USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 8 TYR OH : rot -157:sc= -0.729 USER MOD Set 1.2: A 11 TYR OH : rot 2:sc= -0.975 USER MOD Single : A 3 LYS NZ :NH3+ 156:sc= -1.36 (180deg=-2.23) USER MOD Single : A 5 LYS NZ :NH3+ -129:sc= -0.756 (180deg=-1.92!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.358 K(o=-0.36,f=-1.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.147) USER MOD Single : A 17 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.6!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 21 GLN : amide:sc= -3.96! C(o=-4!,f=-9.2!) USER MOD Single : A 23 ASN : amide:sc= -2.46! C(o=-2.5!,f=-9.2!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -2.41! K(o=-2.4!,f=-1.4) USER MOD Single : A 34 SER OG : rot 180:sc= -0.499 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -155:sc= -1.05 (180deg=-1.86) USER MOD Single : A 44 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.5!) USER MOD Single : A 46 GLN : amide:sc= -1.13 K(o=-1.1,f=-4.4!) USER MOD Single : A 51 TYR OH : rot 60:sc= -3.26 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 90.623 -9.276 -53.094 1.00 0.00 N ATOM 2 CA ASP A 2 91.332 -10.370 -52.439 1.00 0.00 C ATOM 3 C ASP A 2 90.515 -11.657 -52.513 1.00 0.00 C ATOM 4 O ASP A 2 89.613 -11.879 -51.706 1.00 0.00 O ATOM 5 CB ASP A 2 91.599 -10.017 -50.975 1.00 0.00 C ATOM 6 CG ASP A 2 92.634 -8.900 -50.889 1.00 0.00 C ATOM 7 OD1 ASP A 2 93.238 -8.599 -51.905 1.00 0.00 O ATOM 8 OD2 ASP A 2 92.807 -8.362 -49.807 1.00 0.00 O ATOM 0 HA ASP A 2 92.280 -10.524 -52.954 1.00 0.00 H new ATOM 0 HB2 ASP A 2 90.673 -9.704 -50.493 1.00 0.00 H new ATOM 0 HB3 ASP A 2 91.956 -10.897 -50.439 1.00 0.00 H new ATOM 13 N LYS A 3 90.840 -12.501 -53.487 1.00 0.00 N ATOM 14 CA LYS A 3 90.128 -13.763 -53.659 1.00 0.00 C ATOM 15 C LYS A 3 90.298 -14.648 -52.428 1.00 0.00 C ATOM 16 O LYS A 3 89.537 -15.594 -52.222 1.00 0.00 O ATOM 17 CB LYS A 3 90.658 -14.494 -54.894 1.00 0.00 C ATOM 18 CG LYS A 3 90.325 -13.686 -56.149 1.00 0.00 C ATOM 19 CD LYS A 3 91.018 -14.316 -57.359 1.00 0.00 C ATOM 20 CE LYS A 3 90.546 -15.761 -57.523 1.00 0.00 C ATOM 21 NZ LYS A 3 89.096 -15.852 -57.189 1.00 0.00 N ATOM 0 H LYS A 3 91.585 -12.337 -54.164 1.00 0.00 H new ATOM 0 HA LYS A 3 89.068 -13.547 -53.791 1.00 0.00 H new ATOM 0 HB2 LYS A 3 91.736 -14.632 -54.813 1.00 0.00 H new ATOM 0 HB3 LYS A 3 90.214 -15.487 -54.960 1.00 0.00 H new ATOM 0 HG2 LYS A 3 89.246 -13.664 -56.305 1.00 0.00 H new ATOM 0 HG3 LYS A 3 90.651 -12.653 -56.027 1.00 0.00 H new ATOM 0 HD2 LYS A 3 90.792 -13.744 -58.259 1.00 0.00 H new ATOM 0 HD3 LYS A 3 92.100 -14.288 -57.227 1.00 0.00 H new ATOM 0 HE2 LYS A 3 90.716 -16.096 -58.546 1.00 0.00 H new ATOM 0 HE3 LYS A 3 91.122 -16.419 -56.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 88.681 -16.678 -57.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 88.982 -15.952 -56.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 88.611 -14.989 -57.508 1.00 0.00 H new ATOM 35 N CYS A 4 91.301 -14.336 -51.613 1.00 0.00 N ATOM 36 CA CYS A 4 91.565 -15.114 -50.409 1.00 0.00 C ATOM 37 C CYS A 4 90.389 -15.047 -49.442 1.00 0.00 C ATOM 38 O CYS A 4 90.129 -15.996 -48.702 1.00 0.00 O ATOM 39 CB CYS A 4 92.797 -14.561 -49.691 1.00 0.00 C ATOM 40 SG CYS A 4 94.211 -14.576 -50.820 1.00 0.00 S ATOM 0 H CYS A 4 91.940 -13.555 -51.763 1.00 0.00 H new ATOM 0 HA CYS A 4 91.727 -16.148 -50.715 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.604 -13.545 -49.346 1.00 0.00 H new ATOM 0 HB3 CYS A 4 93.017 -15.161 -48.808 1.00 0.00 H new ATOM 45 N LYS A 5 89.691 -13.916 -49.441 1.00 0.00 N ATOM 46 CA LYS A 5 88.561 -13.728 -48.540 1.00 0.00 C ATOM 47 C LYS A 5 87.351 -14.523 -49.023 1.00 0.00 C ATOM 48 O LYS A 5 86.824 -14.272 -50.106 1.00 0.00 O ATOM 49 CB LYS A 5 88.200 -12.244 -48.458 1.00 0.00 C ATOM 50 CG LYS A 5 89.482 -11.409 -48.428 1.00 0.00 C ATOM 51 CD LYS A 5 90.315 -11.799 -47.205 1.00 0.00 C ATOM 52 CE LYS A 5 91.450 -10.789 -47.018 1.00 0.00 C ATOM 53 NZ LYS A 5 90.885 -9.486 -46.565 1.00 0.00 N ATOM 0 H LYS A 5 89.886 -13.121 -50.050 1.00 0.00 H new ATOM 0 HA LYS A 5 88.845 -14.088 -47.551 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.588 -11.960 -49.314 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.607 -12.052 -47.564 1.00 0.00 H new ATOM 0 HG2 LYS A 5 90.057 -11.572 -49.340 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.237 -10.348 -48.391 1.00 0.00 H new ATOM 0 HD2 LYS A 5 89.685 -11.824 -46.316 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.723 -12.801 -47.334 1.00 0.00 H new ATOM 0 HE2 LYS A 5 92.166 -11.162 -46.285 1.00 0.00 H new ATOM 0 HE3 LYS A 5 91.992 -10.657 -47.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 91.245 -8.722 -47.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 89.847 -9.517 -46.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 91.168 -9.309 -45.580 1.00 0.00 H new ATOM 67 N LYS A 6 86.919 -15.483 -48.211 1.00 0.00 N ATOM 68 CA LYS A 6 85.759 -16.297 -48.558 1.00 0.00 C ATOM 69 C LYS A 6 84.717 -16.246 -47.445 1.00 0.00 C ATOM 70 O LYS A 6 85.054 -16.322 -46.263 1.00 0.00 O ATOM 71 CB LYS A 6 86.190 -17.747 -48.791 1.00 0.00 C ATOM 72 CG LYS A 6 87.181 -17.804 -49.954 1.00 0.00 C ATOM 73 CD LYS A 6 87.150 -19.199 -50.584 1.00 0.00 C ATOM 74 CE LYS A 6 87.591 -20.236 -49.550 1.00 0.00 C ATOM 75 NZ LYS A 6 87.663 -21.578 -50.194 1.00 0.00 N ATOM 0 H LYS A 6 87.350 -15.715 -47.316 1.00 0.00 H new ATOM 0 HA LYS A 6 85.318 -15.898 -49.471 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.649 -18.151 -47.888 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.320 -18.365 -49.010 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.926 -17.051 -50.700 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.186 -17.575 -49.600 1.00 0.00 H new ATOM 0 HD2 LYS A 6 86.145 -19.428 -50.938 1.00 0.00 H new ATOM 0 HD3 LYS A 6 87.809 -19.232 -51.452 1.00 0.00 H new ATOM 0 HE2 LYS A 6 88.564 -19.965 -49.139 1.00 0.00 H new ATOM 0 HE3 LYS A 6 86.888 -20.257 -48.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 87.963 -22.284 -49.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 86.726 -21.835 -50.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 88.350 -21.552 -50.974 1.00 0.00 H new ATOM 89 N VAL A 7 83.452 -16.115 -47.829 1.00 0.00 N ATOM 90 CA VAL A 7 82.372 -16.025 -46.852 1.00 0.00 C ATOM 91 C VAL A 7 81.509 -17.282 -46.889 1.00 0.00 C ATOM 92 O VAL A 7 81.070 -17.715 -47.954 1.00 0.00 O ATOM 93 CB VAL A 7 81.505 -14.799 -47.143 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.840 -14.956 -48.511 1.00 0.00 C ATOM 95 CG2 VAL A 7 80.425 -14.673 -46.065 1.00 0.00 C ATOM 0 H VAL A 7 83.150 -16.069 -48.802 1.00 0.00 H new ATOM 0 HA VAL A 7 82.813 -15.930 -45.860 1.00 0.00 H new ATOM 0 HB VAL A 7 82.129 -13.905 -47.143 1.00 0.00 H new ATOM 0 HG11 VAL A 7 80.222 -14.082 -48.718 1.00 0.00 H new ATOM 0 HG12 VAL A 7 81.607 -15.048 -49.280 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.216 -15.850 -48.512 1.00 0.00 H new ATOM 0 HG21 VAL A 7 79.806 -13.800 -46.271 1.00 0.00 H new ATOM 0 HG22 VAL A 7 79.803 -15.568 -46.067 1.00 0.00 H new ATOM 0 HG23 VAL A 7 80.897 -14.562 -45.089 1.00 0.00 H new ATOM 105 N TYR A 8 81.267 -17.861 -45.717 1.00 0.00 N ATOM 106 CA TYR A 8 80.402 -19.031 -45.618 1.00 0.00 C ATOM 107 C TYR A 8 79.510 -18.934 -44.384 1.00 0.00 C ATOM 108 O TYR A 8 79.994 -18.968 -43.252 1.00 0.00 O ATOM 109 CB TYR A 8 81.250 -20.302 -45.541 1.00 0.00 C ATOM 110 CG TYR A 8 81.713 -20.517 -44.119 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.913 -19.947 -43.680 1.00 0.00 C ATOM 112 CD2 TYR A 8 80.941 -21.287 -43.241 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.342 -20.146 -42.363 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.371 -21.487 -41.923 1.00 0.00 C ATOM 115 CZ TYR A 8 82.571 -20.916 -41.483 1.00 0.00 C ATOM 116 OH TYR A 8 82.994 -21.113 -40.185 1.00 0.00 O ATOM 0 H TYR A 8 81.654 -17.542 -44.829 1.00 0.00 H new ATOM 0 HA TYR A 8 79.771 -19.070 -46.506 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.669 -21.160 -45.879 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.110 -20.218 -46.205 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.508 -19.353 -44.358 1.00 0.00 H new ATOM 0 HD2 TYR A 8 80.014 -21.727 -43.580 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.268 -19.706 -42.025 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.776 -22.082 -41.246 1.00 0.00 H new ATOM 0 HH TYR A 8 82.582 -21.926 -39.826 1.00 0.00 H new ATOM 126 N GLU A 9 78.207 -18.811 -44.612 1.00 0.00 N ATOM 127 CA GLU A 9 77.263 -18.621 -43.517 1.00 0.00 C ATOM 128 C GLU A 9 77.162 -19.883 -42.665 1.00 0.00 C ATOM 129 O GLU A 9 77.852 -20.018 -41.655 1.00 0.00 O ATOM 130 CB GLU A 9 75.883 -18.266 -44.073 1.00 0.00 C ATOM 131 CG GLU A 9 75.997 -17.036 -44.975 1.00 0.00 C ATOM 132 CD GLU A 9 74.613 -16.610 -45.451 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.673 -17.354 -45.224 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.512 -15.544 -46.038 1.00 0.00 O ATOM 0 H GLU A 9 77.782 -18.839 -45.539 1.00 0.00 H new ATOM 0 HA GLU A 9 77.624 -17.805 -42.891 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.479 -19.107 -44.636 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.190 -18.068 -43.255 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.471 -16.219 -44.432 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.632 -17.260 -45.832 1.00 0.00 H new ATOM 141 N ASN A 10 76.296 -20.802 -43.078 1.00 0.00 N ATOM 142 CA ASN A 10 76.038 -22.002 -42.291 1.00 0.00 C ATOM 143 C ASN A 10 75.464 -21.629 -40.928 1.00 0.00 C ATOM 144 O ASN A 10 74.370 -22.061 -40.563 1.00 0.00 O ATOM 145 CB ASN A 10 77.333 -22.793 -42.101 1.00 0.00 C ATOM 146 CG ASN A 10 77.825 -23.317 -43.445 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.108 -23.240 -44.444 1.00 0.00 O ATOM 148 ND2 ASN A 10 79.013 -23.851 -43.532 1.00 0.00 N ATOM 0 H ASN A 10 75.765 -20.740 -43.946 1.00 0.00 H new ATOM 0 HA ASN A 10 75.314 -22.617 -42.826 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.094 -22.157 -41.648 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.164 -23.625 -41.417 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.349 -24.205 -44.428 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.606 -23.914 -42.704 1.00 0.00 H new ATOM 155 N TYR A 11 76.209 -20.820 -40.183 1.00 0.00 N ATOM 156 CA TYR A 11 75.717 -20.289 -38.917 1.00 0.00 C ATOM 157 C TYR A 11 75.717 -18.765 -38.945 1.00 0.00 C ATOM 158 O TYR A 11 76.767 -18.130 -38.848 1.00 0.00 O ATOM 159 CB TYR A 11 76.595 -20.785 -37.766 1.00 0.00 C ATOM 160 CG TYR A 11 77.998 -20.252 -37.936 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.349 -19.015 -37.386 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.948 -20.999 -38.643 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.649 -18.522 -37.543 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.249 -20.506 -38.802 1.00 0.00 C ATOM 165 CZ TYR A 11 80.599 -19.267 -38.250 1.00 0.00 C ATOM 166 OH TYR A 11 81.882 -18.783 -38.405 1.00 0.00 O ATOM 0 H TYR A 11 77.151 -20.519 -40.432 1.00 0.00 H new ATOM 0 HA TYR A 11 74.696 -20.638 -38.766 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.183 -20.456 -36.812 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.608 -21.875 -37.748 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.616 -18.440 -36.840 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.677 -21.955 -39.066 1.00 0.00 H new ATOM 0 HE1 TYR A 11 79.919 -17.566 -37.118 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.982 -21.080 -39.350 1.00 0.00 H new ATOM 0 HH TYR A 11 81.968 -17.927 -37.935 1.00 0.00 H new ATOM 176 N PRO A 12 74.561 -18.176 -39.078 1.00 0.00 N ATOM 177 CA PRO A 12 74.410 -16.701 -39.187 1.00 0.00 C ATOM 178 C PRO A 12 75.196 -15.953 -38.113 1.00 0.00 C ATOM 179 O PRO A 12 75.905 -16.563 -37.311 1.00 0.00 O ATOM 180 CB PRO A 12 72.870 -16.454 -39.045 1.00 0.00 C ATOM 181 CG PRO A 12 72.263 -17.747 -39.487 1.00 0.00 C ATOM 182 CD PRO A 12 73.260 -18.859 -39.138 1.00 0.00 C ATOM 0 HA PRO A 12 74.809 -16.327 -40.130 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.596 -16.213 -38.018 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.539 -15.622 -39.667 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.309 -17.915 -38.987 1.00 0.00 H new ATOM 0 HG3 PRO A 12 72.063 -17.732 -40.558 1.00 0.00 H new ATOM 0 HD2 PRO A 12 73.014 -19.330 -38.186 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.258 -19.646 -39.892 1.00 0.00 H new ATOM 190 N VAL A 13 75.065 -14.631 -38.106 1.00 0.00 N ATOM 191 CA VAL A 13 75.796 -13.804 -37.152 1.00 0.00 C ATOM 192 C VAL A 13 75.642 -14.354 -35.738 1.00 0.00 C ATOM 193 O VAL A 13 76.326 -13.915 -34.813 1.00 0.00 O ATOM 194 CB VAL A 13 75.275 -12.367 -37.203 1.00 0.00 C ATOM 195 CG1 VAL A 13 73.763 -12.381 -37.425 1.00 0.00 C ATOM 196 CG2 VAL A 13 75.589 -11.664 -35.881 1.00 0.00 C ATOM 0 H VAL A 13 74.464 -14.111 -38.745 1.00 0.00 H new ATOM 0 HA VAL A 13 76.852 -13.818 -37.421 1.00 0.00 H new ATOM 0 HB VAL A 13 75.758 -11.834 -38.022 1.00 0.00 H new ATOM 0 HG11 VAL A 13 73.391 -11.357 -37.461 1.00 0.00 H new ATOM 0 HG12 VAL A 13 73.538 -12.882 -38.366 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.280 -12.914 -36.606 1.00 0.00 H new ATOM 0 HG21 VAL A 13 75.218 -10.640 -35.917 1.00 0.00 H new ATOM 0 HG22 VAL A 13 75.106 -12.197 -35.062 1.00 0.00 H new ATOM 0 HG23 VAL A 13 76.667 -11.654 -35.721 1.00 0.00 H new ATOM 206 N SER A 14 74.738 -15.316 -35.578 1.00 0.00 N ATOM 207 CA SER A 14 74.473 -15.890 -34.264 1.00 0.00 C ATOM 208 C SER A 14 75.774 -16.088 -33.494 1.00 0.00 C ATOM 209 O SER A 14 75.903 -15.651 -32.350 1.00 0.00 O ATOM 210 CB SER A 14 73.758 -17.232 -34.416 1.00 0.00 C ATOM 211 OG SER A 14 73.277 -17.654 -33.146 1.00 0.00 O ATOM 0 H SER A 14 74.181 -15.711 -36.335 1.00 0.00 H new ATOM 0 HA SER A 14 73.837 -15.201 -33.708 1.00 0.00 H new ATOM 0 HB2 SER A 14 72.930 -17.139 -35.119 1.00 0.00 H new ATOM 0 HB3 SER A 14 74.441 -17.977 -34.825 1.00 0.00 H new ATOM 0 HG SER A 14 72.816 -18.514 -33.240 1.00 0.00 H new ATOM 217 N LYS A 15 76.738 -16.747 -34.130 1.00 0.00 N ATOM 218 CA LYS A 15 78.020 -17.010 -33.488 1.00 0.00 C ATOM 219 C LYS A 15 78.942 -15.804 -33.627 1.00 0.00 C ATOM 220 O LYS A 15 79.693 -15.475 -32.708 1.00 0.00 O ATOM 221 CB LYS A 15 78.681 -18.235 -34.121 1.00 0.00 C ATOM 222 CG LYS A 15 77.721 -19.424 -34.061 1.00 0.00 C ATOM 223 CD LYS A 15 78.474 -20.707 -34.419 1.00 0.00 C ATOM 224 CE LYS A 15 77.513 -21.897 -34.359 1.00 0.00 C ATOM 225 NZ LYS A 15 77.200 -22.211 -32.936 1.00 0.00 N ATOM 0 H LYS A 15 76.657 -17.106 -35.081 1.00 0.00 H new ATOM 0 HA LYS A 15 77.844 -17.201 -32.429 1.00 0.00 H new ATOM 0 HB2 LYS A 15 78.948 -18.022 -35.156 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.606 -18.474 -33.596 1.00 0.00 H new ATOM 0 HG2 LYS A 15 77.292 -19.508 -33.063 1.00 0.00 H new ATOM 0 HG3 LYS A 15 76.892 -19.271 -34.752 1.00 0.00 H new ATOM 0 HD2 LYS A 15 78.903 -20.623 -35.417 1.00 0.00 H new ATOM 0 HD3 LYS A 15 79.303 -20.860 -33.728 1.00 0.00 H new ATOM 0 HE2 LYS A 15 76.596 -21.666 -34.902 1.00 0.00 H new ATOM 0 HE3 LYS A 15 77.960 -22.764 -34.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 76.734 -23.139 -32.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 78.081 -22.232 -32.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 76.567 -21.481 -32.551 1.00 0.00 H new ATOM 239 N CYS A 16 78.880 -15.149 -34.781 1.00 0.00 N ATOM 240 CA CYS A 16 79.750 -14.009 -35.049 1.00 0.00 C ATOM 241 C CYS A 16 79.669 -12.993 -33.913 1.00 0.00 C ATOM 242 O CYS A 16 80.394 -11.998 -33.905 1.00 0.00 O ATOM 243 CB CYS A 16 79.345 -13.340 -36.364 1.00 0.00 C ATOM 244 SG CYS A 16 80.378 -11.882 -36.644 1.00 0.00 S ATOM 0 H CYS A 16 78.242 -15.385 -35.541 1.00 0.00 H new ATOM 0 HA CYS A 16 80.776 -14.370 -35.126 1.00 0.00 H new ATOM 0 HB2 CYS A 16 79.457 -14.042 -37.191 1.00 0.00 H new ATOM 0 HB3 CYS A 16 78.294 -13.053 -36.329 1.00 0.00 H new ATOM 249 N GLN A 17 78.784 -13.252 -32.956 1.00 0.00 N ATOM 250 CA GLN A 17 78.625 -12.358 -31.815 1.00 0.00 C ATOM 251 C GLN A 17 79.959 -12.165 -31.100 1.00 0.00 C ATOM 252 O GLN A 17 80.164 -11.170 -30.405 1.00 0.00 O ATOM 253 CB GLN A 17 77.598 -12.933 -30.839 1.00 0.00 C ATOM 254 CG GLN A 17 76.226 -12.986 -31.514 1.00 0.00 C ATOM 255 CD GLN A 17 75.642 -11.582 -31.622 1.00 0.00 C ATOM 256 OE1 GLN A 17 75.907 -10.732 -30.771 1.00 0.00 O ATOM 257 NE2 GLN A 17 74.859 -11.285 -32.622 1.00 0.00 N ATOM 0 H GLN A 17 78.170 -14.067 -32.947 1.00 0.00 H new ATOM 0 HA GLN A 17 78.276 -11.392 -32.179 1.00 0.00 H new ATOM 0 HB2 GLN A 17 77.899 -13.932 -30.525 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.550 -12.317 -29.941 1.00 0.00 H new ATOM 0 HG2 GLN A 17 76.317 -13.428 -32.506 1.00 0.00 H new ATOM 0 HG3 GLN A 17 75.554 -13.625 -30.941 1.00 0.00 H new ATOM 0 HE21 GLN A 17 74.641 -11.990 -33.326 1.00 0.00 H new ATOM 0 HE22 GLN A 17 74.465 -10.347 -32.700 1.00 0.00 H new ATOM 266 N LEU A 18 80.861 -13.125 -31.275 1.00 0.00 N ATOM 267 CA LEU A 18 82.189 -13.031 -30.678 1.00 0.00 C ATOM 268 C LEU A 18 83.266 -13.157 -31.751 1.00 0.00 C ATOM 269 O LEU A 18 83.442 -14.220 -32.345 1.00 0.00 O ATOM 270 CB LEU A 18 82.374 -14.136 -29.636 1.00 0.00 C ATOM 271 CG LEU A 18 81.271 -14.034 -28.582 1.00 0.00 C ATOM 272 CD1 LEU A 18 81.006 -15.417 -27.984 1.00 0.00 C ATOM 273 CD2 LEU A 18 81.716 -13.078 -27.473 1.00 0.00 C ATOM 0 H LEU A 18 80.699 -13.971 -31.821 1.00 0.00 H new ATOM 0 HA LEU A 18 82.282 -12.058 -30.195 1.00 0.00 H new ATOM 0 HB2 LEU A 18 82.342 -15.113 -30.117 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.352 -14.045 -29.164 1.00 0.00 H new ATOM 0 HG LEU A 18 80.359 -13.658 -29.045 1.00 0.00 H new ATOM 0 HD11 LEU A 18 80.220 -15.344 -27.233 1.00 0.00 H new ATOM 0 HD12 LEU A 18 80.692 -16.100 -28.773 1.00 0.00 H new ATOM 0 HD13 LEU A 18 81.918 -15.793 -27.520 1.00 0.00 H new ATOM 0 HD21 LEU A 18 80.931 -13.004 -26.720 1.00 0.00 H new ATOM 0 HD22 LEU A 18 82.628 -13.456 -27.011 1.00 0.00 H new ATOM 0 HD23 LEU A 18 81.907 -12.092 -27.897 1.00 0.00 H new ATOM 285 N ALA A 19 83.985 -12.066 -31.992 1.00 0.00 N ATOM 286 CA ALA A 19 85.019 -12.059 -33.020 1.00 0.00 C ATOM 287 C ALA A 19 85.928 -13.275 -32.872 1.00 0.00 C ATOM 288 O ALA A 19 86.713 -13.588 -33.767 1.00 0.00 O ATOM 289 CB ALA A 19 85.853 -10.780 -32.914 1.00 0.00 C ATOM 0 H ALA A 19 83.873 -11.183 -31.495 1.00 0.00 H new ATOM 0 HA ALA A 19 84.535 -12.097 -33.996 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.623 -10.783 -33.685 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.207 -9.912 -33.049 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.323 -10.733 -31.932 1.00 0.00 H new ATOM 295 N ASN A 20 85.816 -13.956 -31.737 1.00 0.00 N ATOM 296 CA ASN A 20 86.642 -15.131 -31.477 1.00 0.00 C ATOM 297 C ASN A 20 85.986 -16.384 -32.045 1.00 0.00 C ATOM 298 O ASN A 20 86.667 -17.352 -32.385 1.00 0.00 O ATOM 299 CB ASN A 20 86.848 -15.299 -29.970 1.00 0.00 C ATOM 300 CG ASN A 20 87.355 -13.996 -29.363 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.202 -13.323 -29.954 1.00 0.00 O ATOM 302 ND2 ASN A 20 86.886 -13.595 -28.213 1.00 0.00 N ATOM 0 H ASN A 20 85.167 -13.718 -30.987 1.00 0.00 H new ATOM 0 HA ASN A 20 87.607 -14.989 -31.963 1.00 0.00 H new ATOM 0 HB2 ASN A 20 85.910 -15.589 -29.497 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.562 -16.100 -29.780 1.00 0.00 H new ATOM 0 HD21 ASN A 20 87.220 -12.723 -27.802 1.00 0.00 H new ATOM 0 HD22 ASN A 20 86.185 -14.153 -27.725 1.00 0.00 H new ATOM 309 N GLN A 21 84.660 -16.360 -32.146 1.00 0.00 N ATOM 310 CA GLN A 21 83.921 -17.519 -32.637 1.00 0.00 C ATOM 311 C GLN A 21 84.213 -17.753 -34.116 1.00 0.00 C ATOM 312 O GLN A 21 84.490 -18.878 -34.532 1.00 0.00 O ATOM 313 CB GLN A 21 82.420 -17.302 -32.439 1.00 0.00 C ATOM 314 CG GLN A 21 81.768 -18.617 -32.003 1.00 0.00 C ATOM 315 CD GLN A 21 81.884 -19.650 -33.118 1.00 0.00 C ATOM 316 OE1 GLN A 21 81.846 -19.299 -34.297 1.00 0.00 O ATOM 317 NE2 GLN A 21 82.022 -20.911 -32.814 1.00 0.00 N ATOM 0 H GLN A 21 84.080 -15.559 -31.897 1.00 0.00 H new ATOM 0 HA GLN A 21 84.239 -18.396 -32.073 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.249 -16.532 -31.687 1.00 0.00 H new ATOM 0 HB3 GLN A 21 81.967 -16.949 -33.365 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.250 -18.989 -31.099 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.719 -18.449 -31.759 1.00 0.00 H new ATOM 0 HE21 GLN A 21 82.053 -21.199 -31.836 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.099 -21.609 -33.554 1.00 0.00 H new ATOM 326 N CYS A 22 84.149 -16.685 -34.903 1.00 0.00 N ATOM 327 CA CYS A 22 84.390 -16.791 -36.337 1.00 0.00 C ATOM 328 C CYS A 22 85.691 -17.538 -36.608 1.00 0.00 C ATOM 329 O CYS A 22 85.692 -18.595 -37.239 1.00 0.00 O ATOM 330 CB CYS A 22 84.461 -15.394 -36.961 1.00 0.00 C ATOM 331 SG CYS A 22 82.793 -14.706 -37.093 1.00 0.00 S ATOM 0 H CYS A 22 83.934 -15.743 -34.576 1.00 0.00 H new ATOM 0 HA CYS A 22 83.566 -17.346 -36.784 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.087 -14.743 -36.351 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.923 -15.448 -37.947 1.00 0.00 H new ATOM 336 N ASN A 23 86.798 -16.983 -36.126 1.00 0.00 N ATOM 337 CA ASN A 23 88.102 -17.605 -36.325 1.00 0.00 C ATOM 338 C ASN A 23 88.032 -19.102 -36.039 1.00 0.00 C ATOM 339 O ASN A 23 88.487 -19.919 -36.839 1.00 0.00 O ATOM 340 CB ASN A 23 89.135 -16.957 -35.401 1.00 0.00 C ATOM 341 CG ASN A 23 88.778 -15.493 -35.166 1.00 0.00 C ATOM 342 OD1 ASN A 23 88.032 -14.902 -35.946 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.268 -14.870 -34.129 1.00 0.00 N ATOM 0 H ASN A 23 86.819 -16.110 -35.599 1.00 0.00 H new ATOM 0 HA ASN A 23 88.398 -17.458 -37.364 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.169 -17.489 -34.450 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.128 -17.031 -35.844 1.00 0.00 H new ATOM 0 HD21 ASN A 23 89.033 -13.891 -33.964 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.886 -15.362 -33.484 1.00 0.00 H new ATOM 350 N TYR A 24 87.457 -19.454 -34.893 1.00 0.00 N ATOM 351 CA TYR A 24 87.313 -20.856 -34.522 1.00 0.00 C ATOM 352 C TYR A 24 86.619 -21.639 -35.632 1.00 0.00 C ATOM 353 O TYR A 24 87.180 -22.586 -36.182 1.00 0.00 O ATOM 354 CB TYR A 24 86.503 -20.974 -33.229 1.00 0.00 C ATOM 355 CG TYR A 24 87.439 -20.972 -32.045 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.287 -19.880 -31.825 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.461 -22.063 -31.168 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.157 -19.878 -30.727 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.330 -22.061 -30.070 1.00 0.00 C ATOM 360 CZ TYR A 24 89.178 -20.970 -29.850 1.00 0.00 C ATOM 361 OH TYR A 24 90.035 -20.968 -28.769 1.00 0.00 O ATOM 0 H TYR A 24 87.086 -18.793 -34.211 1.00 0.00 H new ATOM 0 HA TYR A 24 88.308 -21.274 -34.368 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.800 -20.145 -33.151 1.00 0.00 H new ATOM 0 HB3 TYR A 24 85.914 -21.891 -33.239 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.270 -19.039 -32.502 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.808 -22.906 -31.338 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.811 -19.035 -30.557 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.346 -22.902 -29.393 1.00 0.00 H new ATOM 0 HH TYR A 24 89.923 -21.799 -28.261 1.00 0.00 H new ATOM 371 N ASP A 25 85.394 -21.235 -35.959 1.00 0.00 N ATOM 372 CA ASP A 25 84.639 -21.897 -37.016 1.00 0.00 C ATOM 373 C ASP A 25 85.351 -21.751 -38.357 1.00 0.00 C ATOM 374 O ASP A 25 85.451 -22.707 -39.126 1.00 0.00 O ATOM 375 CB ASP A 25 83.237 -21.292 -37.113 1.00 0.00 C ATOM 376 CG ASP A 25 82.446 -21.605 -35.847 1.00 0.00 C ATOM 377 OD1 ASP A 25 82.956 -22.342 -35.020 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.342 -21.101 -35.724 1.00 0.00 O ATOM 0 H ASP A 25 84.907 -20.459 -35.511 1.00 0.00 H new ATOM 0 HA ASP A 25 84.562 -22.957 -36.772 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.306 -20.213 -37.251 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.718 -21.692 -37.984 1.00 0.00 H new ATOM 383 N CYS A 26 85.843 -20.547 -38.632 1.00 0.00 N ATOM 384 CA CYS A 26 86.543 -20.287 -39.885 1.00 0.00 C ATOM 385 C CYS A 26 87.796 -21.150 -39.990 1.00 0.00 C ATOM 386 O CYS A 26 88.169 -21.591 -41.077 1.00 0.00 O ATOM 387 CB CYS A 26 86.930 -18.810 -39.970 1.00 0.00 C ATOM 388 SG CYS A 26 86.245 -18.094 -41.484 1.00 0.00 S ATOM 0 H CYS A 26 85.771 -19.742 -38.010 1.00 0.00 H new ATOM 0 HA CYS A 26 85.875 -20.536 -40.710 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.554 -18.274 -39.099 1.00 0.00 H new ATOM 0 HB3 CYS A 26 88.015 -18.706 -39.964 1.00 0.00 H new ATOM 393 N LYS A 27 88.443 -21.388 -38.853 1.00 0.00 N ATOM 394 CA LYS A 27 89.657 -22.196 -38.831 1.00 0.00 C ATOM 395 C LYS A 27 89.312 -23.681 -38.870 1.00 0.00 C ATOM 396 O LYS A 27 90.023 -24.478 -39.481 1.00 0.00 O ATOM 397 CB LYS A 27 90.466 -21.889 -37.569 1.00 0.00 C ATOM 398 CG LYS A 27 91.060 -20.483 -37.673 1.00 0.00 C ATOM 399 CD LYS A 27 91.340 -19.941 -36.270 1.00 0.00 C ATOM 400 CE LYS A 27 92.446 -20.770 -35.613 1.00 0.00 C ATOM 401 NZ LYS A 27 92.841 -20.138 -34.323 1.00 0.00 N ATOM 0 H LYS A 27 88.150 -21.036 -37.942 1.00 0.00 H new ATOM 0 HA LYS A 27 90.252 -21.950 -39.711 1.00 0.00 H new ATOM 0 HB2 LYS A 27 89.828 -21.961 -36.688 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.262 -22.623 -37.447 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.981 -20.508 -38.255 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.369 -19.823 -38.198 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.640 -18.895 -36.326 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.434 -19.981 -35.666 1.00 0.00 H new ATOM 0 HE2 LYS A 27 92.098 -21.788 -35.440 1.00 0.00 H new ATOM 0 HE3 LYS A 27 93.308 -20.837 -36.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 93.593 -20.701 -33.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.190 -19.174 -34.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 92.017 -20.097 -33.690 1.00 0.00 H new ATOM 415 N LEU A 28 88.216 -24.045 -38.212 1.00 0.00 N ATOM 416 CA LEU A 28 87.799 -25.442 -38.156 1.00 0.00 C ATOM 417 C LEU A 28 86.991 -25.809 -39.396 1.00 0.00 C ATOM 418 O LEU A 28 86.926 -26.976 -39.784 1.00 0.00 O ATOM 419 CB LEU A 28 86.957 -25.685 -36.902 1.00 0.00 C ATOM 420 CG LEU A 28 87.776 -25.330 -35.661 1.00 0.00 C ATOM 421 CD1 LEU A 28 86.833 -25.006 -34.500 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.661 -26.519 -35.280 1.00 0.00 C ATOM 0 H LEU A 28 87.605 -23.398 -37.714 1.00 0.00 H new ATOM 0 HA LEU A 28 88.690 -26.068 -38.120 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.050 -25.081 -36.937 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.644 -26.728 -36.858 1.00 0.00 H new ATOM 0 HG LEU A 28 88.400 -24.462 -35.874 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.418 -24.753 -33.616 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.200 -24.161 -34.770 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.208 -25.873 -34.286 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.246 -26.268 -34.395 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.035 -27.385 -35.067 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.333 -26.751 -36.106 1.00 0.00 H new ATOM 434 N ASP A 29 86.376 -24.805 -40.014 1.00 0.00 N ATOM 435 CA ASP A 29 85.518 -25.044 -41.170 1.00 0.00 C ATOM 436 C ASP A 29 86.328 -24.977 -42.460 1.00 0.00 C ATOM 437 O ASP A 29 86.418 -25.955 -43.200 1.00 0.00 O ATOM 438 CB ASP A 29 84.398 -24.002 -41.213 1.00 0.00 C ATOM 439 CG ASP A 29 83.493 -24.158 -39.996 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.751 -25.046 -39.200 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.554 -23.388 -39.878 1.00 0.00 O ATOM 0 H ASP A 29 86.454 -23.826 -39.737 1.00 0.00 H new ATOM 0 HA ASP A 29 85.084 -26.040 -41.078 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.824 -22.999 -41.233 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.816 -24.120 -42.127 1.00 0.00 H new ATOM 446 N LYS A 30 86.918 -23.814 -42.722 1.00 0.00 N ATOM 447 CA LYS A 30 87.654 -23.605 -43.964 1.00 0.00 C ATOM 448 C LYS A 30 89.146 -23.461 -43.684 1.00 0.00 C ATOM 449 O LYS A 30 89.958 -23.393 -44.607 1.00 0.00 O ATOM 450 CB LYS A 30 87.139 -22.349 -44.670 1.00 0.00 C ATOM 451 CG LYS A 30 85.613 -22.296 -44.571 1.00 0.00 C ATOM 452 CD LYS A 30 85.012 -23.504 -45.292 1.00 0.00 C ATOM 453 CE LYS A 30 83.501 -23.311 -45.439 1.00 0.00 C ATOM 454 NZ LYS A 30 82.941 -24.404 -46.283 1.00 0.00 N ATOM 0 H LYS A 30 86.901 -23.008 -42.097 1.00 0.00 H new ATOM 0 HA LYS A 30 87.500 -24.471 -44.608 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.574 -21.459 -44.215 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.446 -22.355 -45.716 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.306 -22.294 -43.525 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.241 -21.372 -45.015 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.472 -23.621 -46.273 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.220 -24.416 -44.732 1.00 0.00 H new ATOM 0 HE2 LYS A 30 83.026 -23.315 -44.458 1.00 0.00 H new ATOM 0 HE3 LYS A 30 83.290 -22.342 -45.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 81.914 -24.274 -46.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.387 -24.380 -47.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.131 -25.322 -45.833 1.00 0.00 H new ATOM 468 N HIS A 31 89.500 -23.414 -42.403 1.00 0.00 N ATOM 469 CA HIS A 31 90.899 -23.279 -42.011 1.00 0.00 C ATOM 470 C HIS A 31 91.420 -21.886 -42.349 1.00 0.00 C ATOM 471 O HIS A 31 92.353 -21.736 -43.137 1.00 0.00 O ATOM 472 CB HIS A 31 91.748 -24.329 -42.730 1.00 0.00 C ATOM 473 CG HIS A 31 91.012 -25.641 -42.748 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.108 -26.557 -41.712 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.166 -26.207 -43.670 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.339 -27.614 -42.033 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.743 -27.452 -43.216 1.00 0.00 N ATOM 0 H HIS A 31 88.843 -23.467 -41.624 1.00 0.00 H new ATOM 0 HA HIS A 31 90.969 -23.430 -40.934 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.961 -24.005 -43.749 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.707 -24.445 -42.225 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.873 -25.754 -44.606 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.219 -28.487 -41.409 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.113 -28.102 -43.686 1.00 0.00 H new ATOM 485 N ALA A 32 90.811 -20.869 -41.746 1.00 0.00 N ATOM 486 CA ALA A 32 91.226 -19.492 -41.989 1.00 0.00 C ATOM 487 C ALA A 32 92.318 -19.080 -41.006 1.00 0.00 C ATOM 488 O ALA A 32 92.899 -19.922 -40.321 1.00 0.00 O ATOM 489 CB ALA A 32 90.029 -18.552 -41.846 1.00 0.00 C ATOM 0 H ALA A 32 90.035 -20.971 -41.091 1.00 0.00 H new ATOM 0 HA ALA A 32 91.621 -19.426 -43.003 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.348 -17.526 -42.029 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.261 -18.828 -42.569 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.623 -18.631 -40.838 1.00 0.00 H new ATOM 495 N ARG A 33 92.591 -17.782 -40.944 1.00 0.00 N ATOM 496 CA ARG A 33 93.624 -17.271 -40.050 1.00 0.00 C ATOM 497 C ARG A 33 93.017 -16.337 -39.008 1.00 0.00 C ATOM 498 O ARG A 33 93.344 -16.415 -37.824 1.00 0.00 O ATOM 499 CB ARG A 33 94.686 -16.519 -40.854 1.00 0.00 C ATOM 500 CG ARG A 33 95.299 -17.459 -41.894 1.00 0.00 C ATOM 501 CD ARG A 33 96.399 -16.724 -42.662 1.00 0.00 C ATOM 502 NE ARG A 33 96.818 -17.509 -43.817 1.00 0.00 N ATOM 503 CZ ARG A 33 97.482 -18.650 -43.667 1.00 0.00 C ATOM 504 NH1 ARG A 33 97.772 -19.085 -42.472 1.00 0.00 N ATOM 505 NH2 ARG A 33 97.846 -19.335 -44.717 1.00 0.00 N ATOM 0 H ARG A 33 92.116 -17.069 -41.497 1.00 0.00 H new ATOM 0 HA ARG A 33 94.086 -18.116 -39.539 1.00 0.00 H new ATOM 0 HB2 ARG A 33 94.240 -15.655 -41.347 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.462 -16.141 -40.188 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.710 -18.341 -41.404 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.530 -17.807 -42.583 1.00 0.00 H new ATOM 0 HD2 ARG A 33 96.036 -15.749 -42.988 1.00 0.00 H new ATOM 0 HD3 ARG A 33 97.251 -16.544 -42.007 1.00 0.00 H new ATOM 0 HE ARG A 33 96.598 -17.177 -44.756 1.00 0.00 H new ATOM 0 HH11 ARG A 33 97.489 -18.549 -41.652 1.00 0.00 H new ATOM 0 HH12 ARG A 33 98.282 -19.961 -42.358 1.00 0.00 H new ATOM 0 HH21 ARG A 33 97.621 -18.994 -45.652 1.00 0.00 H new ATOM 0 HH22 ARG A 33 98.356 -20.211 -44.603 1.00 0.00 H new ATOM 519 N SER A 34 92.130 -15.454 -39.457 1.00 0.00 N ATOM 520 CA SER A 34 91.527 -14.471 -38.565 1.00 0.00 C ATOM 521 C SER A 34 90.007 -14.591 -38.580 1.00 0.00 C ATOM 522 O SER A 34 89.322 -14.048 -37.714 1.00 0.00 O ATOM 523 CB SER A 34 91.934 -13.060 -38.992 1.00 0.00 C ATOM 524 OG SER A 34 91.070 -12.618 -40.032 1.00 0.00 O ATOM 0 H SER A 34 91.815 -15.399 -40.426 1.00 0.00 H new ATOM 0 HA SER A 34 91.883 -14.662 -37.553 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.877 -12.380 -38.142 1.00 0.00 H new ATOM 0 HB3 SER A 34 92.968 -13.055 -39.336 1.00 0.00 H new ATOM 0 HG SER A 34 91.326 -11.713 -40.308 1.00 0.00 H new ATOM 530 N GLY A 35 89.486 -15.306 -39.572 1.00 0.00 N ATOM 531 CA GLY A 35 88.043 -15.474 -39.702 1.00 0.00 C ATOM 532 C GLY A 35 87.308 -14.204 -39.282 1.00 0.00 C ATOM 533 O GLY A 35 86.589 -14.194 -38.283 1.00 0.00 O ATOM 0 H GLY A 35 90.036 -15.775 -40.292 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.793 -15.720 -40.734 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.713 -16.311 -39.086 1.00 0.00 H new ATOM 537 N GLU A 36 87.496 -13.136 -40.051 1.00 0.00 N ATOM 538 CA GLU A 36 86.879 -11.856 -39.724 1.00 0.00 C ATOM 539 C GLU A 36 85.458 -11.790 -40.273 1.00 0.00 C ATOM 540 O GLU A 36 85.160 -12.362 -41.322 1.00 0.00 O ATOM 541 CB GLU A 36 87.708 -10.711 -40.311 1.00 0.00 C ATOM 542 CG GLU A 36 88.860 -10.376 -39.363 1.00 0.00 C ATOM 543 CD GLU A 36 88.322 -9.704 -38.104 1.00 0.00 C ATOM 544 OE1 GLU A 36 87.196 -9.238 -38.141 1.00 0.00 O ATOM 545 OE2 GLU A 36 89.046 -9.664 -37.122 1.00 0.00 O ATOM 0 H GLU A 36 88.065 -13.131 -40.897 1.00 0.00 H new ATOM 0 HA GLU A 36 86.842 -11.759 -38.639 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.098 -10.995 -41.288 1.00 0.00 H new ATOM 0 HB3 GLU A 36 87.080 -9.833 -40.461 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.399 -11.285 -39.097 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.572 -9.717 -39.861 1.00 0.00 H new ATOM 552 N CYS A 37 84.585 -11.091 -39.557 1.00 0.00 N ATOM 553 CA CYS A 37 83.197 -10.954 -39.982 1.00 0.00 C ATOM 554 C CYS A 37 83.020 -9.707 -40.842 1.00 0.00 C ATOM 555 O CYS A 37 83.792 -8.754 -40.737 1.00 0.00 O ATOM 556 CB CYS A 37 82.225 -10.793 -38.778 1.00 0.00 C ATOM 557 SG CYS A 37 81.494 -12.365 -38.258 1.00 0.00 S ATOM 0 H CYS A 37 84.811 -10.613 -38.685 1.00 0.00 H new ATOM 0 HA CYS A 37 82.965 -11.865 -40.534 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.762 -10.351 -37.939 1.00 0.00 H new ATOM 0 HB3 CYS A 37 81.430 -10.099 -39.048 1.00 0.00 H new ATOM 562 N PHE A 38 82.000 -9.722 -41.694 1.00 0.00 N ATOM 563 CA PHE A 38 81.707 -8.570 -42.540 1.00 0.00 C ATOM 564 C PHE A 38 80.205 -8.456 -42.786 1.00 0.00 C ATOM 565 O PHE A 38 79.457 -9.409 -42.571 1.00 0.00 O ATOM 566 CB PHE A 38 82.436 -8.706 -43.878 1.00 0.00 C ATOM 567 CG PHE A 38 83.926 -8.625 -43.650 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.641 -9.773 -43.291 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.592 -7.402 -43.798 1.00 0.00 C ATOM 570 CE1 PHE A 38 86.024 -9.699 -43.079 1.00 0.00 C ATOM 571 CE2 PHE A 38 85.975 -7.328 -43.586 1.00 0.00 C ATOM 572 CZ PHE A 38 86.690 -8.476 -43.226 1.00 0.00 C ATOM 0 H PHE A 38 81.367 -10.512 -41.817 1.00 0.00 H new ATOM 0 HA PHE A 38 82.050 -7.670 -42.030 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.180 -9.655 -44.349 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.118 -7.917 -44.559 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.127 -10.716 -43.177 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.040 -6.516 -44.075 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.576 -10.585 -42.802 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.489 -6.385 -43.700 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.756 -8.419 -43.062 1.00 0.00 H new ATOM 582 N TYR A 39 79.773 -7.284 -43.239 1.00 0.00 N ATOM 583 CA TYR A 39 78.357 -7.054 -43.503 1.00 0.00 C ATOM 584 C TYR A 39 78.015 -7.422 -44.944 1.00 0.00 C ATOM 585 O TYR A 39 78.673 -6.970 -45.883 1.00 0.00 O ATOM 586 CB TYR A 39 78.010 -5.585 -43.253 1.00 0.00 C ATOM 587 CG TYR A 39 77.959 -5.326 -41.766 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.759 -5.501 -41.067 1.00 0.00 C ATOM 589 CD2 TYR A 39 79.111 -4.913 -41.087 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.711 -5.262 -39.688 1.00 0.00 C ATOM 591 CE2 TYR A 39 79.063 -4.676 -39.708 1.00 0.00 C ATOM 592 CZ TYR A 39 77.864 -4.849 -39.008 1.00 0.00 C ATOM 593 OH TYR A 39 77.816 -4.614 -37.650 1.00 0.00 O ATOM 0 H TYR A 39 80.377 -6.485 -43.430 1.00 0.00 H new ATOM 0 HA TYR A 39 77.774 -7.683 -42.830 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.754 -4.940 -43.720 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.049 -5.345 -43.708 1.00 0.00 H new ATOM 0 HD1 TYR A 39 75.870 -5.820 -41.591 1.00 0.00 H new ATOM 0 HD2 TYR A 39 80.037 -4.777 -41.627 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.785 -5.396 -39.149 1.00 0.00 H new ATOM 0 HE2 TYR A 39 79.953 -4.359 -39.184 1.00 0.00 H new ATOM 0 HH TYR A 39 78.701 -4.336 -37.335 1.00 0.00 H new ATOM 603 N ASP A 40 76.984 -8.244 -45.111 1.00 0.00 N ATOM 604 CA ASP A 40 76.560 -8.660 -46.442 1.00 0.00 C ATOM 605 C ASP A 40 75.294 -7.918 -46.859 1.00 0.00 C ATOM 606 O ASP A 40 75.034 -6.806 -46.397 1.00 0.00 O ATOM 607 CB ASP A 40 76.299 -10.167 -46.458 1.00 0.00 C ATOM 608 CG ASP A 40 77.562 -10.920 -46.052 1.00 0.00 C ATOM 609 OD1 ASP A 40 78.389 -10.328 -45.380 1.00 0.00 O ATOM 610 OD2 ASP A 40 77.681 -12.077 -46.418 1.00 0.00 O ATOM 0 H ASP A 40 76.431 -8.633 -44.347 1.00 0.00 H new ATOM 0 HA ASP A 40 77.356 -8.421 -47.148 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.485 -10.411 -45.775 1.00 0.00 H new ATOM 0 HB3 ASP A 40 75.984 -10.479 -47.454 1.00 0.00 H new ATOM 615 N GLU A 41 74.510 -8.541 -47.733 1.00 0.00 N ATOM 616 CA GLU A 41 73.277 -7.927 -48.211 1.00 0.00 C ATOM 617 C GLU A 41 72.219 -7.925 -47.113 1.00 0.00 C ATOM 618 O GLU A 41 71.264 -7.149 -47.158 1.00 0.00 O ATOM 619 CB GLU A 41 72.751 -8.691 -49.428 1.00 0.00 C ATOM 620 CG GLU A 41 73.760 -8.586 -50.573 1.00 0.00 C ATOM 621 CD GLU A 41 73.221 -9.293 -51.811 1.00 0.00 C ATOM 622 OE1 GLU A 41 72.176 -9.914 -51.707 1.00 0.00 O ATOM 623 OE2 GLU A 41 73.861 -9.203 -52.846 1.00 0.00 O ATOM 0 H GLU A 41 74.705 -9.464 -48.122 1.00 0.00 H new ATOM 0 HA GLU A 41 73.492 -6.897 -48.494 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.585 -9.737 -49.170 1.00 0.00 H new ATOM 0 HB3 GLU A 41 71.789 -8.283 -49.739 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.957 -7.538 -50.800 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.709 -9.031 -50.274 1.00 0.00 H new ATOM 630 N LYS A 42 72.394 -8.800 -46.128 1.00 0.00 N ATOM 631 CA LYS A 42 71.443 -8.896 -45.026 1.00 0.00 C ATOM 632 C LYS A 42 71.973 -8.168 -43.795 1.00 0.00 C ATOM 633 O LYS A 42 71.553 -8.441 -42.671 1.00 0.00 O ATOM 634 CB LYS A 42 71.188 -10.365 -44.682 1.00 0.00 C ATOM 635 CG LYS A 42 70.655 -11.093 -45.917 1.00 0.00 C ATOM 636 CD LYS A 42 70.122 -12.468 -45.507 1.00 0.00 C ATOM 637 CE LYS A 42 71.241 -13.275 -44.846 1.00 0.00 C ATOM 638 NZ LYS A 42 72.515 -13.055 -45.588 1.00 0.00 N ATOM 0 H LYS A 42 73.179 -9.448 -46.070 1.00 0.00 H new ATOM 0 HA LYS A 42 70.509 -8.428 -45.336 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.110 -10.835 -44.340 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.470 -10.439 -43.865 1.00 0.00 H new ATOM 0 HG2 LYS A 42 69.862 -10.508 -46.384 1.00 0.00 H new ATOM 0 HG3 LYS A 42 71.447 -11.204 -46.657 1.00 0.00 H new ATOM 0 HD2 LYS A 42 69.286 -12.354 -44.817 1.00 0.00 H new ATOM 0 HD3 LYS A 42 69.745 -12.999 -46.381 1.00 0.00 H new ATOM 0 HE2 LYS A 42 71.357 -12.972 -43.805 1.00 0.00 H new ATOM 0 HE3 LYS A 42 70.987 -14.335 -44.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 73.146 -13.869 -45.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 72.312 -12.950 -46.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 72.977 -12.192 -45.236 1.00 0.00 H new ATOM 652 N ARG A 43 72.899 -7.240 -44.016 1.00 0.00 N ATOM 653 CA ARG A 43 73.491 -6.490 -42.914 1.00 0.00 C ATOM 654 C ARG A 43 73.858 -7.425 -41.766 1.00 0.00 C ATOM 655 O ARG A 43 74.058 -6.985 -40.634 1.00 0.00 O ATOM 656 CB ARG A 43 72.508 -5.428 -42.418 1.00 0.00 C ATOM 657 CG ARG A 43 72.747 -4.119 -43.172 1.00 0.00 C ATOM 658 CD ARG A 43 74.092 -3.525 -42.753 1.00 0.00 C ATOM 659 NE ARG A 43 75.079 -3.715 -43.808 1.00 0.00 N ATOM 660 CZ ARG A 43 76.148 -2.931 -43.900 1.00 0.00 C ATOM 661 NH1 ARG A 43 76.327 -1.970 -43.037 1.00 0.00 N ATOM 662 NH2 ARG A 43 77.018 -3.122 -44.855 1.00 0.00 N ATOM 0 H ARG A 43 73.253 -6.991 -44.940 1.00 0.00 H new ATOM 0 HA ARG A 43 74.398 -6.004 -43.275 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.483 -5.766 -42.571 1.00 0.00 H new ATOM 0 HB3 ARG A 43 72.635 -5.271 -41.347 1.00 0.00 H new ATOM 0 HG2 ARG A 43 72.737 -4.299 -44.247 1.00 0.00 H new ATOM 0 HG3 ARG A 43 71.944 -3.413 -42.959 1.00 0.00 H new ATOM 0 HD2 ARG A 43 73.977 -2.462 -42.540 1.00 0.00 H new ATOM 0 HD3 ARG A 43 74.436 -3.999 -41.834 1.00 0.00 H new ATOM 0 HE ARG A 43 74.947 -4.463 -44.488 1.00 0.00 H new ATOM 0 HH11 ARG A 43 75.647 -1.820 -42.292 1.00 0.00 H new ATOM 0 HH12 ARG A 43 77.147 -1.368 -43.107 1.00 0.00 H new ATOM 0 HH21 ARG A 43 76.877 -3.873 -45.531 1.00 0.00 H new ATOM 0 HH22 ARG A 43 77.838 -2.520 -44.925 1.00 0.00 H new ATOM 676 N ASN A 44 73.944 -8.716 -42.065 1.00 0.00 N ATOM 677 CA ASN A 44 74.291 -9.705 -41.051 1.00 0.00 C ATOM 678 C ASN A 44 75.798 -9.947 -41.031 1.00 0.00 C ATOM 679 O ASN A 44 76.470 -9.818 -42.055 1.00 0.00 O ATOM 680 CB ASN A 44 73.565 -11.022 -41.334 1.00 0.00 C ATOM 681 CG ASN A 44 72.115 -10.927 -40.871 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.682 -9.878 -40.393 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.334 -11.966 -40.984 1.00 0.00 N ATOM 0 H ASN A 44 73.779 -9.101 -42.995 1.00 0.00 H new ATOM 0 HA ASN A 44 73.983 -9.322 -40.078 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.601 -11.245 -42.400 1.00 0.00 H new ATOM 0 HB3 ASN A 44 74.067 -11.842 -40.820 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.363 -11.910 -40.676 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.694 -12.834 -41.380 1.00 0.00 H new ATOM 690 N LEU A 45 76.321 -10.297 -39.862 1.00 0.00 N ATOM 691 CA LEU A 45 77.746 -10.572 -39.725 1.00 0.00 C ATOM 692 C LEU A 45 78.058 -12.006 -40.138 1.00 0.00 C ATOM 693 O LEU A 45 77.562 -12.959 -39.534 1.00 0.00 O ATOM 694 CB LEU A 45 78.185 -10.349 -38.275 1.00 0.00 C ATOM 695 CG LEU A 45 77.401 -9.181 -37.678 1.00 0.00 C ATOM 696 CD1 LEU A 45 77.831 -8.965 -36.227 1.00 0.00 C ATOM 697 CD2 LEU A 45 77.685 -7.912 -38.487 1.00 0.00 C ATOM 0 H LEU A 45 75.784 -10.397 -39.001 1.00 0.00 H new ATOM 0 HA LEU A 45 78.292 -9.891 -40.378 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.014 -11.252 -37.689 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.254 -10.141 -38.236 1.00 0.00 H new ATOM 0 HG LEU A 45 76.335 -9.405 -37.711 1.00 0.00 H new ATOM 0 HD11 LEU A 45 77.271 -8.132 -35.802 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.631 -9.868 -35.650 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.897 -8.741 -36.193 1.00 0.00 H new ATOM 0 HD21 LEU A 45 77.127 -7.078 -38.063 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.752 -7.690 -38.453 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.379 -8.064 -39.522 1.00 0.00 H new ATOM 709 N GLN A 46 78.883 -12.153 -41.169 1.00 0.00 N ATOM 710 CA GLN A 46 79.247 -13.478 -41.661 1.00 0.00 C ATOM 711 C GLN A 46 80.745 -13.714 -41.504 1.00 0.00 C ATOM 712 O GLN A 46 81.561 -12.967 -42.043 1.00 0.00 O ATOM 713 CB GLN A 46 78.860 -13.611 -43.136 1.00 0.00 C ATOM 714 CG GLN A 46 77.400 -13.192 -43.321 1.00 0.00 C ATOM 715 CD GLN A 46 76.475 -14.244 -42.715 1.00 0.00 C ATOM 716 OE1 GLN A 46 76.942 -15.265 -42.210 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.184 -14.053 -42.734 1.00 0.00 N ATOM 0 H GLN A 46 79.310 -11.378 -41.677 1.00 0.00 H new ATOM 0 HA GLN A 46 78.709 -14.224 -41.075 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.509 -12.987 -43.751 1.00 0.00 H new ATOM 0 HB3 GLN A 46 78.999 -14.640 -43.468 1.00 0.00 H new ATOM 0 HG2 GLN A 46 77.227 -12.226 -42.846 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.180 -13.069 -44.381 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.800 -13.206 -43.153 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.559 -14.751 -42.330 1.00 0.00 H new ATOM 726 N CYS A 47 81.100 -14.758 -40.761 1.00 0.00 N ATOM 727 CA CYS A 47 82.505 -15.098 -40.560 1.00 0.00 C ATOM 728 C CYS A 47 83.180 -15.395 -41.896 1.00 0.00 C ATOM 729 O CYS A 47 82.866 -16.387 -42.554 1.00 0.00 O ATOM 730 CB CYS A 47 82.660 -16.323 -39.648 1.00 0.00 C ATOM 731 SG CYS A 47 81.751 -16.118 -38.096 1.00 0.00 S ATOM 0 H CYS A 47 80.441 -15.379 -40.292 1.00 0.00 H new ATOM 0 HA CYS A 47 82.979 -14.239 -40.086 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.300 -17.211 -40.167 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.716 -16.486 -39.433 1.00 0.00 H new ATOM 736 N ILE A 48 84.108 -14.530 -42.290 1.00 0.00 N ATOM 737 CA ILE A 48 84.809 -14.701 -43.557 1.00 0.00 C ATOM 738 C ILE A 48 86.216 -15.240 -43.324 1.00 0.00 C ATOM 739 O ILE A 48 87.033 -14.604 -42.662 1.00 0.00 O ATOM 740 CB ILE A 48 84.889 -13.362 -44.294 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.479 -12.896 -44.659 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.716 -13.529 -45.570 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.562 -11.816 -45.740 1.00 0.00 C ATOM 0 H ILE A 48 84.391 -13.709 -41.755 1.00 0.00 H new ATOM 0 HA ILE A 48 84.254 -15.417 -44.163 1.00 0.00 H new ATOM 0 HB ILE A 48 85.362 -12.621 -43.649 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.887 -13.739 -45.017 1.00 0.00 H new ATOM 0 HG13 ILE A 48 82.974 -12.504 -43.776 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.773 -12.575 -46.094 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.721 -13.861 -45.311 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.244 -14.270 -46.215 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.557 -11.484 -46.000 1.00 0.00 H new ATOM 0 HD12 ILE A 48 84.138 -10.970 -45.366 1.00 0.00 H new ATOM 0 HD13 ILE A 48 84.050 -12.224 -46.625 1.00 0.00 H new ATOM 755 N CYS A 49 86.490 -16.420 -43.873 1.00 0.00 N ATOM 756 CA CYS A 49 87.810 -17.024 -43.741 1.00 0.00 C ATOM 757 C CYS A 49 88.802 -16.357 -44.687 1.00 0.00 C ATOM 758 O CYS A 49 88.600 -16.336 -45.900 1.00 0.00 O ATOM 759 CB CYS A 49 87.725 -18.503 -44.089 1.00 0.00 C ATOM 760 SG CYS A 49 86.706 -19.437 -42.921 1.00 0.00 S ATOM 0 H CYS A 49 85.821 -16.972 -44.409 1.00 0.00 H new ATOM 0 HA CYS A 49 88.150 -16.893 -42.714 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.314 -18.613 -45.092 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.729 -18.926 -44.108 1.00 0.00 H new ATOM 765 N ASP A 50 89.876 -15.813 -44.123 1.00 0.00 N ATOM 766 CA ASP A 50 90.874 -15.113 -44.922 1.00 0.00 C ATOM 767 C ASP A 50 92.219 -15.829 -44.849 1.00 0.00 C ATOM 768 O ASP A 50 92.832 -15.910 -43.784 1.00 0.00 O ATOM 769 CB ASP A 50 91.033 -13.676 -44.421 1.00 0.00 C ATOM 770 CG ASP A 50 89.665 -13.083 -44.101 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.675 -13.740 -44.379 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.628 -11.979 -43.583 1.00 0.00 O ATOM 0 H ASP A 50 90.076 -15.843 -43.123 1.00 0.00 H new ATOM 0 HA ASP A 50 90.536 -15.101 -45.958 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.663 -13.659 -43.532 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.533 -13.071 -45.177 1.00 0.00 H new ATOM 777 N TYR A 51 92.670 -16.349 -45.986 1.00 0.00 N ATOM 778 CA TYR A 51 93.970 -17.005 -46.052 1.00 0.00 C ATOM 779 C TYR A 51 94.963 -16.149 -46.830 1.00 0.00 C ATOM 780 O TYR A 51 95.474 -16.565 -47.871 1.00 0.00 O ATOM 781 CB TYR A 51 93.829 -18.372 -46.724 1.00 0.00 C ATOM 782 CG TYR A 51 92.421 -18.883 -46.535 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.369 -18.326 -47.271 1.00 0.00 C ATOM 784 CD2 TYR A 51 92.168 -19.914 -45.622 1.00 0.00 C ATOM 785 CE1 TYR A 51 90.064 -18.800 -47.095 1.00 0.00 C ATOM 786 CE2 TYR A 51 90.863 -20.388 -45.445 1.00 0.00 C ATOM 787 CZ TYR A 51 89.810 -19.831 -46.182 1.00 0.00 C ATOM 788 OH TYR A 51 88.523 -20.297 -46.008 1.00 0.00 O ATOM 0 H TYR A 51 92.158 -16.329 -46.868 1.00 0.00 H new ATOM 0 HA TYR A 51 94.344 -17.137 -45.037 1.00 0.00 H new ATOM 0 HB2 TYR A 51 94.059 -18.292 -47.787 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.543 -19.075 -46.295 1.00 0.00 H new ATOM 0 HD1 TYR A 51 91.564 -17.530 -47.975 1.00 0.00 H new ATOM 0 HD2 TYR A 51 92.980 -20.344 -45.054 1.00 0.00 H new ATOM 0 HE1 TYR A 51 89.252 -18.370 -47.664 1.00 0.00 H new ATOM 0 HE2 TYR A 51 90.668 -21.183 -44.740 1.00 0.00 H new ATOM 0 HH TYR A 51 88.183 -20.645 -46.859 1.00 0.00 H new ATOM 798 N CYS A 52 95.233 -14.952 -46.320 1.00 0.00 N ATOM 799 CA CYS A 52 96.145 -14.033 -46.991 1.00 0.00 C ATOM 800 C CYS A 52 96.461 -12.841 -46.095 1.00 0.00 C ATOM 801 O CYS A 52 96.157 -12.852 -44.901 1.00 0.00 O ATOM 802 CB CYS A 52 95.522 -13.540 -48.299 1.00 0.00 C ATOM 803 SG CYS A 52 95.813 -14.760 -49.603 1.00 0.00 S ATOM 0 H CYS A 52 94.836 -14.597 -45.450 1.00 0.00 H new ATOM 0 HA CYS A 52 97.071 -14.565 -47.208 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.452 -13.381 -48.167 1.00 0.00 H new ATOM 0 HB3 CYS A 52 95.955 -12.580 -48.581 1.00 0.00 H new ATOM 808 N GLU A 53 97.070 -11.813 -46.676 1.00 0.00 N ATOM 809 CA GLU A 53 97.402 -10.609 -45.924 1.00 0.00 C ATOM 810 C GLU A 53 96.384 -9.507 -46.197 1.00 0.00 C ATOM 811 O GLU A 53 96.678 -8.534 -46.891 1.00 0.00 O ATOM 812 CB GLU A 53 98.800 -10.121 -46.311 1.00 0.00 C ATOM 813 CG GLU A 53 99.840 -11.161 -45.885 1.00 0.00 C ATOM 814 CD GLU A 53 101.243 -10.655 -46.204 1.00 0.00 C ATOM 815 OE1 GLU A 53 101.349 -9.641 -46.873 1.00 0.00 O ATOM 816 OE2 GLU A 53 102.191 -11.291 -45.772 1.00 0.00 O ATOM 0 H GLU A 53 97.342 -11.789 -47.659 1.00 0.00 H new ATOM 0 HA GLU A 53 97.382 -10.851 -44.861 1.00 0.00 H new ATOM 0 HB2 GLU A 53 98.854 -9.956 -47.387 1.00 0.00 H new ATOM 0 HB3 GLU A 53 99.009 -9.165 -45.831 1.00 0.00 H new ATOM 0 HG2 GLU A 53 99.750 -11.361 -44.817 1.00 0.00 H new ATOM 0 HG3 GLU A 53 99.658 -12.103 -46.402 1.00 0.00 H new ATOM 823 N TYR A 54 95.185 -9.666 -45.647 1.00 0.00 N ATOM 824 CA TYR A 54 94.132 -8.674 -45.831 1.00 0.00 C ATOM 825 C TYR A 54 94.165 -8.115 -47.250 1.00 0.00 C ATOM 826 CB TYR A 54 94.308 -7.533 -44.827 1.00 0.00 C ATOM 827 CG TYR A 54 94.308 -8.092 -43.424 1.00 0.00 C ATOM 828 CD1 TYR A 54 95.418 -8.804 -42.954 1.00 0.00 C ATOM 829 CD2 TYR A 54 93.197 -7.898 -42.594 1.00 0.00 C ATOM 830 CE1 TYR A 54 95.418 -9.323 -41.653 1.00 0.00 C ATOM 831 CE2 TYR A 54 93.197 -8.417 -41.293 1.00 0.00 C ATOM 832 CZ TYR A 54 94.307 -9.129 -40.823 1.00 0.00 C ATOM 833 OH TYR A 54 94.307 -9.639 -39.541 1.00 0.00 O ATOM 0 H TYR A 54 94.919 -10.467 -45.074 1.00 0.00 H new ATOM 0 HA TYR A 54 93.170 -9.158 -45.665 1.00 0.00 H new ATOM 0 HB2 TYR A 54 95.242 -7.006 -45.020 1.00 0.00 H new ATOM 0 HB3 TYR A 54 93.503 -6.807 -44.941 1.00 0.00 H new ATOM 0 HD1 TYR A 54 96.275 -8.953 -43.595 1.00 0.00 H new ATOM 0 HD2 TYR A 54 92.341 -7.349 -42.957 1.00 0.00 H new ATOM 0 HE1 TYR A 54 96.274 -9.872 -41.290 1.00 0.00 H new ATOM 0 HE2 TYR A 54 92.340 -8.268 -40.652 1.00 0.00 H new ATOM 0 HH TYR A 54 93.461 -9.414 -39.100 1.00 0.00 H new TER 843 TYR A 54