.2!,f=-6.4!) USER MOD Set 1.2: A 36 ASN : amide:sc= -0.12 X(o=-4.2,f=-3.9) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 18:sc= 0.453 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0806 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.75 USER MOD Single : A 26 SER OG : rot 180:sc=-0.00424 USER MOD Single : A 28 ASN : amide:sc=-0.000933 X(o=-0.00093,f=-0.026) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.82 USER MOD Single : A 31 TYR OH : rot 51:sc= -11! USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= -0.165 (180deg=-0.19) USER MOD Single : A 39 ASN : amide:sc= -1.1 K(o=-1.1,f=-1.9!) USER MOD Single : A 44 SER OG : rot -75:sc= -1.58 USER MOD Single : A 45 ASN : amide:sc= -2.2! C(o=-2.2!,f=-7.7!) USER MOD Single : A 47 THR OG1 : rot -111:sc= 0.281 USER MOD Single : A 49 THR OG1 : rot -174:sc= -3.55! USER MOD Single : A 51 SER OG : rot 180:sc= -1.11 USER MOD Single : A 52 HIS : no HD1:sc= -7.33! C(o=-7.3!,f=-7.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -16.669 -2.370 -11.566 1.00 0.00 N ATOM 2 CA LEU A 1 -15.442 -1.619 -11.365 1.00 0.00 C ATOM 3 C LEU A 1 -15.506 -0.896 -10.018 1.00 0.00 C ATOM 4 O LEU A 1 -16.186 0.120 -9.887 1.00 0.00 O ATOM 5 CB LEU A 1 -15.183 -0.687 -12.551 1.00 0.00 C ATOM 6 CG LEU A 1 -14.006 -1.063 -13.455 1.00 0.00 C ATOM 7 CD1 LEU A 1 -14.325 -2.313 -14.279 1.00 0.00 C ATOM 8 CD2 LEU A 1 -13.595 0.117 -14.338 1.00 0.00 C ATOM 0 H1 LEU A 1 -16.629 -2.863 -12.481 1.00 0.00 H new ATOM 0 H2 LEU A 1 -16.778 -3.067 -10.802 1.00 0.00 H new ATOM 0 H3 LEU A 1 -17.480 -1.719 -11.559 1.00 0.00 H new ATOM 0 HA LEU A 1 -14.586 -2.293 -11.326 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -16.086 -0.648 -13.161 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -15.014 0.319 -12.167 1.00 0.00 H new ATOM 0 HG LEU A 1 -13.152 -1.304 -12.822 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -13.473 -2.558 -14.912 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -14.531 -3.148 -13.609 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -15.198 -2.124 -14.903 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -12.757 -0.176 -14.970 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -14.436 0.413 -14.965 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -13.298 0.956 -13.709 1.00 0.00 H new ATOM 19 N ALA A 2 -14.788 -1.448 -9.052 1.00 0.00 N ATOM 20 CA ALA A 2 -14.754 -0.869 -7.720 1.00 0.00 C ATOM 21 C ALA A 2 -13.427 -0.133 -7.521 1.00 0.00 C ATOM 22 O ALA A 2 -12.528 -0.639 -6.852 1.00 0.00 O ATOM 23 CB ALA A 2 -14.973 -1.969 -6.678 1.00 0.00 C ATOM 0 H ALA A 2 -14.225 -2.291 -9.165 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.556 -0.141 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.947 -1.534 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.942 -2.440 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.186 -2.717 -6.768 1.00 0.00 H new ATOM 29 N ALA A 3 -13.347 1.048 -8.114 1.00 0.00 N ATOM 30 CA ALA A 3 -12.146 1.858 -8.011 1.00 0.00 C ATOM 31 C ALA A 3 -11.864 2.160 -6.537 1.00 0.00 C ATOM 32 O ALA A 3 -12.746 2.625 -5.816 1.00 0.00 O ATOM 33 CB ALA A 3 -12.314 3.130 -8.845 1.00 0.00 C ATOM 0 H ALA A 3 -14.095 1.464 -8.668 1.00 0.00 H new ATOM 0 HA ALA A 3 -11.285 1.320 -8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.412 3.738 -8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -12.482 2.862 -9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.167 3.698 -8.474 1.00 0.00 H new ATOM 39 N VAL A 4 -10.634 1.883 -6.135 1.00 0.00 N ATOM 40 CA VAL A 4 -10.224 2.119 -4.760 1.00 0.00 C ATOM 41 C VAL A 4 -8.830 2.748 -4.748 1.00 0.00 C ATOM 42 O VAL A 4 -8.152 2.782 -5.773 1.00 0.00 O ATOM 43 CB VAL A 4 -10.301 0.816 -3.961 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.406 -0.259 -4.580 1.00 0.00 C ATOM 45 CG2 VAL A 4 -9.940 1.052 -2.493 1.00 0.00 C ATOM 0 H VAL A 4 -9.906 1.497 -6.737 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.900 2.823 -4.275 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.330 0.458 -4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.479 -1.175 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.728 -0.456 -5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.372 0.087 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.002 0.111 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.925 1.444 -2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.635 1.770 -2.058 1.00 0.00 H new ATOM 55 N SER A 5 -8.443 3.230 -3.576 1.00 0.00 N ATOM 56 CA SER A 5 -7.141 3.854 -3.416 1.00 0.00 C ATOM 57 C SER A 5 -6.688 3.756 -1.959 1.00 0.00 C ATOM 58 O SER A 5 -7.475 3.402 -1.082 1.00 0.00 O ATOM 59 CB SER A 5 -7.174 5.318 -3.863 1.00 0.00 C ATOM 60 OG SER A 5 -7.024 5.448 -5.274 1.00 0.00 O ATOM 0 H SER A 5 -9.009 3.201 -2.728 1.00 0.00 H new ATOM 0 HA SER A 5 -6.428 3.324 -4.048 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.117 5.770 -3.555 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.378 5.868 -3.361 1.00 0.00 H new ATOM 0 HG SER A 5 -7.211 4.587 -5.704 1.00 0.00 H new ATOM 65 N VAL A 6 -5.419 4.073 -1.745 1.00 0.00 N ATOM 66 CA VAL A 6 -4.852 4.024 -0.408 1.00 0.00 C ATOM 67 C VAL A 6 -4.514 5.443 0.051 1.00 0.00 C ATOM 68 O VAL A 6 -3.914 6.215 -0.697 1.00 0.00 O ATOM 69 CB VAL A 6 -3.643 3.085 -0.387 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.872 3.214 0.928 1.00 0.00 C ATOM 71 CG2 VAL A 6 -4.070 1.636 -0.632 1.00 0.00 C ATOM 0 H VAL A 6 -4.768 4.364 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.576 3.618 0.299 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.976 3.379 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.018 2.536 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.520 4.239 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.527 2.958 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.192 0.990 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.767 1.326 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.555 1.559 -1.605 1.00 0.00 H new ATOM 81 N ASP A 7 -4.913 5.746 1.278 1.00 0.00 N ATOM 82 CA ASP A 7 -4.659 7.059 1.844 1.00 0.00 C ATOM 83 C ASP A 7 -3.557 6.951 2.899 1.00 0.00 C ATOM 84 O ASP A 7 -3.552 6.021 3.704 1.00 0.00 O ATOM 85 CB ASP A 7 -5.911 7.617 2.525 1.00 0.00 C ATOM 86 CG ASP A 7 -6.082 9.133 2.422 1.00 0.00 C ATOM 87 OD1 ASP A 7 -5.271 9.905 2.957 1.00 0.00 O ATOM 88 OD2 ASP A 7 -7.114 9.522 1.752 1.00 0.00 O ATOM 0 H ASP A 7 -5.410 5.104 1.895 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.362 7.724 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.787 7.137 2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.887 7.340 3.579 1.00 0.00 H new ATOM 93 N CYS A 8 -2.649 7.915 2.861 1.00 0.00 N ATOM 94 CA CYS A 8 -1.543 7.940 3.804 1.00 0.00 C ATOM 95 C CYS A 8 -1.492 9.327 4.448 1.00 0.00 C ATOM 96 O CYS A 8 -0.414 9.896 4.621 1.00 0.00 O ATOM 97 CB CYS A 8 -0.218 7.573 3.133 1.00 0.00 C ATOM 98 SG CYS A 8 0.406 5.899 3.531 1.00 0.00 S ATOM 0 H CYS A 8 -2.656 8.685 2.192 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.704 7.188 4.576 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.340 7.653 2.053 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.535 8.305 3.424 1.00 0.00 H new ATOM 102 N SER A 9 -2.669 9.832 4.786 1.00 0.00 N ATOM 103 CA SER A 9 -2.772 11.141 5.407 1.00 0.00 C ATOM 104 C SER A 9 -2.638 11.013 6.925 1.00 0.00 C ATOM 105 O SER A 9 -2.239 11.960 7.599 1.00 0.00 O ATOM 106 CB SER A 9 -4.094 11.820 5.045 1.00 0.00 C ATOM 107 OG SER A 9 -4.353 12.955 5.867 1.00 0.00 O ATOM 0 H SER A 9 -3.560 9.358 4.641 1.00 0.00 H new ATOM 0 HA SER A 9 -1.961 11.763 5.029 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.069 12.127 4.000 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.909 11.104 5.148 1.00 0.00 H new ATOM 0 HG SER A 9 -5.205 13.362 5.604 1.00 0.00 H new ATOM 112 N GLU A 10 -2.981 9.831 7.419 1.00 0.00 N ATOM 113 CA GLU A 10 -2.906 9.566 8.846 1.00 0.00 C ATOM 114 C GLU A 10 -2.154 8.259 9.103 1.00 0.00 C ATOM 115 O GLU A 10 -2.714 7.313 9.653 1.00 0.00 O ATOM 116 CB GLU A 10 -4.301 9.528 9.471 1.00 0.00 C ATOM 117 CG GLU A 10 -5.176 8.470 8.795 1.00 0.00 C ATOM 118 CD GLU A 10 -5.740 7.488 9.823 1.00 0.00 C ATOM 119 OE1 GLU A 10 -5.216 7.393 10.943 1.00 0.00 O ATOM 120 OE2 GLU A 10 -6.762 6.808 9.424 1.00 0.00 O ATOM 0 H GLU A 10 -3.311 9.047 6.856 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.355 10.379 9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.220 9.312 10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.771 10.507 9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.994 8.955 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.590 7.928 8.053 1.00 0.00 H new ATOM 126 N TYR A 11 -0.893 8.248 8.694 1.00 0.00 N ATOM 127 CA TYR A 11 -0.058 7.072 8.873 1.00 0.00 C ATOM 128 C TYR A 11 1.419 7.413 8.667 1.00 0.00 C ATOM 129 O TYR A 11 1.924 7.352 7.547 1.00 0.00 O ATOM 130 CB TYR A 11 -0.494 6.077 7.796 1.00 0.00 C ATOM 131 CG TYR A 11 -1.454 4.997 8.300 1.00 0.00 C ATOM 132 CD1 TYR A 11 -1.004 4.028 9.175 1.00 0.00 C ATOM 133 CD2 TYR A 11 -2.768 4.989 7.879 1.00 0.00 C ATOM 134 CE1 TYR A 11 -1.906 3.011 9.650 1.00 0.00 C ATOM 135 CE2 TYR A 11 -3.670 3.972 8.354 1.00 0.00 C ATOM 136 CZ TYR A 11 -3.195 3.033 9.216 1.00 0.00 C ATOM 137 OH TYR A 11 -4.047 2.073 9.663 1.00 0.00 O ATOM 0 H TYR A 11 -0.430 9.035 8.239 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.169 6.672 9.881 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.972 6.623 6.983 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.391 5.596 7.380 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.025 4.033 9.503 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.120 5.745 7.193 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.567 2.248 10.335 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -4.701 3.955 8.033 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.934 2.214 9.271 1.00 0.00 H new ATOM 146 N PRO A 12 2.089 7.772 9.795 1.00 0.00 N ATOM 147 CA PRO A 12 3.498 8.122 9.750 1.00 0.00 C ATOM 148 C PRO A 12 4.368 6.873 9.589 1.00 0.00 C ATOM 149 O PRO A 12 4.138 5.863 10.251 1.00 0.00 O ATOM 150 CB PRO A 12 3.762 8.866 11.048 1.00 0.00 C ATOM 151 CG PRO A 12 2.614 8.502 11.976 1.00 0.00 C ATOM 152 CD PRO A 12 1.524 7.854 11.139 1.00 0.00 C ATOM 0 HA PRO A 12 3.749 8.746 8.892 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.720 8.574 11.478 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.803 9.942 10.880 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.954 7.819 12.754 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.232 9.391 12.477 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.266 6.866 11.521 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.611 8.449 11.149 1.00 0.00 H new ATOM 157 N LYS A 13 5.349 6.984 8.705 1.00 0.00 N ATOM 158 CA LYS A 13 6.255 5.877 8.450 1.00 0.00 C ATOM 159 C LYS A 13 6.954 5.484 9.752 1.00 0.00 C ATOM 160 O LYS A 13 7.510 4.392 9.858 1.00 0.00 O ATOM 161 CB LYS A 13 7.220 6.225 7.314 1.00 0.00 C ATOM 162 CG LYS A 13 8.396 7.057 7.830 1.00 0.00 C ATOM 163 CD LYS A 13 9.489 7.179 6.766 1.00 0.00 C ATOM 164 CE LYS A 13 9.508 8.582 6.159 1.00 0.00 C ATOM 165 NZ LYS A 13 10.889 9.110 6.113 1.00 0.00 N ATOM 0 H LYS A 13 5.536 7.823 8.157 1.00 0.00 H new ATOM 0 HA LYS A 13 5.701 5.002 8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.592 5.309 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.690 6.779 6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.047 8.050 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.807 6.595 8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.460 6.958 7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.321 6.441 5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.090 8.555 5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.878 9.248 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.882 10.064 5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.276 9.155 7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.481 8.483 5.531 1.00 0.00 H new ATOM 175 N ASP A 14 6.904 6.397 10.711 1.00 0.00 N ATOM 176 CA ASP A 14 7.526 6.159 12.003 1.00 0.00 C ATOM 177 C ASP A 14 6.619 5.257 12.843 1.00 0.00 C ATOM 178 O ASP A 14 7.103 4.455 13.640 1.00 0.00 O ATOM 179 CB ASP A 14 7.727 7.470 12.767 1.00 0.00 C ATOM 180 CG ASP A 14 8.940 8.293 12.330 1.00 0.00 C ATOM 181 OD1 ASP A 14 9.170 8.503 11.129 1.00 0.00 O ATOM 182 OD2 ASP A 14 9.675 8.735 13.293 1.00 0.00 O ATOM 0 H ASP A 14 6.443 7.302 10.620 1.00 0.00 H new ATOM 0 HA ASP A 14 8.494 5.690 11.830 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.832 8.081 12.652 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.824 7.243 13.829 1.00 0.00 H new ATOM 187 N ALA A 15 5.321 5.419 12.635 1.00 0.00 N ATOM 188 CA ALA A 15 4.343 4.629 13.363 1.00 0.00 C ATOM 189 C ALA A 15 4.237 3.242 12.725 1.00 0.00 C ATOM 190 O ALA A 15 5.087 2.383 12.955 1.00 0.00 O ATOM 191 CB ALA A 15 3.002 5.366 13.381 1.00 0.00 C ATOM 0 H ALA A 15 4.924 6.086 11.973 1.00 0.00 H new ATOM 0 HA ALA A 15 4.654 4.493 14.399 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.268 4.773 13.927 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.124 6.332 13.870 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.657 5.518 12.358 1.00 0.00 H new ATOM 197 N CYS A 16 3.186 3.067 11.937 1.00 0.00 N ATOM 198 CA CYS A 16 2.959 1.799 11.264 1.00 0.00 C ATOM 199 C CYS A 16 3.259 0.670 12.252 1.00 0.00 C ATOM 200 O CYS A 16 4.367 0.138 12.273 1.00 0.00 O ATOM 201 CB CYS A 16 3.793 1.678 9.987 1.00 0.00 C ATOM 202 SG CYS A 16 4.032 3.246 9.074 1.00 0.00 S ATOM 0 H CYS A 16 2.483 3.782 11.750 1.00 0.00 H new ATOM 0 HA CYS A 16 1.918 1.735 10.946 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.771 1.272 10.246 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.314 0.957 9.324 1.00 0.00 H new ATOM 206 N THR A 17 2.252 0.339 13.047 1.00 0.00 N ATOM 207 CA THR A 17 2.395 -0.717 14.034 1.00 0.00 C ATOM 208 C THR A 17 2.570 -2.071 13.346 1.00 0.00 C ATOM 209 O THR A 17 3.266 -2.173 12.336 1.00 0.00 O ATOM 210 CB THR A 17 1.181 -0.661 14.965 1.00 0.00 C ATOM 211 OG1 THR A 17 0.918 0.733 15.110 1.00 0.00 O ATOM 212 CG2 THR A 17 1.510 -1.128 16.385 1.00 0.00 C ATOM 0 H THR A 17 1.334 0.784 13.027 1.00 0.00 H new ATOM 0 HA THR A 17 3.292 -0.576 14.636 1.00 0.00 H new ATOM 0 HB THR A 17 0.381 -1.278 14.556 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.144 0.861 15.698 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.615 -1.068 17.004 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.864 -2.159 16.356 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.286 -0.490 16.807 1.00 0.00 H new ATOM 220 N LEU A 18 1.929 -3.079 13.919 1.00 0.00 N ATOM 221 CA LEU A 18 2.005 -4.423 13.374 1.00 0.00 C ATOM 222 C LEU A 18 0.818 -4.656 12.436 1.00 0.00 C ATOM 223 O LEU A 18 0.428 -5.798 12.196 1.00 0.00 O ATOM 224 CB LEU A 18 2.112 -5.453 14.500 1.00 0.00 C ATOM 225 CG LEU A 18 3.329 -6.379 14.449 1.00 0.00 C ATOM 226 CD1 LEU A 18 3.266 -7.301 13.231 1.00 0.00 C ATOM 227 CD2 LEU A 18 4.630 -5.575 14.493 1.00 0.00 C ATOM 0 H LEU A 18 1.354 -2.991 14.757 1.00 0.00 H new ATOM 0 HA LEU A 18 2.910 -4.542 12.779 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.124 -4.922 15.452 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.212 -6.068 14.490 1.00 0.00 H new ATOM 0 HG LEU A 18 3.312 -7.015 15.334 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.143 -7.948 13.219 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.365 -7.912 13.283 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.246 -6.701 12.321 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.480 -6.256 14.456 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.669 -4.899 13.639 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.669 -4.996 15.416 1.00 0.00 H new ATOM 238 N GLU A 19 0.278 -3.557 11.932 1.00 0.00 N ATOM 239 CA GLU A 19 -0.856 -3.627 11.027 1.00 0.00 C ATOM 240 C GLU A 19 -0.440 -4.276 9.705 1.00 0.00 C ATOM 241 O GLU A 19 0.176 -3.631 8.859 1.00 0.00 O ATOM 242 CB GLU A 19 -1.457 -2.240 10.792 1.00 0.00 C ATOM 243 CG GLU A 19 -2.787 -2.085 11.532 1.00 0.00 C ATOM 244 CD GLU A 19 -2.565 -1.992 13.043 1.00 0.00 C ATOM 245 OE1 GLU A 19 -1.419 -2.077 13.508 1.00 0.00 O ATOM 246 OE2 GLU A 19 -3.636 -1.822 13.741 1.00 0.00 O ATOM 0 H GLU A 19 0.605 -2.612 12.133 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.626 -4.246 11.487 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.758 -1.475 11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.610 -2.083 9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.301 -1.190 11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.434 -2.933 11.307 1.00 0.00 H new ATOM 252 N TYR A 20 -0.795 -5.546 9.568 1.00 0.00 N ATOM 253 CA TYR A 20 -0.466 -6.289 8.365 1.00 0.00 C ATOM 254 C TYR A 20 -1.621 -6.247 7.362 1.00 0.00 C ATOM 255 O TYR A 20 -2.727 -6.693 7.665 1.00 0.00 O ATOM 256 CB TYR A 20 -0.245 -7.737 8.809 1.00 0.00 C ATOM 257 CG TYR A 20 -0.650 -8.777 7.765 1.00 0.00 C ATOM 258 CD1 TYR A 20 0.057 -8.882 6.583 1.00 0.00 C ATOM 259 CD2 TYR A 20 -1.724 -9.612 8.002 1.00 0.00 C ATOM 260 CE1 TYR A 20 -0.324 -9.862 5.600 1.00 0.00 C ATOM 261 CE2 TYR A 20 -2.105 -10.592 7.018 1.00 0.00 C ATOM 262 CZ TYR A 20 -1.387 -10.668 5.867 1.00 0.00 C ATOM 263 OH TYR A 20 -1.747 -11.594 4.937 1.00 0.00 O ATOM 0 H TYR A 20 -1.307 -6.078 10.271 1.00 0.00 H new ATOM 0 HA TYR A 20 0.412 -5.862 7.879 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.808 -7.874 9.054 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -0.811 -7.916 9.723 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.896 -8.228 6.396 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.278 -9.530 8.925 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.221 -9.955 4.672 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.942 -11.252 7.191 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.521 -12.100 5.261 1.00 0.00 H new ATOM 272 N ARG A 21 -1.326 -5.707 6.189 1.00 0.00 N ATOM 273 CA ARG A 21 -2.326 -5.601 5.140 1.00 0.00 C ATOM 274 C ARG A 21 -1.685 -5.832 3.770 1.00 0.00 C ATOM 275 O ARG A 21 -0.942 -4.985 3.278 1.00 0.00 O ATOM 276 CB ARG A 21 -2.997 -4.226 5.156 1.00 0.00 C ATOM 277 CG ARG A 21 -3.214 -3.739 6.590 1.00 0.00 C ATOM 278 CD ARG A 21 -4.318 -4.543 7.281 1.00 0.00 C ATOM 279 NE ARG A 21 -5.609 -3.830 7.169 1.00 0.00 N ATOM 280 CZ ARG A 21 -6.806 -4.425 7.265 1.00 0.00 C ATOM 281 NH1 ARG A 21 -6.883 -5.745 7.478 1.00 0.00 N ATOM 282 NH2 ARG A 21 -7.927 -3.698 7.151 1.00 0.00 N ATOM 0 H ARG A 21 -0.408 -5.338 5.941 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.082 -6.364 5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.379 -3.510 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.954 -4.278 4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.285 -3.831 7.153 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.479 -2.682 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.398 -5.531 6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.066 -4.694 8.331 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.587 -2.823 7.009 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.030 -6.298 7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.794 -6.198 7.551 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.869 -2.692 6.991 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.838 -4.151 7.224 1.00 0.00 H new ATOM 293 N PRO A 22 -2.005 -7.015 3.179 1.00 0.00 N ATOM 294 CA PRO A 22 -1.469 -7.368 1.875 1.00 0.00 C ATOM 295 C PRO A 22 -2.168 -6.583 0.763 1.00 0.00 C ATOM 296 O PRO A 22 -3.393 -6.468 0.755 1.00 0.00 O ATOM 297 CB PRO A 22 -1.672 -8.870 1.760 1.00 0.00 C ATOM 298 CG PRO A 22 -2.728 -9.228 2.794 1.00 0.00 C ATOM 299 CD PRO A 22 -2.882 -8.041 3.732 1.00 0.00 C ATOM 0 HA PRO A 22 -0.414 -7.113 1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.999 -9.144 0.757 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.742 -9.406 1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.677 -9.456 2.308 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.432 -10.118 3.350 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.916 -7.699 3.771 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.594 -8.301 4.750 1.00 0.00 H new ATOM 304 N LEU A 23 -1.359 -6.062 -0.147 1.00 0.00 N ATOM 305 CA LEU A 23 -1.885 -5.291 -1.261 1.00 0.00 C ATOM 306 C LEU A 23 -1.071 -5.601 -2.520 1.00 0.00 C ATOM 307 O LEU A 23 0.006 -6.189 -2.438 1.00 0.00 O ATOM 308 CB LEU A 23 -1.928 -3.802 -0.909 1.00 0.00 C ATOM 309 CG LEU A 23 -2.438 -3.459 0.492 1.00 0.00 C ATOM 310 CD1 LEU A 23 -1.276 -3.159 1.440 1.00 0.00 C ATOM 311 CD2 LEU A 23 -3.449 -2.312 0.442 1.00 0.00 C ATOM 0 H LEU A 23 -0.344 -6.158 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.916 -5.577 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.923 -3.394 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.559 -3.295 -1.638 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.960 -4.330 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.666 -2.918 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.628 -4.032 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.705 -2.312 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.796 -2.088 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.975 -1.427 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.298 -2.602 -0.177 1.00 0.00 H new ATOM 322 N CYS A 24 -1.619 -5.192 -3.655 1.00 0.00 N ATOM 323 CA CYS A 24 -0.958 -5.420 -4.928 1.00 0.00 C ATOM 324 C CYS A 24 -0.829 -4.077 -5.650 1.00 0.00 C ATOM 325 O CYS A 24 -1.739 -3.250 -5.598 1.00 0.00 O ATOM 326 CB CYS A 24 -1.703 -6.453 -5.777 1.00 0.00 C ATOM 327 SG CYS A 24 -1.141 -6.569 -7.514 1.00 0.00 S ATOM 0 H CYS A 24 -2.513 -4.704 -3.719 1.00 0.00 H new ATOM 0 HA CYS A 24 0.034 -5.836 -4.754 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.596 -7.432 -5.309 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.766 -6.210 -5.769 1.00 0.00 H new ATOM 331 N GLY A 25 0.309 -3.899 -6.305 1.00 0.00 N ATOM 332 CA GLY A 25 0.568 -2.670 -7.035 1.00 0.00 C ATOM 333 C GLY A 25 0.406 -2.883 -8.541 1.00 0.00 C ATOM 334 O GLY A 25 0.288 -4.017 -9.003 1.00 0.00 O ATOM 0 H GLY A 25 1.062 -4.586 -6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.117 -1.892 -6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.578 -2.321 -6.820 1.00 0.00 H new ATOM 338 N SER A 26 0.406 -1.773 -9.266 1.00 0.00 N ATOM 339 CA SER A 26 0.260 -1.824 -10.712 1.00 0.00 C ATOM 340 C SER A 26 1.498 -2.469 -11.340 1.00 0.00 C ATOM 341 O SER A 26 1.461 -2.894 -12.493 1.00 0.00 O ATOM 342 CB SER A 26 0.037 -0.426 -11.292 1.00 0.00 C ATOM 343 OG SER A 26 0.597 -0.293 -12.595 1.00 0.00 O ATOM 0 H SER A 26 0.505 -0.834 -8.880 1.00 0.00 H new ATOM 0 HA SER A 26 -0.616 -2.429 -10.947 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.032 -0.217 -11.334 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.481 0.317 -10.629 1.00 0.00 H new ATOM 0 HG SER A 26 0.432 0.613 -12.931 1.00 0.00 H new ATOM 348 N ASP A 27 2.562 -2.521 -10.553 1.00 0.00 N ATOM 349 CA ASP A 27 3.808 -3.106 -11.019 1.00 0.00 C ATOM 350 C ASP A 27 3.910 -4.546 -10.513 1.00 0.00 C ATOM 351 O ASP A 27 4.971 -5.162 -10.593 1.00 0.00 O ATOM 352 CB ASP A 27 5.014 -2.330 -10.484 1.00 0.00 C ATOM 353 CG ASP A 27 4.674 -1.175 -9.541 1.00 0.00 C ATOM 354 OD1 ASP A 27 3.926 -0.254 -9.902 1.00 0.00 O ATOM 355 OD2 ASP A 27 5.220 -1.246 -8.374 1.00 0.00 O ATOM 0 H ASP A 27 2.587 -2.168 -9.596 1.00 0.00 H new ATOM 0 HA ASP A 27 3.811 -3.071 -12.108 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.671 -3.025 -9.961 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.577 -1.935 -11.330 1.00 0.00 H new ATOM 360 N ASN A 28 2.791 -5.041 -10.004 1.00 0.00 N ATOM 361 CA ASN A 28 2.741 -6.398 -9.486 1.00 0.00 C ATOM 362 C ASN A 28 3.513 -6.464 -8.166 1.00 0.00 C ATOM 363 O ASN A 28 4.086 -7.498 -7.829 1.00 0.00 O ATOM 364 CB ASN A 28 3.386 -7.384 -10.461 1.00 0.00 C ATOM 365 CG ASN A 28 2.701 -8.750 -10.391 1.00 0.00 C ATOM 366 OD1 ASN A 28 1.537 -8.908 -10.720 1.00 0.00 O ATOM 367 ND2 ASN A 28 3.487 -9.727 -9.945 1.00 0.00 N ATOM 0 H ASN A 28 1.912 -4.527 -9.939 1.00 0.00 H new ATOM 0 HA ASN A 28 1.694 -6.666 -9.343 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.322 -6.992 -11.476 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.445 -7.492 -10.228 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.123 -10.676 -9.862 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.453 -9.526 -9.686 1.00 0.00 H new ATOM 373 N LYS A 29 3.504 -5.345 -7.455 1.00 0.00 N ATOM 374 CA LYS A 29 4.196 -5.264 -6.181 1.00 0.00 C ATOM 375 C LYS A 29 3.277 -5.780 -5.072 1.00 0.00 C ATOM 376 O LYS A 29 2.150 -5.310 -4.925 1.00 0.00 O ATOM 377 CB LYS A 29 4.710 -3.842 -5.941 1.00 0.00 C ATOM 378 CG LYS A 29 6.143 -3.683 -6.456 1.00 0.00 C ATOM 379 CD LYS A 29 7.156 -3.887 -5.328 1.00 0.00 C ATOM 380 CE LYS A 29 8.589 -3.760 -5.849 1.00 0.00 C ATOM 381 NZ LYS A 29 9.122 -2.406 -5.579 1.00 0.00 N ATOM 0 H LYS A 29 3.028 -4.488 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 29 5.079 -5.902 -6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.058 -3.126 -6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.675 -3.614 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.329 -4.404 -7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.270 -2.691 -6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.984 -3.151 -4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.014 -4.870 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.223 -4.508 -5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.611 -3.959 -6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.095 -2.338 -5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.527 -1.698 -6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.119 -2.230 -4.554 1.00 0.00 H new ATOM 391 N THR A 30 3.793 -6.741 -4.320 1.00 0.00 N ATOM 392 CA THR A 30 3.034 -7.326 -3.228 1.00 0.00 C ATOM 393 C THR A 30 3.397 -6.653 -1.903 1.00 0.00 C ATOM 394 O THR A 30 4.451 -6.926 -1.333 1.00 0.00 O ATOM 395 CB THR A 30 3.286 -8.835 -3.232 1.00 0.00 C ATOM 396 OG1 THR A 30 2.329 -9.345 -4.155 1.00 0.00 O ATOM 397 CG2 THR A 30 2.912 -9.495 -1.904 1.00 0.00 C ATOM 0 H THR A 30 4.728 -7.129 -4.446 1.00 0.00 H new ATOM 0 HA THR A 30 1.965 -7.160 -3.357 1.00 0.00 H new ATOM 0 HB THR A 30 4.337 -9.026 -3.449 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.424 -10.318 -4.220 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.110 -10.565 -1.961 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.505 -9.058 -1.101 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.853 -9.333 -1.702 1.00 0.00 H new ATOM 405 N TYR A 31 2.502 -5.785 -1.453 1.00 0.00 N ATOM 406 CA TYR A 31 2.715 -5.070 -0.206 1.00 0.00 C ATOM 407 C TYR A 31 2.209 -5.884 0.986 1.00 0.00 C ATOM 408 O TYR A 31 1.403 -6.798 0.821 1.00 0.00 O ATOM 409 CB TYR A 31 1.896 -3.782 -0.313 1.00 0.00 C ATOM 410 CG TYR A 31 2.143 -2.993 -1.600 1.00 0.00 C ATOM 411 CD1 TYR A 31 3.276 -2.215 -1.726 1.00 0.00 C ATOM 412 CD2 TYR A 31 1.232 -3.059 -2.635 1.00 0.00 C ATOM 413 CE1 TYR A 31 3.508 -1.472 -2.938 1.00 0.00 C ATOM 414 CE2 TYR A 31 1.465 -2.315 -3.847 1.00 0.00 C ATOM 415 CZ TYR A 31 2.591 -1.559 -3.938 1.00 0.00 C ATOM 416 OH TYR A 31 2.810 -0.858 -5.082 1.00 0.00 O ATOM 0 H TYR A 31 1.628 -5.561 -1.930 1.00 0.00 H new ATOM 0 HA TYR A 31 3.777 -4.879 -0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.837 -4.031 -0.249 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.126 -3.145 0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.989 -2.163 -0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.345 -3.668 -2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.391 -0.860 -3.050 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.761 -2.357 -4.665 1.00 0.00 H new ATOM 0 HH TYR A 31 3.714 -1.044 -5.412 1.00 0.00 H new ATOM 425 N GLY A 32 2.704 -5.523 2.161 1.00 0.00 N ATOM 426 CA GLY A 32 2.312 -6.210 3.381 1.00 0.00 C ATOM 427 C GLY A 32 1.713 -5.231 4.392 1.00 0.00 C ATOM 428 O GLY A 32 1.281 -5.633 5.471 1.00 0.00 O ATOM 0 H GLY A 32 3.373 -4.764 2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.585 -6.988 3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.179 -6.705 3.818 1.00 0.00 H new ATOM 432 N ASN A 33 1.704 -3.963 4.007 1.00 0.00 N ATOM 433 CA ASN A 33 1.164 -2.923 4.866 1.00 0.00 C ATOM 434 C ASN A 33 0.885 -1.671 4.032 1.00 0.00 C ATOM 435 O ASN A 33 1.448 -1.504 2.951 1.00 0.00 O ATOM 436 CB ASN A 33 2.159 -2.546 5.966 1.00 0.00 C ATOM 437 CG ASN A 33 3.069 -3.727 6.311 1.00 0.00 C ATOM 438 OD1 ASN A 33 3.846 -4.202 5.499 1.00 0.00 O ATOM 439 ND2 ASN A 33 2.930 -4.171 7.556 1.00 0.00 N ATOM 0 H ASN A 33 2.062 -3.632 3.111 1.00 0.00 H new ATOM 0 HA ASN A 33 0.249 -3.303 5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.764 -1.700 5.640 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.618 -2.227 6.857 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.493 -4.956 7.883 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.260 -3.727 8.184 1.00 0.00 H new ATOM 445 N LYS A 34 0.017 -0.824 4.565 1.00 0.00 N ATOM 446 CA LYS A 34 -0.343 0.407 3.883 1.00 0.00 C ATOM 447 C LYS A 34 0.857 1.357 3.887 1.00 0.00 C ATOM 448 O LYS A 34 1.163 1.979 2.871 1.00 0.00 O ATOM 449 CB LYS A 34 -1.607 1.011 4.499 1.00 0.00 C ATOM 450 CG LYS A 34 -2.714 -0.039 4.618 1.00 0.00 C ATOM 451 CD LYS A 34 -3.528 -0.125 3.325 1.00 0.00 C ATOM 452 CE LYS A 34 -4.497 -1.309 3.365 1.00 0.00 C ATOM 453 NZ LYS A 34 -5.705 -1.017 2.562 1.00 0.00 N ATOM 0 H LYS A 34 -0.448 -0.966 5.462 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.589 0.207 2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.378 1.416 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.954 1.842 3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.275 -1.012 4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.372 0.213 5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.085 0.801 3.179 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.855 -0.230 2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.005 -2.202 2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.781 -1.520 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.305 -1.866 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.237 -0.241 3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.424 -0.739 1.600 1.00 0.00 H new ATOM 463 N CYS A 35 1.503 1.438 5.041 1.00 0.00 N ATOM 464 CA CYS A 35 2.662 2.301 5.190 1.00 0.00 C ATOM 465 C CYS A 35 3.742 1.828 4.216 1.00 0.00 C ATOM 466 O CYS A 35 4.457 2.641 3.633 1.00 0.00 O ATOM 467 CB CYS A 35 3.166 2.327 6.634 1.00 0.00 C ATOM 468 SG CYS A 35 3.376 4.000 7.346 1.00 0.00 S ATOM 0 H CYS A 35 1.246 0.920 5.881 1.00 0.00 H new ATOM 0 HA CYS A 35 2.386 3.329 4.953 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.468 1.768 7.257 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.122 1.806 6.679 1.00 0.00 H new ATOM 472 N ASN A 36 3.827 0.513 4.070 1.00 0.00 N ATOM 473 CA ASN A 36 4.809 -0.079 3.177 1.00 0.00 C ATOM 474 C ASN A 36 4.465 0.289 1.733 1.00 0.00 C ATOM 475 O ASN A 36 5.357 0.516 0.917 1.00 0.00 O ATOM 476 CB ASN A 36 4.807 -1.604 3.290 1.00 0.00 C ATOM 477 CG ASN A 36 6.068 -2.104 3.997 1.00 0.00 C ATOM 478 OD1 ASN A 36 7.101 -2.337 3.388 1.00 0.00 O ATOM 479 ND2 ASN A 36 5.929 -2.256 5.310 1.00 0.00 N ATOM 0 H ASN A 36 3.232 -0.159 4.555 1.00 0.00 H new ATOM 0 HA ASN A 36 5.792 0.302 3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.924 -1.930 3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.744 -2.046 2.295 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.714 -2.586 5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.037 -2.043 5.756 1.00 0.00 H new ATOM 485 N PHE A 37 3.169 0.337 1.460 1.00 0.00 N ATOM 486 CA PHE A 37 2.697 0.674 0.129 1.00 0.00 C ATOM 487 C PHE A 37 3.009 2.132 -0.212 1.00 0.00 C ATOM 488 O PHE A 37 3.547 2.423 -1.279 1.00 0.00 O ATOM 489 CB PHE A 37 1.179 0.476 0.129 1.00 0.00 C ATOM 490 CG PHE A 37 0.515 0.747 -1.223 1.00 0.00 C ATOM 491 CD1 PHE A 37 0.412 2.021 -1.687 1.00 0.00 C ATOM 492 CD2 PHE A 37 0.030 -0.287 -1.960 1.00 0.00 C ATOM 493 CE1 PHE A 37 -0.204 2.271 -2.941 1.00 0.00 C ATOM 494 CE2 PHE A 37 -0.586 -0.036 -3.215 1.00 0.00 C ATOM 495 CZ PHE A 37 -0.689 1.238 -3.679 1.00 0.00 C ATOM 0 H PHE A 37 2.432 0.148 2.139 1.00 0.00 H new ATOM 0 HA PHE A 37 3.190 0.043 -0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.957 -0.547 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.737 1.134 0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.799 2.842 -1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.113 -1.299 -1.592 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.287 3.283 -3.309 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.973 -0.857 -3.801 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.156 1.429 -4.634 1.00 0.00 H new ATOM 504 N CYS A 38 2.657 3.012 0.715 1.00 0.00 N ATOM 505 CA CYS A 38 2.893 4.432 0.526 1.00 0.00 C ATOM 506 C CYS A 38 4.404 4.663 0.457 1.00 0.00 C ATOM 507 O CYS A 38 4.866 5.575 -0.228 1.00 0.00 O ATOM 508 CB CYS A 38 2.239 5.266 1.630 1.00 0.00 C ATOM 509 SG CYS A 38 0.411 5.201 1.658 1.00 0.00 S ATOM 0 H CYS A 38 2.210 2.768 1.599 1.00 0.00 H new ATOM 0 HA CYS A 38 2.433 4.758 -0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.616 4.926 2.595 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.550 6.304 1.515 1.00 0.00 H new ATOM 513 N ASN A 39 5.133 3.822 1.176 1.00 0.00 N ATOM 514 CA ASN A 39 6.582 3.924 1.204 1.00 0.00 C ATOM 515 C ASN A 39 7.131 3.711 -0.207 1.00 0.00 C ATOM 516 O ASN A 39 8.012 4.446 -0.652 1.00 0.00 O ATOM 517 CB ASN A 39 7.191 2.854 2.114 1.00 0.00 C ATOM 518 CG ASN A 39 8.717 2.846 2.005 1.00 0.00 C ATOM 519 OD1 ASN A 39 9.328 3.726 1.422 1.00 0.00 O ATOM 520 ND2 ASN A 39 9.295 1.806 2.599 1.00 0.00 N ATOM 0 H ASN A 39 4.747 3.067 1.743 1.00 0.00 H new ATOM 0 HA ASN A 39 6.844 4.912 1.582 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.898 3.040 3.147 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.798 1.874 1.843 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.310 1.710 2.584 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.723 1.105 3.070 1.00 0.00 H new ATOM 526 N ALA A 40 6.590 2.702 -0.874 1.00 0.00 N ATOM 527 CA ALA A 40 7.015 2.384 -2.227 1.00 0.00 C ATOM 528 C ALA A 40 6.460 3.434 -3.190 1.00 0.00 C ATOM 529 O ALA A 40 7.123 3.804 -4.159 1.00 0.00 O ATOM 530 CB ALA A 40 6.561 0.967 -2.584 1.00 0.00 C ATOM 0 H ALA A 40 5.861 2.094 -0.502 1.00 0.00 H new ATOM 0 HA ALA A 40 8.102 2.407 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.879 0.728 -3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.005 0.256 -1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.475 0.906 -2.521 1.00 0.00 H new ATOM 536 N VAL A 41 5.250 3.885 -2.893 1.00 0.00 N ATOM 537 CA VAL A 41 4.600 4.885 -3.722 1.00 0.00 C ATOM 538 C VAL A 41 5.443 6.162 -3.729 1.00 0.00 C ATOM 539 O VAL A 41 5.710 6.728 -4.788 1.00 0.00 O ATOM 540 CB VAL A 41 3.167 5.117 -3.235 1.00 0.00 C ATOM 541 CG1 VAL A 41 2.586 6.399 -3.832 1.00 0.00 C ATOM 542 CG2 VAL A 41 2.279 3.912 -3.553 1.00 0.00 C ATOM 0 H VAL A 41 4.703 3.576 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 41 4.527 4.538 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 41 3.196 5.236 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.568 6.540 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.198 7.250 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.577 6.323 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.267 4.102 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.260 3.748 -4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.677 3.026 -3.058 1.00 0.00 H new ATOM 552 N VAL A 42 5.837 6.579 -2.534 1.00 0.00 N ATOM 553 CA VAL A 42 6.645 7.779 -2.390 1.00 0.00 C ATOM 554 C VAL A 42 7.971 7.589 -3.128 1.00 0.00 C ATOM 555 O VAL A 42 8.533 8.545 -3.658 1.00 0.00 O ATOM 556 CB VAL A 42 6.827 8.111 -0.907 1.00 0.00 C ATOM 557 CG1 VAL A 42 8.274 7.876 -0.467 1.00 0.00 C ATOM 558 CG2 VAL A 42 6.388 9.545 -0.609 1.00 0.00 C ATOM 0 H VAL A 42 5.612 6.108 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 42 6.143 8.634 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 42 6.189 7.440 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.377 8.119 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.537 6.830 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.940 8.511 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.528 9.755 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.987 10.239 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.336 9.664 -0.867 1.00 0.00 H new ATOM 568 N GLU A 43 8.433 6.346 -3.138 1.00 0.00 N ATOM 569 CA GLU A 43 9.682 6.018 -3.802 1.00 0.00 C ATOM 570 C GLU A 43 9.488 5.996 -5.320 1.00 0.00 C ATOM 571 O GLU A 43 10.457 6.048 -6.075 1.00 0.00 O ATOM 572 CB GLU A 43 10.236 4.683 -3.299 1.00 0.00 C ATOM 573 CG GLU A 43 11.689 4.491 -3.741 1.00 0.00 C ATOM 574 CD GLU A 43 12.283 3.219 -3.132 1.00 0.00 C ATOM 575 OE1 GLU A 43 12.973 3.288 -2.104 1.00 0.00 O ATOM 576 OE2 GLU A 43 12.004 2.130 -3.764 1.00 0.00 O ATOM 0 H GLU A 43 7.964 5.555 -2.697 1.00 0.00 H new ATOM 0 HA GLU A 43 10.412 6.790 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.175 4.647 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.625 3.865 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.738 4.435 -4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.282 5.354 -3.439 1.00 0.00 H new ATOM 582 N SER A 44 8.228 5.917 -5.721 1.00 0.00 N ATOM 583 CA SER A 44 7.893 5.887 -7.134 1.00 0.00 C ATOM 584 C SER A 44 7.392 7.261 -7.582 1.00 0.00 C ATOM 585 O SER A 44 6.699 7.373 -8.593 1.00 0.00 O ATOM 586 CB SER A 44 6.840 4.816 -7.428 1.00 0.00 C ATOM 587 OG SER A 44 6.116 4.444 -6.259 1.00 0.00 O ATOM 0 H SER A 44 7.427 5.873 -5.092 1.00 0.00 H new ATOM 0 HA SER A 44 8.794 5.635 -7.694 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.146 5.188 -8.182 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.326 3.936 -7.849 1.00 0.00 H new ATOM 0 HG SER A 44 6.681 3.880 -5.690 1.00 0.00 H new ATOM 592 N ASN A 45 7.761 8.271 -6.810 1.00 0.00 N ATOM 593 CA ASN A 45 7.357 9.633 -7.115 1.00 0.00 C ATOM 594 C ASN A 45 5.846 9.770 -6.917 1.00 0.00 C ATOM 595 O ASN A 45 5.256 10.780 -7.294 1.00 0.00 O ATOM 596 CB ASN A 45 7.677 9.990 -8.568 1.00 0.00 C ATOM 597 CG ASN A 45 9.080 9.515 -8.954 1.00 0.00 C ATOM 598 OD1 ASN A 45 9.371 8.331 -9.001 1.00 0.00 O ATOM 599 ND2 ASN A 45 9.929 10.501 -9.226 1.00 0.00 N ATOM 0 H ASN A 45 8.336 8.174 -5.973 1.00 0.00 H new ATOM 0 HA ASN A 45 7.902 10.303 -6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.940 9.534 -9.229 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.604 11.069 -8.706 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.890 10.287 -9.493 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.620 11.471 -9.167 1.00 0.00 H new ATOM 605 N GLY A 46 5.264 8.737 -6.324 1.00 0.00 N ATOM 606 CA GLY A 46 3.833 8.730 -6.070 1.00 0.00 C ATOM 607 C GLY A 46 3.059 8.283 -7.312 1.00 0.00 C ATOM 608 O GLY A 46 1.859 8.529 -7.422 1.00 0.00 O ATOM 0 H GLY A 46 5.757 7.900 -6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.611 8.062 -5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.508 9.727 -5.773 1.00 0.00 H new ATOM 612 N THR A 47 3.778 7.635 -8.217 1.00 0.00 N ATOM 613 CA THR A 47 3.174 7.152 -9.447 1.00 0.00 C ATOM 614 C THR A 47 2.550 5.772 -9.229 1.00 0.00 C ATOM 615 O THR A 47 1.414 5.529 -9.633 1.00 0.00 O ATOM 616 CB THR A 47 4.244 7.170 -10.539 1.00 0.00 C ATOM 617 OG1 THR A 47 5.217 6.233 -10.086 1.00 0.00 O ATOM 618 CG2 THR A 47 5.003 8.497 -10.594 1.00 0.00 C ATOM 0 H THR A 47 4.773 7.433 -8.123 1.00 0.00 H new ATOM 0 HA THR A 47 2.355 7.797 -9.765 1.00 0.00 H new ATOM 0 HB THR A 47 3.779 6.978 -11.506 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.037 6.708 -9.836 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.751 8.456 -11.386 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.304 9.308 -10.797 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.496 8.674 -9.638 1.00 0.00 H new ATOM 626 N LEU A 48 3.322 4.904 -8.591 1.00 0.00 N ATOM 627 CA LEU A 48 2.860 3.554 -8.314 1.00 0.00 C ATOM 628 C LEU A 48 1.380 3.596 -7.928 1.00 0.00 C ATOM 629 O LEU A 48 0.917 4.566 -7.331 1.00 0.00 O ATOM 630 CB LEU A 48 3.751 2.887 -7.265 1.00 0.00 C ATOM 631 CG LEU A 48 3.097 1.779 -6.437 1.00 0.00 C ATOM 632 CD1 LEU A 48 2.866 0.526 -7.284 1.00 0.00 C ATOM 633 CD2 LEU A 48 3.917 1.478 -5.180 1.00 0.00 C ATOM 0 H LEU A 48 4.264 5.109 -8.258 1.00 0.00 H new ATOM 0 HA LEU A 48 2.940 2.933 -9.206 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.623 2.470 -7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.115 3.656 -6.584 1.00 0.00 H new ATOM 0 HG LEU A 48 2.119 2.130 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.400 -0.246 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.212 0.769 -8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.821 0.162 -7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.431 0.687 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.918 1.155 -5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.987 2.377 -4.568 1.00 0.00 H new ATOM 644 N THR A 49 0.678 2.530 -8.287 1.00 0.00 N ATOM 645 CA THR A 49 -0.741 2.433 -7.985 1.00 0.00 C ATOM 646 C THR A 49 -1.055 1.085 -7.332 1.00 0.00 C ATOM 647 O THR A 49 -0.180 0.229 -7.214 1.00 0.00 O ATOM 648 CB THR A 49 -1.517 2.676 -9.280 1.00 0.00 C ATOM 649 OG1 THR A 49 -1.276 1.505 -10.055 1.00 0.00 O ATOM 650 CG2 THR A 49 -0.918 3.807 -10.119 1.00 0.00 C ATOM 0 H THR A 49 1.065 1.727 -8.783 1.00 0.00 H new ATOM 0 HA THR A 49 -1.045 3.189 -7.261 1.00 0.00 H new ATOM 0 HB THR A 49 -2.554 2.911 -9.042 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.664 1.618 -10.948 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.507 3.938 -11.027 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.929 4.732 -9.543 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.109 3.558 -10.386 1.00 0.00 H new ATOM 658 N LEU A 50 -2.307 0.940 -6.924 1.00 0.00 N ATOM 659 CA LEU A 50 -2.748 -0.288 -6.285 1.00 0.00 C ATOM 660 C LEU A 50 -3.562 -1.113 -7.284 1.00 0.00 C ATOM 661 O LEU A 50 -4.709 -0.780 -7.581 1.00 0.00 O ATOM 662 CB LEU A 50 -3.498 0.021 -4.987 1.00 0.00 C ATOM 663 CG LEU A 50 -4.310 -1.130 -4.390 1.00 0.00 C ATOM 664 CD1 LEU A 50 -3.492 -1.894 -3.348 1.00 0.00 C ATOM 665 CD2 LEU A 50 -5.638 -0.627 -3.821 1.00 0.00 C ATOM 0 H LEU A 50 -3.030 1.653 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.891 -0.894 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.774 0.353 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.172 0.858 -5.171 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.548 -1.831 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.092 -2.707 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.597 -2.304 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.203 -1.217 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.195 -1.465 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.444 0.106 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.222 -0.163 -4.616 1.00 0.00 H new ATOM 676 N SER A 51 -2.939 -2.174 -7.774 1.00 0.00 N ATOM 677 CA SER A 51 -3.591 -3.049 -8.733 1.00 0.00 C ATOM 678 C SER A 51 -4.869 -3.631 -8.126 1.00 0.00 C ATOM 679 O SER A 51 -5.897 -3.713 -8.796 1.00 0.00 O ATOM 680 CB SER A 51 -2.655 -4.174 -9.177 1.00 0.00 C ATOM 681 OG SER A 51 -2.149 -3.961 -10.493 1.00 0.00 O ATOM 0 H SER A 51 -1.989 -2.448 -7.525 1.00 0.00 H new ATOM 0 HA SER A 51 -3.850 -2.460 -9.613 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.823 -4.251 -8.477 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.189 -5.124 -9.143 1.00 0.00 H new ATOM 0 HG SER A 51 -1.554 -4.700 -10.738 1.00 0.00 H new ATOM 686 N HIS A 52 -4.763 -4.019 -6.864 1.00 0.00 N ATOM 687 CA HIS A 52 -5.897 -4.590 -6.158 1.00 0.00 C ATOM 688 C HIS A 52 -5.531 -4.808 -4.688 1.00 0.00 C ATOM 689 O HIS A 52 -4.409 -4.523 -4.276 1.00 0.00 O ATOM 690 CB HIS A 52 -6.376 -5.870 -6.846 1.00 0.00 C ATOM 691 CG HIS A 52 -5.444 -7.045 -6.673 1.00 0.00 C ATOM 692 ND1 HIS A 52 -4.281 -7.195 -7.408 1.00 0.00 N ATOM 693 CD2 HIS A 52 -5.515 -8.124 -5.841 1.00 0.00 C ATOM 694 CE1 HIS A 52 -3.687 -8.316 -7.029 1.00 0.00 C ATOM 695 NE2 HIS A 52 -4.453 -8.891 -6.058 1.00 0.00 N ATOM 0 H HIS A 52 -3.908 -3.949 -6.312 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.736 -3.895 -6.188 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.357 -6.136 -6.453 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.502 -5.673 -7.911 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.301 -8.321 -5.127 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -2.759 -8.706 -7.420 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -4.244 -9.766 -5.578 1.00 0.00 H new ATOM 703 N PHE A 53 -6.501 -5.310 -3.939 1.00 0.00 N ATOM 704 CA PHE A 53 -6.296 -5.569 -2.523 1.00 0.00 C ATOM 705 C PHE A 53 -5.656 -6.941 -2.305 1.00 0.00 C ATOM 706 O PHE A 53 -5.376 -7.660 -3.263 1.00 0.00 O ATOM 707 CB PHE A 53 -7.675 -5.551 -1.861 1.00 0.00 C ATOM 708 CG PHE A 53 -8.010 -4.234 -1.159 1.00 0.00 C ATOM 709 CD1 PHE A 53 -8.191 -3.102 -1.890 1.00 0.00 C ATOM 710 CD2 PHE A 53 -8.128 -4.195 0.195 1.00 0.00 C ATOM 711 CE1 PHE A 53 -8.504 -1.878 -1.239 1.00 0.00 C ATOM 712 CE2 PHE A 53 -8.440 -2.972 0.846 1.00 0.00 C ATOM 713 CZ PHE A 53 -8.621 -1.839 0.115 1.00 0.00 C ATOM 0 H PHE A 53 -7.431 -5.545 -4.285 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.632 -4.816 -2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.433 -5.750 -2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -7.729 -6.362 -1.135 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.097 -3.133 -2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.984 -5.094 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.649 -0.979 -1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.534 -2.941 1.922 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.858 -0.909 0.610 1.00 0.00 H new ATOM 722 N GLY A 54 -5.442 -7.264 -1.037 1.00 0.00 N ATOM 723 CA GLY A 54 -4.840 -8.537 -0.681 1.00 0.00 C ATOM 724 C GLY A 54 -3.489 -8.720 -1.376 1.00 0.00 C ATOM 725 O GLY A 54 -2.900 -7.753 -1.859 1.00 0.00 O ATOM 0 H GLY A 54 -5.675 -6.666 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.707 -8.591 0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.510 -9.350 -0.960 1.00 0.00 H new ATOM 729 N LYS A 55 -3.036 -9.964 -1.404 1.00 0.00 N ATOM 730 CA LYS A 55 -1.766 -10.284 -2.032 1.00 0.00 C ATOM 731 C LYS A 55 -1.913 -10.184 -3.552 1.00 0.00 C ATOM 732 O LYS A 55 -3.028 -10.141 -4.070 1.00 0.00 O ATOM 733 CB LYS A 55 -1.259 -11.646 -1.552 1.00 0.00 C ATOM 734 CG LYS A 55 -2.075 -12.784 -2.170 1.00 0.00 C ATOM 735 CD LYS A 55 -1.753 -14.118 -1.496 1.00 0.00 C ATOM 736 CE LYS A 55 -2.571 -14.298 -0.214 1.00 0.00 C ATOM 737 NZ LYS A 55 -2.684 -15.732 0.133 1.00 0.00 N ATOM 0 H LYS A 55 -3.526 -10.763 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.003 -9.563 -1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.208 -11.761 -1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.320 -11.698 -0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.139 -12.569 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.862 -12.851 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.964 -14.937 -2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.689 -14.164 -1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.098 -13.756 0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.565 -13.871 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.242 -15.835 1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.155 -16.241 -0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.734 -16.129 0.281 1.00 0.00 H new ATOM 747 N CYS A 56 -0.772 -10.150 -4.223 1.00 0.00 N ATOM 748 CA CYS A 56 -0.760 -10.056 -5.673 1.00 0.00 C ATOM 749 C CYS A 56 -0.730 -11.473 -6.247 1.00 0.00 C ATOM 750 O CYS A 56 0.115 -11.792 -7.082 1.00 0.00 O ATOM 751 CB CYS A 56 0.415 -9.212 -6.175 1.00 0.00 C ATOM 752 SG CYS A 56 0.081 -8.267 -7.706 1.00 0.00 S ATOM 0 H CYS A 56 0.151 -10.186 -3.790 1.00 0.00 H new ATOM 0 HA CYS A 56 -1.661 -9.547 -6.014 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.705 -8.514 -5.390 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.268 -9.868 -6.348 1.00 0.00 H new TER 756 CYS A 56