USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 748 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 87 ASN : amide:sc= -0.873 K(o=0.31,f=-9.4!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 177:sc= 1.18 (180deg=-0.0434) USER MOD Set 2.1: A 75 LYS NZ :NH3+ -148:sc= 2.21 (180deg=0.0441) USER MOD Set 2.2: A 78 ASN : amide:sc= 1.64 K(o=3.9,f=-9.4!) USER MOD Set 3.1: A 70 LYS NZ :NH3+ -148:sc= 1.15 (180deg=0.891) USER MOD Set 3.2: A 72 ASN : amide:sc= 0.501 K(o=1.7,f=-1.2) USER MOD Set 4.1: A 64 ASN : amide:sc= -3.64! C(o=-2!,f=-9.5!) USER MOD Set 4.2: A 67 LYS NZ :NH3+ 139:sc= 1.22 (180deg=0) USER MOD Set 4.3: A 68 TYR OH : rot 30:sc= 0.389 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= 0.314 (180deg=0.28) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= 0.0885 (180deg=-0.954!) USER MOD Single : A 14 LYS NZ :NH3+ 144:sc= -0.161! (180deg=-2.51!) USER MOD Single : A 15 MET CE :methyl -131:sc= -0.439 (180deg=-2.27!) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= -0.0038 (180deg=-0.0784) USER MOD Single : A 18 TYR OH : rot 69:sc= 1.26 USER MOD Single : A 20 HIS : no HE2:sc= -3.05! C(o=-3.1!,f=-2.7!) USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.22) USER MOD Single : A 37 THR OG1 : rot 152:sc= 0.429 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 136:sc=-0.00991 (180deg=-0.616) USER MOD Single : A 47 THR OG1 : rot 147:sc= 1.19 USER MOD Single : A 48 HIS : no HD1:sc= 0.00243 K(o=0.0024,f=-6.3!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 144:sc= 0.974 (180deg=-0.845!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 107:sc= 1.33 USER MOD Single : A 65 LYS NZ :NH3+ 167:sc= 1.08 (180deg=0.703) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= -0.0153 (180deg=-0.173) USER MOD Single : A 86 ASN : amide:sc= -3.17! K(o=-3.2!,f=-0.85) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= -0.483 (180deg=-0.495) USER MOD Single : A 93 SER OG : rot 40:sc= 0.0976 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.862 12.428 0.833 1.00 0.00 N ATOM 2 CA MET A 1 -3.942 13.065 1.613 1.00 0.00 C ATOM 3 C MET A 1 -3.399 14.412 2.027 1.00 0.00 C ATOM 4 O MET A 1 -2.371 14.812 1.514 1.00 0.00 O ATOM 5 CB MET A 1 -4.257 12.216 2.867 1.00 0.00 C ATOM 6 CG MET A 1 -5.744 12.133 3.294 1.00 0.00 C ATOM 7 SD MET A 1 -6.520 13.704 3.698 1.00 0.00 S ATOM 8 CE MET A 1 -8.145 13.152 4.241 1.00 0.00 C ATOM 0 H1 MET A 1 -3.258 11.660 0.254 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.418 13.135 0.213 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.148 12.039 1.482 1.00 0.00 H new ATOM 0 HA MET A 1 -4.862 13.157 1.036 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.896 11.203 2.692 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.685 12.618 3.703 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.310 11.664 2.489 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.819 11.476 4.161 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.746 14.015 4.526 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.638 12.619 3.428 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.036 12.487 5.098 1.00 0.00 H new ATOM 20 N ALA A 2 -4.077 15.093 2.922 1.00 0.00 N ATOM 21 CA ALA A 2 -3.624 16.377 3.436 1.00 0.00 C ATOM 22 C ALA A 2 -2.548 16.172 4.492 1.00 0.00 C ATOM 23 O ALA A 2 -1.727 17.040 4.725 1.00 0.00 O ATOM 24 CB ALA A 2 -4.797 17.159 4.016 1.00 0.00 C ATOM 0 H ALA A 2 -4.962 14.776 3.319 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.198 16.952 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.443 18.117 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.541 17.330 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.247 16.590 4.829 1.00 0.00 H new ATOM 30 N ARG A 3 -2.567 15.013 5.136 1.00 0.00 N ATOM 31 CA ARG A 3 -1.549 14.705 6.119 1.00 0.00 C ATOM 32 C ARG A 3 -0.430 13.936 5.451 1.00 0.00 C ATOM 33 O ARG A 3 -0.584 13.468 4.299 1.00 0.00 O ATOM 34 CB ARG A 3 -2.094 13.881 7.299 1.00 0.00 C ATOM 35 CG ARG A 3 -2.502 12.449 6.952 1.00 0.00 C ATOM 36 CD ARG A 3 -2.777 11.659 8.225 1.00 0.00 C ATOM 37 NE ARG A 3 -3.210 10.277 7.982 1.00 0.00 N ATOM 38 CZ ARG A 3 -2.387 9.194 7.999 1.00 0.00 C ATOM 39 NH1 ARG A 3 -1.071 9.330 7.809 1.00 0.00 N ATOM 40 NH2 ARG A 3 -2.889 7.979 8.122 1.00 0.00 N ATOM 0 H ARG A 3 -3.266 14.284 4.996 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.187 15.651 6.521 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.335 13.847 8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.958 14.398 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.391 12.459 6.322 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.711 11.966 6.379 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.874 11.645 8.835 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.544 12.174 8.803 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.198 10.118 7.787 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.672 10.255 7.649 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.466 8.509 7.824 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.897 7.850 8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.268 7.170 8.134 1.00 0.00 H new ATOM 54 N ASP A 4 0.653 13.763 6.171 1.00 0.00 N ATOM 55 CA ASP A 4 1.792 13.046 5.680 1.00 0.00 C ATOM 56 C ASP A 4 1.638 11.582 6.065 1.00 0.00 C ATOM 57 O ASP A 4 0.662 11.209 6.747 1.00 0.00 O ATOM 58 CB ASP A 4 3.088 13.608 6.263 1.00 0.00 C ATOM 59 CG ASP A 4 3.353 13.154 7.684 1.00 0.00 C ATOM 60 OD1 ASP A 4 2.611 13.534 8.619 1.00 0.00 O ATOM 61 OD2 ASP A 4 4.302 12.381 7.893 1.00 0.00 O ATOM 0 H ASP A 4 0.763 14.121 7.120 1.00 0.00 H new ATOM 0 HA ASP A 4 1.845 13.150 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.923 13.306 5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.047 14.697 6.239 1.00 0.00 H new ATOM 66 N PHE A 5 2.591 10.771 5.684 1.00 0.00 N ATOM 67 CA PHE A 5 2.495 9.346 5.860 1.00 0.00 C ATOM 68 C PHE A 5 3.744 8.811 6.510 1.00 0.00 C ATOM 69 O PHE A 5 4.847 9.284 6.238 1.00 0.00 O ATOM 70 CB PHE A 5 2.265 8.675 4.505 1.00 0.00 C ATOM 71 CG PHE A 5 0.971 9.076 3.867 1.00 0.00 C ATOM 72 CD1 PHE A 5 0.904 10.181 3.038 1.00 0.00 C ATOM 73 CD2 PHE A 5 -0.172 8.358 4.104 1.00 0.00 C ATOM 74 CE1 PHE A 5 -0.279 10.553 2.459 1.00 0.00 C ATOM 75 CE2 PHE A 5 -1.359 8.723 3.527 1.00 0.00 C ATOM 76 CZ PHE A 5 -1.415 9.823 2.702 1.00 0.00 C ATOM 0 H PHE A 5 3.457 11.081 5.242 1.00 0.00 H new ATOM 0 HA PHE A 5 1.651 9.124 6.513 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.088 8.928 3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.280 7.593 4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.797 10.758 2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.136 7.495 4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.318 11.418 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.252 8.147 3.720 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.351 10.111 2.247 1.00 0.00 H new ATOM 86 N LYS A 6 3.576 7.840 7.364 1.00 0.00 N ATOM 87 CA LYS A 6 4.684 7.254 8.082 1.00 0.00 C ATOM 88 C LYS A 6 4.904 5.827 7.594 1.00 0.00 C ATOM 89 O LYS A 6 3.989 5.226 7.043 1.00 0.00 O ATOM 90 CB LYS A 6 4.370 7.219 9.594 1.00 0.00 C ATOM 91 CG LYS A 6 4.050 8.571 10.232 1.00 0.00 C ATOM 92 CD LYS A 6 5.216 9.548 10.143 1.00 0.00 C ATOM 93 CE LYS A 6 4.885 10.866 10.841 1.00 0.00 C ATOM 94 NZ LYS A 6 3.710 11.531 10.239 1.00 0.00 N ATOM 0 H LYS A 6 2.669 7.429 7.585 1.00 0.00 H new ATOM 0 HA LYS A 6 5.578 7.853 7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.524 6.551 9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.223 6.784 10.114 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.179 9.004 9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.784 8.422 11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.101 9.104 10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.456 9.738 9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.694 10.679 11.898 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.746 11.532 10.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.688 12.529 10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.773 11.476 9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.841 11.057 10.559 1.00 0.00 H new ATOM 108 N PRO A 7 6.125 5.280 7.735 1.00 0.00 N ATOM 109 CA PRO A 7 6.370 3.857 7.470 1.00 0.00 C ATOM 110 C PRO A 7 5.465 3.034 8.380 1.00 0.00 C ATOM 111 O PRO A 7 5.476 3.207 9.605 1.00 0.00 O ATOM 112 CB PRO A 7 7.838 3.660 7.867 1.00 0.00 C ATOM 113 CG PRO A 7 8.443 5.017 7.783 1.00 0.00 C ATOM 114 CD PRO A 7 7.349 5.986 8.135 1.00 0.00 C ATOM 0 HA PRO A 7 6.174 3.558 6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.923 3.251 8.874 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.339 2.962 7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.283 5.112 8.471 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.827 5.211 6.782 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.348 6.221 9.199 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.461 6.930 7.601 1.00 0.00 H new ATOM 122 N GLY A 8 4.640 2.217 7.789 1.00 0.00 N ATOM 123 CA GLY A 8 3.702 1.459 8.549 1.00 0.00 C ATOM 124 C GLY A 8 2.284 1.943 8.363 1.00 0.00 C ATOM 125 O GLY A 8 1.340 1.253 8.754 1.00 0.00 O ATOM 0 H GLY A 8 4.602 2.062 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.766 0.410 8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.966 1.514 9.605 1.00 0.00 H new ATOM 129 N ASP A 9 2.134 3.115 7.747 1.00 0.00 N ATOM 130 CA ASP A 9 0.814 3.728 7.536 1.00 0.00 C ATOM 131 C ASP A 9 -0.014 2.857 6.615 1.00 0.00 C ATOM 132 O ASP A 9 0.473 2.389 5.561 1.00 0.00 O ATOM 133 CB ASP A 9 0.937 5.102 6.884 1.00 0.00 C ATOM 134 CG ASP A 9 0.052 6.170 7.506 1.00 0.00 C ATOM 135 OD1 ASP A 9 -1.183 5.990 7.572 1.00 0.00 O ATOM 136 OD2 ASP A 9 0.596 7.241 7.901 1.00 0.00 O ATOM 0 H ASP A 9 2.912 3.665 7.382 1.00 0.00 H new ATOM 0 HA ASP A 9 0.342 3.828 8.513 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.976 5.428 6.943 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.690 5.013 5.826 1.00 0.00 H new ATOM 141 N LEU A 10 -1.229 2.636 6.995 1.00 0.00 N ATOM 142 CA LEU A 10 -2.149 1.839 6.226 1.00 0.00 C ATOM 143 C LEU A 10 -2.857 2.737 5.278 1.00 0.00 C ATOM 144 O LEU A 10 -3.537 3.676 5.694 1.00 0.00 O ATOM 145 CB LEU A 10 -3.137 1.154 7.147 1.00 0.00 C ATOM 146 CG LEU A 10 -2.557 0.120 8.108 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.659 -0.506 8.945 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.795 -0.945 7.340 1.00 0.00 C ATOM 0 H LEU A 10 -1.624 3.006 7.860 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.613 1.067 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.646 1.919 7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.895 0.665 6.534 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.862 0.622 8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.227 -1.241 9.624 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.163 0.270 9.522 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.379 -0.997 8.290 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.387 -1.676 8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.469 -1.445 6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.981 -0.480 6.784 1.00 0.00 H new ATOM 160 N ILE A 11 -2.718 2.474 4.019 1.00 0.00 N ATOM 161 CA ILE A 11 -3.215 3.370 3.032 1.00 0.00 C ATOM 162 C ILE A 11 -3.877 2.656 1.861 1.00 0.00 C ATOM 163 O ILE A 11 -4.076 1.441 1.848 1.00 0.00 O ATOM 164 CB ILE A 11 -2.059 4.215 2.442 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.959 3.283 1.972 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.513 5.211 3.452 1.00 0.00 C ATOM 167 CD1 ILE A 11 -0.123 3.837 0.884 1.00 0.00 C ATOM 0 H ILE A 11 -2.261 1.640 3.651 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.954 3.988 3.542 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.445 4.792 1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.318 3.038 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.408 2.350 1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.704 5.783 2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.308 5.889 3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.134 4.676 4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.640 3.110 0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.749 4.056 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.357 4.754 1.225 1.00 0.00 H new ATOM 179 N PHE A 12 -4.209 3.458 0.905 1.00 0.00 N ATOM 180 CA PHE A 12 -4.685 3.079 -0.359 1.00 0.00 C ATOM 181 C PHE A 12 -3.804 3.793 -1.325 1.00 0.00 C ATOM 182 O PHE A 12 -3.628 5.020 -1.228 1.00 0.00 O ATOM 183 CB PHE A 12 -6.120 3.519 -0.584 1.00 0.00 C ATOM 184 CG PHE A 12 -7.111 2.934 0.367 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.487 1.609 0.260 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.671 3.709 1.360 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.402 1.069 1.130 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.589 3.174 2.230 1.00 0.00 C ATOM 189 CZ PHE A 12 -8.954 1.855 2.116 1.00 0.00 C ATOM 0 H PHE A 12 -4.145 4.471 1.008 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.670 1.995 -0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.167 4.606 -0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.412 3.253 -1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.057 0.992 -0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.385 4.746 1.455 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.688 0.031 1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.024 3.790 3.003 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.675 1.434 2.801 1.00 0.00 H new ATOM 199 N ALA A 13 -3.227 3.070 -2.190 1.00 0.00 N ATOM 200 CA ALA A 13 -2.311 3.606 -3.119 1.00 0.00 C ATOM 201 C ALA A 13 -2.878 3.506 -4.497 1.00 0.00 C ATOM 202 O ALA A 13 -3.441 2.484 -4.871 1.00 0.00 O ATOM 203 CB ALA A 13 -1.025 2.863 -3.017 1.00 0.00 C ATOM 0 H ALA A 13 -3.376 2.065 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.127 4.658 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.311 3.271 -3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.626 2.964 -2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.195 1.809 -3.236 1.00 0.00 H new ATOM 209 N LYS A 14 -2.769 4.564 -5.231 1.00 0.00 N ATOM 210 CA LYS A 14 -3.286 4.616 -6.540 1.00 0.00 C ATOM 211 C LYS A 14 -2.146 4.618 -7.565 1.00 0.00 C ATOM 212 O LYS A 14 -1.325 5.548 -7.593 1.00 0.00 O ATOM 213 CB LYS A 14 -4.152 5.876 -6.628 1.00 0.00 C ATOM 214 CG LYS A 14 -4.903 6.069 -7.919 1.00 0.00 C ATOM 215 CD LYS A 14 -4.000 6.476 -9.067 1.00 0.00 C ATOM 216 CE LYS A 14 -3.589 7.949 -9.046 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.642 8.252 -7.939 1.00 0.00 N ATOM 0 H LYS A 14 -2.311 5.423 -4.926 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.893 3.740 -6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.873 5.856 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.513 6.745 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.417 5.143 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.670 6.831 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.102 5.859 -9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.509 6.265 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.127 8.209 -9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.478 8.571 -8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.952 8.963 -8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.169 8.622 -7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.141 7.383 -7.663 1.00 0.00 H new ATOM 231 N MET A 15 -2.156 3.630 -8.432 1.00 0.00 N ATOM 232 CA MET A 15 -1.191 3.500 -9.519 1.00 0.00 C ATOM 233 C MET A 15 -1.894 3.701 -10.832 1.00 0.00 C ATOM 234 O MET A 15 -3.104 3.581 -10.903 1.00 0.00 O ATOM 235 CB MET A 15 -0.497 2.140 -9.539 1.00 0.00 C ATOM 236 CG MET A 15 0.357 1.863 -8.339 1.00 0.00 C ATOM 237 SD MET A 15 1.367 0.383 -8.531 1.00 0.00 S ATOM 238 CE MET A 15 0.110 -0.883 -8.719 1.00 0.00 C ATOM 0 H MET A 15 -2.844 2.877 -8.407 1.00 0.00 H new ATOM 0 HA MET A 15 -0.425 4.258 -9.358 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.255 1.360 -9.618 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.122 2.075 -10.433 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.006 2.719 -8.154 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.281 1.751 -7.462 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.327 -1.714 -8.048 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.867 -0.465 -8.475 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.105 -1.240 -9.749 1.00 0.00 H new ATOM 248 N LYS A 16 -1.155 4.040 -11.861 1.00 0.00 N ATOM 249 CA LYS A 16 -1.743 4.236 -13.169 1.00 0.00 C ATOM 250 C LYS A 16 -2.276 2.899 -13.684 1.00 0.00 C ATOM 251 O LYS A 16 -1.519 1.957 -13.854 1.00 0.00 O ATOM 252 CB LYS A 16 -0.710 4.798 -14.138 1.00 0.00 C ATOM 253 CG LYS A 16 -1.299 5.172 -15.490 1.00 0.00 C ATOM 254 CD LYS A 16 -0.233 5.630 -16.463 1.00 0.00 C ATOM 255 CE LYS A 16 0.441 6.942 -16.048 1.00 0.00 C ATOM 256 NZ LYS A 16 -0.514 8.090 -16.029 1.00 0.00 N ATOM 0 H LYS A 16 -0.146 4.186 -11.821 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.563 4.950 -13.092 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.247 5.679 -13.694 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.080 4.062 -14.284 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.826 4.314 -15.906 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.035 5.965 -15.358 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.525 4.852 -16.553 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.680 5.755 -17.449 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.883 6.824 -15.059 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.257 7.162 -16.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.012 8.977 -15.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.029 8.128 -16.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.191 7.966 -15.249 1.00 0.00 H new ATOM 270 N GLY A 17 -3.576 2.828 -13.891 1.00 0.00 N ATOM 271 CA GLY A 17 -4.191 1.598 -14.351 1.00 0.00 C ATOM 272 C GLY A 17 -4.860 0.862 -13.206 1.00 0.00 C ATOM 273 O GLY A 17 -5.568 -0.143 -13.409 1.00 0.00 O ATOM 0 H GLY A 17 -4.224 3.603 -13.749 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.927 1.822 -15.123 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.436 0.958 -14.807 1.00 0.00 H new ATOM 277 N TYR A 18 -4.654 1.360 -12.012 1.00 0.00 N ATOM 278 CA TYR A 18 -5.225 0.798 -10.822 1.00 0.00 C ATOM 279 C TYR A 18 -6.044 1.837 -10.078 1.00 0.00 C ATOM 280 O TYR A 18 -5.753 3.029 -10.139 1.00 0.00 O ATOM 281 CB TYR A 18 -4.133 0.273 -9.877 1.00 0.00 C ATOM 282 CG TYR A 18 -3.483 -1.029 -10.281 1.00 0.00 C ATOM 283 CD1 TYR A 18 -2.392 -1.067 -11.140 1.00 0.00 C ATOM 284 CD2 TYR A 18 -3.956 -2.228 -9.776 1.00 0.00 C ATOM 285 CE1 TYR A 18 -1.800 -2.273 -11.479 1.00 0.00 C ATOM 286 CE2 TYR A 18 -3.371 -3.426 -10.105 1.00 0.00 C ATOM 287 CZ TYR A 18 -2.301 -3.447 -10.955 1.00 0.00 C ATOM 288 OH TYR A 18 -1.714 -4.641 -11.256 1.00 0.00 O ATOM 0 H TYR A 18 -4.074 2.182 -11.841 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.865 -0.028 -11.132 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.357 1.033 -9.792 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.567 0.148 -8.885 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.001 -0.147 -11.548 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.805 -2.221 -9.108 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.953 -2.294 -12.148 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.755 -4.348 -9.694 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.828 -4.684 -10.839 1.00 0.00 H new ATOM 298 N PRO A 19 -7.100 1.406 -9.399 1.00 0.00 N ATOM 299 CA PRO A 19 -7.838 2.264 -8.500 1.00 0.00 C ATOM 300 C PRO A 19 -7.066 2.358 -7.186 1.00 0.00 C ATOM 301 O PRO A 19 -6.045 1.672 -7.031 1.00 0.00 O ATOM 302 CB PRO A 19 -9.158 1.513 -8.295 1.00 0.00 C ATOM 303 CG PRO A 19 -8.802 0.079 -8.463 1.00 0.00 C ATOM 304 CD PRO A 19 -7.663 0.041 -9.448 1.00 0.00 C ATOM 0 HA PRO A 19 -7.992 3.278 -8.869 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.574 1.705 -7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.908 1.823 -9.022 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.508 -0.363 -7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.654 -0.493 -8.831 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.920 -0.707 -9.170 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.010 -0.211 -10.450 1.00 0.00 H new ATOM 312 N HIS A 20 -7.488 3.232 -6.290 1.00 0.00 N ATOM 313 CA HIS A 20 -6.861 3.319 -4.973 1.00 0.00 C ATOM 314 C HIS A 20 -6.976 1.944 -4.300 1.00 0.00 C ATOM 315 O HIS A 20 -8.072 1.504 -3.969 1.00 0.00 O ATOM 316 CB HIS A 20 -7.551 4.390 -4.113 1.00 0.00 C ATOM 317 CG HIS A 20 -7.409 5.783 -4.639 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.291 6.378 -5.523 1.00 0.00 N ATOM 319 CD2 HIS A 20 -6.455 6.700 -4.402 1.00 0.00 C ATOM 320 CE1 HIS A 20 -7.841 7.604 -5.792 1.00 0.00 C ATOM 321 NE2 HIS A 20 -6.731 7.853 -5.136 1.00 0.00 N ATOM 0 H HIS A 20 -8.254 3.888 -6.443 1.00 0.00 H new ATOM 0 HA HIS A 20 -5.814 3.603 -5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.611 4.149 -4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.140 4.351 -3.104 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -9.137 5.953 -5.903 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.608 6.565 -3.746 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.325 8.300 -6.461 1.00 0.00 H new ATOM 329 N TRP A 21 -5.861 1.289 -4.145 1.00 0.00 N ATOM 330 CA TRP A 21 -5.797 -0.096 -3.715 1.00 0.00 C ATOM 331 C TRP A 21 -5.185 -0.164 -2.317 1.00 0.00 C ATOM 332 O TRP A 21 -4.266 0.597 -2.035 1.00 0.00 O ATOM 333 CB TRP A 21 -4.869 -0.788 -4.713 1.00 0.00 C ATOM 334 CG TRP A 21 -4.886 -2.277 -4.736 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.339 -3.137 -3.832 1.00 0.00 C ATOM 336 CD2 TRP A 21 -5.436 -3.077 -5.772 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.543 -4.427 -4.236 1.00 0.00 N ATOM 338 CE2 TRP A 21 -5.211 -4.415 -5.433 1.00 0.00 C ATOM 339 CE3 TRP A 21 -6.110 -2.783 -6.956 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -5.631 -5.459 -6.239 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -6.526 -3.821 -7.759 1.00 0.00 C ATOM 342 CH2 TRP A 21 -6.285 -5.147 -7.395 1.00 0.00 C ATOM 0 H TRP A 21 -4.945 1.704 -4.316 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.781 -0.563 -3.680 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -5.120 -0.431 -5.712 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.849 -0.465 -4.507 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.821 -2.843 -2.931 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.247 -5.262 -3.730 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -6.303 -1.759 -7.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -5.447 -6.487 -5.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -7.045 -3.607 -8.682 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -6.623 -5.943 -8.042 1.00 0.00 H new ATOM 353 N PRO A 22 -5.678 -1.060 -1.421 1.00 0.00 N ATOM 354 CA PRO A 22 -5.120 -1.208 -0.076 1.00 0.00 C ATOM 355 C PRO A 22 -3.640 -1.551 -0.135 1.00 0.00 C ATOM 356 O PRO A 22 -3.242 -2.586 -0.687 1.00 0.00 O ATOM 357 CB PRO A 22 -5.895 -2.382 0.535 1.00 0.00 C ATOM 358 CG PRO A 22 -7.113 -2.537 -0.298 1.00 0.00 C ATOM 359 CD PRO A 22 -6.786 -1.998 -1.659 1.00 0.00 C ATOM 0 HA PRO A 22 -5.210 -0.288 0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.296 -3.293 0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.155 -2.181 1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -7.408 -3.585 -0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.951 -1.995 0.140 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.493 -2.795 -2.343 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.644 -1.495 -2.105 1.00 0.00 H new ATOM 367 N ALA A 23 -2.839 -0.697 0.415 1.00 0.00 N ATOM 368 CA ALA A 23 -1.440 -0.849 0.399 1.00 0.00 C ATOM 369 C ALA A 23 -0.886 -0.309 1.690 1.00 0.00 C ATOM 370 O ALA A 23 -1.609 0.307 2.469 1.00 0.00 O ATOM 371 CB ALA A 23 -0.872 -0.116 -0.786 1.00 0.00 C ATOM 0 H ALA A 23 -3.158 0.143 0.897 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.166 -1.900 0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.212 -0.232 -0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.293 -0.526 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.122 0.942 -0.713 1.00 0.00 H new ATOM 377 N ARG A 24 0.330 -0.582 1.966 1.00 0.00 N ATOM 378 CA ARG A 24 0.934 -0.061 3.148 1.00 0.00 C ATOM 379 C ARG A 24 2.161 0.719 2.759 1.00 0.00 C ATOM 380 O ARG A 24 2.828 0.373 1.772 1.00 0.00 O ATOM 381 CB ARG A 24 1.335 -1.195 4.097 1.00 0.00 C ATOM 382 CG ARG A 24 1.738 -0.711 5.477 1.00 0.00 C ATOM 383 CD ARG A 24 2.320 -1.814 6.334 1.00 0.00 C ATOM 384 NE ARG A 24 3.659 -2.197 5.896 1.00 0.00 N ATOM 385 CZ ARG A 24 4.778 -1.920 6.578 1.00 0.00 C ATOM 386 NH1 ARG A 24 4.727 -1.441 7.806 1.00 0.00 N ATOM 387 NH2 ARG A 24 5.938 -2.184 6.067 1.00 0.00 N ATOM 0 H ARG A 24 0.938 -1.166 1.392 1.00 0.00 H new ATOM 0 HA ARG A 24 0.218 0.582 3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.501 -1.890 4.193 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.164 -1.750 3.658 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.470 0.091 5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.867 -0.288 5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.358 -1.485 7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.664 -2.684 6.300 1.00 0.00 H new ATOM 0 HE ARG A 24 3.748 -2.707 5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.825 -1.276 8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.590 -1.236 8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.003 -2.605 5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.787 -1.971 6.591 1.00 0.00 H new ATOM 401 N VAL A 25 2.426 1.791 3.473 1.00 0.00 N ATOM 402 CA VAL A 25 3.675 2.487 3.309 1.00 0.00 C ATOM 403 C VAL A 25 4.695 1.612 3.989 1.00 0.00 C ATOM 404 O VAL A 25 4.615 1.401 5.196 1.00 0.00 O ATOM 405 CB VAL A 25 3.666 3.892 3.970 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.000 4.602 3.756 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.528 4.737 3.420 1.00 0.00 C ATOM 0 H VAL A 25 1.796 2.194 4.167 1.00 0.00 H new ATOM 0 HA VAL A 25 3.884 2.657 2.253 1.00 0.00 H new ATOM 0 HB VAL A 25 3.514 3.758 5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.969 5.584 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.802 4.011 4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.183 4.718 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.540 5.717 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.650 4.855 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.577 4.245 3.626 1.00 0.00 H new ATOM 417 N ASP A 26 5.584 1.070 3.228 1.00 0.00 N ATOM 418 CA ASP A 26 6.506 0.082 3.730 1.00 0.00 C ATOM 419 C ASP A 26 7.737 0.738 4.328 1.00 0.00 C ATOM 420 O ASP A 26 7.817 1.979 4.404 1.00 0.00 O ATOM 421 CB ASP A 26 6.859 -0.961 2.662 1.00 0.00 C ATOM 422 CG ASP A 26 7.127 -2.309 3.298 1.00 0.00 C ATOM 423 OD1 ASP A 26 6.154 -3.051 3.531 1.00 0.00 O ATOM 424 OD2 ASP A 26 8.266 -2.603 3.663 1.00 0.00 O ATOM 0 H ASP A 26 5.700 1.292 2.239 1.00 0.00 H new ATOM 0 HA ASP A 26 6.009 -0.460 4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.041 -1.047 1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.737 -0.635 2.105 1.00 0.00 H new ATOM 429 N GLU A 27 8.678 -0.057 4.742 1.00 0.00 N ATOM 430 CA GLU A 27 9.825 0.436 5.455 1.00 0.00 C ATOM 431 C GLU A 27 10.944 0.753 4.475 1.00 0.00 C ATOM 432 O GLU A 27 10.918 0.346 3.307 1.00 0.00 O ATOM 433 CB GLU A 27 10.373 -0.633 6.420 1.00 0.00 C ATOM 434 CG GLU A 27 9.351 -1.386 7.266 1.00 0.00 C ATOM 435 CD GLU A 27 8.450 -0.507 8.091 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.920 0.486 8.652 1.00 0.00 O ATOM 437 OE2 GLU A 27 7.252 -0.860 8.204 1.00 0.00 O ATOM 0 H GLU A 27 8.675 -1.067 4.596 1.00 0.00 H new ATOM 0 HA GLU A 27 9.511 1.323 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.934 -1.363 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.082 -0.151 7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.735 -1.999 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.881 -2.067 7.932 1.00 0.00 H new ATOM 444 N VAL A 28 11.906 1.494 4.942 1.00 0.00 N ATOM 445 CA VAL A 28 13.106 1.740 4.189 1.00 0.00 C ATOM 446 C VAL A 28 14.116 0.713 4.615 1.00 0.00 C ATOM 447 O VAL A 28 14.437 0.611 5.801 1.00 0.00 O ATOM 448 CB VAL A 28 13.685 3.145 4.434 1.00 0.00 C ATOM 449 CG1 VAL A 28 14.945 3.379 3.592 1.00 0.00 C ATOM 450 CG2 VAL A 28 12.643 4.177 4.134 1.00 0.00 C ATOM 0 H VAL A 28 11.883 1.946 5.856 1.00 0.00 H new ATOM 0 HA VAL A 28 12.871 1.676 3.127 1.00 0.00 H new ATOM 0 HB VAL A 28 13.974 3.227 5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.332 4.380 3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.702 2.640 3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.699 3.284 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.055 5.171 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.334 4.090 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.781 4.023 4.783 1.00 0.00 H new ATOM 460 N PRO A 29 14.597 -0.083 3.689 1.00 0.00 N ATOM 461 CA PRO A 29 15.532 -1.120 4.004 1.00 0.00 C ATOM 462 C PRO A 29 16.910 -0.601 4.347 1.00 0.00 C ATOM 463 O PRO A 29 17.388 0.372 3.749 1.00 0.00 O ATOM 464 CB PRO A 29 15.624 -1.961 2.738 1.00 0.00 C ATOM 465 CG PRO A 29 15.120 -1.094 1.633 1.00 0.00 C ATOM 466 CD PRO A 29 14.247 -0.043 2.262 1.00 0.00 C ATOM 0 HA PRO A 29 15.193 -1.669 4.882 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.651 -2.274 2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.025 -2.868 2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.949 -0.635 1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.556 -1.681 0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.438 0.941 1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.190 -0.259 2.106 1.00 0.00 H new ATOM 474 N ASP A 30 17.544 -1.245 5.295 1.00 0.00 N ATOM 475 CA ASP A 30 18.932 -0.969 5.564 1.00 0.00 C ATOM 476 C ASP A 30 19.730 -1.528 4.405 1.00 0.00 C ATOM 477 O ASP A 30 19.272 -2.456 3.702 1.00 0.00 O ATOM 478 CB ASP A 30 19.404 -1.566 6.895 1.00 0.00 C ATOM 479 CG ASP A 30 20.885 -1.307 7.138 1.00 0.00 C ATOM 480 OD1 ASP A 30 21.350 -0.176 6.835 1.00 0.00 O ATOM 481 OD2 ASP A 30 21.587 -2.235 7.558 1.00 0.00 O ATOM 0 H ASP A 30 17.124 -1.959 5.890 1.00 0.00 H new ATOM 0 HA ASP A 30 19.078 0.107 5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.822 -1.139 7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.218 -2.640 6.898 1.00 0.00 H new ATOM 486 N GLY A 31 20.857 -0.962 4.152 1.00 0.00 N ATOM 487 CA GLY A 31 21.608 -1.349 3.009 1.00 0.00 C ATOM 488 C GLY A 31 21.149 -0.589 1.777 1.00 0.00 C ATOM 489 O GLY A 31 21.638 -0.837 0.633 1.00 0.00 O ATOM 0 H GLY A 31 21.280 -0.229 4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 31 22.667 -1.161 3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 31 21.498 -2.421 2.842 1.00 0.00 H new ATOM 493 N ALA A 32 20.163 0.290 1.951 1.00 0.00 N ATOM 494 CA ALA A 32 19.752 1.170 0.886 1.00 0.00 C ATOM 495 C ALA A 32 20.771 2.283 0.674 1.00 0.00 C ATOM 496 O ALA A 32 20.619 3.390 1.133 1.00 0.00 O ATOM 497 CB ALA A 32 18.359 1.723 1.086 1.00 0.00 C ATOM 0 H ALA A 32 19.642 0.403 2.821 1.00 0.00 H new ATOM 0 HA ALA A 32 19.712 0.568 -0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 32 18.105 2.378 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 32 17.644 0.901 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 32 18.322 2.289 2.017 1.00 0.00 H new ATOM 503 N VAL A 33 21.851 1.906 0.042 1.00 0.00 N ATOM 504 CA VAL A 33 22.935 2.812 -0.319 1.00 0.00 C ATOM 505 C VAL A 33 22.760 3.276 -1.754 1.00 0.00 C ATOM 506 O VAL A 33 23.608 3.934 -2.331 1.00 0.00 O ATOM 507 CB VAL A 33 24.304 2.118 -0.167 1.00 0.00 C ATOM 508 CG1 VAL A 33 24.548 1.752 1.288 1.00 0.00 C ATOM 509 CG2 VAL A 33 24.395 0.870 -1.051 1.00 0.00 C ATOM 0 H VAL A 33 22.015 0.942 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 33 22.903 3.670 0.352 1.00 0.00 H new ATOM 0 HB VAL A 33 25.075 2.817 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 33 25.517 1.263 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 33 24.537 2.656 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 33 23.765 1.075 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 33 25.371 0.403 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 33 23.615 0.164 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 33 24.264 1.153 -2.095 1.00 0.00 H new ATOM 519 N LYS A 34 21.654 2.896 -2.305 1.00 0.00 N ATOM 520 CA LYS A 34 21.283 3.244 -3.619 1.00 0.00 C ATOM 521 C LYS A 34 20.162 4.259 -3.498 1.00 0.00 C ATOM 522 O LYS A 34 19.338 4.137 -2.582 1.00 0.00 O ATOM 523 CB LYS A 34 20.831 1.996 -4.435 1.00 0.00 C ATOM 524 CG LYS A 34 19.584 1.225 -3.922 1.00 0.00 C ATOM 525 CD LYS A 34 19.838 0.326 -2.694 1.00 0.00 C ATOM 526 CE LYS A 34 20.798 -0.825 -2.999 1.00 0.00 C ATOM 527 NZ LYS A 34 20.927 -1.774 -1.846 1.00 0.00 N ATOM 0 H LYS A 34 20.966 2.314 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 34 22.131 3.664 -4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.633 2.315 -5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 34 21.667 1.298 -4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 34 18.806 1.946 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 34 19.197 0.608 -4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 34 20.246 0.930 -1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.889 -0.080 -2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.445 -1.367 -3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 34 21.780 -0.421 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 21.768 -2.371 -1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 21.022 -1.235 -0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.080 -2.376 -1.795 1.00 0.00 H new ATOM 541 N PRO A 35 20.132 5.283 -4.357 1.00 0.00 N ATOM 542 CA PRO A 35 19.113 6.323 -4.283 1.00 0.00 C ATOM 543 C PRO A 35 17.694 5.775 -4.499 1.00 0.00 C ATOM 544 O PRO A 35 17.460 4.971 -5.407 1.00 0.00 O ATOM 545 CB PRO A 35 19.486 7.292 -5.416 1.00 0.00 C ATOM 546 CG PRO A 35 20.366 6.507 -6.327 1.00 0.00 C ATOM 547 CD PRO A 35 21.080 5.514 -5.460 1.00 0.00 C ATOM 0 HA PRO A 35 19.094 6.789 -3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.598 7.649 -5.937 1.00 0.00 H new ATOM 0 HB3 PRO A 35 20.003 8.170 -5.029 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.781 6.003 -7.096 1.00 0.00 H new ATOM 0 HG3 PRO A 35 21.075 7.157 -6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 35 21.300 4.593 -6.000 1.00 0.00 H new ATOM 0 HD3 PRO A 35 22.030 5.906 -5.098 1.00 0.00 H new ATOM 555 N PRO A 36 16.734 6.182 -3.652 1.00 0.00 N ATOM 556 CA PRO A 36 15.350 5.784 -3.798 1.00 0.00 C ATOM 557 C PRO A 36 14.661 6.559 -4.915 1.00 0.00 C ATOM 558 O PRO A 36 15.192 7.540 -5.436 1.00 0.00 O ATOM 559 CB PRO A 36 14.704 6.136 -2.442 1.00 0.00 C ATOM 560 CG PRO A 36 15.817 6.606 -1.564 1.00 0.00 C ATOM 561 CD PRO A 36 16.930 7.033 -2.473 1.00 0.00 C ATOM 0 HA PRO A 36 15.261 4.729 -4.056 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.947 6.911 -2.560 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.207 5.268 -2.010 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.491 7.435 -0.935 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.146 5.810 -0.896 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.864 8.092 -2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.907 6.874 -2.018 1.00 0.00 H new ATOM 569 N THR A 37 13.460 6.148 -5.229 1.00 0.00 N ATOM 570 CA THR A 37 12.645 6.727 -6.275 1.00 0.00 C ATOM 571 C THR A 37 12.115 8.151 -5.884 1.00 0.00 C ATOM 572 O THR A 37 11.294 8.767 -6.623 1.00 0.00 O ATOM 573 CB THR A 37 11.466 5.776 -6.507 1.00 0.00 C ATOM 574 OG1 THR A 37 11.974 4.434 -6.530 1.00 0.00 O ATOM 575 CG2 THR A 37 10.775 6.072 -7.826 1.00 0.00 C ATOM 0 H THR A 37 13.003 5.373 -4.748 1.00 0.00 H new ATOM 0 HA THR A 37 13.243 6.851 -7.178 1.00 0.00 H new ATOM 0 HB THR A 37 10.737 5.906 -5.707 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.275 3.815 -6.233 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.943 5.382 -7.964 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.400 7.096 -7.819 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.485 5.952 -8.644 1.00 0.00 H new ATOM 583 N ASN A 38 12.604 8.665 -4.738 1.00 0.00 N ATOM 584 CA ASN A 38 12.225 9.984 -4.186 1.00 0.00 C ATOM 585 C ASN A 38 10.755 9.984 -3.833 1.00 0.00 C ATOM 586 O ASN A 38 10.084 11.008 -3.850 1.00 0.00 O ATOM 587 CB ASN A 38 12.547 11.115 -5.186 1.00 0.00 C ATOM 588 CG ASN A 38 14.029 11.228 -5.504 1.00 0.00 C ATOM 589 OD1 ASN A 38 14.765 11.930 -4.838 1.00 0.00 O ATOM 590 ND2 ASN A 38 14.470 10.529 -6.529 1.00 0.00 N ATOM 0 H ASN A 38 13.283 8.170 -4.160 1.00 0.00 H new ATOM 0 HA ASN A 38 12.807 10.166 -3.283 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.996 10.942 -6.110 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.196 12.063 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.457 10.567 -6.785 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.825 9.950 -7.067 1.00 0.00 H new ATOM 597 N LYS A 39 10.265 8.806 -3.517 1.00 0.00 N ATOM 598 CA LYS A 39 8.889 8.587 -3.184 1.00 0.00 C ATOM 599 C LYS A 39 8.805 7.616 -2.046 1.00 0.00 C ATOM 600 O LYS A 39 9.836 7.113 -1.580 1.00 0.00 O ATOM 601 CB LYS A 39 8.154 8.028 -4.389 1.00 0.00 C ATOM 602 CG LYS A 39 8.119 8.978 -5.538 1.00 0.00 C ATOM 603 CD LYS A 39 7.424 8.402 -6.730 1.00 0.00 C ATOM 604 CE LYS A 39 7.431 9.403 -7.840 1.00 0.00 C ATOM 605 NZ LYS A 39 8.826 9.766 -8.246 1.00 0.00 N ATOM 0 H LYS A 39 10.832 7.958 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 39 8.429 9.531 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.635 7.102 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.133 7.776 -4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.614 9.895 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.138 9.252 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.922 7.486 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.399 8.134 -6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.895 8.999 -8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.898 10.300 -7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.892 9.785 -9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.065 10.705 -7.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.492 9.061 -7.870 1.00 0.00 H new ATOM 619 N LEU A 40 7.609 7.317 -1.644 1.00 0.00 N ATOM 620 CA LEU A 40 7.384 6.432 -0.522 1.00 0.00 C ATOM 621 C LEU A 40 7.264 4.997 -1.004 1.00 0.00 C ATOM 622 O LEU A 40 6.674 4.749 -2.069 1.00 0.00 O ATOM 623 CB LEU A 40 6.115 6.839 0.245 1.00 0.00 C ATOM 624 CG LEU A 40 6.130 8.225 0.909 1.00 0.00 C ATOM 625 CD1 LEU A 40 4.773 8.537 1.500 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.190 8.288 2.000 1.00 0.00 C ATOM 0 H LEU A 40 6.757 7.674 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 40 8.236 6.510 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.272 6.800 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.929 6.093 1.017 1.00 0.00 H new ATOM 0 HG LEU A 40 6.368 8.965 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.797 9.521 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.022 8.528 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.521 7.786 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.184 9.278 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.975 7.536 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.171 8.095 1.566 1.00 0.00 H new ATOM 638 N PRO A 41 7.851 4.039 -0.266 1.00 0.00 N ATOM 639 CA PRO A 41 7.741 2.621 -0.599 1.00 0.00 C ATOM 640 C PRO A 41 6.320 2.130 -0.311 1.00 0.00 C ATOM 641 O PRO A 41 5.818 2.272 0.801 1.00 0.00 O ATOM 642 CB PRO A 41 8.751 1.957 0.356 1.00 0.00 C ATOM 643 CG PRO A 41 8.844 2.885 1.521 1.00 0.00 C ATOM 644 CD PRO A 41 8.661 4.266 0.957 1.00 0.00 C ATOM 0 HA PRO A 41 7.941 2.399 -1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.412 0.968 0.665 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.721 1.826 -0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.077 2.660 2.263 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.808 2.791 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.149 4.922 1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.617 4.734 0.723 1.00 0.00 H new ATOM 652 N ILE A 42 5.666 1.591 -1.297 1.00 0.00 N ATOM 653 CA ILE A 42 4.302 1.162 -1.131 1.00 0.00 C ATOM 654 C ILE A 42 4.180 -0.318 -1.453 1.00 0.00 C ATOM 655 O ILE A 42 4.495 -0.743 -2.555 1.00 0.00 O ATOM 656 CB ILE A 42 3.335 1.949 -2.064 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.509 3.484 -1.928 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.894 1.549 -1.785 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.267 4.038 -0.535 1.00 0.00 C ATOM 0 H ILE A 42 6.053 1.436 -2.228 1.00 0.00 H new ATOM 0 HA ILE A 42 4.026 1.353 -0.094 1.00 0.00 H new ATOM 0 HB ILE A 42 3.588 1.687 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.520 3.748 -2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.826 3.975 -2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.228 2.106 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.772 0.481 -1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.649 1.773 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.413 5.118 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.247 3.812 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.968 3.582 0.165 1.00 0.00 H new ATOM 671 N PHE A 43 3.725 -1.074 -0.512 1.00 0.00 N ATOM 672 CA PHE A 43 3.518 -2.498 -0.695 1.00 0.00 C ATOM 673 C PHE A 43 2.030 -2.761 -0.803 1.00 0.00 C ATOM 674 O PHE A 43 1.275 -2.443 0.119 1.00 0.00 O ATOM 675 CB PHE A 43 4.122 -3.312 0.470 1.00 0.00 C ATOM 676 CG PHE A 43 3.913 -4.808 0.337 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.793 -5.581 -0.400 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.821 -5.430 0.931 1.00 0.00 C ATOM 679 CE1 PHE A 43 4.592 -6.942 -0.538 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.615 -6.786 0.791 1.00 0.00 C ATOM 681 CZ PHE A 43 3.498 -7.541 0.060 1.00 0.00 C ATOM 0 H PHE A 43 3.480 -0.733 0.418 1.00 0.00 H new ATOM 0 HA PHE A 43 4.023 -2.815 -1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.191 -3.107 0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.679 -2.973 1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.646 -5.116 -0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.124 -4.843 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.288 -7.536 -1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.760 -7.254 1.256 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.338 -8.604 -0.048 1.00 0.00 H new ATOM 691 N PHE A 44 1.609 -3.293 -1.920 1.00 0.00 N ATOM 692 CA PHE A 44 0.184 -3.584 -2.150 1.00 0.00 C ATOM 693 C PHE A 44 -0.274 -4.893 -1.543 1.00 0.00 C ATOM 694 O PHE A 44 0.387 -5.931 -1.668 1.00 0.00 O ATOM 695 CB PHE A 44 -0.171 -3.551 -3.629 1.00 0.00 C ATOM 696 CG PHE A 44 -0.116 -2.185 -4.196 1.00 0.00 C ATOM 697 CD1 PHE A 44 1.078 -1.635 -4.569 1.00 0.00 C ATOM 698 CD2 PHE A 44 -1.266 -1.438 -4.334 1.00 0.00 C ATOM 699 CE1 PHE A 44 1.134 -0.372 -5.060 1.00 0.00 C ATOM 700 CE2 PHE A 44 -1.216 -0.165 -4.837 1.00 0.00 C ATOM 701 CZ PHE A 44 -0.012 0.370 -5.197 1.00 0.00 C ATOM 0 H PHE A 44 2.220 -3.541 -2.698 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.351 -2.785 -1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.515 -4.196 -4.178 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.172 -3.958 -3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.986 -2.212 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.216 -1.861 -4.043 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.086 0.052 -5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.122 0.412 -4.948 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.038 1.375 -5.589 1.00 0.00 H new ATOM 711 N PHE A 45 -1.422 -4.843 -0.919 1.00 0.00 N ATOM 712 CA PHE A 45 -2.026 -5.997 -0.314 1.00 0.00 C ATOM 713 C PHE A 45 -2.837 -6.763 -1.353 1.00 0.00 C ATOM 714 O PHE A 45 -3.353 -6.176 -2.305 1.00 0.00 O ATOM 715 CB PHE A 45 -2.950 -5.582 0.829 1.00 0.00 C ATOM 716 CG PHE A 45 -2.255 -5.035 2.031 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.623 -5.882 2.895 1.00 0.00 C ATOM 718 CD2 PHE A 45 -2.250 -3.687 2.305 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.995 -5.413 4.011 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.622 -3.202 3.428 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.991 -4.069 4.286 1.00 0.00 C ATOM 0 H PHE A 45 -1.969 -3.988 -0.816 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.232 -6.632 0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.648 -4.832 0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.541 -6.446 1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.620 -6.943 2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.744 -3.003 1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.500 -6.101 4.680 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.625 -2.142 3.635 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.496 -3.696 5.170 1.00 0.00 H new ATOM 731 N GLY A 46 -2.908 -8.058 -1.186 1.00 0.00 N ATOM 732 CA GLY A 46 -3.687 -8.940 -2.039 1.00 0.00 C ATOM 733 C GLY A 46 -3.024 -9.271 -3.357 1.00 0.00 C ATOM 734 O GLY A 46 -3.345 -10.278 -3.971 1.00 0.00 O ATOM 0 H GLY A 46 -2.417 -8.547 -0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.884 -9.867 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.653 -8.476 -2.237 1.00 0.00 H new ATOM 738 N THR A 47 -2.094 -8.459 -3.786 1.00 0.00 N ATOM 739 CA THR A 47 -1.343 -8.770 -4.975 1.00 0.00 C ATOM 740 C THR A 47 0.139 -8.884 -4.659 1.00 0.00 C ATOM 741 O THR A 47 0.882 -9.560 -5.362 1.00 0.00 O ATOM 742 CB THR A 47 -1.567 -7.702 -6.057 1.00 0.00 C ATOM 743 OG1 THR A 47 -1.335 -6.394 -5.501 1.00 0.00 O ATOM 744 CG2 THR A 47 -2.976 -7.782 -6.621 1.00 0.00 C ATOM 0 H THR A 47 -1.839 -7.581 -3.333 1.00 0.00 H new ATOM 0 HA THR A 47 -1.697 -9.729 -5.353 1.00 0.00 H new ATOM 0 HB THR A 47 -0.865 -7.884 -6.871 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.961 -5.807 -6.191 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.106 -7.015 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.135 -8.765 -7.064 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.698 -7.623 -5.820 1.00 0.00 H new ATOM 752 N HIS A 48 0.550 -8.247 -3.543 1.00 0.00 N ATOM 753 CA HIS A 48 1.950 -8.221 -3.087 1.00 0.00 C ATOM 754 C HIS A 48 2.834 -7.436 -4.042 1.00 0.00 C ATOM 755 O HIS A 48 4.052 -7.589 -4.048 1.00 0.00 O ATOM 756 CB HIS A 48 2.522 -9.632 -2.783 1.00 0.00 C ATOM 757 CG HIS A 48 1.979 -10.247 -1.520 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.778 -10.795 -0.526 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.710 -10.409 -1.091 1.00 0.00 C ATOM 760 CE1 HIS A 48 2.007 -11.263 0.442 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.760 -11.041 0.120 1.00 0.00 N ATOM 0 H HIS A 48 -0.086 -7.734 -2.932 1.00 0.00 H new ATOM 0 HA HIS A 48 1.951 -7.694 -2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.301 -10.292 -3.622 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.607 -9.566 -2.707 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.184 -10.096 -1.610 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.350 -11.746 1.345 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.050 -11.299 0.684 1.00 0.00 H new ATOM 770 N GLU A 49 2.205 -6.561 -4.817 1.00 0.00 N ATOM 771 CA GLU A 49 2.902 -5.674 -5.715 1.00 0.00 C ATOM 772 C GLU A 49 3.599 -4.606 -4.910 1.00 0.00 C ATOM 773 O GLU A 49 3.294 -4.397 -3.736 1.00 0.00 O ATOM 774 CB GLU A 49 1.921 -5.013 -6.668 1.00 0.00 C ATOM 775 CG GLU A 49 1.258 -5.958 -7.641 1.00 0.00 C ATOM 776 CD GLU A 49 0.144 -5.286 -8.404 1.00 0.00 C ATOM 777 OE1 GLU A 49 -0.936 -5.099 -7.810 1.00 0.00 O ATOM 778 OE2 GLU A 49 0.335 -4.956 -9.594 1.00 0.00 O ATOM 0 H GLU A 49 1.191 -6.453 -4.834 1.00 0.00 H new ATOM 0 HA GLU A 49 3.628 -6.249 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.149 -4.512 -6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.446 -4.241 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.001 -6.338 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.861 -6.817 -7.100 1.00 0.00 H new ATOM 785 N THR A 50 4.511 -3.938 -5.500 1.00 0.00 N ATOM 786 CA THR A 50 5.204 -2.906 -4.814 1.00 0.00 C ATOM 787 C THR A 50 5.343 -1.715 -5.727 1.00 0.00 C ATOM 788 O THR A 50 5.581 -1.865 -6.923 1.00 0.00 O ATOM 789 CB THR A 50 6.589 -3.365 -4.377 1.00 0.00 C ATOM 790 OG1 THR A 50 6.507 -4.688 -3.824 1.00 0.00 O ATOM 791 CG2 THR A 50 7.131 -2.438 -3.312 1.00 0.00 C ATOM 0 H THR A 50 4.802 -4.084 -6.466 1.00 0.00 H new ATOM 0 HA THR A 50 4.634 -2.642 -3.923 1.00 0.00 H new ATOM 0 HB THR A 50 7.247 -3.358 -5.246 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.399 -4.982 -3.545 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.122 -2.775 -3.006 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.199 -1.426 -3.711 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.464 -2.444 -2.450 1.00 0.00 H new ATOM 799 N ALA A 51 5.177 -0.568 -5.170 1.00 0.00 N ATOM 800 CA ALA A 51 5.270 0.670 -5.907 1.00 0.00 C ATOM 801 C ALA A 51 5.955 1.734 -5.100 1.00 0.00 C ATOM 802 O ALA A 51 6.314 1.525 -3.938 1.00 0.00 O ATOM 803 CB ALA A 51 3.899 1.166 -6.267 1.00 0.00 C ATOM 0 H ALA A 51 4.970 -0.447 -4.179 1.00 0.00 H new ATOM 0 HA ALA A 51 5.850 0.468 -6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.984 2.100 -6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.393 0.422 -6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.323 1.336 -5.357 1.00 0.00 H new ATOM 809 N PHE A 52 6.147 2.859 -5.733 1.00 0.00 N ATOM 810 CA PHE A 52 6.677 4.041 -5.126 1.00 0.00 C ATOM 811 C PHE A 52 5.816 5.198 -5.557 1.00 0.00 C ATOM 812 O PHE A 52 5.814 5.565 -6.737 1.00 0.00 O ATOM 813 CB PHE A 52 8.123 4.280 -5.548 1.00 0.00 C ATOM 814 CG PHE A 52 9.094 3.231 -5.065 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.628 3.307 -3.788 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.474 2.177 -5.884 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.519 2.353 -3.336 1.00 0.00 C ATOM 818 CE2 PHE A 52 10.364 1.220 -5.435 1.00 0.00 C ATOM 819 CZ PHE A 52 10.886 1.308 -4.159 1.00 0.00 C ATOM 0 H PHE A 52 5.929 2.978 -6.722 1.00 0.00 H new ATOM 0 HA PHE A 52 6.671 3.932 -4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.168 4.326 -6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.442 5.253 -5.174 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.344 4.122 -3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.070 2.104 -6.883 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.928 2.425 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.651 0.404 -6.081 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.580 0.560 -3.806 1.00 0.00 H new ATOM 829 N LEU A 53 5.081 5.753 -4.646 1.00 0.00 N ATOM 830 CA LEU A 53 4.176 6.840 -4.967 1.00 0.00 C ATOM 831 C LEU A 53 4.458 8.025 -4.075 1.00 0.00 C ATOM 832 O LEU A 53 5.241 7.924 -3.121 1.00 0.00 O ATOM 833 CB LEU A 53 2.715 6.406 -4.800 1.00 0.00 C ATOM 834 CG LEU A 53 2.216 5.259 -5.690 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.847 4.849 -5.245 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.172 5.669 -7.159 1.00 0.00 C ATOM 0 H LEU A 53 5.082 5.478 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 53 4.337 7.120 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.566 6.116 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.082 7.274 -4.982 1.00 0.00 H new ATOM 0 HG LEU A 53 2.911 4.425 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.489 4.034 -5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.886 4.516 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.168 5.698 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.814 4.833 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.498 6.517 -7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.172 5.950 -7.488 1.00 0.00 H new ATOM 848 N GLY A 54 3.848 9.140 -4.384 1.00 0.00 N ATOM 849 CA GLY A 54 4.017 10.301 -3.584 1.00 0.00 C ATOM 850 C GLY A 54 2.899 10.402 -2.579 1.00 0.00 C ATOM 851 O GLY A 54 1.879 9.732 -2.737 1.00 0.00 O ATOM 0 H GLY A 54 3.231 9.258 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.977 10.261 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.030 11.189 -4.216 1.00 0.00 H new ATOM 855 N PRO A 55 3.021 11.278 -1.571 1.00 0.00 N ATOM 856 CA PRO A 55 2.009 11.432 -0.497 1.00 0.00 C ATOM 857 C PRO A 55 0.675 11.987 -1.014 1.00 0.00 C ATOM 858 O PRO A 55 -0.322 12.073 -0.284 1.00 0.00 O ATOM 859 CB PRO A 55 2.668 12.418 0.474 1.00 0.00 C ATOM 860 CG PRO A 55 3.653 13.168 -0.359 1.00 0.00 C ATOM 861 CD PRO A 55 4.159 12.190 -1.381 1.00 0.00 C ATOM 0 HA PRO A 55 1.751 10.475 -0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.932 13.089 0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.160 11.896 1.295 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.184 14.027 -0.839 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.470 13.551 0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.435 12.687 -2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.044 11.661 -1.027 1.00 0.00 H new ATOM 869 N LYS A 56 0.672 12.365 -2.258 1.00 0.00 N ATOM 870 CA LYS A 56 -0.503 12.882 -2.902 1.00 0.00 C ATOM 871 C LYS A 56 -1.291 11.785 -3.600 1.00 0.00 C ATOM 872 O LYS A 56 -2.464 11.942 -3.878 1.00 0.00 O ATOM 873 CB LYS A 56 -0.136 13.970 -3.912 1.00 0.00 C ATOM 874 CG LYS A 56 0.984 13.573 -4.889 1.00 0.00 C ATOM 875 CD LYS A 56 1.115 14.560 -6.049 1.00 0.00 C ATOM 876 CE LYS A 56 -0.012 14.383 -7.074 1.00 0.00 C ATOM 877 NZ LYS A 56 0.115 13.107 -7.835 1.00 0.00 N ATOM 0 H LYS A 56 1.493 12.323 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.131 13.312 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.025 14.233 -4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.171 14.865 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.931 13.519 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.784 12.577 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.099 15.579 -5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.078 14.420 -6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.974 14.404 -6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.003 15.222 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.831 12.719 -8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.600 13.288 -8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.665 12.423 -7.277 1.00 0.00 H new ATOM 891 N ASP A 57 -0.638 10.686 -3.868 1.00 0.00 N ATOM 892 CA ASP A 57 -1.250 9.603 -4.633 1.00 0.00 C ATOM 893 C ASP A 57 -1.687 8.483 -3.748 1.00 0.00 C ATOM 894 O ASP A 57 -2.149 7.425 -4.222 1.00 0.00 O ATOM 895 CB ASP A 57 -0.299 9.098 -5.717 1.00 0.00 C ATOM 896 CG ASP A 57 -0.084 10.130 -6.790 1.00 0.00 C ATOM 897 OD1 ASP A 57 -0.921 10.222 -7.729 1.00 0.00 O ATOM 898 OD2 ASP A 57 0.882 10.908 -6.696 1.00 0.00 O ATOM 0 H ASP A 57 0.321 10.505 -3.572 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.140 10.006 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.659 8.835 -5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.703 8.189 -6.162 1.00 0.00 H new ATOM 903 N ILE A 58 -1.545 8.710 -2.476 1.00 0.00 N ATOM 904 CA ILE A 58 -1.927 7.776 -1.474 1.00 0.00 C ATOM 905 C ILE A 58 -2.879 8.421 -0.487 1.00 0.00 C ATOM 906 O ILE A 58 -2.817 9.654 -0.206 1.00 0.00 O ATOM 907 CB ILE A 58 -0.710 7.218 -0.725 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.157 8.347 -0.211 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.090 6.282 -1.597 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.393 7.886 0.486 1.00 0.00 C ATOM 0 H ILE A 58 -1.150 9.573 -2.103 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.427 6.947 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.073 6.644 0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.439 8.986 -1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.429 8.960 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.945 5.904 -1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.538 5.447 -1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.442 6.818 -2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.963 8.751 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.119 7.272 1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.001 7.298 -0.202 1.00 0.00 H new ATOM 922 N PHE A 59 -3.758 7.622 0.014 1.00 0.00 N ATOM 923 CA PHE A 59 -4.753 8.042 0.958 1.00 0.00 C ATOM 924 C PHE A 59 -4.841 7.003 2.050 1.00 0.00 C ATOM 925 O PHE A 59 -4.880 5.845 1.764 1.00 0.00 O ATOM 926 CB PHE A 59 -6.121 8.212 0.283 1.00 0.00 C ATOM 927 CG PHE A 59 -6.188 9.315 -0.739 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.771 9.096 -2.033 1.00 0.00 C ATOM 929 CD2 PHE A 59 -6.660 10.572 -0.396 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.816 10.092 -2.974 1.00 0.00 C ATOM 931 CE2 PHE A 59 -6.710 11.586 -1.336 1.00 0.00 C ATOM 932 CZ PHE A 59 -6.286 11.344 -2.631 1.00 0.00 C ATOM 0 H PHE A 59 -3.811 6.632 -0.224 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.469 9.009 1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.392 7.273 -0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.869 8.403 1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.401 8.120 -2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.992 10.762 0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.484 9.897 -3.983 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.079 12.563 -1.060 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.323 12.131 -3.370 1.00 0.00 H new ATOM 942 N PRO A 60 -4.848 7.419 3.297 1.00 0.00 N ATOM 943 CA PRO A 60 -4.874 6.508 4.439 1.00 0.00 C ATOM 944 C PRO A 60 -6.159 5.751 4.587 1.00 0.00 C ATOM 945 O PRO A 60 -7.248 6.278 4.323 1.00 0.00 O ATOM 946 CB PRO A 60 -4.638 7.401 5.626 1.00 0.00 C ATOM 947 CG PRO A 60 -4.970 8.769 5.175 1.00 0.00 C ATOM 948 CD PRO A 60 -4.830 8.805 3.702 1.00 0.00 C ATOM 0 HA PRO A 60 -4.124 5.726 4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.263 7.105 6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.602 7.340 5.961 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.986 9.032 5.469 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.305 9.497 5.640 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.645 9.363 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.902 9.292 3.404 1.00 0.00 H new ATOM 956 N TYR A 61 -6.014 4.517 5.024 1.00 0.00 N ATOM 957 CA TYR A 61 -7.100 3.596 5.240 1.00 0.00 C ATOM 958 C TYR A 61 -8.080 4.157 6.240 1.00 0.00 C ATOM 959 O TYR A 61 -9.266 4.049 6.071 1.00 0.00 O ATOM 960 CB TYR A 61 -6.547 2.238 5.729 1.00 0.00 C ATOM 961 CG TYR A 61 -7.604 1.226 6.135 1.00 0.00 C ATOM 962 CD1 TYR A 61 -8.287 0.482 5.187 1.00 0.00 C ATOM 963 CD2 TYR A 61 -7.920 1.029 7.474 1.00 0.00 C ATOM 964 CE1 TYR A 61 -9.255 -0.429 5.558 1.00 0.00 C ATOM 965 CE2 TYR A 61 -8.886 0.124 7.852 1.00 0.00 C ATOM 966 CZ TYR A 61 -9.550 -0.600 6.894 1.00 0.00 C ATOM 967 OH TYR A 61 -10.508 -1.499 7.276 1.00 0.00 O ATOM 0 H TYR A 61 -5.102 4.118 5.245 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.625 3.445 4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.935 1.805 4.937 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.889 2.415 6.580 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.058 0.617 4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.399 1.596 8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.778 -1.004 4.808 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.120 -0.015 8.897 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.589 -1.495 8.253 1.00 0.00 H new ATOM 977 N SER A 62 -7.566 4.807 7.228 1.00 0.00 N ATOM 978 CA SER A 62 -8.350 5.329 8.306 1.00 0.00 C ATOM 979 C SER A 62 -9.384 6.395 7.866 1.00 0.00 C ATOM 980 O SER A 62 -10.564 6.306 8.228 1.00 0.00 O ATOM 981 CB SER A 62 -7.388 5.845 9.345 1.00 0.00 C ATOM 982 OG SER A 62 -6.156 6.191 8.708 1.00 0.00 O ATOM 0 H SER A 62 -6.568 4.997 7.315 1.00 0.00 H new ATOM 0 HA SER A 62 -8.969 4.534 8.721 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.809 6.715 9.848 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.217 5.087 10.109 1.00 0.00 H new ATOM 0 HG SER A 62 -6.071 7.166 8.668 1.00 0.00 H new ATOM 988 N GLU A 63 -8.958 7.356 7.072 1.00 0.00 N ATOM 989 CA GLU A 63 -9.839 8.438 6.647 1.00 0.00 C ATOM 990 C GLU A 63 -10.506 8.127 5.310 1.00 0.00 C ATOM 991 O GLU A 63 -11.375 8.856 4.846 1.00 0.00 O ATOM 992 CB GLU A 63 -9.074 9.775 6.525 1.00 0.00 C ATOM 993 CG GLU A 63 -8.297 10.197 7.767 1.00 0.00 C ATOM 994 CD GLU A 63 -6.838 9.768 7.747 1.00 0.00 C ATOM 995 OE1 GLU A 63 -6.559 8.577 7.932 1.00 0.00 O ATOM 996 OE2 GLU A 63 -5.952 10.619 7.496 1.00 0.00 O ATOM 0 H GLU A 63 -8.008 7.415 6.705 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.606 8.531 7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.378 9.702 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.787 10.561 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.347 11.281 7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.779 9.774 8.648 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.084 7.065 4.676 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.598 6.756 3.337 1.00 0.00 C ATOM 1005 C ASN A 64 -11.194 5.357 3.237 1.00 0.00 C ATOM 1006 O ASN A 64 -11.450 4.869 2.137 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.495 6.943 2.277 1.00 0.00 C ATOM 1008 CG ASN A 64 -8.967 8.376 2.180 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -9.418 9.191 1.348 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -8.016 8.699 3.014 1.00 0.00 N ATOM 0 H ASN A 64 -9.401 6.402 5.042 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.408 7.460 3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.665 6.275 2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.884 6.643 1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.621 9.639 2.997 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.668 8.011 3.682 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.439 4.731 4.365 1.00 0.00 N ATOM 1018 CA LYS A 65 -12.029 3.368 4.399 1.00 0.00 C ATOM 1019 C LYS A 65 -13.446 3.316 3.805 1.00 0.00 C ATOM 1020 O LYS A 65 -13.786 2.377 3.124 1.00 0.00 O ATOM 1021 CB LYS A 65 -12.000 2.777 5.813 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.485 3.741 6.847 1.00 0.00 C ATOM 1023 CD LYS A 65 -12.569 3.142 8.231 1.00 0.00 C ATOM 1024 CE LYS A 65 -12.859 4.227 9.262 1.00 0.00 C ATOM 1025 NZ LYS A 65 -14.020 5.066 8.885 1.00 0.00 N ATOM 0 H LYS A 65 -11.246 5.126 5.285 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.400 2.748 3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.617 1.879 5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.982 2.472 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.818 4.603 6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.470 4.108 6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.353 2.385 8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.632 2.641 8.475 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.048 3.764 10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.979 4.860 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.315 5.637 9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.754 5.695 8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.807 4.455 8.587 1.00 0.00 H new ATOM 1039 N GLU A 66 -14.248 4.333 4.039 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.600 4.400 3.460 1.00 0.00 C ATOM 1041 C GLU A 66 -15.495 4.531 1.959 1.00 0.00 C ATOM 1042 O GLU A 66 -16.290 3.995 1.185 1.00 0.00 O ATOM 1043 CB GLU A 66 -16.339 5.637 3.981 1.00 0.00 C ATOM 1044 CG GLU A 66 -16.811 5.588 5.421 1.00 0.00 C ATOM 1045 CD GLU A 66 -15.736 5.290 6.435 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -14.659 5.943 6.417 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -15.937 4.413 7.300 1.00 0.00 O ATOM 0 H GLU A 66 -14.000 5.131 4.624 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.139 3.495 3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.683 6.500 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.206 5.810 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.269 6.545 5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.590 4.830 5.506 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.479 5.230 1.575 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.248 5.578 0.206 1.00 0.00 C ATOM 1056 C LYS A 67 -13.728 4.403 -0.599 1.00 0.00 C ATOM 1057 O LYS A 67 -14.342 3.971 -1.599 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.207 6.689 0.122 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.442 7.844 1.063 1.00 0.00 C ATOM 1060 CD LYS A 67 -12.393 8.933 0.900 1.00 0.00 C ATOM 1061 CE LYS A 67 -12.262 9.436 -0.529 1.00 0.00 C ATOM 1062 NZ LYS A 67 -11.111 10.352 -0.663 1.00 0.00 N ATOM 0 H LYS A 67 -13.769 5.585 2.216 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.205 5.899 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.224 6.264 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.182 7.069 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.432 8.264 0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.432 7.482 2.091 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.645 9.770 1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.428 8.550 1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.140 8.591 -1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.177 9.950 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.612 10.155 -1.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.449 11.336 -0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.461 10.211 0.136 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.601 3.888 -0.181 1.00 0.00 N ATOM 1077 CA TYR A 68 -11.907 2.899 -0.964 1.00 0.00 C ATOM 1078 C TYR A 68 -11.849 1.555 -0.260 1.00 0.00 C ATOM 1079 O TYR A 68 -11.629 0.544 -0.895 1.00 0.00 O ATOM 1080 CB TYR A 68 -10.487 3.375 -1.262 1.00 0.00 C ATOM 1081 CG TYR A 68 -10.366 4.829 -1.706 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -10.987 5.306 -2.852 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -9.591 5.708 -0.979 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -10.831 6.625 -3.250 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -9.432 7.018 -1.359 1.00 0.00 C ATOM 1086 CZ TYR A 68 -10.046 7.474 -2.492 1.00 0.00 C ATOM 1087 OH TYR A 68 -9.867 8.783 -2.880 1.00 0.00 O ATOM 0 H TYR A 68 -12.144 4.137 0.697 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.463 2.769 -1.893 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.879 3.234 -0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.064 2.739 -2.039 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.600 4.641 -3.442 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.095 5.356 -0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.318 6.986 -4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -8.825 7.685 -0.765 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.660 9.092 -3.366 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.131 1.552 1.033 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.015 0.343 1.864 1.00 0.00 C ATOM 1099 C GLY A 69 -13.182 -0.607 1.701 1.00 0.00 C ATOM 1100 O GLY A 69 -13.328 -1.568 2.448 1.00 0.00 O ATOM 0 H GLY A 69 -12.446 2.377 1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.092 -0.178 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.937 0.636 2.911 1.00 0.00 H new ATOM 1104 N LYS A 70 -13.988 -0.343 0.719 1.00 0.00 N ATOM 1105 CA LYS A 70 -15.139 -1.153 0.432 1.00 0.00 C ATOM 1106 C LYS A 70 -14.720 -2.195 -0.602 1.00 0.00 C ATOM 1107 O LYS A 70 -13.800 -1.939 -1.385 1.00 0.00 O ATOM 1108 CB LYS A 70 -16.275 -0.266 -0.120 1.00 0.00 C ATOM 1109 CG LYS A 70 -15.974 0.349 -1.481 1.00 0.00 C ATOM 1110 CD LYS A 70 -17.039 1.338 -1.909 1.00 0.00 C ATOM 1111 CE LYS A 70 -16.788 1.822 -3.330 1.00 0.00 C ATOM 1112 NZ LYS A 70 -15.396 2.302 -3.515 1.00 0.00 N ATOM 0 H LYS A 70 -13.867 0.448 0.086 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.505 -1.645 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.184 -0.862 -0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.477 0.534 0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.007 0.851 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.895 -0.443 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.022 0.870 -1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.047 2.188 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.988 1.011 -4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.484 2.627 -3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.384 3.070 -4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.027 2.655 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.800 1.518 -3.850 1.00 0.00 H new ATOM 1126 N PRO A 71 -15.321 -3.386 -0.614 1.00 0.00 N ATOM 1127 CA PRO A 71 -14.978 -4.377 -1.603 1.00 0.00 C ATOM 1128 C PRO A 71 -15.386 -3.958 -3.003 1.00 0.00 C ATOM 1129 O PRO A 71 -16.548 -3.610 -3.273 1.00 0.00 O ATOM 1130 CB PRO A 71 -15.720 -5.635 -1.188 1.00 0.00 C ATOM 1131 CG PRO A 71 -16.736 -5.213 -0.173 1.00 0.00 C ATOM 1132 CD PRO A 71 -16.329 -3.858 0.349 1.00 0.00 C ATOM 0 HA PRO A 71 -13.899 -4.523 -1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.201 -6.103 -2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.033 -6.370 -0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.728 -5.167 -0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.787 -5.937 0.641 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.180 -3.179 0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.916 -3.927 1.355 1.00 0.00 H new ATOM 1140 N ASN A 72 -14.448 -4.024 -3.893 1.00 0.00 N ATOM 1141 CA ASN A 72 -14.688 -3.647 -5.266 1.00 0.00 C ATOM 1142 C ASN A 72 -14.582 -4.884 -6.117 1.00 0.00 C ATOM 1143 O ASN A 72 -14.446 -5.987 -5.583 1.00 0.00 O ATOM 1144 CB ASN A 72 -13.722 -2.534 -5.758 1.00 0.00 C ATOM 1145 CG ASN A 72 -13.819 -1.235 -4.948 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -14.636 -0.345 -5.228 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -12.976 -1.106 -3.981 1.00 0.00 N ATOM 0 H ASN A 72 -13.497 -4.337 -3.699 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.688 -3.220 -5.346 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.699 -2.906 -5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.935 -2.316 -6.805 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.969 -0.253 -3.421 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.317 -1.857 -3.776 1.00 0.00 H new ATOM 1154 N LYS A 73 -14.637 -4.735 -7.417 1.00 0.00 N ATOM 1155 CA LYS A 73 -14.627 -5.893 -8.306 1.00 0.00 C ATOM 1156 C LYS A 73 -13.231 -6.198 -8.843 1.00 0.00 C ATOM 1157 O LYS A 73 -13.068 -6.949 -9.786 1.00 0.00 O ATOM 1158 CB LYS A 73 -15.657 -5.719 -9.428 1.00 0.00 C ATOM 1159 CG LYS A 73 -17.098 -5.595 -8.915 1.00 0.00 C ATOM 1160 CD LYS A 73 -17.547 -6.860 -8.174 1.00 0.00 C ATOM 1161 CE LYS A 73 -18.940 -6.705 -7.567 1.00 0.00 C ATOM 1162 NZ LYS A 73 -18.978 -5.655 -6.502 1.00 0.00 N ATOM 0 H LYS A 73 -14.689 -3.833 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.918 -6.765 -7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.407 -4.830 -10.007 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.592 -6.570 -10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.174 -4.736 -8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.768 -5.408 -9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -17.544 -7.704 -8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.831 -7.091 -7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -19.651 -6.449 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.260 -7.659 -7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.883 -5.710 -5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.195 -5.808 -5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.883 -4.715 -6.937 1.00 0.00 H new ATOM 1176 N ARG A 74 -12.235 -5.629 -8.213 1.00 0.00 N ATOM 1177 CA ARG A 74 -10.869 -5.935 -8.550 1.00 0.00 C ATOM 1178 C ARG A 74 -10.423 -7.131 -7.742 1.00 0.00 C ATOM 1179 O ARG A 74 -10.484 -7.110 -6.508 1.00 0.00 O ATOM 1180 CB ARG A 74 -9.954 -4.743 -8.267 1.00 0.00 C ATOM 1181 CG ARG A 74 -9.955 -3.646 -9.324 1.00 0.00 C ATOM 1182 CD ARG A 74 -9.212 -4.084 -10.594 1.00 0.00 C ATOM 1183 NE ARG A 74 -9.065 -2.974 -11.562 1.00 0.00 N ATOM 1184 CZ ARG A 74 -7.882 -2.513 -12.062 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -6.717 -3.098 -11.724 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -7.876 -1.480 -12.904 1.00 0.00 N ATOM 0 H ARG A 74 -12.346 -4.949 -7.461 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.807 -6.159 -9.615 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.245 -4.303 -7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.934 -5.110 -8.151 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.983 -3.383 -9.575 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.487 -2.749 -8.919 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.226 -4.463 -10.325 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.752 -4.906 -11.064 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.918 -2.516 -11.882 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.712 -3.895 -11.088 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.839 -2.744 -12.105 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.754 -1.036 -13.173 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.993 -1.133 -13.279 1.00 0.00 H new ATOM 1200 N LYS A 75 -10.026 -8.175 -8.410 1.00 0.00 N ATOM 1201 CA LYS A 75 -9.528 -9.331 -7.728 1.00 0.00 C ATOM 1202 C LYS A 75 -8.125 -9.030 -7.213 1.00 0.00 C ATOM 1203 O LYS A 75 -7.298 -8.488 -7.939 1.00 0.00 O ATOM 1204 CB LYS A 75 -9.595 -10.579 -8.635 1.00 0.00 C ATOM 1205 CG LYS A 75 -9.162 -11.887 -7.964 1.00 0.00 C ATOM 1206 CD LYS A 75 -9.810 -12.074 -6.587 1.00 0.00 C ATOM 1207 CE LYS A 75 -11.335 -12.147 -6.613 1.00 0.00 C ATOM 1208 NZ LYS A 75 -11.905 -11.993 -5.246 1.00 0.00 N ATOM 0 H LYS A 75 -10.038 -8.248 -9.427 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.155 -9.564 -6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.617 -10.694 -8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.965 -10.410 -9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.427 -12.727 -8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.077 -11.897 -7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.422 -12.988 -6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.509 -11.249 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.728 -11.366 -7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.649 -13.102 -7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.782 -12.548 -5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.218 -12.334 -4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.114 -10.990 -5.068 1.00 0.00 H new ATOM 1222 N GLY A 76 -7.909 -9.319 -5.949 1.00 0.00 N ATOM 1223 CA GLY A 76 -6.688 -8.986 -5.272 1.00 0.00 C ATOM 1224 C GLY A 76 -6.960 -7.860 -4.302 1.00 0.00 C ATOM 1225 O GLY A 76 -6.306 -7.721 -3.287 1.00 0.00 O ATOM 0 H GLY A 76 -8.590 -9.799 -5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.301 -9.856 -4.741 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.926 -8.688 -5.992 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.987 -7.082 -4.614 1.00 0.00 N ATOM 1230 CA PHE A 77 -8.391 -5.961 -3.794 1.00 0.00 C ATOM 1231 C PHE A 77 -9.140 -6.492 -2.581 1.00 0.00 C ATOM 1232 O PHE A 77 -8.919 -6.059 -1.457 1.00 0.00 O ATOM 1233 CB PHE A 77 -9.298 -5.030 -4.615 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.566 -3.687 -4.003 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.376 -3.551 -2.888 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -9.008 -2.556 -4.557 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.612 -2.316 -2.337 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -9.243 -1.318 -4.011 1.00 0.00 C ATOM 1239 CZ PHE A 77 -10.043 -1.197 -2.901 1.00 0.00 C ATOM 0 H PHE A 77 -8.562 -7.215 -5.446 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.518 -5.398 -3.464 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.844 -4.880 -5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.251 -5.532 -4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.828 -4.427 -2.447 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.379 -2.644 -5.430 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.242 -2.223 -1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.799 -0.439 -4.455 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.226 -0.223 -2.471 1.00 0.00 H new ATOM 1249 N ASN A 78 -10.036 -7.438 -2.840 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.848 -8.090 -1.796 1.00 0.00 C ATOM 1251 C ASN A 78 -9.915 -8.771 -0.824 1.00 0.00 C ATOM 1252 O ASN A 78 -10.014 -8.615 0.389 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.758 -9.171 -2.418 1.00 0.00 C ATOM 1254 CG ASN A 78 -12.625 -8.698 -3.580 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -12.890 -9.467 -4.511 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -13.090 -7.468 -3.537 1.00 0.00 N ATOM 0 H ASN A 78 -10.227 -7.782 -3.781 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.462 -7.338 -1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.133 -9.995 -2.763 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.408 -9.569 -1.639 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.689 -7.123 -4.287 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.852 -6.860 -2.754 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.994 -9.494 -1.398 1.00 0.00 N ATOM 1264 CA GLU A 79 -7.979 -10.230 -0.707 1.00 0.00 C ATOM 1265 C GLU A 79 -7.065 -9.275 0.061 1.00 0.00 C ATOM 1266 O GLU A 79 -6.636 -9.563 1.175 1.00 0.00 O ATOM 1267 CB GLU A 79 -7.173 -11.054 -1.722 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.964 -12.170 -2.451 1.00 0.00 C ATOM 1269 CD GLU A 79 -9.163 -11.696 -3.289 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -9.120 -10.574 -3.882 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -10.181 -12.410 -3.354 1.00 0.00 O ATOM 0 H GLU A 79 -8.930 -9.589 -2.412 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.443 -10.905 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.762 -10.376 -2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.328 -11.509 -1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.278 -12.709 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.322 -12.882 -1.707 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.801 -8.123 -0.537 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.998 -7.106 0.096 1.00 0.00 C ATOM 1280 C GLY A 80 -6.681 -6.502 1.294 1.00 0.00 C ATOM 1281 O GLY A 80 -6.029 -6.158 2.270 1.00 0.00 O ATOM 0 H GLY A 80 -7.138 -7.875 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.045 -7.537 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.775 -6.321 -0.626 1.00 0.00 H new ATOM 1285 N LEU A 81 -8.003 -6.380 1.227 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.788 -5.902 2.361 1.00 0.00 C ATOM 1287 C LEU A 81 -8.641 -6.874 3.519 1.00 0.00 C ATOM 1288 O LEU A 81 -8.619 -6.480 4.669 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.269 -5.730 1.988 1.00 0.00 C ATOM 1290 CG LEU A 81 -10.593 -4.641 0.957 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -12.067 -4.673 0.607 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -10.214 -3.264 1.489 1.00 0.00 C ATOM 0 H LEU A 81 -8.554 -6.606 0.399 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.411 -4.923 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.637 -6.682 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.827 -5.515 2.899 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.009 -4.837 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.284 -3.895 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.320 -5.647 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.658 -4.500 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.452 -2.507 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.773 -3.061 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.146 -3.238 1.704 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.516 -8.140 3.190 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.268 -9.155 4.180 1.00 0.00 C ATOM 1306 C TRP A 82 -6.827 -9.046 4.721 1.00 0.00 C ATOM 1307 O TRP A 82 -6.611 -9.004 5.938 1.00 0.00 O ATOM 1308 CB TRP A 82 -8.554 -10.550 3.601 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.162 -11.654 4.518 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -8.826 -12.080 5.621 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -6.997 -12.467 4.407 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -8.129 -13.096 6.216 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -7.005 -13.357 5.487 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -5.949 -12.517 3.498 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -5.999 -14.294 5.687 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -4.946 -13.446 3.689 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -4.978 -14.325 4.779 1.00 0.00 C ATOM 0 H TRP A 82 -8.583 -8.490 2.234 1.00 0.00 H new ATOM 0 HA TRP A 82 -8.945 -9.000 5.020 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -9.617 -10.633 3.376 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.019 -10.662 2.658 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -9.763 -11.678 5.976 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.406 -13.582 7.069 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.919 -11.841 2.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -6.023 -14.972 6.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.126 -13.496 2.988 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -4.180 -15.042 4.904 1.00 0.00 H new ATOM 1328 N GLU A 83 -5.849 -8.962 3.821 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.448 -8.854 4.225 1.00 0.00 C ATOM 1330 C GLU A 83 -4.143 -7.626 5.061 1.00 0.00 C ATOM 1331 O GLU A 83 -3.344 -7.702 5.967 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.470 -8.927 3.062 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.217 -10.312 2.531 1.00 0.00 C ATOM 1334 CD GLU A 83 -1.978 -10.359 1.658 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -1.992 -9.823 0.541 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -0.943 -10.902 2.094 1.00 0.00 O ATOM 0 H GLU A 83 -5.999 -8.967 2.812 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.302 -9.734 4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.847 -8.306 2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.520 -8.496 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.102 -11.006 3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.081 -10.645 1.956 1.00 0.00 H new ATOM 1343 N ILE A 84 -4.804 -6.521 4.793 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.514 -5.286 5.514 1.00 0.00 C ATOM 1345 C ILE A 84 -5.048 -5.370 6.950 1.00 0.00 C ATOM 1346 O ILE A 84 -4.574 -4.679 7.846 1.00 0.00 O ATOM 1347 CB ILE A 84 -5.062 -4.021 4.763 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.533 -2.730 5.403 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.586 -4.011 4.742 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.880 -1.470 4.635 1.00 0.00 C ATOM 0 H ILE A 84 -5.539 -6.445 4.090 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.431 -5.171 5.558 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.705 -4.070 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.933 -2.648 6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.449 -2.800 5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.937 -3.123 4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.949 -4.903 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.964 -3.999 5.764 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.470 -0.603 5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.457 -1.527 3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.963 -1.372 4.566 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.000 -6.256 7.147 1.00 0.00 N ATOM 1363 CA ASP A 85 -6.632 -6.446 8.421 1.00 0.00 C ATOM 1364 C ASP A 85 -5.869 -7.499 9.223 1.00 0.00 C ATOM 1365 O ASP A 85 -5.482 -7.282 10.368 1.00 0.00 O ATOM 1366 CB ASP A 85 -8.069 -6.901 8.162 1.00 0.00 C ATOM 1367 CG ASP A 85 -8.881 -7.145 9.420 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.357 -6.169 10.023 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -9.079 -8.327 9.767 1.00 0.00 O ATOM 0 H ASP A 85 -6.357 -6.869 6.414 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.632 -5.521 8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.574 -6.147 7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.047 -7.818 7.574 1.00 0.00 H new ATOM 1374 N ASN A 86 -5.553 -8.607 8.565 1.00 0.00 N ATOM 1375 CA ASN A 86 -4.939 -9.756 9.253 1.00 0.00 C ATOM 1376 C ASN A 86 -3.450 -9.637 9.314 1.00 0.00 C ATOM 1377 O ASN A 86 -2.799 -10.040 10.305 1.00 0.00 O ATOM 1378 CB ASN A 86 -5.316 -11.112 8.611 1.00 0.00 C ATOM 1379 CG ASN A 86 -6.784 -11.469 8.749 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -7.142 -12.644 8.880 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -7.625 -10.487 8.694 1.00 0.00 N ATOM 0 H ASN A 86 -5.706 -8.743 7.566 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.343 -9.735 10.265 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.056 -11.087 7.553 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.716 -11.899 9.068 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -8.626 -10.669 8.760 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.286 -9.531 8.585 1.00 0.00 H new ATOM 1388 N ASN A 87 -2.869 -9.099 8.286 1.00 0.00 N ATOM 1389 CA ASN A 87 -1.428 -8.967 8.287 1.00 0.00 C ATOM 1390 C ASN A 87 -0.951 -7.567 7.824 1.00 0.00 C ATOM 1391 O ASN A 87 -0.259 -7.446 6.822 1.00 0.00 O ATOM 1392 CB ASN A 87 -0.772 -10.080 7.450 1.00 0.00 C ATOM 1393 CG ASN A 87 0.695 -10.303 7.796 1.00 0.00 C ATOM 1394 OD1 ASN A 87 1.117 -10.108 8.949 1.00 0.00 O ATOM 1395 ND2 ASN A 87 1.468 -10.740 6.835 1.00 0.00 N ATOM 0 H ASN A 87 -3.345 -8.751 7.454 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.106 -9.076 9.323 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.320 -11.010 7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.855 -9.828 6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.452 -10.932 7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.086 -10.888 5.901 1.00 0.00 H new ATOM 1402 N PRO A 88 -1.291 -6.478 8.580 1.00 0.00 N ATOM 1403 CA PRO A 88 -0.846 -5.093 8.248 1.00 0.00 C ATOM 1404 C PRO A 88 0.653 -4.918 8.532 1.00 0.00 C ATOM 1405 O PRO A 88 1.255 -3.904 8.251 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.660 -4.218 9.209 1.00 0.00 C ATOM 1407 CG PRO A 88 -1.986 -5.104 10.358 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.158 -6.480 9.790 1.00 0.00 C ATOM 0 HA PRO A 88 -0.995 -4.845 7.197 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.087 -3.349 9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.565 -3.844 8.731 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.189 -5.087 11.101 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.896 -4.773 10.859 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.850 -7.247 10.501 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.199 -6.680 9.536 1.00 0.00 H new ATOM 1416 N LYS A 89 1.207 -5.947 9.106 1.00 0.00 N ATOM 1417 CA LYS A 89 2.580 -6.022 9.540 1.00 0.00 C ATOM 1418 C LYS A 89 3.437 -6.768 8.510 1.00 0.00 C ATOM 1419 O LYS A 89 4.565 -7.219 8.802 1.00 0.00 O ATOM 1420 CB LYS A 89 2.608 -6.695 10.928 1.00 0.00 C ATOM 1421 CG LYS A 89 1.638 -7.872 11.039 1.00 0.00 C ATOM 1422 CD LYS A 89 1.554 -8.443 12.441 1.00 0.00 C ATOM 1423 CE LYS A 89 0.404 -9.448 12.547 1.00 0.00 C ATOM 1424 NZ LYS A 89 0.565 -10.606 11.628 1.00 0.00 N ATOM 0 H LYS A 89 0.688 -6.804 9.296 1.00 0.00 H new ATOM 0 HA LYS A 89 3.010 -5.024 9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.619 -7.044 11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.362 -5.955 11.690 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.646 -7.548 10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.949 -8.658 10.351 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.495 -8.930 12.698 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.406 -7.637 13.159 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.338 -9.810 13.573 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.536 -8.942 12.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.214 -11.279 11.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.550 -10.272 10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.472 -11.078 11.820 1.00 0.00 H new ATOM 1438 N VAL A 90 2.908 -6.891 7.309 1.00 0.00 N ATOM 1439 CA VAL A 90 3.630 -7.491 6.210 1.00 0.00 C ATOM 1440 C VAL A 90 4.573 -6.418 5.616 1.00 0.00 C ATOM 1441 O VAL A 90 4.450 -5.249 5.949 1.00 0.00 O ATOM 1442 CB VAL A 90 2.651 -8.045 5.125 1.00 0.00 C ATOM 1443 CG1 VAL A 90 1.976 -6.930 4.360 1.00 0.00 C ATOM 1444 CG2 VAL A 90 3.322 -9.040 4.183 1.00 0.00 C ATOM 0 H VAL A 90 1.967 -6.578 7.070 1.00 0.00 H new ATOM 0 HA VAL A 90 4.212 -8.341 6.568 1.00 0.00 H new ATOM 0 HB VAL A 90 1.877 -8.595 5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.303 -7.355 3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.406 -6.308 5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.731 -6.322 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.597 -9.393 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.150 -8.552 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.699 -9.887 4.757 1.00 0.00 H new ATOM 1454 N LYS A 91 5.512 -6.831 4.800 1.00 0.00 N ATOM 1455 CA LYS A 91 6.497 -5.948 4.189 1.00 0.00 C ATOM 1456 C LYS A 91 6.838 -6.500 2.829 1.00 0.00 C ATOM 1457 O LYS A 91 6.223 -7.518 2.437 1.00 0.00 O ATOM 1458 CB LYS A 91 7.758 -5.886 5.066 1.00 0.00 C ATOM 1459 CG LYS A 91 7.665 -4.914 6.237 1.00 0.00 C ATOM 1460 CD LYS A 91 8.631 -5.267 7.356 1.00 0.00 C ATOM 1461 CE LYS A 91 7.932 -6.093 8.439 1.00 0.00 C ATOM 1462 NZ LYS A 91 7.247 -7.293 7.897 1.00 0.00 N ATOM 0 H LYS A 91 5.622 -7.809 4.532 1.00 0.00 H new ATOM 0 HA LYS A 91 6.096 -4.939 4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.965 -6.883 5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.606 -5.604 4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.873 -3.904 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.647 -4.913 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.473 -5.828 6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.037 -4.355 7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.666 -6.404 9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.204 -5.466 8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.879 -7.867 8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.459 -6.997 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.922 -7.857 7.343 1.00 0.00 H new ATOM 1476 N PHE A 92 7.814 -5.854 2.123 1.00 0.00 N ATOM 1477 CA PHE A 92 8.333 -6.333 0.805 1.00 0.00 C ATOM 1478 C PHE A 92 8.535 -7.834 0.879 1.00 0.00 C ATOM 1479 O PHE A 92 8.025 -8.612 0.070 1.00 0.00 O ATOM 1480 CB PHE A 92 9.710 -5.712 0.479 1.00 0.00 C ATOM 1481 CG PHE A 92 9.787 -4.214 0.474 1.00 0.00 C ATOM 1482 CD1 PHE A 92 9.264 -3.483 -0.571 1.00 0.00 C ATOM 1483 CD2 PHE A 92 10.426 -3.542 1.501 1.00 0.00 C ATOM 1484 CE1 PHE A 92 9.370 -2.104 -0.590 1.00 0.00 C ATOM 1485 CE2 PHE A 92 10.530 -2.169 1.488 1.00 0.00 C ATOM 1486 CZ PHE A 92 10.003 -1.450 0.443 1.00 0.00 C ATOM 0 H PHE A 92 8.259 -4.995 2.448 1.00 0.00 H new ATOM 0 HA PHE A 92 7.612 -6.048 0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.433 -6.088 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 92 10.023 -6.072 -0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.766 -3.992 -1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 92 10.848 -4.101 2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.957 -1.541 -1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.026 -1.657 2.300 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.085 -0.373 0.432 1.00 0.00 H new ATOM 1496 N SER A 93 9.277 -8.220 1.869 1.00 0.00 N ATOM 1497 CA SER A 93 9.459 -9.572 2.183 1.00 0.00 C ATOM 1498 C SER A 93 8.321 -9.967 3.123 1.00 0.00 C ATOM 1499 O SER A 93 8.137 -9.374 4.195 1.00 0.00 O ATOM 1500 CB SER A 93 10.848 -9.748 2.798 1.00 0.00 C ATOM 1501 OG SER A 93 11.141 -8.681 3.712 1.00 0.00 O ATOM 0 H SER A 93 9.777 -7.578 2.485 1.00 0.00 H new ATOM 0 HA SER A 93 9.422 -10.224 1.310 1.00 0.00 H new ATOM 0 HB2 SER A 93 10.901 -10.704 3.319 1.00 0.00 H new ATOM 0 HB3 SER A 93 11.599 -9.773 2.009 1.00 0.00 H new ATOM 0 HG SER A 93 10.337 -8.462 4.228 1.00 0.00 H new TER 1507 SER A 93