USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 889 hydrogens (40 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 102 THR OG1 : rot -70:sc= 0.694 USER MOD Set 1.2: A 103 ASN : amide:sc= -5.3! C(o=-4.6!,f=-1.6!) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.708 K(o=-0.43,f=-3.3) USER MOD Set 2.2: A 78 THR OG1 : rot 38:sc= 0.273 USER MOD Set 3.1: A 26 HIS : no HD1:sc= -0.59 K(o=-3.6,f=-4.2) USER MOD Set 3.2: A 31 ASN : amide:sc= -0.131! C(o=-3.6!,f=-15!) USER MOD Set 3.3: A 33 HIS : no HD1:sc= -2.89! C(o=-3.6!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.00652 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0.788 (180deg=0.788) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -147:sc=-0.00513 (180deg=-0.142) USER MOD Single : A 12 GLN : amide:sc= -1.91! C(o=-1.9!,f=-3.1!) USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= -2.43! (180deg=-2.91!) USER MOD Single : A 16 GLN : amide:sc= 0.298 X(o=0.3,f=-0.12) USER MOD Single : A 19 THR OG1 : rot 86:sc= 1.32 USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= -0.148 (180deg=-0.726) USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -0.0142 (180deg=-0.186) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 93:sc= -0.659 USER MOD Single : A 42 GLN : amide:sc= -4.44! K(o=-4.4!,f=0.042) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -95:sc= -0.882 USER MOD Single : A 49 THR OG1 : rot 84:sc= -0.0724 USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0958) USER MOD Single : A 54 ASN : amide:sc= -10.2! C(o=-10!,f=-4.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.624 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 81:sc= -2.53! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 37:sc= 1.38 USER MOD Single : A 70 ASN : amide:sc= -4.37! C(o=-4.4!,f=-6.9!) USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= -2.31! (180deg=-3.39!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -174:sc= -1.55 (180deg=-1.9) USER MOD Single : A 86 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.106) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= -0.0618 (180deg=-0.957) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 142:sc= 0.237 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 73.395 11.040 -6.773 1.00 0.00 N ATOM 2 CA GLY A 1 74.092 9.726 -6.880 1.00 0.00 C ATOM 3 C GLY A 1 73.531 8.945 -8.062 1.00 0.00 C ATOM 4 O GLY A 1 72.316 8.868 -8.246 1.00 0.00 O ATOM 0 H1 GLY A 1 73.173 11.235 -5.776 1.00 0.00 H new ATOM 0 H2 GLY A 1 74.011 11.791 -7.144 1.00 0.00 H new ATOM 0 H3 GLY A 1 72.514 11.011 -7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 1 75.163 9.881 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 1 73.960 9.157 -5.960 1.00 0.00 H new ATOM 10 N ASP A 2 74.423 8.366 -8.862 1.00 0.00 N ATOM 11 CA ASP A 2 74.011 7.589 -10.028 1.00 0.00 C ATOM 12 C ASP A 2 74.417 6.131 -9.868 1.00 0.00 C ATOM 13 O ASP A 2 75.460 5.709 -10.364 1.00 0.00 O ATOM 14 CB ASP A 2 74.657 8.156 -11.291 1.00 0.00 C ATOM 15 CG ASP A 2 74.086 9.537 -11.597 1.00 0.00 C ATOM 16 OD1 ASP A 2 73.547 10.147 -10.688 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.197 9.963 -12.734 1.00 0.00 O1- ATOM 0 H ASP A 2 75.432 8.420 -8.725 1.00 0.00 H new ATOM 0 HA ASP A 2 72.926 7.650 -10.114 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.737 8.222 -11.158 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.479 7.486 -12.132 1.00 0.00 H new ATOM 22 N VAL A 3 73.581 5.364 -9.178 1.00 0.00 N ATOM 23 CA VAL A 3 73.860 3.952 -8.965 1.00 0.00 C ATOM 24 C VAL A 3 74.222 3.279 -10.284 1.00 0.00 C ATOM 25 O VAL A 3 74.794 2.189 -10.300 1.00 0.00 O ATOM 26 CB VAL A 3 72.634 3.267 -8.355 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.399 3.571 -9.208 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.863 1.754 -8.308 1.00 0.00 C ATOM 0 H VAL A 3 72.711 5.694 -8.760 1.00 0.00 H new ATOM 0 HA VAL A 3 74.703 3.861 -8.280 1.00 0.00 H new ATOM 0 HB VAL A 3 72.477 3.642 -7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.527 3.083 -8.773 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.234 4.648 -9.239 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.556 3.199 -10.220 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.990 1.267 -7.874 1.00 0.00 H new ATOM 0 HG22 VAL A 3 73.022 1.379 -9.319 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.740 1.538 -7.698 1.00 0.00 H new ATOM 38 N GLU A 4 73.882 3.934 -11.391 1.00 0.00 N ATOM 39 CA GLU A 4 74.177 3.382 -12.708 1.00 0.00 C ATOM 40 C GLU A 4 75.662 3.514 -13.025 1.00 0.00 C ATOM 41 O GLU A 4 76.346 2.518 -13.265 1.00 0.00 O ATOM 42 CB GLU A 4 73.355 4.107 -13.775 1.00 0.00 C ATOM 43 CG GLU A 4 71.864 3.913 -13.489 1.00 0.00 C ATOM 44 CD GLU A 4 71.033 4.492 -14.629 1.00 0.00 C ATOM 45 OE1 GLU A 4 71.434 5.509 -15.170 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 70.008 3.911 -14.943 1.00 0.00 O ATOM 0 H GLU A 4 73.408 4.837 -11.403 1.00 0.00 H new ATOM 0 HA GLU A 4 73.913 2.324 -12.705 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.600 5.169 -13.779 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.600 3.719 -14.764 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.643 2.852 -13.370 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.599 4.401 -12.551 1.00 0.00 H new ATOM 53 N LYS A 5 76.161 4.745 -13.016 1.00 0.00 N ATOM 54 CA LYS A 5 77.571 4.979 -13.294 1.00 0.00 C ATOM 55 C LYS A 5 78.413 4.514 -12.118 1.00 0.00 C ATOM 56 O LYS A 5 79.608 4.254 -12.258 1.00 0.00 O ATOM 57 CB LYS A 5 77.821 6.466 -13.561 1.00 0.00 C ATOM 58 CG LYS A 5 77.294 6.831 -14.950 1.00 0.00 C ATOM 59 CD LYS A 5 77.250 8.356 -15.104 1.00 0.00 C ATOM 60 CE LYS A 5 76.098 8.938 -14.276 1.00 0.00 C ATOM 61 NZ LYS A 5 75.626 10.203 -14.907 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.617 5.586 -12.822 1.00 0.00 H new ATOM 0 HA LYS A 5 77.853 4.413 -14.182 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.325 7.071 -12.802 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.887 6.684 -13.496 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.935 6.397 -15.718 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.298 6.413 -15.093 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.196 8.789 -14.779 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.122 8.619 -16.154 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.279 8.221 -14.216 1.00 0.00 H new ATOM 0 HE3 LYS A 5 76.429 9.129 -13.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 74.845 10.600 -14.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.409 10.887 -14.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.295 10.007 -15.873 1.00 0.00 H new ATOM 75 N GLY A 6 77.774 4.383 -10.963 1.00 0.00 N ATOM 76 CA GLY A 6 78.470 3.915 -9.775 1.00 0.00 C ATOM 77 C GLY A 6 78.751 2.431 -9.920 1.00 0.00 C ATOM 78 O GLY A 6 79.787 1.928 -9.483 1.00 0.00 O ATOM 0 H GLY A 6 76.785 4.592 -10.825 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.403 4.464 -9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.865 4.099 -8.887 1.00 0.00 H new ATOM 82 N LYS A 7 77.818 1.741 -10.567 1.00 0.00 N ATOM 83 CA LYS A 7 77.959 0.316 -10.802 1.00 0.00 C ATOM 84 C LYS A 7 79.084 0.067 -11.798 1.00 0.00 C ATOM 85 O LYS A 7 79.888 -0.844 -11.620 1.00 0.00 O ATOM 86 CB LYS A 7 76.649 -0.257 -11.350 1.00 0.00 C ATOM 87 CG LYS A 7 76.761 -1.780 -11.458 1.00 0.00 C ATOM 88 CD LYS A 7 75.502 -2.347 -12.127 1.00 0.00 C ATOM 89 CE LYS A 7 75.651 -2.287 -13.651 1.00 0.00 C ATOM 90 NZ LYS A 7 74.482 -2.957 -14.290 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.959 2.148 -10.936 1.00 0.00 H new ATOM 0 HA LYS A 7 78.196 -0.177 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.820 0.011 -10.695 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.433 0.172 -12.328 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.644 -2.049 -12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.885 -2.216 -10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.343 -3.377 -11.808 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.626 -1.778 -11.816 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.715 -1.250 -13.981 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.576 -2.776 -13.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 74.582 -2.917 -15.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.441 -3.950 -13.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 73.607 -2.472 -14.008 1.00 0.00 H new ATOM 104 N LYS A 8 79.136 0.885 -12.846 1.00 0.00 N ATOM 105 CA LYS A 8 80.174 0.739 -13.861 1.00 0.00 C ATOM 106 C LYS A 8 81.561 0.871 -13.235 1.00 0.00 C ATOM 107 O LYS A 8 82.461 0.071 -13.504 1.00 0.00 O ATOM 108 CB LYS A 8 79.996 1.804 -14.947 1.00 0.00 C ATOM 109 CG LYS A 8 81.141 1.706 -15.969 1.00 0.00 C ATOM 110 CD LYS A 8 82.198 2.782 -15.682 1.00 0.00 C ATOM 111 CE LYS A 8 81.770 4.108 -16.318 1.00 0.00 C ATOM 112 NZ LYS A 8 82.017 4.057 -17.787 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.479 1.647 -13.013 1.00 0.00 H new ATOM 0 HA LYS A 8 80.084 -0.252 -14.306 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.037 1.669 -15.448 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.983 2.797 -14.497 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.596 0.717 -15.923 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.749 1.830 -16.979 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.321 2.907 -14.606 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.164 2.472 -16.080 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.714 4.293 -16.122 1.00 0.00 H new ATOM 0 HE3 LYS A 8 82.326 4.933 -15.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.274 5.005 -18.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.794 3.395 -17.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 81.156 3.736 -18.273 1.00 0.00 H new ATOM 126 N ILE A 9 81.727 1.891 -12.400 1.00 0.00 N ATOM 127 CA ILE A 9 83.004 2.128 -11.744 1.00 0.00 C ATOM 128 C ILE A 9 83.314 1.021 -10.742 1.00 0.00 C ATOM 129 O ILE A 9 84.470 0.798 -10.390 1.00 0.00 O ATOM 130 CB ILE A 9 82.970 3.472 -11.017 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.686 4.593 -12.023 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.322 3.721 -10.348 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.231 5.847 -11.273 1.00 0.00 C ATOM 0 H ILE A 9 80.997 2.563 -12.163 1.00 0.00 H new ATOM 0 HA ILE A 9 83.783 2.139 -12.506 1.00 0.00 H new ATOM 0 HB ILE A 9 82.185 3.456 -10.261 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.582 4.809 -12.605 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.916 4.278 -12.727 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.300 4.679 -9.829 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.526 2.925 -9.632 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.105 3.737 -11.106 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.029 6.645 -11.987 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.324 5.625 -10.710 1.00 0.00 H new ATOM 0 HD13 ILE A 9 83.016 6.165 -10.586 1.00 0.00 H new ATOM 145 N PHE A 10 82.275 0.341 -10.276 1.00 0.00 N ATOM 146 CA PHE A 10 82.454 -0.730 -9.300 1.00 0.00 C ATOM 147 C PHE A 10 82.878 -2.038 -9.972 1.00 0.00 C ATOM 148 O PHE A 10 83.865 -2.654 -9.572 1.00 0.00 O ATOM 149 CB PHE A 10 81.144 -0.947 -8.528 1.00 0.00 C ATOM 150 CG PHE A 10 81.086 -2.368 -8.011 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.573 -3.386 -8.823 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.559 -2.667 -6.730 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.534 -4.704 -8.356 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.517 -3.986 -6.259 1.00 0.00 C ATOM 155 CZ PHE A 10 81.007 -5.004 -7.074 1.00 0.00 C ATOM 0 H PHE A 10 81.308 0.508 -10.553 1.00 0.00 H new ATOM 0 HA PHE A 10 83.247 -0.432 -8.614 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.080 -0.245 -7.697 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.291 -0.751 -9.178 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.207 -3.154 -9.812 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.957 -1.882 -6.104 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.139 -5.489 -8.984 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.878 -4.217 -5.268 1.00 0.00 H new ATOM 0 HZ PHE A 10 80.979 -6.021 -6.713 1.00 0.00 H new ATOM 165 N VAL A 11 82.121 -2.462 -10.980 1.00 0.00 N ATOM 166 CA VAL A 11 82.419 -3.710 -11.680 1.00 0.00 C ATOM 167 C VAL A 11 83.846 -3.726 -12.198 1.00 0.00 C ATOM 168 O VAL A 11 84.467 -4.784 -12.306 1.00 0.00 O ATOM 169 CB VAL A 11 81.467 -3.901 -12.861 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.037 -4.051 -12.349 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.551 -2.685 -13.780 1.00 0.00 C ATOM 0 H VAL A 11 81.302 -1.965 -11.329 1.00 0.00 H new ATOM 0 HA VAL A 11 82.291 -4.521 -10.963 1.00 0.00 H new ATOM 0 HB VAL A 11 81.749 -4.798 -13.412 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.361 -4.187 -13.193 1.00 0.00 H new ATOM 0 HG12 VAL A 11 79.975 -4.918 -11.691 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.752 -3.155 -11.797 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.873 -2.819 -14.623 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.269 -1.790 -13.226 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.571 -2.577 -14.148 1.00 0.00 H new ATOM 181 N GLN A 12 84.352 -2.557 -12.552 1.00 0.00 N ATOM 182 CA GLN A 12 85.703 -2.467 -13.094 1.00 0.00 C ATOM 183 C GLN A 12 86.740 -2.123 -12.026 1.00 0.00 C ATOM 184 O GLN A 12 87.922 -2.422 -12.195 1.00 0.00 O ATOM 185 CB GLN A 12 85.740 -1.408 -14.193 1.00 0.00 C ATOM 186 CG GLN A 12 85.561 -0.018 -13.579 1.00 0.00 C ATOM 187 CD GLN A 12 85.347 1.001 -14.690 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.089 2.174 -14.420 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.440 0.618 -15.933 1.00 0.00 N ATOM 0 H GLN A 12 83.859 -1.667 -12.477 1.00 0.00 H new ATOM 0 HA GLN A 12 85.959 -3.448 -13.495 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.688 -1.460 -14.729 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.951 -1.598 -14.921 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.709 -0.016 -12.899 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.439 0.248 -12.991 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.654 -0.355 -16.152 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.299 1.291 -16.686 1.00 0.00 H new ATOM 198 N LYS A 13 86.318 -1.459 -10.950 1.00 0.00 N ATOM 199 CA LYS A 13 87.267 -1.055 -9.909 1.00 0.00 C ATOM 200 C LYS A 13 87.254 -1.954 -8.664 1.00 0.00 C ATOM 201 O LYS A 13 88.267 -2.573 -8.341 1.00 0.00 O ATOM 202 CB LYS A 13 86.990 0.395 -9.496 1.00 0.00 C ATOM 203 CG LYS A 13 88.249 1.006 -8.869 1.00 0.00 C ATOM 204 CD LYS A 13 88.057 2.518 -8.686 1.00 0.00 C ATOM 205 CE LYS A 13 88.513 3.255 -9.949 1.00 0.00 C ATOM 206 NZ LYS A 13 88.209 4.708 -9.812 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.349 -1.194 -10.776 1.00 0.00 H new ATOM 0 HA LYS A 13 88.260 -1.156 -10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.686 0.978 -10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.165 0.429 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.451 0.537 -7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 13 89.113 0.814 -9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 13 87.009 2.739 -8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.628 2.865 -7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.582 3.109 -10.102 1.00 0.00 H new ATOM 0 HE3 LYS A 13 88.007 2.847 -10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 88.809 5.251 -10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 87.208 4.876 -10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 88.398 5.012 -8.835 1.00 0.00 H new ATOM 220 N CYS A 14 86.139 -1.977 -7.932 1.00 0.00 N ATOM 221 CA CYS A 14 86.073 -2.756 -6.685 1.00 0.00 C ATOM 222 C CYS A 14 85.776 -4.241 -6.898 1.00 0.00 C ATOM 223 O CYS A 14 86.311 -5.087 -6.181 1.00 0.00 O ATOM 224 CB CYS A 14 85.017 -2.158 -5.749 1.00 0.00 C ATOM 225 SG CYS A 14 84.979 -0.350 -5.917 1.00 0.00 S ATOM 0 H CYS A 14 85.282 -1.477 -8.171 1.00 0.00 H new ATOM 0 HA CYS A 14 87.066 -2.695 -6.240 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.037 -2.573 -5.983 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.240 -2.430 -4.717 1.00 0.00 H new ATOM 230 N ALA A 15 84.921 -4.567 -7.854 1.00 0.00 N ATOM 231 CA ALA A 15 84.579 -5.967 -8.092 1.00 0.00 C ATOM 232 C ALA A 15 85.838 -6.827 -8.162 1.00 0.00 C ATOM 233 O ALA A 15 85.799 -8.024 -7.875 1.00 0.00 O ATOM 234 CB ALA A 15 83.789 -6.100 -9.394 1.00 0.00 C ATOM 0 H ALA A 15 84.457 -3.899 -8.469 1.00 0.00 H new ATOM 0 HA ALA A 15 83.966 -6.315 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.539 -7.147 -9.562 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.872 -5.515 -9.325 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.392 -5.733 -10.225 1.00 0.00 H new ATOM 240 N GLN A 16 86.949 -6.212 -8.548 1.00 0.00 N ATOM 241 CA GLN A 16 88.214 -6.932 -8.659 1.00 0.00 C ATOM 242 C GLN A 16 88.473 -7.806 -7.432 1.00 0.00 C ATOM 243 O GLN A 16 88.555 -9.029 -7.545 1.00 0.00 O ATOM 244 CB GLN A 16 89.363 -5.938 -8.827 1.00 0.00 C ATOM 245 CG GLN A 16 89.204 -5.186 -10.150 1.00 0.00 C ATOM 246 CD GLN A 16 90.488 -4.432 -10.478 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.531 -5.046 -10.702 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.475 -3.127 -10.519 1.00 0.00 N ATOM 0 H GLN A 16 87.001 -5.222 -8.788 1.00 0.00 H new ATOM 0 HA GLN A 16 88.152 -7.581 -9.532 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.372 -5.233 -7.996 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.317 -6.464 -8.809 1.00 0.00 H new ATOM 0 HG2 GLN A 16 88.970 -5.887 -10.951 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.369 -4.488 -10.083 1.00 0.00 H new ATOM 0 HE21 GLN A 16 89.610 -2.620 -10.333 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.330 -2.615 -10.737 1.00 0.00 H new ATOM 257 N CYS A 17 88.620 -7.178 -6.263 1.00 0.00 N ATOM 258 CA CYS A 17 88.890 -7.925 -5.030 1.00 0.00 C ATOM 259 C CYS A 17 87.788 -7.712 -3.988 1.00 0.00 C ATOM 260 O CYS A 17 88.078 -7.434 -2.825 1.00 0.00 O ATOM 261 CB CYS A 17 90.245 -7.492 -4.439 1.00 0.00 C ATOM 262 SG CYS A 17 91.263 -6.717 -5.722 1.00 0.00 S ATOM 0 H CYS A 17 88.558 -6.167 -6.143 1.00 0.00 H new ATOM 0 HA CYS A 17 88.917 -8.984 -5.285 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.086 -6.793 -3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.763 -8.357 -4.025 1.00 0.00 H new ATOM 267 N HIS A 18 86.530 -7.854 -4.397 1.00 0.00 N ATOM 268 CA HIS A 18 85.417 -7.679 -3.463 1.00 0.00 C ATOM 269 C HIS A 18 84.167 -8.411 -3.948 1.00 0.00 C ATOM 270 O HIS A 18 84.188 -9.086 -4.978 1.00 0.00 O ATOM 271 CB HIS A 18 85.099 -6.191 -3.292 1.00 0.00 C ATOM 272 CG HIS A 18 86.123 -5.547 -2.395 1.00 0.00 C ATOM 273 ND1 HIS A 18 86.711 -6.215 -1.327 1.00 0.00 N ATOM 274 CD2 HIS A 18 86.668 -4.289 -2.393 1.00 0.00 C ATOM 275 CE1 HIS A 18 87.567 -5.359 -0.735 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.575 -4.174 -1.348 1.00 0.00 N ATOM 0 H HIS A 18 86.256 -8.086 -5.352 1.00 0.00 H new ATOM 0 HA HIS A 18 85.718 -8.102 -2.505 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.093 -5.698 -4.264 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.103 -6.070 -2.867 1.00 0.00 H new ATOM 0 HD1 HIS A 18 86.528 -7.177 -1.043 1.00 0.00 H new ATOM 0 HD2 HIS A 18 86.428 -3.506 -3.097 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.171 -5.602 0.127 1.00 0.00 H new ATOM 284 N THR A 19 83.081 -8.274 -3.187 1.00 0.00 N ATOM 285 CA THR A 19 81.816 -8.923 -3.530 1.00 0.00 C ATOM 286 C THR A 19 80.645 -7.971 -3.283 1.00 0.00 C ATOM 287 O THR A 19 79.678 -7.949 -4.044 1.00 0.00 O ATOM 288 CB THR A 19 81.648 -10.192 -2.681 1.00 0.00 C ATOM 289 OG1 THR A 19 82.744 -10.304 -1.784 1.00 0.00 O ATOM 290 CG2 THR A 19 81.609 -11.427 -3.582 1.00 0.00 C ATOM 0 H THR A 19 83.052 -7.721 -2.331 1.00 0.00 H new ATOM 0 HA THR A 19 81.827 -9.190 -4.587 1.00 0.00 H new ATOM 0 HB THR A 19 80.714 -10.126 -2.123 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.558 -9.785 -0.974 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.490 -12.321 -2.969 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.770 -11.346 -4.274 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.539 -11.495 -4.146 1.00 0.00 H new ATOM 298 N VAL A 20 80.747 -7.191 -2.211 1.00 0.00 N ATOM 299 CA VAL A 20 79.705 -6.230 -1.853 1.00 0.00 C ATOM 300 C VAL A 20 78.308 -6.822 -2.031 1.00 0.00 C ATOM 301 O VAL A 20 77.362 -6.106 -2.358 1.00 0.00 O ATOM 302 CB VAL A 20 79.843 -4.957 -2.696 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.265 -4.406 -2.568 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.560 -5.269 -4.165 1.00 0.00 C ATOM 0 H VAL A 20 81.542 -7.205 -1.573 1.00 0.00 H new ATOM 0 HA VAL A 20 79.834 -5.982 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 20 79.127 -4.218 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.360 -3.501 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.472 -4.172 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.977 -5.152 -2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.660 -4.359 -4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.271 -6.014 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.546 -5.657 -4.266 1.00 0.00 H new ATOM 314 N GLU A 21 78.179 -8.127 -1.807 1.00 0.00 N ATOM 315 CA GLU A 21 76.883 -8.791 -1.943 1.00 0.00 C ATOM 316 C GLU A 21 76.608 -9.680 -0.732 1.00 0.00 C ATOM 317 O GLU A 21 77.375 -10.594 -0.430 1.00 0.00 O ATOM 318 CB GLU A 21 76.849 -9.623 -3.230 1.00 0.00 C ATOM 319 CG GLU A 21 77.610 -10.936 -3.027 1.00 0.00 C ATOM 320 CD GLU A 21 77.983 -11.539 -4.377 1.00 0.00 C ATOM 321 OE1 GLU A 21 78.466 -10.801 -5.221 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 77.780 -12.730 -4.548 1.00 0.00 O ATOM 0 H GLU A 21 78.946 -8.741 -1.533 1.00 0.00 H new ATOM 0 HA GLU A 21 76.106 -8.029 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.817 -9.832 -3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.294 -9.058 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.510 -10.757 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 21 76.996 -11.638 -2.463 1.00 0.00 H new ATOM 329 N LYS A 22 75.510 -9.398 -0.041 1.00 0.00 N ATOM 330 CA LYS A 22 75.137 -10.168 1.141 1.00 0.00 C ATOM 331 C LYS A 22 75.148 -11.664 0.839 1.00 0.00 C ATOM 332 O LYS A 22 74.823 -12.088 -0.270 1.00 0.00 O ATOM 333 CB LYS A 22 73.740 -9.751 1.611 1.00 0.00 C ATOM 334 CG LYS A 22 73.508 -10.232 3.051 1.00 0.00 C ATOM 335 CD LYS A 22 73.990 -9.165 4.037 1.00 0.00 C ATOM 336 CE LYS A 22 73.974 -9.737 5.455 1.00 0.00 C ATOM 337 NZ LYS A 22 72.794 -10.633 5.617 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.864 -8.645 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 22 75.865 -9.966 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.638 -8.667 1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.983 -10.174 0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 22 72.449 -10.436 3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 22 74.042 -11.167 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 22 74.997 -8.841 3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 22 73.348 -8.286 3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 22 74.893 -10.291 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 22 73.932 -8.928 6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 72.604 -10.777 6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 71.963 -10.198 5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 72.990 -11.550 5.167 1.00 0.00 H new ATOM 351 N GLY A 23 75.520 -12.458 1.839 1.00 0.00 N ATOM 352 CA GLY A 23 75.566 -13.908 1.681 1.00 0.00 C ATOM 353 C GLY A 23 76.391 -14.307 0.462 1.00 0.00 C ATOM 354 O GLY A 23 76.138 -15.340 -0.158 1.00 0.00 O ATOM 0 H GLY A 23 75.793 -12.124 2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.994 -14.360 2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.553 -14.297 1.580 1.00 0.00 H new ATOM 358 N GLY A 24 77.380 -13.485 0.123 1.00 0.00 N ATOM 359 CA GLY A 24 78.235 -13.767 -1.024 1.00 0.00 C ATOM 360 C GLY A 24 79.446 -14.595 -0.612 1.00 0.00 C ATOM 361 O GLY A 24 79.343 -15.498 0.217 1.00 0.00 O ATOM 0 H GLY A 24 77.608 -12.625 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.665 -14.302 -1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.566 -12.831 -1.474 1.00 0.00 H new ATOM 365 N LYS A 25 80.592 -14.275 -1.202 1.00 0.00 N ATOM 366 CA LYS A 25 81.828 -14.986 -0.897 1.00 0.00 C ATOM 367 C LYS A 25 83.029 -14.069 -1.105 1.00 0.00 C ATOM 368 O LYS A 25 83.422 -13.792 -2.239 1.00 0.00 O ATOM 369 CB LYS A 25 81.954 -16.222 -1.794 1.00 0.00 C ATOM 370 CG LYS A 25 81.389 -15.905 -3.180 1.00 0.00 C ATOM 371 CD LYS A 25 81.798 -17.004 -4.164 1.00 0.00 C ATOM 372 CE LYS A 25 80.931 -16.913 -5.421 1.00 0.00 C ATOM 373 NZ LYS A 25 79.576 -17.463 -5.133 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.691 -13.530 -1.892 1.00 0.00 H new ATOM 0 HA LYS A 25 81.803 -15.302 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.999 -16.521 -1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.416 -17.061 -1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.303 -15.831 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 25 81.760 -14.939 -3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.850 -16.898 -4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.683 -17.984 -3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.852 -15.876 -5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 25 81.395 -17.469 -6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 79.101 -17.701 -6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 79.666 -18.319 -4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 79.015 -16.753 -4.621 1.00 0.00 H new ATOM 387 N HIS A 26 83.604 -13.598 -0.005 1.00 0.00 N ATOM 388 CA HIS A 26 84.759 -12.708 -0.081 1.00 0.00 C ATOM 389 C HIS A 26 85.869 -13.345 -0.915 1.00 0.00 C ATOM 390 O HIS A 26 86.324 -14.450 -0.621 1.00 0.00 O ATOM 391 CB HIS A 26 85.284 -12.382 1.329 1.00 0.00 C ATOM 392 CG HIS A 26 84.605 -13.256 2.349 1.00 0.00 C ATOM 393 ND1 HIS A 26 84.831 -14.622 2.424 1.00 0.00 N ATOM 394 CD2 HIS A 26 83.700 -12.972 3.342 1.00 0.00 C ATOM 395 CE1 HIS A 26 84.078 -15.103 3.429 1.00 0.00 C ATOM 396 NE2 HIS A 26 83.369 -14.140 4.023 1.00 0.00 N ATOM 0 H HIS A 26 83.294 -13.814 0.942 1.00 0.00 H new ATOM 0 HA HIS A 26 84.444 -11.781 -0.561 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.363 -12.535 1.368 1.00 0.00 H new ATOM 0 HB3 HIS A 26 85.102 -11.332 1.559 1.00 0.00 H new ATOM 0 HD2 HIS A 26 83.305 -11.991 3.561 1.00 0.00 H new ATOM 0 HE1 HIS A 26 84.050 -16.143 3.720 1.00 0.00 H new ATOM 0 HE2 HIS A 26 82.724 -14.239 4.807 1.00 0.00 H new ATOM 405 N LYS A 27 86.299 -12.634 -1.955 1.00 0.00 N ATOM 406 CA LYS A 27 87.357 -13.126 -2.833 1.00 0.00 C ATOM 407 C LYS A 27 88.531 -12.153 -2.844 1.00 0.00 C ATOM 408 O LYS A 27 88.388 -11.000 -3.251 1.00 0.00 O ATOM 409 CB LYS A 27 86.816 -13.295 -4.254 1.00 0.00 C ATOM 410 CG LYS A 27 87.956 -13.690 -5.196 1.00 0.00 C ATOM 411 CD LYS A 27 87.376 -14.183 -6.525 1.00 0.00 C ATOM 412 CE LYS A 27 86.415 -13.133 -7.088 1.00 0.00 C ATOM 413 NZ LYS A 27 86.225 -13.367 -8.547 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.932 -11.717 -2.210 1.00 0.00 H new ATOM 0 HA LYS A 27 87.701 -14.091 -2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 27 86.038 -14.058 -4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.357 -12.366 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 27 88.612 -12.836 -5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.564 -14.472 -4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 27 88.180 -14.373 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 27 86.852 -15.127 -6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.456 -13.188 -6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 27 86.812 -12.132 -6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 85.572 -12.654 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 87.142 -13.294 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 85.828 -14.316 -8.698 1.00 0.00 H new ATOM 427 N THR A 28 89.691 -12.622 -2.394 1.00 0.00 N ATOM 428 CA THR A 28 90.879 -11.779 -2.355 1.00 0.00 C ATOM 429 C THR A 28 90.588 -10.486 -1.599 1.00 0.00 C ATOM 430 O THR A 28 91.209 -9.453 -1.850 1.00 0.00 O ATOM 431 CB THR A 28 91.337 -11.452 -3.780 1.00 0.00 C ATOM 432 OG1 THR A 28 91.207 -12.611 -4.592 1.00 0.00 O ATOM 433 CG2 THR A 28 92.802 -10.999 -3.766 1.00 0.00 C ATOM 0 H THR A 28 89.832 -13.573 -2.054 1.00 0.00 H new ATOM 0 HA THR A 28 91.672 -12.320 -1.838 1.00 0.00 H new ATOM 0 HB THR A 28 90.719 -10.649 -4.182 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.498 -12.405 -5.505 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.121 -10.768 -4.782 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.902 -10.110 -3.143 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.426 -11.797 -3.362 1.00 0.00 H new ATOM 441 N GLY A 29 89.640 -10.552 -0.672 1.00 0.00 N ATOM 442 CA GLY A 29 89.275 -9.382 0.116 1.00 0.00 C ATOM 443 C GLY A 29 87.971 -9.620 0.874 1.00 0.00 C ATOM 444 O GLY A 29 87.163 -10.465 0.485 1.00 0.00 O ATOM 0 H GLY A 29 89.114 -11.397 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.073 -9.150 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.167 -8.517 -0.539 1.00 0.00 H new ATOM 448 N PRO A 30 87.754 -8.895 1.940 1.00 0.00 N ATOM 449 CA PRO A 30 86.518 -9.028 2.768 1.00 0.00 C ATOM 450 C PRO A 30 85.291 -8.444 2.070 1.00 0.00 C ATOM 451 O PRO A 30 85.408 -7.769 1.047 1.00 0.00 O ATOM 452 CB PRO A 30 86.852 -8.241 4.039 1.00 0.00 C ATOM 453 CG PRO A 30 87.861 -7.226 3.611 1.00 0.00 C ATOM 454 CD PRO A 30 88.661 -7.867 2.477 1.00 0.00 C ATOM 0 HA PRO A 30 86.262 -10.070 2.960 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.964 -7.764 4.453 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.253 -8.894 4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.373 -6.311 3.274 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.513 -6.952 4.440 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.931 -7.135 1.715 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.590 -8.305 2.842 1.00 0.00 H new ATOM 462 N ASN A 31 84.116 -8.703 2.634 1.00 0.00 N ATOM 463 CA ASN A 31 82.871 -8.194 2.067 1.00 0.00 C ATOM 464 C ASN A 31 82.563 -6.816 2.644 1.00 0.00 C ATOM 465 O ASN A 31 83.171 -6.401 3.629 1.00 0.00 O ATOM 466 CB ASN A 31 81.722 -9.154 2.386 1.00 0.00 C ATOM 467 CG ASN A 31 81.295 -9.000 3.844 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.754 -7.963 4.227 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.508 -9.977 4.682 1.00 0.00 N ATOM 0 H ASN A 31 83.999 -9.260 3.480 1.00 0.00 H new ATOM 0 HA ASN A 31 82.981 -8.114 0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.876 -8.952 1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.034 -10.181 2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.226 -9.883 5.658 1.00 0.00 H new ATOM 0 HD22 ASN A 31 81.957 -10.835 4.361 1.00 0.00 H new ATOM 476 N LEU A 32 81.614 -6.111 2.032 1.00 0.00 N ATOM 477 CA LEU A 32 81.232 -4.780 2.506 1.00 0.00 C ATOM 478 C LEU A 32 79.759 -4.760 2.911 1.00 0.00 C ATOM 479 O LEU A 32 79.060 -3.773 2.682 1.00 0.00 O ATOM 480 CB LEU A 32 81.457 -3.725 1.417 1.00 0.00 C ATOM 481 CG LEU A 32 82.849 -3.861 0.785 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.098 -2.652 -0.126 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.930 -3.903 1.872 1.00 0.00 C ATOM 0 H LEU A 32 81.098 -6.434 1.214 1.00 0.00 H new ATOM 0 HA LEU A 32 81.856 -4.547 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.694 -3.828 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.346 -2.729 1.845 1.00 0.00 H new ATOM 0 HG LEU A 32 82.892 -4.787 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.085 -2.737 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.339 -2.623 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.048 -1.736 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.911 -4.000 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.895 -2.983 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.754 -4.756 2.527 1.00 0.00 H new ATOM 495 N HIS A 33 79.292 -5.850 3.511 1.00 0.00 N ATOM 496 CA HIS A 33 77.897 -5.935 3.939 1.00 0.00 C ATOM 497 C HIS A 33 77.602 -4.884 5.004 1.00 0.00 C ATOM 498 O HIS A 33 78.441 -4.608 5.860 1.00 0.00 O ATOM 499 CB HIS A 33 77.607 -7.328 4.501 1.00 0.00 C ATOM 500 CG HIS A 33 77.909 -8.366 3.455 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.207 -9.680 3.783 1.00 0.00 N ATOM 502 CD2 HIS A 33 77.963 -8.300 2.085 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.425 -10.344 2.633 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.289 -9.550 1.568 1.00 0.00 N ATOM 0 H HIS A 33 79.851 -6.680 3.711 1.00 0.00 H new ATOM 0 HA HIS A 33 77.258 -5.752 3.075 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.212 -7.506 5.390 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.563 -7.398 4.807 1.00 0.00 H new ATOM 0 HD2 HIS A 33 77.780 -7.412 1.497 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.679 -11.392 2.578 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.400 -9.805 0.587 1.00 0.00 H new ATOM 513 N GLY A 34 76.407 -4.296 4.945 1.00 0.00 N ATOM 514 CA GLY A 34 76.019 -3.272 5.916 1.00 0.00 C ATOM 515 C GLY A 34 77.220 -2.418 6.304 1.00 0.00 C ATOM 516 O GLY A 34 77.313 -1.924 7.427 1.00 0.00 O ATOM 0 H GLY A 34 75.698 -4.508 4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.238 -2.640 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.600 -3.745 6.804 1.00 0.00 H new ATOM 520 N LEU A 35 78.142 -2.264 5.363 1.00 0.00 N ATOM 521 CA LEU A 35 79.352 -1.485 5.594 1.00 0.00 C ATOM 522 C LEU A 35 79.030 -0.165 6.290 1.00 0.00 C ATOM 523 O LEU A 35 79.550 0.131 7.364 1.00 0.00 O ATOM 524 CB LEU A 35 80.028 -1.206 4.244 1.00 0.00 C ATOM 525 CG LEU A 35 81.264 -0.309 4.431 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.498 -1.176 4.690 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.493 0.521 3.164 1.00 0.00 C ATOM 0 H LEU A 35 78.075 -2.670 4.429 1.00 0.00 H new ATOM 0 HA LEU A 35 80.020 -2.054 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.322 -2.146 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.320 -0.723 3.570 1.00 0.00 H new ATOM 0 HG LEU A 35 81.098 0.353 5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.371 -0.537 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.343 -1.769 5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.660 -1.841 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.369 1.156 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.654 -0.145 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.619 1.144 2.974 1.00 0.00 H new ATOM 539 N PHE A 36 78.179 0.630 5.663 1.00 0.00 N ATOM 540 CA PHE A 36 77.808 1.925 6.220 1.00 0.00 C ATOM 541 C PHE A 36 77.234 1.779 7.628 1.00 0.00 C ATOM 542 O PHE A 36 76.024 1.627 7.799 1.00 0.00 O ATOM 543 CB PHE A 36 76.786 2.612 5.308 1.00 0.00 C ATOM 544 CG PHE A 36 77.265 2.546 3.873 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.086 1.373 3.127 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.896 3.654 3.290 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.538 1.307 1.805 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.348 3.586 1.970 1.00 0.00 C ATOM 549 CZ PHE A 36 78.171 2.413 1.226 1.00 0.00 C ATOM 0 H PHE A 36 77.733 0.406 4.773 1.00 0.00 H new ATOM 0 HA PHE A 36 78.708 2.537 6.283 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.815 2.126 5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.653 3.651 5.611 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.598 0.519 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.033 4.560 3.862 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.399 0.403 1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.835 4.440 1.522 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.523 2.362 0.206 1.00 0.00 H new ATOM 559 N GLY A 37 78.106 1.845 8.636 1.00 0.00 N ATOM 560 CA GLY A 37 77.662 1.736 10.026 1.00 0.00 C ATOM 561 C GLY A 37 78.632 0.928 10.890 1.00 0.00 C ATOM 562 O GLY A 37 78.698 1.129 12.103 1.00 0.00 O ATOM 0 H GLY A 37 79.111 1.972 8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.551 2.735 10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.679 1.267 10.054 1.00 0.00 H new ATOM 566 N ARG A 38 79.369 0.007 10.276 1.00 0.00 N ATOM 567 CA ARG A 38 80.311 -0.827 11.030 1.00 0.00 C ATOM 568 C ARG A 38 81.679 -0.152 11.152 1.00 0.00 C ATOM 569 O ARG A 38 82.125 0.544 10.241 1.00 0.00 O ATOM 570 CB ARG A 38 80.478 -2.188 10.340 1.00 0.00 C ATOM 571 CG ARG A 38 79.557 -3.237 10.984 1.00 0.00 C ATOM 572 CD ARG A 38 79.998 -4.645 10.559 1.00 0.00 C ATOM 573 NE ARG A 38 79.340 -5.029 9.313 1.00 0.00 N ATOM 574 CZ ARG A 38 79.899 -5.893 8.466 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.068 -6.414 8.730 1.00 0.00 N ATOM 576 NH2 ARG A 38 79.277 -6.221 7.369 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.337 -0.182 9.274 1.00 0.00 H new ATOM 0 HA ARG A 38 79.903 -0.966 12.031 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.246 -2.095 9.279 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.516 -2.514 10.412 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.591 -3.147 12.070 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.524 -3.062 10.682 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.080 -4.671 10.429 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.754 -5.362 11.343 1.00 0.00 H new ATOM 0 HE ARG A 38 78.431 -4.626 9.086 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.558 -6.160 9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.491 -7.075 8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 38 78.364 -5.817 7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.703 -6.882 6.719 1.00 0.00 H new ATOM 590 N LYS A 39 82.341 -0.379 12.288 1.00 0.00 N ATOM 591 CA LYS A 39 83.661 0.199 12.533 1.00 0.00 C ATOM 592 C LYS A 39 84.703 -0.414 11.597 1.00 0.00 C ATOM 593 O LYS A 39 84.423 -1.379 10.888 1.00 0.00 O ATOM 594 CB LYS A 39 84.072 -0.038 13.993 1.00 0.00 C ATOM 595 CG LYS A 39 83.686 1.175 14.853 1.00 0.00 C ATOM 596 CD LYS A 39 84.775 2.250 14.762 1.00 0.00 C ATOM 597 CE LYS A 39 84.439 3.398 15.715 1.00 0.00 C ATOM 598 NZ LYS A 39 85.624 4.290 15.857 1.00 0.00 N1+ ATOM 0 H LYS A 39 81.985 -0.957 13.049 1.00 0.00 H new ATOM 0 HA LYS A 39 83.609 1.271 12.340 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.584 -0.935 14.375 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.147 -0.209 14.053 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.733 1.582 14.516 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.552 0.868 15.890 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.745 1.823 15.018 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.850 2.622 13.740 1.00 0.00 H new ATOM 0 HE2 LYS A 39 83.589 3.964 15.334 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.149 3.003 16.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 85.395 5.071 16.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 86.424 3.746 16.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 85.881 4.677 14.926 1.00 0.00 H new ATOM 612 N THR A 40 85.906 0.158 11.602 1.00 0.00 N ATOM 613 CA THR A 40 86.985 -0.334 10.749 1.00 0.00 C ATOM 614 C THR A 40 87.457 -1.713 11.195 1.00 0.00 C ATOM 615 O THR A 40 87.455 -2.031 12.384 1.00 0.00 O ATOM 616 CB THR A 40 88.161 0.648 10.777 1.00 0.00 C ATOM 617 OG1 THR A 40 88.411 1.048 12.116 1.00 0.00 O ATOM 618 CG2 THR A 40 87.824 1.877 9.930 1.00 0.00 C ATOM 0 H THR A 40 86.157 0.958 12.184 1.00 0.00 H new ATOM 0 HA THR A 40 86.600 -0.417 9.732 1.00 0.00 H new ATOM 0 HB THR A 40 89.048 0.162 10.371 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.095 0.466 12.509 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.662 2.574 9.951 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.634 1.569 8.902 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.936 2.364 10.333 1.00 0.00 H new ATOM 626 N GLY A 41 87.869 -2.525 10.226 1.00 0.00 N ATOM 627 CA GLY A 41 88.354 -3.871 10.515 1.00 0.00 C ATOM 628 C GLY A 41 87.446 -4.588 11.503 1.00 0.00 C ATOM 629 O GLY A 41 87.912 -5.131 12.505 1.00 0.00 O ATOM 0 H GLY A 41 87.877 -2.276 9.237 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.413 -4.445 9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.364 -3.816 10.921 1.00 0.00 H new ATOM 633 N GLN A 42 86.151 -4.589 11.217 1.00 0.00 N ATOM 634 CA GLN A 42 85.187 -5.249 12.093 1.00 0.00 C ATOM 635 C GLN A 42 84.734 -6.570 11.485 1.00 0.00 C ATOM 636 O GLN A 42 84.216 -7.442 12.182 1.00 0.00 O ATOM 637 CB GLN A 42 83.971 -4.347 12.320 1.00 0.00 C ATOM 638 CG GLN A 42 83.000 -5.036 13.283 1.00 0.00 C ATOM 639 CD GLN A 42 82.015 -4.020 13.850 1.00 0.00 C ATOM 640 OE1 GLN A 42 81.496 -4.206 14.950 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.724 -2.952 13.161 1.00 0.00 N ATOM 0 H GLN A 42 85.744 -4.145 10.394 1.00 0.00 H new ATOM 0 HA GLN A 42 85.672 -5.444 13.049 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.287 -3.388 12.729 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.475 -4.141 11.372 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.460 -5.827 12.763 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.554 -5.509 14.094 1.00 0.00 H new ATOM 0 HE21 GLN A 42 82.156 -2.800 12.249 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.065 -2.269 13.534 1.00 0.00 H new ATOM 650 N ALA A 43 84.937 -6.713 10.179 1.00 0.00 N ATOM 651 CA ALA A 43 84.552 -7.934 9.487 1.00 0.00 C ATOM 652 C ALA A 43 85.592 -9.033 9.738 1.00 0.00 C ATOM 653 O ALA A 43 86.773 -8.846 9.448 1.00 0.00 O ATOM 654 CB ALA A 43 84.442 -7.654 7.984 1.00 0.00 C ATOM 0 H ALA A 43 85.363 -6.003 9.584 1.00 0.00 H new ATOM 0 HA ALA A 43 83.587 -8.272 9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 43 84.154 -8.567 7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 43 83.689 -6.885 7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 43 85.405 -7.310 7.607 1.00 0.00 H new ATOM 660 N PRO A 44 85.188 -10.163 10.268 1.00 0.00 N ATOM 661 CA PRO A 44 86.125 -11.290 10.551 1.00 0.00 C ATOM 662 C PRO A 44 86.483 -12.073 9.289 1.00 0.00 C ATOM 663 O PRO A 44 87.335 -12.961 9.318 1.00 0.00 O ATOM 664 CB PRO A 44 85.341 -12.161 11.533 1.00 0.00 C ATOM 665 CG PRO A 44 83.906 -11.937 11.181 1.00 0.00 C ATOM 666 CD PRO A 44 83.805 -10.500 10.658 1.00 0.00 C ATOM 0 HA PRO A 44 87.081 -10.945 10.945 1.00 0.00 H new ATOM 0 HB2 PRO A 44 85.613 -13.212 11.434 1.00 0.00 H new ATOM 0 HB3 PRO A 44 85.544 -11.875 12.565 1.00 0.00 H new ATOM 0 HG2 PRO A 44 83.577 -12.649 10.424 1.00 0.00 H new ATOM 0 HG3 PRO A 44 83.266 -12.079 12.052 1.00 0.00 H new ATOM 0 HD2 PRO A 44 83.123 -10.431 9.810 1.00 0.00 H new ATOM 0 HD3 PRO A 44 83.430 -9.822 11.425 1.00 0.00 H new ATOM 674 N GLY A 45 85.822 -11.739 8.187 1.00 0.00 N ATOM 675 CA GLY A 45 86.073 -12.419 6.922 1.00 0.00 C ATOM 676 C GLY A 45 87.565 -12.478 6.612 1.00 0.00 C ATOM 677 O GLY A 45 88.177 -13.544 6.658 1.00 0.00 O ATOM 0 H GLY A 45 85.113 -11.007 8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 45 85.668 -13.430 6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 45 85.552 -11.899 6.118 1.00 0.00 H new ATOM 681 N PHE A 46 88.143 -11.325 6.288 1.00 0.00 N ATOM 682 CA PHE A 46 89.566 -11.254 5.962 1.00 0.00 C ATOM 683 C PHE A 46 90.384 -10.813 7.172 1.00 0.00 C ATOM 684 O PHE A 46 89.875 -10.139 8.067 1.00 0.00 O ATOM 685 CB PHE A 46 89.781 -10.265 4.814 1.00 0.00 C ATOM 686 CG PHE A 46 91.167 -10.445 4.243 1.00 0.00 C ATOM 687 CD1 PHE A 46 91.398 -11.420 3.266 1.00 0.00 C ATOM 688 CD2 PHE A 46 92.219 -9.637 4.690 1.00 0.00 C ATOM 689 CE1 PHE A 46 92.683 -11.589 2.736 1.00 0.00 C ATOM 690 CE2 PHE A 46 93.504 -9.805 4.159 1.00 0.00 C ATOM 691 CZ PHE A 46 93.735 -10.780 3.181 1.00 0.00 C ATOM 0 H PHE A 46 87.653 -10.432 6.244 1.00 0.00 H new ATOM 0 HA PHE A 46 89.899 -12.248 5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 46 89.033 -10.426 4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 46 89.654 -9.243 5.172 1.00 0.00 H new ATOM 0 HD1 PHE A 46 90.585 -12.042 2.921 1.00 0.00 H new ATOM 0 HD2 PHE A 46 92.040 -8.885 5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 46 92.862 -12.343 1.984 1.00 0.00 H new ATOM 0 HE2 PHE A 46 94.317 -9.183 4.504 1.00 0.00 H new ATOM 0 HZ PHE A 46 94.725 -10.908 2.770 1.00 0.00 H new ATOM 701 N THR A 47 91.658 -11.197 7.188 1.00 0.00 N ATOM 702 CA THR A 47 92.546 -10.834 8.287 1.00 0.00 C ATOM 703 C THR A 47 92.885 -9.348 8.221 1.00 0.00 C ATOM 704 O THR A 47 93.902 -8.956 7.648 1.00 0.00 O ATOM 705 CB THR A 47 93.831 -11.659 8.215 1.00 0.00 C ATOM 706 OG1 THR A 47 93.504 -13.022 7.984 1.00 0.00 O ATOM 707 CG2 THR A 47 94.599 -11.533 9.532 1.00 0.00 C ATOM 0 H THR A 47 92.096 -11.756 6.456 1.00 0.00 H new ATOM 0 HA THR A 47 92.039 -11.041 9.229 1.00 0.00 H new ATOM 0 HB THR A 47 94.453 -11.290 7.400 1.00 0.00 H new ATOM 0 HG1 THR A 47 94.327 -13.552 7.936 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.514 -12.122 9.477 1.00 0.00 H new ATOM 0 HG22 THR A 47 94.851 -10.487 9.708 1.00 0.00 H new ATOM 0 HG23 THR A 47 93.980 -11.900 10.351 1.00 0.00 H new ATOM 715 N TYR A 48 92.018 -8.530 8.803 1.00 0.00 N ATOM 716 CA TYR A 48 92.217 -7.085 8.802 1.00 0.00 C ATOM 717 C TYR A 48 93.518 -6.706 9.502 1.00 0.00 C ATOM 718 O TYR A 48 93.995 -7.420 10.384 1.00 0.00 O ATOM 719 CB TYR A 48 91.036 -6.401 9.495 1.00 0.00 C ATOM 720 CG TYR A 48 89.911 -6.230 8.507 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.866 -5.092 7.697 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.915 -7.207 8.402 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.824 -4.928 6.782 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.871 -7.042 7.487 1.00 0.00 C ATOM 725 CZ TYR A 48 87.825 -5.901 6.677 1.00 0.00 C ATOM 726 OH TYR A 48 86.795 -5.735 5.778 1.00 0.00 O ATOM 0 H TYR A 48 91.172 -8.840 9.281 1.00 0.00 H new ATOM 0 HA TYR A 48 92.279 -6.750 7.767 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.702 -6.998 10.344 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.342 -5.431 9.887 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.637 -4.340 7.779 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.953 -8.087 9.027 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.790 -4.049 6.155 1.00 0.00 H new ATOM 0 HE2 TYR A 48 87.100 -7.794 7.405 1.00 0.00 H new ATOM 0 HH TYR A 48 86.029 -5.324 6.230 1.00 0.00 H new ATOM 736 N THR A 49 94.082 -5.572 9.098 1.00 0.00 N ATOM 737 CA THR A 49 95.327 -5.093 9.687 1.00 0.00 C ATOM 738 C THR A 49 95.056 -4.365 10.999 1.00 0.00 C ATOM 739 O THR A 49 93.935 -3.930 11.259 1.00 0.00 O ATOM 740 CB THR A 49 96.031 -4.146 8.712 1.00 0.00 C ATOM 741 OG1 THR A 49 95.230 -2.989 8.518 1.00 0.00 O ATOM 742 CG2 THR A 49 96.243 -4.853 7.371 1.00 0.00 C ATOM 0 H THR A 49 93.699 -4.970 8.369 1.00 0.00 H new ATOM 0 HA THR A 49 95.967 -5.952 9.889 1.00 0.00 H new ATOM 0 HB THR A 49 96.998 -3.855 9.122 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.401 -2.348 9.239 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.744 -4.177 6.678 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.858 -5.740 7.521 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.278 -5.146 6.957 1.00 0.00 H new ATOM 750 N ASP A 50 96.091 -4.237 11.824 1.00 0.00 N ATOM 751 CA ASP A 50 95.951 -3.557 13.107 1.00 0.00 C ATOM 752 C ASP A 50 95.362 -2.165 12.913 1.00 0.00 C ATOM 753 O ASP A 50 94.512 -1.726 13.689 1.00 0.00 O ATOM 754 CB ASP A 50 97.315 -3.446 13.790 1.00 0.00 C ATOM 755 CG ASP A 50 98.045 -4.783 13.721 1.00 0.00 C ATOM 756 OD1 ASP A 50 97.498 -5.759 14.207 1.00 0.00 O1- ATOM 757 OD2 ASP A 50 99.141 -4.811 13.185 1.00 0.00 O ATOM 0 H ASP A 50 97.027 -4.592 11.630 1.00 0.00 H new ATOM 0 HA ASP A 50 95.277 -4.140 13.735 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.911 -2.672 13.306 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.186 -3.146 14.830 1.00 0.00 H new ATOM 762 N ALA A 51 95.820 -1.475 11.873 1.00 0.00 N ATOM 763 CA ALA A 51 95.334 -0.131 11.581 1.00 0.00 C ATOM 764 C ALA A 51 93.817 -0.123 11.430 1.00 0.00 C ATOM 765 O ALA A 51 93.143 0.785 11.910 1.00 0.00 O ATOM 766 CB ALA A 51 95.979 0.385 10.297 1.00 0.00 C ATOM 0 H ALA A 51 96.524 -1.822 11.221 1.00 0.00 H new ATOM 0 HA ALA A 51 95.603 0.519 12.413 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.612 1.389 10.084 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.062 0.412 10.419 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.724 -0.278 9.470 1.00 0.00 H new ATOM 772 N ASN A 52 93.286 -1.139 10.760 1.00 0.00 N ATOM 773 CA ASN A 52 91.844 -1.237 10.556 1.00 0.00 C ATOM 774 C ASN A 52 91.175 -1.808 11.802 1.00 0.00 C ATOM 775 O ASN A 52 90.003 -1.542 12.072 1.00 0.00 O ATOM 776 CB ASN A 52 91.549 -2.137 9.347 1.00 0.00 C ATOM 777 CG ASN A 52 91.450 -1.300 8.075 1.00 0.00 C ATOM 778 OD1 ASN A 52 92.081 -0.250 7.968 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.688 -1.711 7.098 1.00 0.00 N ATOM 0 H ASN A 52 93.826 -1.901 10.351 1.00 0.00 H new ATOM 0 HA ASN A 52 91.445 -0.240 10.367 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.337 -2.883 9.239 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.617 -2.679 9.507 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.615 -1.161 6.242 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.166 -2.582 7.190 1.00 0.00 H new ATOM 786 N LYS A 53 91.937 -2.584 12.565 1.00 0.00 N ATOM 787 CA LYS A 53 91.424 -3.187 13.787 1.00 0.00 C ATOM 788 C LYS A 53 91.554 -2.192 14.934 1.00 0.00 C ATOM 789 O LYS A 53 90.991 -2.386 16.010 1.00 0.00 O ATOM 790 CB LYS A 53 92.203 -4.485 14.085 1.00 0.00 C ATOM 791 CG LYS A 53 92.574 -4.581 15.571 1.00 0.00 C ATOM 792 CD LYS A 53 93.287 -5.909 15.832 1.00 0.00 C ATOM 793 CE LYS A 53 93.673 -6.000 17.309 1.00 0.00 C ATOM 794 NZ LYS A 53 94.842 -5.113 17.572 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.910 -2.809 12.358 1.00 0.00 H new ATOM 0 HA LYS A 53 90.370 -3.439 13.668 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.600 -5.347 13.802 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.108 -4.516 13.479 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.219 -3.748 15.851 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.677 -4.510 16.186 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.637 -6.742 15.563 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.177 -5.985 15.207 1.00 0.00 H new ATOM 0 HE2 LYS A 53 92.831 -5.705 17.935 1.00 0.00 H new ATOM 0 HE3 LYS A 53 93.918 -7.030 17.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.222 -5.311 18.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.579 -5.290 16.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 94.542 -4.119 17.520 1.00 0.00 H new ATOM 808 N ASN A 54 92.300 -1.123 14.685 1.00 0.00 N ATOM 809 CA ASN A 54 92.503 -0.094 15.694 1.00 0.00 C ATOM 810 C ASN A 54 91.189 0.605 16.008 1.00 0.00 C ATOM 811 O ASN A 54 91.042 1.252 17.045 1.00 0.00 O ATOM 812 CB ASN A 54 93.519 0.927 15.180 1.00 0.00 C ATOM 813 CG ASN A 54 92.824 2.037 14.393 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.187 3.206 14.519 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.842 1.740 13.588 1.00 0.00 N ATOM 0 H ASN A 54 92.772 -0.947 13.798 1.00 0.00 H new ATOM 0 HA ASN A 54 92.878 -0.559 16.605 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.065 1.358 16.020 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.252 0.429 14.545 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.373 2.477 13.061 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.543 0.770 13.485 1.00 0.00 H new ATOM 822 N LYS A 55 90.240 0.470 15.096 1.00 0.00 N ATOM 823 CA LYS A 55 88.931 1.093 15.268 1.00 0.00 C ATOM 824 C LYS A 55 89.082 2.605 15.413 1.00 0.00 C ATOM 825 O LYS A 55 88.771 3.173 16.459 1.00 0.00 O ATOM 826 CB LYS A 55 88.235 0.523 16.509 1.00 0.00 C ATOM 827 CG LYS A 55 88.584 -0.962 16.664 1.00 0.00 C ATOM 828 CD LYS A 55 87.497 -1.670 17.485 1.00 0.00 C ATOM 829 CE LYS A 55 86.377 -2.150 16.557 1.00 0.00 C ATOM 830 NZ LYS A 55 85.174 -2.494 17.368 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.347 -0.062 14.232 1.00 0.00 H new ATOM 0 HA LYS A 55 88.325 0.878 14.388 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.546 1.074 17.397 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.156 0.645 16.420 1.00 0.00 H new ATOM 0 HG2 LYS A 55 88.673 -1.428 15.683 1.00 0.00 H new ATOM 0 HG3 LYS A 55 89.551 -1.068 17.156 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.926 -2.517 18.020 1.00 0.00 H new ATOM 0 HD3 LYS A 55 87.094 -0.990 18.235 1.00 0.00 H new ATOM 0 HE2 LYS A 55 86.131 -1.373 15.834 1.00 0.00 H new ATOM 0 HE3 LYS A 55 86.708 -3.020 15.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.413 -2.820 16.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.414 -3.249 18.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.855 -1.653 17.890 1.00 0.00 H new ATOM 844 N GLY A 56 89.569 3.251 14.358 1.00 0.00 N ATOM 845 CA GLY A 56 89.766 4.697 14.385 1.00 0.00 C ATOM 846 C GLY A 56 88.491 5.438 14.000 1.00 0.00 C ATOM 847 O GLY A 56 88.122 6.425 14.635 1.00 0.00 O ATOM 0 H GLY A 56 89.833 2.802 13.481 1.00 0.00 H new ATOM 0 HA2 GLY A 56 90.081 5.005 15.382 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.568 4.970 13.699 1.00 0.00 H new ATOM 851 N ILE A 57 87.826 4.961 12.954 1.00 0.00 N ATOM 852 CA ILE A 57 86.593 5.592 12.493 1.00 0.00 C ATOM 853 C ILE A 57 85.614 4.540 11.987 1.00 0.00 C ATOM 854 O ILE A 57 85.962 3.365 11.868 1.00 0.00 O ATOM 855 CB ILE A 57 86.906 6.597 11.381 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.414 5.853 10.135 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.986 7.565 11.868 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.237 5.289 9.326 1.00 0.00 C ATOM 0 H ILE A 57 88.116 4.147 12.413 1.00 0.00 H new ATOM 0 HA ILE A 57 86.135 6.118 13.330 1.00 0.00 H new ATOM 0 HB ILE A 57 86.001 7.149 11.126 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.998 6.531 9.513 1.00 0.00 H new ATOM 0 HG13 ILE A 57 88.078 5.042 10.434 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.213 8.283 11.080 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.628 8.095 12.750 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.887 7.007 12.121 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.616 4.766 8.448 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.670 4.594 9.945 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.588 6.106 9.010 1.00 0.00 H new ATOM 870 N THR A 58 84.388 4.966 11.697 1.00 0.00 N ATOM 871 CA THR A 58 83.361 4.047 11.214 1.00 0.00 C ATOM 872 C THR A 58 83.027 4.316 9.752 1.00 0.00 C ATOM 873 O THR A 58 82.951 5.466 9.323 1.00 0.00 O ATOM 874 CB THR A 58 82.094 4.191 12.065 1.00 0.00 C ATOM 875 OG1 THR A 58 82.334 3.661 13.361 1.00 0.00 O ATOM 876 CG2 THR A 58 80.939 3.433 11.408 1.00 0.00 C ATOM 0 H THR A 58 84.082 5.935 11.787 1.00 0.00 H new ATOM 0 HA THR A 58 83.748 3.031 11.297 1.00 0.00 H new ATOM 0 HB THR A 58 81.831 5.246 12.144 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.526 3.754 13.907 1.00 0.00 H new ATOM 0 HG21 THR A 58 80.041 3.539 12.017 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.754 3.842 10.415 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.198 2.378 11.324 1.00 0.00 H new ATOM 884 N TRP A 59 82.813 3.241 8.994 1.00 0.00 N ATOM 885 CA TRP A 59 82.473 3.379 7.586 1.00 0.00 C ATOM 886 C TRP A 59 81.145 4.114 7.444 1.00 0.00 C ATOM 887 O TRP A 59 80.199 3.857 8.188 1.00 0.00 O ATOM 888 CB TRP A 59 82.359 2.006 6.918 1.00 0.00 C ATOM 889 CG TRP A 59 83.486 1.116 7.344 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.782 1.489 7.444 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.439 -0.294 7.719 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.532 0.397 7.850 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.746 -0.721 8.039 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.399 -1.233 7.811 1.00 0.00 C ATOM 895 CZ2 TRP A 59 85.011 -2.032 8.438 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.662 -2.554 8.210 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.965 -2.951 8.524 1.00 0.00 C ATOM 0 H TRP A 59 82.869 2.279 9.329 1.00 0.00 H new ATOM 0 HA TRP A 59 83.266 3.946 7.098 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.406 1.546 7.181 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.369 2.121 5.834 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.169 2.477 7.241 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.542 0.417 7.992 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.388 -0.937 7.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 86.020 -2.333 8.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.853 -3.267 8.275 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.162 -3.967 8.833 1.00 0.00 H new ATOM 908 N LYS A 60 81.084 5.028 6.487 1.00 0.00 N ATOM 909 CA LYS A 60 79.872 5.802 6.250 1.00 0.00 C ATOM 910 C LYS A 60 79.838 6.268 4.800 1.00 0.00 C ATOM 911 O LYS A 60 80.555 5.732 3.959 1.00 0.00 O ATOM 912 CB LYS A 60 79.831 7.009 7.193 1.00 0.00 C ATOM 913 CG LYS A 60 79.671 6.524 8.637 1.00 0.00 C ATOM 914 CD LYS A 60 79.275 7.698 9.539 1.00 0.00 C ATOM 915 CE LYS A 60 80.494 8.585 9.792 1.00 0.00 C ATOM 916 NZ LYS A 60 80.145 9.634 10.792 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.858 5.253 5.862 1.00 0.00 H new ATOM 0 HA LYS A 60 79.001 5.176 6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.746 7.593 7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 60 79.003 7.666 6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.911 5.744 8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.604 6.083 8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.481 8.279 9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.881 7.326 10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.326 7.983 10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.819 9.049 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.974 10.238 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.363 10.215 10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.854 9.182 11.682 1.00 0.00 H new ATOM 930 N GLU A 61 79.006 7.261 4.504 1.00 0.00 N ATOM 931 CA GLU A 61 78.911 7.765 3.141 1.00 0.00 C ATOM 932 C GLU A 61 80.112 8.648 2.813 1.00 0.00 C ATOM 933 O GLU A 61 80.859 8.373 1.874 1.00 0.00 O ATOM 934 CB GLU A 61 77.622 8.571 2.970 1.00 0.00 C ATOM 935 CG GLU A 61 77.384 8.844 1.483 1.00 0.00 C ATOM 936 CD GLU A 61 76.046 9.551 1.291 1.00 0.00 C ATOM 937 OE1 GLU A 61 76.021 10.767 1.397 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.067 8.867 1.042 1.00 0.00 O1- ATOM 0 H GLU A 61 78.397 7.726 5.178 1.00 0.00 H new ATOM 0 HA GLU A 61 78.900 6.915 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.779 8.022 3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.693 9.511 3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.190 9.459 1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.393 7.907 0.927 1.00 0.00 H new ATOM 945 N GLU A 62 80.296 9.707 3.596 1.00 0.00 N ATOM 946 CA GLU A 62 81.411 10.623 3.376 1.00 0.00 C ATOM 947 C GLU A 62 82.738 9.948 3.701 1.00 0.00 C ATOM 948 O GLU A 62 83.704 10.063 2.949 1.00 0.00 O ATOM 949 CB GLU A 62 81.241 11.871 4.242 1.00 0.00 C ATOM 950 CG GLU A 62 79.898 12.532 3.927 1.00 0.00 C ATOM 951 CD GLU A 62 79.821 13.901 4.594 1.00 0.00 C ATOM 952 OE1 GLU A 62 79.905 13.951 5.810 1.00 0.00 O ATOM 953 OE2 GLU A 62 79.678 14.880 3.880 1.00 0.00 O1- ATOM 0 H GLU A 62 79.693 9.951 4.382 1.00 0.00 H new ATOM 0 HA GLU A 62 81.416 10.910 2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.288 11.603 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 62 82.056 12.571 4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.779 12.637 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.082 11.901 4.278 1.00 0.00 H new ATOM 960 N THR A 63 82.780 9.238 4.822 1.00 0.00 N ATOM 961 CA THR A 63 84.001 8.549 5.220 1.00 0.00 C ATOM 962 C THR A 63 84.517 7.713 4.061 1.00 0.00 C ATOM 963 O THR A 63 85.722 7.623 3.830 1.00 0.00 O ATOM 964 CB THR A 63 83.728 7.641 6.416 1.00 0.00 C ATOM 965 OG1 THR A 63 82.723 6.700 6.072 1.00 0.00 O ATOM 966 CG2 THR A 63 83.257 8.481 7.599 1.00 0.00 C ATOM 0 H THR A 63 81.995 9.125 5.463 1.00 0.00 H new ATOM 0 HA THR A 63 84.749 9.292 5.499 1.00 0.00 H new ATOM 0 HB THR A 63 84.642 7.115 6.689 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.124 5.963 5.566 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.062 7.831 8.452 1.00 0.00 H new ATOM 0 HG22 THR A 63 84.029 9.204 7.862 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.342 9.009 7.329 1.00 0.00 H new ATOM 974 N LEU A 64 83.588 7.109 3.332 1.00 0.00 N ATOM 975 CA LEU A 64 83.952 6.283 2.191 1.00 0.00 C ATOM 976 C LEU A 64 84.512 7.157 1.070 1.00 0.00 C ATOM 977 O LEU A 64 85.417 6.744 0.348 1.00 0.00 O ATOM 978 CB LEU A 64 82.727 5.505 1.688 1.00 0.00 C ATOM 979 CG LEU A 64 82.839 4.020 2.070 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.516 3.312 1.747 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.981 3.361 1.279 1.00 0.00 C ATOM 0 H LEU A 64 82.586 7.175 3.509 1.00 0.00 H new ATOM 0 HA LEU A 64 84.717 5.572 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.819 5.929 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.646 5.603 0.605 1.00 0.00 H new ATOM 0 HG LEU A 64 83.049 3.937 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.592 2.259 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.708 3.774 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.307 3.399 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.055 2.309 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.779 3.443 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.921 3.863 1.510 1.00 0.00 H new ATOM 993 N MET A 65 83.966 8.366 0.923 1.00 0.00 N ATOM 994 CA MET A 65 84.432 9.273 -0.128 1.00 0.00 C ATOM 995 C MET A 65 85.914 9.590 0.040 1.00 0.00 C ATOM 996 O MET A 65 86.714 9.355 -0.865 1.00 0.00 O ATOM 997 CB MET A 65 83.636 10.580 -0.102 1.00 0.00 C ATOM 998 CG MET A 65 82.161 10.288 -0.366 1.00 0.00 C ATOM 999 SD MET A 65 81.190 11.791 -0.087 1.00 0.00 S ATOM 1000 CE MET A 65 80.883 12.192 -1.821 1.00 0.00 C ATOM 0 H MET A 65 83.215 8.735 1.506 1.00 0.00 H new ATOM 0 HA MET A 65 84.281 8.772 -1.084 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.753 11.069 0.865 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.021 11.267 -0.855 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.026 9.939 -1.390 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.814 9.490 0.291 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.288 13.103 -1.884 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.833 12.343 -2.333 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.342 11.372 -2.294 1.00 0.00 H new ATOM 1010 N GLU A 66 86.276 10.121 1.201 1.00 0.00 N ATOM 1011 CA GLU A 66 87.669 10.459 1.464 1.00 0.00 C ATOM 1012 C GLU A 66 88.528 9.204 1.404 1.00 0.00 C ATOM 1013 O GLU A 66 89.705 9.257 1.048 1.00 0.00 O ATOM 1014 CB GLU A 66 87.797 11.109 2.843 1.00 0.00 C ATOM 1015 CG GLU A 66 86.897 12.345 2.914 1.00 0.00 C ATOM 1016 CD GLU A 66 87.329 13.369 1.869 1.00 0.00 C ATOM 1017 OE1 GLU A 66 88.524 13.568 1.722 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 86.460 13.938 1.232 1.00 0.00 O ATOM 0 H GLU A 66 85.634 10.325 1.967 1.00 0.00 H new ATOM 0 HA GLU A 66 88.012 11.162 0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.516 10.397 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.834 11.390 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 66 85.859 12.059 2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 66 86.949 12.786 3.910 1.00 0.00 H new ATOM 1025 N TYR A 67 87.921 8.076 1.746 1.00 0.00 N ATOM 1026 CA TYR A 67 88.621 6.798 1.723 1.00 0.00 C ATOM 1027 C TYR A 67 88.730 6.284 0.290 1.00 0.00 C ATOM 1028 O TYR A 67 89.644 5.532 -0.044 1.00 0.00 O ATOM 1029 CB TYR A 67 87.864 5.790 2.593 1.00 0.00 C ATOM 1030 CG TYR A 67 88.331 4.382 2.298 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.790 3.681 1.214 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.292 3.776 3.115 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.214 2.374 0.944 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.715 2.469 2.846 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.176 1.768 1.760 1.00 0.00 C ATOM 1036 OH TYR A 67 89.593 0.480 1.495 1.00 0.00 O ATOM 0 H TYR A 67 86.947 8.019 2.042 1.00 0.00 H new ATOM 0 HA TYR A 67 89.628 6.929 2.119 1.00 0.00 H new ATOM 0 HB2 TYR A 67 88.022 6.019 3.647 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.793 5.871 2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 67 87.046 4.148 0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.707 4.316 3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.799 1.834 0.106 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.457 2.001 3.476 1.00 0.00 H new ATOM 0 HH TYR A 67 89.639 0.344 0.526 1.00 0.00 H new ATOM 1046 N LEU A 68 87.787 6.699 -0.550 1.00 0.00 N ATOM 1047 CA LEU A 68 87.778 6.278 -1.947 1.00 0.00 C ATOM 1048 C LEU A 68 88.789 7.086 -2.757 1.00 0.00 C ATOM 1049 O LEU A 68 89.240 6.651 -3.817 1.00 0.00 O ATOM 1050 CB LEU A 68 86.372 6.462 -2.540 1.00 0.00 C ATOM 1051 CG LEU A 68 85.509 5.224 -2.260 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.103 5.436 -2.813 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.114 3.994 -2.935 1.00 0.00 C ATOM 0 H LEU A 68 87.023 7.323 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 68 88.055 5.225 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.902 7.346 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.442 6.629 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 68 85.469 5.070 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.496 4.554 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.651 6.305 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.156 5.601 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.492 3.123 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.164 4.157 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.118 3.823 -2.547 1.00 0.00 H new ATOM 1065 N GLU A 69 89.144 8.262 -2.249 1.00 0.00 N ATOM 1066 CA GLU A 69 90.103 9.123 -2.925 1.00 0.00 C ATOM 1067 C GLU A 69 91.512 8.835 -2.409 1.00 0.00 C ATOM 1068 O GLU A 69 92.504 9.262 -2.998 1.00 0.00 O ATOM 1069 CB GLU A 69 89.725 10.590 -2.675 1.00 0.00 C ATOM 1070 CG GLU A 69 90.966 11.477 -2.756 1.00 0.00 C ATOM 1071 CD GLU A 69 90.556 12.942 -2.858 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.365 13.199 -2.930 1.00 0.00 O ATOM 1073 OE2 GLU A 69 91.438 13.785 -2.863 1.00 0.00 O1- ATOM 0 H GLU A 69 88.782 8.638 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 69 90.084 8.928 -3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 69 88.989 10.914 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 69 89.260 10.691 -1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 69 91.589 11.326 -1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.566 11.198 -3.622 1.00 0.00 H new ATOM 1080 N ASN A 70 91.586 8.101 -1.306 1.00 0.00 N ATOM 1081 CA ASN A 70 92.872 7.752 -0.712 1.00 0.00 C ATOM 1082 C ASN A 70 92.690 6.693 0.371 1.00 0.00 C ATOM 1083 O ASN A 70 92.907 6.951 1.555 1.00 0.00 O ATOM 1084 CB ASN A 70 93.524 8.997 -0.111 1.00 0.00 C ATOM 1085 CG ASN A 70 92.600 9.621 0.931 1.00 0.00 C ATOM 1086 OD1 ASN A 70 91.783 10.482 0.601 1.00 0.00 O ATOM 1087 ND2 ASN A 70 92.680 9.238 2.176 1.00 0.00 N ATOM 0 H ASN A 70 90.775 7.737 -0.806 1.00 0.00 H new ATOM 0 HA ASN A 70 93.516 7.348 -1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 70 94.477 8.733 0.348 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.739 9.720 -0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 70 92.066 9.652 2.877 1.00 0.00 H new ATOM 0 HD22 ASN A 70 93.357 8.525 2.448 1.00 0.00 H new ATOM 1094 N PRO A 71 92.294 5.514 -0.020 1.00 0.00 N ATOM 1095 CA PRO A 71 92.066 4.377 0.921 1.00 0.00 C ATOM 1096 C PRO A 71 93.217 4.184 1.908 1.00 0.00 C ATOM 1097 O PRO A 71 92.997 3.858 3.076 1.00 0.00 O ATOM 1098 CB PRO A 71 91.940 3.164 -0.007 1.00 0.00 C ATOM 1099 CG PRO A 71 91.469 3.712 -1.315 1.00 0.00 C ATOM 1100 CD PRO A 71 92.018 5.136 -1.416 1.00 0.00 C ATOM 0 HA PRO A 71 91.190 4.543 1.548 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.896 2.652 -0.117 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.233 2.436 0.391 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.826 3.099 -2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.380 3.712 -1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 71 92.921 5.173 -2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.296 5.810 -1.876 1.00 0.00 H new ATOM 1108 N LYS A 72 94.442 4.363 1.427 1.00 0.00 N ATOM 1109 CA LYS A 72 95.619 4.181 2.270 1.00 0.00 C ATOM 1110 C LYS A 72 95.843 5.370 3.202 1.00 0.00 C ATOM 1111 O LYS A 72 96.086 5.192 4.396 1.00 0.00 O ATOM 1112 CB LYS A 72 96.857 3.995 1.391 1.00 0.00 C ATOM 1113 CG LYS A 72 98.072 3.640 2.269 1.00 0.00 C ATOM 1114 CD LYS A 72 98.598 2.247 1.903 1.00 0.00 C ATOM 1115 CE LYS A 72 97.630 1.177 2.420 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.470 1.324 3.894 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.646 4.632 0.465 1.00 0.00 H new ATOM 0 HA LYS A 72 95.450 3.296 2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.681 3.205 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.056 4.908 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 72 98.859 4.382 2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 72 97.790 3.666 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.706 2.161 0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.587 2.096 2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 72 96.663 1.277 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.008 0.183 2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.124 0.430 4.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.388 1.564 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 96.786 2.081 4.095 1.00 0.00 H new ATOM 1130 N LYS A 73 95.785 6.577 2.653 1.00 0.00 N ATOM 1131 CA LYS A 73 96.010 7.775 3.456 1.00 0.00 C ATOM 1132 C LYS A 73 94.925 7.949 4.518 1.00 0.00 C ATOM 1133 O LYS A 73 95.109 8.691 5.483 1.00 0.00 O ATOM 1134 CB LYS A 73 96.056 9.013 2.552 1.00 0.00 C ATOM 1135 CG LYS A 73 96.977 10.071 3.169 1.00 0.00 C ATOM 1136 CD LYS A 73 96.725 11.431 2.503 1.00 0.00 C ATOM 1137 CE LYS A 73 95.597 12.165 3.232 1.00 0.00 C ATOM 1138 NZ LYS A 73 95.383 13.498 2.601 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.587 6.753 1.668 1.00 0.00 H new ATOM 0 HA LYS A 73 96.967 7.660 3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.416 8.738 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.053 9.420 2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.797 10.142 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 73 98.019 9.780 3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.635 12.031 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.461 11.290 1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.679 11.579 3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 73 95.848 12.286 4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 94.617 13.997 3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 96.258 14.057 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 95.125 13.372 1.601 1.00 0.00 H new ATOM 1152 N TYR A 74 93.796 7.269 4.340 1.00 0.00 N ATOM 1153 CA TYR A 74 92.704 7.376 5.302 1.00 0.00 C ATOM 1154 C TYR A 74 93.021 6.574 6.561 1.00 0.00 C ATOM 1155 O TYR A 74 93.047 7.118 7.665 1.00 0.00 O ATOM 1156 CB TYR A 74 91.397 6.874 4.673 1.00 0.00 C ATOM 1157 CG TYR A 74 90.227 7.649 5.238 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.136 9.031 5.027 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.235 6.988 5.976 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.056 9.750 5.551 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.156 7.709 6.499 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.066 9.089 6.287 1.00 0.00 C ATOM 1163 OH TYR A 74 87.002 9.799 6.805 1.00 0.00 O ATOM 0 H TYR A 74 93.614 6.648 3.552 1.00 0.00 H new ATOM 0 HA TYR A 74 92.586 8.424 5.578 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.435 6.992 3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.271 5.810 4.873 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.900 9.542 4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.304 5.923 6.141 1.00 0.00 H new ATOM 0 HE1 TYR A 74 88.986 10.815 5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.392 7.200 7.067 1.00 0.00 H new ATOM 0 HH TYR A 74 86.406 9.189 7.288 1.00 0.00 H new ATOM 1173 N ILE A 75 93.275 5.281 6.385 1.00 0.00 N ATOM 1174 CA ILE A 75 93.606 4.408 7.510 1.00 0.00 C ATOM 1175 C ILE A 75 94.906 3.660 7.224 1.00 0.00 C ATOM 1176 O ILE A 75 94.898 2.459 6.956 1.00 0.00 O ATOM 1177 CB ILE A 75 92.472 3.406 7.750 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.161 4.166 7.983 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.790 2.553 8.983 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.974 3.224 7.768 1.00 0.00 C ATOM 0 H ILE A 75 93.259 4.814 5.478 1.00 0.00 H new ATOM 0 HA ILE A 75 93.735 5.019 8.404 1.00 0.00 H new ATOM 0 HB ILE A 75 92.371 2.760 6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.138 4.570 8.995 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.094 5.013 7.300 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.982 1.841 9.151 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.722 2.012 8.820 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.893 3.198 9.855 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.044 3.767 7.934 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.993 2.841 6.748 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.038 2.392 8.469 1.00 0.00 H new ATOM 1192 N PRO A 76 96.016 4.354 7.265 1.00 0.00 N ATOM 1193 CA PRO A 76 97.353 3.754 6.997 1.00 0.00 C ATOM 1194 C PRO A 76 97.514 2.383 7.646 1.00 0.00 C ATOM 1195 O PRO A 76 97.291 2.223 8.845 1.00 0.00 O ATOM 1196 CB PRO A 76 98.321 4.771 7.600 1.00 0.00 C ATOM 1197 CG PRO A 76 97.620 6.086 7.479 1.00 0.00 C ATOM 1198 CD PRO A 76 96.119 5.792 7.576 1.00 0.00 C ATOM 0 HA PRO A 76 97.521 3.574 5.935 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.544 4.536 8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.271 4.778 7.065 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.934 6.767 8.271 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.860 6.567 6.531 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.732 6.014 8.571 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.548 6.395 6.870 1.00 0.00 H new ATOM 1206 N GLY A 77 97.900 1.397 6.841 1.00 0.00 N ATOM 1207 CA GLY A 77 98.087 0.036 7.335 1.00 0.00 C ATOM 1208 C GLY A 77 97.121 -0.923 6.650 1.00 0.00 C ATOM 1209 O GLY A 77 97.427 -2.099 6.462 1.00 0.00 O ATOM 0 H GLY A 77 98.089 1.514 5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.113 -0.284 7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 77 97.929 0.010 8.413 1.00 0.00 H new ATOM 1213 N THR A 78 95.954 -0.409 6.274 1.00 0.00 N ATOM 1214 CA THR A 78 94.950 -1.228 5.606 1.00 0.00 C ATOM 1215 C THR A 78 95.542 -1.882 4.364 1.00 0.00 C ATOM 1216 O THR A 78 96.351 -1.275 3.659 1.00 0.00 O ATOM 1217 CB THR A 78 93.754 -0.364 5.211 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.699 -1.198 4.753 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.168 0.597 4.100 1.00 0.00 C ATOM 0 H THR A 78 95.682 0.563 6.419 1.00 0.00 H new ATOM 0 HA THR A 78 94.621 -2.008 6.293 1.00 0.00 H new ATOM 0 HB THR A 78 93.414 0.207 6.075 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.673 -2.017 5.290 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.316 1.215 3.817 1.00 0.00 H new ATOM 0 HG22 THR A 78 94.977 1.236 4.454 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.507 0.028 3.234 1.00 0.00 H new ATOM 1227 N LYS A 79 95.145 -3.122 4.101 1.00 0.00 N ATOM 1228 CA LYS A 79 95.656 -3.842 2.939 1.00 0.00 C ATOM 1229 C LYS A 79 94.782 -3.591 1.712 1.00 0.00 C ATOM 1230 O LYS A 79 93.816 -4.310 1.463 1.00 0.00 O ATOM 1231 CB LYS A 79 95.713 -5.346 3.241 1.00 0.00 C ATOM 1232 CG LYS A 79 96.824 -6.001 2.414 1.00 0.00 C ATOM 1233 CD LYS A 79 96.608 -5.705 0.929 1.00 0.00 C ATOM 1234 CE LYS A 79 97.458 -6.660 0.088 1.00 0.00 C ATOM 1235 NZ LYS A 79 97.417 -6.237 -1.341 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.479 -3.645 4.669 1.00 0.00 H new ATOM 0 HA LYS A 79 96.660 -3.477 2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.896 -5.506 4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.754 -5.809 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.796 -5.624 2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.829 -7.078 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 79 95.554 -5.819 0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 79 96.879 -4.672 0.710 1.00 0.00 H new ATOM 0 HE2 LYS A 79 98.487 -6.661 0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 79 97.084 -7.679 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 97.995 -6.886 -1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 96.434 -6.258 -1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 97.793 -5.271 -1.428 1.00 0.00 H new ATOM 1249 N MET A 80 95.142 -2.569 0.940 1.00 0.00 N ATOM 1250 CA MET A 80 94.400 -2.230 -0.271 1.00 0.00 C ATOM 1251 C MET A 80 95.125 -1.133 -1.042 1.00 0.00 C ATOM 1252 O MET A 80 94.960 0.054 -0.755 1.00 0.00 O ATOM 1253 CB MET A 80 92.984 -1.759 0.076 1.00 0.00 C ATOM 1254 CG MET A 80 92.272 -1.309 -1.206 1.00 0.00 C ATOM 1255 SD MET A 80 90.507 -1.064 -0.879 1.00 0.00 S ATOM 1256 CE MET A 80 90.209 0.180 -2.159 1.00 0.00 C ATOM 0 H MET A 80 95.940 -1.963 1.130 1.00 0.00 H new ATOM 0 HA MET A 80 94.333 -3.125 -0.890 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.426 -2.566 0.552 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.026 -0.937 0.790 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.715 -0.383 -1.572 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.405 -2.057 -1.988 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.191 0.558 -2.069 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.914 1.003 -2.038 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.343 -0.271 -3.142 1.00 0.00 H new ATOM 1266 N ILE A 81 95.924 -1.538 -2.024 1.00 0.00 N ATOM 1267 CA ILE A 81 96.673 -0.585 -2.840 1.00 0.00 C ATOM 1268 C ILE A 81 96.072 -0.507 -4.240 1.00 0.00 C ATOM 1269 O ILE A 81 96.265 -1.407 -5.059 1.00 0.00 O ATOM 1270 CB ILE A 81 98.143 -1.015 -2.926 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.864 -0.649 -1.623 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.827 -0.300 -4.096 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.238 -1.405 -0.445 1.00 0.00 C ATOM 0 H ILE A 81 96.070 -2.516 -2.275 1.00 0.00 H new ATOM 0 HA ILE A 81 96.615 0.400 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 81 98.189 -2.093 -3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.923 -0.896 -1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 81 98.799 0.425 -1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.871 -0.610 -4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.322 -0.559 -5.026 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.776 0.778 -3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.757 -1.138 0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.185 -1.137 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.326 -2.478 -0.613 1.00 0.00 H new ATOM 1285 N PHE A 82 95.345 0.572 -4.509 1.00 0.00 N ATOM 1286 CA PHE A 82 94.722 0.758 -5.816 1.00 0.00 C ATOM 1287 C PHE A 82 94.575 2.243 -6.130 1.00 0.00 C ATOM 1288 O PHE A 82 94.677 3.088 -5.241 1.00 0.00 O ATOM 1289 CB PHE A 82 93.345 0.087 -5.837 1.00 0.00 C ATOM 1290 CG PHE A 82 92.914 -0.143 -7.267 1.00 0.00 C ATOM 1291 CD1 PHE A 82 92.245 0.868 -7.968 1.00 0.00 C ATOM 1292 CD2 PHE A 82 93.183 -1.367 -7.890 1.00 0.00 C ATOM 1293 CE1 PHE A 82 91.846 0.654 -9.293 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.784 -1.581 -9.215 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.115 -0.570 -9.916 1.00 0.00 C ATOM 0 H PHE A 82 95.173 1.327 -3.845 1.00 0.00 H new ATOM 0 HA PHE A 82 95.359 0.300 -6.573 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.383 -0.861 -5.301 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.616 0.714 -5.323 1.00 0.00 H new ATOM 0 HD1 PHE A 82 92.037 1.812 -7.487 1.00 0.00 H new ATOM 0 HD2 PHE A 82 93.698 -2.147 -7.349 1.00 0.00 H new ATOM 0 HE1 PHE A 82 91.331 1.434 -9.834 1.00 0.00 H new ATOM 0 HE2 PHE A 82 92.992 -2.525 -9.696 1.00 0.00 H new ATOM 0 HZ PHE A 82 91.807 -0.735 -10.938 1.00 0.00 H new ATOM 1305 N ALA A 83 94.336 2.554 -7.399 1.00 0.00 N ATOM 1306 CA ALA A 83 94.181 3.942 -7.817 1.00 0.00 C ATOM 1307 C ALA A 83 92.898 4.539 -7.245 1.00 0.00 C ATOM 1308 O ALA A 83 91.796 4.146 -7.626 1.00 0.00 O ATOM 1309 CB ALA A 83 94.145 4.026 -9.345 1.00 0.00 C ATOM 0 H ALA A 83 94.246 1.870 -8.150 1.00 0.00 H new ATOM 0 HA ALA A 83 95.031 4.510 -7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 83 94.029 5.066 -9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 83 95.075 3.630 -9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 83 93.305 3.442 -9.722 1.00 0.00 H new ATOM 1315 N GLY A 84 93.052 5.492 -6.332 1.00 0.00 N ATOM 1316 CA GLY A 84 91.898 6.139 -5.718 1.00 0.00 C ATOM 1317 C GLY A 84 91.007 6.773 -6.780 1.00 0.00 C ATOM 1318 O GLY A 84 91.292 6.684 -7.974 1.00 0.00 O ATOM 0 H GLY A 84 93.956 5.831 -6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.327 5.408 -5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.234 6.902 -5.015 1.00 0.00 H new ATOM 1322 N ILE A 85 89.931 7.416 -6.341 1.00 0.00 N ATOM 1323 CA ILE A 85 89.008 8.064 -7.270 1.00 0.00 C ATOM 1324 C ILE A 85 89.459 9.496 -7.548 1.00 0.00 C ATOM 1325 O ILE A 85 90.240 10.067 -6.786 1.00 0.00 O ATOM 1326 CB ILE A 85 87.596 8.064 -6.679 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.073 6.618 -6.588 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.668 8.896 -7.565 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.384 6.217 -7.898 1.00 0.00 C ATOM 0 H ILE A 85 89.676 7.503 -5.357 1.00 0.00 H new ATOM 0 HA ILE A 85 89.003 7.511 -8.209 1.00 0.00 H new ATOM 0 HB ILE A 85 87.622 8.499 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.899 5.938 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.371 6.529 -5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.663 8.894 -7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.038 9.920 -7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.641 8.467 -8.567 1.00 0.00 H new ATOM 0 HD11 ILE A 85 86.020 5.193 -7.819 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.545 6.887 -8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.097 6.286 -8.720 1.00 0.00 H new ATOM 1341 N LYS A 86 88.981 10.068 -8.652 1.00 0.00 N ATOM 1342 CA LYS A 86 89.363 11.430 -9.026 1.00 0.00 C ATOM 1343 C LYS A 86 88.268 12.442 -8.688 1.00 0.00 C ATOM 1344 O LYS A 86 88.436 13.268 -7.791 1.00 0.00 O ATOM 1345 CB LYS A 86 89.662 11.488 -10.526 1.00 0.00 C ATOM 1346 CG LYS A 86 90.814 10.535 -10.856 1.00 0.00 C ATOM 1347 CD LYS A 86 91.363 10.848 -12.255 1.00 0.00 C ATOM 1348 CE LYS A 86 92.454 11.919 -12.156 1.00 0.00 C ATOM 1349 NZ LYS A 86 93.714 11.300 -11.656 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.335 9.615 -9.298 1.00 0.00 H new ATOM 0 HA LYS A 86 90.253 11.693 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.774 11.213 -11.095 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.924 12.506 -10.816 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.606 10.636 -10.114 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.467 9.502 -10.814 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.769 9.943 -12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 86 90.558 11.195 -12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.622 12.373 -13.132 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.136 12.716 -11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 94.517 11.925 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 93.649 11.162 -10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 93.857 10.380 -12.120 1.00 0.00 H new ATOM 1363 N LYS A 87 87.157 12.389 -9.419 1.00 0.00 N ATOM 1364 CA LYS A 87 86.060 13.329 -9.190 1.00 0.00 C ATOM 1365 C LYS A 87 85.214 12.916 -7.990 1.00 0.00 C ATOM 1366 O LYS A 87 85.244 11.763 -7.557 1.00 0.00 O ATOM 1367 CB LYS A 87 85.172 13.409 -10.434 1.00 0.00 C ATOM 1368 CG LYS A 87 85.996 13.895 -11.631 1.00 0.00 C ATOM 1369 CD LYS A 87 86.315 15.388 -11.478 1.00 0.00 C ATOM 1370 CE LYS A 87 86.640 15.986 -12.849 1.00 0.00 C ATOM 1371 NZ LYS A 87 87.408 14.994 -13.653 1.00 0.00 N1+ ATOM 0 H LYS A 87 86.992 11.715 -10.166 1.00 0.00 H new ATOM 0 HA LYS A 87 86.497 14.306 -8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.744 12.430 -10.649 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.339 14.089 -10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.921 13.323 -11.702 1.00 0.00 H new ATOM 0 HG3 LYS A 87 85.444 13.726 -12.556 1.00 0.00 H new ATOM 0 HD2 LYS A 87 85.466 15.908 -11.035 1.00 0.00 H new ATOM 0 HD3 LYS A 87 87.159 15.523 -10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 87 85.720 16.256 -13.367 1.00 0.00 H new ATOM 0 HE3 LYS A 87 87.220 16.901 -12.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 87.914 15.484 -14.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 88.094 14.507 -13.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 86.753 14.297 -14.062 1.00 0.00 H new ATOM 1385 N LYS A 88 84.452 13.869 -7.459 1.00 0.00 N ATOM 1386 CA LYS A 88 83.594 13.595 -6.314 1.00 0.00 C ATOM 1387 C LYS A 88 82.422 12.720 -6.732 1.00 0.00 C ATOM 1388 O LYS A 88 82.096 11.747 -6.057 1.00 0.00 O ATOM 1389 CB LYS A 88 83.069 14.903 -5.716 1.00 0.00 C ATOM 1390 CG LYS A 88 82.420 14.617 -4.357 1.00 0.00 C ATOM 1391 CD LYS A 88 81.664 15.861 -3.870 1.00 0.00 C ATOM 1392 CE LYS A 88 80.226 15.831 -4.396 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.633 17.195 -4.297 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.412 14.829 -7.801 1.00 0.00 H new ATOM 0 HA LYS A 88 84.183 13.070 -5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.885 15.616 -5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.343 15.358 -6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.735 13.774 -4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.183 14.336 -3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.662 15.894 -2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.169 16.763 -4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.213 15.491 -5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.631 15.122 -3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.656 17.176 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.632 17.502 -3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.196 17.860 -4.865 1.00 0.00 H new ATOM 1407 N THR A 89 81.790 13.068 -7.850 1.00 0.00 N ATOM 1408 CA THR A 89 80.656 12.294 -8.336 1.00 0.00 C ATOM 1409 C THR A 89 81.063 10.845 -8.565 1.00 0.00 C ATOM 1410 O THR A 89 80.234 9.940 -8.496 1.00 0.00 O ATOM 1411 CB THR A 89 80.122 12.884 -9.640 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.178 12.983 -10.584 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.537 14.272 -9.373 1.00 0.00 C ATOM 0 H THR A 89 82.041 13.870 -8.428 1.00 0.00 H new ATOM 0 HA THR A 89 79.871 12.332 -7.581 1.00 0.00 H new ATOM 0 HB THR A 89 79.342 12.236 -10.039 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.834 13.360 -11.421 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.156 14.692 -10.304 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.723 14.191 -8.652 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.314 14.923 -8.972 1.00 0.00 H new ATOM 1421 N GLU A 90 82.347 10.627 -8.825 1.00 0.00 N ATOM 1422 CA GLU A 90 82.840 9.274 -9.041 1.00 0.00 C ATOM 1423 C GLU A 90 82.763 8.505 -7.729 1.00 0.00 C ATOM 1424 O GLU A 90 82.445 7.317 -7.707 1.00 0.00 O ATOM 1425 CB GLU A 90 84.287 9.304 -9.544 1.00 0.00 C ATOM 1426 CG GLU A 90 84.312 9.675 -11.028 1.00 0.00 C ATOM 1427 CD GLU A 90 85.714 10.120 -11.432 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.660 9.684 -10.797 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.821 10.892 -12.371 1.00 0.00 O ATOM 0 H GLU A 90 83.055 11.358 -8.891 1.00 0.00 H new ATOM 0 HA GLU A 90 82.225 8.783 -9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.867 10.026 -8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.754 8.330 -9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 90 84.006 8.820 -11.630 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.597 10.475 -11.223 1.00 0.00 H new ATOM 1436 N ARG A 91 83.037 9.209 -6.635 1.00 0.00 N ATOM 1437 CA ARG A 91 82.979 8.604 -5.311 1.00 0.00 C ATOM 1438 C ARG A 91 81.529 8.468 -4.868 1.00 0.00 C ATOM 1439 O ARG A 91 81.096 7.398 -4.447 1.00 0.00 O ATOM 1440 CB ARG A 91 83.731 9.471 -4.298 1.00 0.00 C ATOM 1441 CG ARG A 91 85.224 9.484 -4.629 1.00 0.00 C ATOM 1442 CD ARG A 91 86.002 10.205 -3.519 1.00 0.00 C ATOM 1443 NE ARG A 91 86.303 11.574 -3.923 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.769 12.461 -3.050 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.962 12.116 -1.806 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.034 13.679 -3.437 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.300 10.194 -6.640 1.00 0.00 H new ATOM 0 HA ARG A 91 83.444 7.619 -5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.338 10.487 -4.314 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.577 9.085 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.590 8.463 -4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.389 9.984 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.417 10.210 -2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.927 9.669 -3.306 1.00 0.00 H new ATOM 0 HE ARG A 91 86.153 11.855 -4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.755 11.164 -1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.320 12.798 -1.137 1.00 0.00 H new ATOM 0 HH21 ARG A 91 86.883 13.949 -4.409 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.392 14.360 -2.768 1.00 0.00 H new ATOM 1460 N GLU A 92 80.781 9.564 -4.968 1.00 0.00 N ATOM 1461 CA GLU A 92 79.378 9.559 -4.575 1.00 0.00 C ATOM 1462 C GLU A 92 78.622 8.491 -5.359 1.00 0.00 C ATOM 1463 O GLU A 92 77.959 7.633 -4.777 1.00 0.00 O ATOM 1464 CB GLU A 92 78.757 10.936 -4.833 1.00 0.00 C ATOM 1465 CG GLU A 92 77.598 11.174 -3.860 1.00 0.00 C ATOM 1466 CD GLU A 92 76.620 10.007 -3.916 1.00 0.00 C ATOM 1467 OE1 GLU A 92 75.712 10.060 -4.729 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 76.792 9.077 -3.145 1.00 0.00 O ATOM 0 H GLU A 92 81.122 10.460 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 92 79.309 9.333 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.511 11.714 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.399 10.997 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 92 77.982 11.289 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.085 12.101 -4.114 1.00 0.00 H new ATOM 1475 N ASP A 93 78.736 8.544 -6.683 1.00 0.00 N ATOM 1476 CA ASP A 93 78.070 7.564 -7.531 1.00 0.00 C ATOM 1477 C ASP A 93 78.526 6.159 -7.155 1.00 0.00 C ATOM 1478 O ASP A 93 77.709 5.276 -6.896 1.00 0.00 O ATOM 1479 CB ASP A 93 78.396 7.836 -9.001 1.00 0.00 C ATOM 1480 CG ASP A 93 77.882 9.214 -9.401 1.00 0.00 C ATOM 1481 OD1 ASP A 93 76.878 9.633 -8.849 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.499 9.830 -10.254 1.00 0.00 O1- ATOM 0 H ASP A 93 79.277 9.247 -7.186 1.00 0.00 H new ATOM 0 HA ASP A 93 76.993 7.643 -7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.473 7.780 -9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.941 7.072 -9.631 1.00 0.00 H new ATOM 1487 N LEU A 94 79.841 5.966 -7.116 1.00 0.00 N ATOM 1488 CA LEU A 94 80.407 4.671 -6.758 1.00 0.00 C ATOM 1489 C LEU A 94 79.877 4.223 -5.407 1.00 0.00 C ATOM 1490 O LEU A 94 79.653 3.036 -5.174 1.00 0.00 O ATOM 1491 CB LEU A 94 81.934 4.772 -6.684 1.00 0.00 C ATOM 1492 CG LEU A 94 82.527 3.455 -6.177 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.035 2.304 -7.052 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.059 3.525 -6.231 1.00 0.00 C ATOM 0 H LEU A 94 80.531 6.687 -7.327 1.00 0.00 H new ATOM 0 HA LEU A 94 80.121 3.946 -7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.338 5.006 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.220 5.588 -6.020 1.00 0.00 H new ATOM 0 HG LEU A 94 82.210 3.288 -5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.457 1.366 -6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.947 2.253 -7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.349 2.470 -8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.479 2.586 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.379 3.694 -7.259 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.408 4.344 -5.603 1.00 0.00 H new ATOM 1506 N ILE A 95 79.695 5.185 -4.512 1.00 0.00 N ATOM 1507 CA ILE A 95 79.211 4.884 -3.177 1.00 0.00 C ATOM 1508 C ILE A 95 77.715 4.620 -3.193 1.00 0.00 C ATOM 1509 O ILE A 95 77.199 3.861 -2.372 1.00 0.00 O ATOM 1510 CB ILE A 95 79.555 6.035 -2.226 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.053 5.955 -1.908 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.733 5.913 -0.935 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.586 7.322 -1.487 1.00 0.00 C ATOM 0 H ILE A 95 79.875 6.174 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 95 79.703 3.979 -2.820 1.00 0.00 H new ATOM 0 HB ILE A 95 79.320 6.993 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.223 5.231 -1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.598 5.600 -2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.984 6.735 -0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.670 5.952 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.960 4.965 -0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.650 7.245 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.434 8.037 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.054 7.662 -0.598 1.00 0.00 H new ATOM 1525 N ALA A 96 77.023 5.233 -4.142 1.00 0.00 N ATOM 1526 CA ALA A 96 75.590 5.033 -4.261 1.00 0.00 C ATOM 1527 C ALA A 96 75.308 3.574 -4.600 1.00 0.00 C ATOM 1528 O ALA A 96 74.329 2.989 -4.133 1.00 0.00 O ATOM 1529 CB ALA A 96 75.026 5.943 -5.350 1.00 0.00 C ATOM 0 H ALA A 96 77.427 5.866 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 96 75.110 5.281 -3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.950 5.787 -5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.223 6.984 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.501 5.709 -6.302 1.00 0.00 H new ATOM 1535 N TYR A 97 76.191 2.984 -5.404 1.00 0.00 N ATOM 1536 CA TYR A 97 76.041 1.587 -5.784 1.00 0.00 C ATOM 1537 C TYR A 97 76.465 0.689 -4.626 1.00 0.00 C ATOM 1538 O TYR A 97 75.777 -0.272 -4.293 1.00 0.00 O ATOM 1539 CB TYR A 97 76.889 1.271 -7.020 1.00 0.00 C ATOM 1540 CG TYR A 97 76.960 -0.228 -7.215 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.918 -0.904 -7.861 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.066 -0.943 -6.741 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.980 -2.291 -8.032 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.130 -2.332 -6.914 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.087 -3.005 -7.560 1.00 0.00 C ATOM 1546 OH TYR A 97 77.149 -4.373 -7.729 1.00 0.00 O ATOM 0 H TYR A 97 77.008 3.449 -5.800 1.00 0.00 H new ATOM 0 HA TYR A 97 74.994 1.402 -6.023 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.455 1.743 -7.902 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.892 1.681 -6.900 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.064 -0.353 -8.228 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.871 -0.424 -6.242 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.174 -2.811 -8.528 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.984 -2.883 -6.549 1.00 0.00 H new ATOM 0 HH TYR A 97 78.070 -4.635 -7.937 1.00 0.00 H new ATOM 1556 N LEU A 98 77.603 1.013 -4.014 1.00 0.00 N ATOM 1557 CA LEU A 98 78.101 0.230 -2.891 1.00 0.00 C ATOM 1558 C LEU A 98 77.035 0.144 -1.799 1.00 0.00 C ATOM 1559 O LEU A 98 77.049 -0.767 -0.974 1.00 0.00 O ATOM 1560 CB LEU A 98 79.373 0.875 -2.323 1.00 0.00 C ATOM 1561 CG LEU A 98 80.584 0.511 -3.200 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.688 1.560 -3.045 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.138 -0.850 -2.773 1.00 0.00 C ATOM 0 H LEU A 98 78.191 1.805 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 98 78.336 -0.775 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.255 1.958 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.538 0.534 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 98 80.260 0.476 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.538 1.289 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.309 2.535 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 98 82.005 1.604 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.995 -1.105 -3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.448 -0.805 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.366 -1.610 -2.890 1.00 0.00 H new ATOM 1575 N LYS A 99 76.112 1.104 -1.799 1.00 0.00 N ATOM 1576 CA LYS A 99 75.044 1.126 -0.803 1.00 0.00 C ATOM 1577 C LYS A 99 73.935 0.148 -1.179 1.00 0.00 C ATOM 1578 O LYS A 99 73.534 -0.691 -0.372 1.00 0.00 O ATOM 1579 CB LYS A 99 74.460 2.539 -0.689 1.00 0.00 C ATOM 1580 CG LYS A 99 75.365 3.398 0.198 1.00 0.00 C ATOM 1581 CD LYS A 99 74.789 4.815 0.305 1.00 0.00 C ATOM 1582 CE LYS A 99 73.416 4.771 0.985 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.157 6.072 1.664 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.082 1.870 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 99 75.467 0.828 0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.371 2.988 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.456 2.496 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.447 2.953 1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.371 3.435 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 99 75.467 5.450 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.699 5.256 -0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 99 72.639 4.573 0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.383 3.957 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 72.226 6.043 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.893 6.243 2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 73.172 6.839 0.962 1.00 0.00 H new ATOM 1597 N LYS A 100 73.441 0.263 -2.407 1.00 0.00 N ATOM 1598 CA LYS A 100 72.374 -0.614 -2.875 1.00 0.00 C ATOM 1599 C LYS A 100 72.914 -2.011 -3.165 1.00 0.00 C ATOM 1600 O LYS A 100 72.153 -2.975 -3.260 1.00 0.00 O ATOM 1601 CB LYS A 100 71.742 -0.037 -4.143 1.00 0.00 C ATOM 1602 CG LYS A 100 71.141 1.335 -3.834 1.00 0.00 C ATOM 1603 CD LYS A 100 70.188 1.740 -4.960 1.00 0.00 C ATOM 1604 CE LYS A 100 69.612 3.126 -4.670 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.436 3.369 -5.552 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.759 0.949 -3.091 1.00 0.00 H new ATOM 0 HA LYS A 100 71.619 -0.685 -2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.493 0.051 -4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 100 70.969 -0.709 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.607 1.304 -2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.934 2.076 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 100 70.717 1.747 -5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 100 69.382 1.011 -5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 100 69.316 3.197 -3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 100 70.371 3.890 -4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 68.043 4.312 -5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 68.732 3.318 -6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 67.710 2.647 -5.370 1.00 0.00 H new ATOM 1619 N ALA A 101 74.231 -2.111 -3.306 1.00 0.00 N ATOM 1620 CA ALA A 101 74.869 -3.392 -3.585 1.00 0.00 C ATOM 1621 C ALA A 101 75.153 -4.144 -2.290 1.00 0.00 C ATOM 1622 O ALA A 101 75.120 -5.373 -2.255 1.00 0.00 O ATOM 1623 CB ALA A 101 76.179 -3.167 -4.342 1.00 0.00 C ATOM 0 H ALA A 101 74.875 -1.324 -3.232 1.00 0.00 H new ATOM 0 HA ALA A 101 74.191 -3.988 -4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.650 -4.128 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.973 -2.656 -5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.849 -2.556 -3.737 1.00 0.00 H new ATOM 1629 N THR A 102 75.434 -3.394 -1.228 1.00 0.00 N ATOM 1630 CA THR A 102 75.724 -4.002 0.067 1.00 0.00 C ATOM 1631 C THR A 102 74.447 -4.141 0.883 1.00 0.00 C ATOM 1632 O THR A 102 74.452 -4.704 1.978 1.00 0.00 O ATOM 1633 CB THR A 102 76.729 -3.142 0.833 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.223 -1.820 0.957 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.053 -3.117 0.072 1.00 0.00 C ATOM 0 H THR A 102 75.467 -2.375 -1.237 1.00 0.00 H new ATOM 0 HA THR A 102 76.148 -4.992 -0.100 1.00 0.00 H new ATOM 0 HB THR A 102 76.889 -3.560 1.827 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.229 -1.384 0.080 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.773 -2.505 0.615 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.438 -4.132 -0.022 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.894 -2.696 -0.921 1.00 0.00 H new ATOM 1643 N ASN A 103 73.356 -3.620 0.337 1.00 0.00 N ATOM 1644 CA ASN A 103 72.066 -3.680 1.010 1.00 0.00 C ATOM 1645 C ASN A 103 71.262 -4.877 0.511 1.00 0.00 C ATOM 1646 O ASN A 103 70.380 -5.380 1.207 1.00 0.00 O ATOM 1647 CB ASN A 103 71.289 -2.392 0.742 1.00 0.00 C ATOM 1648 CG ASN A 103 71.825 -1.267 1.618 1.00 0.00 C ATOM 1649 OD1 ASN A 103 71.093 -0.333 1.950 1.00 0.00 O ATOM 1650 ND2 ASN A 103 73.065 -1.301 2.014 1.00 0.00 N ATOM 0 H ASN A 103 73.339 -3.152 -0.569 1.00 0.00 H new ATOM 0 HA ASN A 103 72.232 -3.791 2.082 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.375 -2.118 -0.309 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.229 -2.548 0.945 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.434 -0.553 2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.668 -2.076 1.737 1.00 0.00 H new ATOM 1657 N GLU A 104 71.574 -5.325 -0.701 1.00 0.00 N ATOM 1658 CA GLU A 104 70.875 -6.464 -1.288 1.00 0.00 C ATOM 1659 C GLU A 104 71.767 -7.178 -2.297 1.00 0.00 C ATOM 1660 O GLU A 104 71.322 -7.378 -3.415 1.00 0.00 O ATOM 1661 CB GLU A 104 69.597 -5.990 -1.981 1.00 0.00 C ATOM 1662 CG GLU A 104 69.925 -4.830 -2.923 1.00 0.00 C ATOM 1663 CD GLU A 104 68.741 -4.554 -3.842 1.00 0.00 C ATOM 1664 OE1 GLU A 104 67.634 -4.912 -3.473 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 68.957 -3.987 -4.901 1.00 0.00 O ATOM 1666 OXT GLU A 104 72.882 -7.517 -1.936 1.00 0.00 O ATOM 0 H GLU A 104 72.300 -4.921 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 104 70.619 -7.161 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.149 -6.811 -2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 104 68.865 -5.673 -1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.163 -3.937 -2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.808 -5.070 -3.516 1.00 0.00 H new TER 1673 GLU A 104 HETATM 1674 FE HEC A 201 88.940 -2.730 -1.129 1.00 0.00 FE HETATM 1675 CHA HEC A 201 89.166 -3.311 2.195 1.00 0.00 C HETATM 1676 CHB HEC A 201 86.384 -0.582 -0.579 1.00 0.00 C HETATM 1677 CHC HEC A 201 88.820 -2.029 -4.436 1.00 0.00 C HETATM 1678 CHD HEC A 201 91.342 -5.043 -1.702 1.00 0.00 C HETATM 1679 NA HEC A 201 87.996 -2.077 0.457 1.00 0.00 N HETATM 1680 C1A HEC A 201 88.230 -2.400 1.775 1.00 0.00 C HETATM 1681 C2A HEC A 201 87.333 -1.699 2.659 1.00 0.00 C HETATM 1682 C3A HEC A 201 86.524 -0.949 1.871 1.00 0.00 C HETATM 1683 C4A HEC A 201 86.945 -1.188 0.514 1.00 0.00 C HETATM 1684 CMA HEC A 201 85.413 -0.056 2.316 1.00 0.00 C HETATM 1685 CAA HEC A 201 87.318 -1.771 4.148 1.00 0.00 C HETATM 1686 CBA HEC A 201 86.644 -3.038 4.668 1.00 0.00 C HETATM 1687 CGA HEC A 201 86.435 -2.936 6.170 1.00 0.00 C HETATM 1688 O1A HEC A 201 85.655 -3.717 6.691 1.00 0.00 O HETATM 1689 O2A HEC A 201 87.060 -2.087 6.777 1.00 0.00 O HETATM 1690 NB HEC A 201 87.853 -1.553 -2.256 1.00 0.00 N HETATM 1691 C1B HEC A 201 86.799 -0.751 -1.874 1.00 0.00 C HETATM 1692 C2B HEC A 201 86.203 -0.082 -3.000 1.00 0.00 C HETATM 1693 C3B HEC A 201 86.916 -0.456 -4.092 1.00 0.00 C HETATM 1694 C4B HEC A 201 87.932 -1.373 -3.620 1.00 0.00 C HETATM 1695 CMB HEC A 201 84.993 0.788 -2.975 1.00 0.00 C HETATM 1696 CAB HEC A 201 86.711 0.014 -5.500 1.00 0.00 C HETATM 1697 CBB HEC A 201 86.973 1.517 -5.674 1.00 0.00 C HETATM 1698 NC HEC A 201 89.883 -3.380 -2.716 1.00 0.00 N HETATM 1699 C1C HEC A 201 89.729 -2.969 -4.022 1.00 0.00 C HETATM 1700 C2C HEC A 201 90.595 -3.697 -4.914 1.00 0.00 C HETATM 1701 C3C HEC A 201 91.278 -4.581 -4.152 1.00 0.00 C HETATM 1702 C4C HEC A 201 90.842 -4.368 -2.789 1.00 0.00 C HETATM 1703 CMC HEC A 201 90.725 -3.497 -6.385 1.00 0.00 C HETATM 1704 CAC HEC A 201 92.231 -5.628 -4.639 1.00 0.00 C HETATM 1705 CBC HEC A 201 93.421 -5.046 -5.417 1.00 0.00 C HETATM 1706 ND HEC A 201 90.016 -3.914 -0.003 1.00 0.00 N HETATM 1707 C1D HEC A 201 90.966 -4.830 -0.399 1.00 0.00 C HETATM 1708 C2D HEC A 201 91.540 -5.520 0.730 1.00 0.00 C HETATM 1709 C3D HEC A 201 90.937 -5.014 1.835 1.00 0.00 C HETATM 1710 C4D HEC A 201 89.998 -4.025 1.371 1.00 0.00 C HETATM 1711 CMD HEC A 201 92.587 -6.583 0.689 1.00 0.00 C HETATM 1712 CAD HEC A 201 91.182 -5.411 3.252 1.00 0.00 C HETATM 1713 CBD HEC A 201 92.004 -4.375 4.021 1.00 0.00 C HETATM 1714 CGD HEC A 201 91.980 -4.700 5.511 1.00 0.00 C HETATM 1715 O1D HEC A 201 91.544 -5.787 5.848 1.00 0.00 O HETATM 1716 O2D HEC A 201 92.395 -3.858 6.291 1.00 0.00 O HETATM 0 HMD3 HEC A 201 92.222 -7.431 0.109 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 93.490 -6.187 0.224 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 92.814 -6.909 1.704 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 89.761 -3.671 -6.863 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 91.050 -2.476 -6.586 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 91.459 -4.197 -6.784 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 84.140 0.214 -2.613 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 85.168 1.636 -2.312 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 84.785 1.151 -3.981 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 84.667 -0.643 2.853 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 85.809 0.717 2.975 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 84.950 0.410 1.446 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 93.031 -4.369 3.657 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 91.600 -3.377 3.850 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 93.055 -4.502 -6.288 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 93.979 -4.366 -4.773 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 94.074 -5.856 -5.742 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 86.294 2.081 -5.034 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 88.003 1.741 -5.397 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 86.808 1.797 -6.714 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 85.686 -3.182 4.168 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 87.258 -3.908 4.436 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 90.226 -5.556 3.755 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 91.702 -6.369 3.272 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 88.342 -1.730 4.520 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 86.799 -0.899 4.545 1.00 0.00 H new HETATM 0 HHD HEC A 201 92.096 -5.807 -1.889 1.00 0.00 H new HETATM 0 HHC HEC A 201 88.801 -1.783 -5.498 1.00 0.00 H new HETATM 0 HHB HEC A 201 85.541 0.087 -0.405 1.00 0.00 H new HETATM 0 HHA HEC A 201 89.255 -3.481 3.268 1.00 0.00 H new HETATM 1749 O HOH A 301 80.791 3.023 -0.988 1.00 0.00 O HETATM 1752 O HOH A 302 86.161 5.511 5.985 1.00 0.00 O HETATM 1755 O HOH A 303 82.633 -6.268 5.831 1.00 0.00 O HETATM 1758 O HOH A 304 81.328 -10.426 0.059 1.00 0.00 O