USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot -20:sc= 0.96 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.832 K(o=1.8,f=0.74) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -158:sc= -0.0959 (180deg=-0.521) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0045 X(o=-0.0045,f=-0.0045) USER MOD Single : A 15 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.75) USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0106) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 31 GLN : amide:sc= -0.536 K(o=-0.54,f=-1.7) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 81:sc= 0.219 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 73:sc= 1.5 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0642) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0135) USER MOD Single : A 70 ASN : amide:sc= -0.676 K(o=-0.68,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -68.192 1.302 -14.107 1.00 0.00 N ATOM 2 CA GLY A 1 -66.824 1.108 -13.664 1.00 0.00 C ATOM 3 C GLY A 1 -66.457 -0.357 -13.537 1.00 0.00 C ATOM 4 O GLY A 1 -66.953 -1.054 -12.652 1.00 0.00 O ATOM 0 H1 GLY A 1 -68.393 2.320 -14.178 1.00 0.00 H new ATOM 0 H2 GLY A 1 -68.322 0.858 -15.038 1.00 0.00 H new ATOM 0 H3 GLY A 1 -68.843 0.867 -13.423 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -66.146 1.589 -14.369 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -66.684 1.599 -12.701 1.00 0.00 H new ATOM 8 N SER A 2 -65.588 -0.828 -14.426 1.00 0.00 N ATOM 9 CA SER A 2 -65.160 -2.221 -14.413 1.00 0.00 C ATOM 10 C SER A 2 -63.842 -2.392 -15.163 1.00 0.00 C ATOM 11 O SER A 2 -63.555 -1.660 -16.110 1.00 0.00 O ATOM 12 CB SER A 2 -66.235 -3.113 -15.037 1.00 0.00 C ATOM 13 OG SER A 2 -65.961 -4.483 -14.802 1.00 0.00 O ATOM 0 H SER A 2 -65.167 -0.264 -15.164 1.00 0.00 H new ATOM 0 HA SER A 2 -65.008 -2.519 -13.376 1.00 0.00 H new ATOM 0 HB2 SER A 2 -67.210 -2.858 -14.622 1.00 0.00 H new ATOM 0 HB3 SER A 2 -66.287 -2.928 -16.110 1.00 0.00 H new ATOM 0 HG SER A 2 -66.663 -5.032 -15.209 1.00 0.00 H new ATOM 19 N SER A 3 -63.045 -3.365 -14.733 1.00 0.00 N ATOM 20 CA SER A 3 -61.756 -3.630 -15.360 1.00 0.00 C ATOM 21 C SER A 3 -61.589 -5.119 -15.648 1.00 0.00 C ATOM 22 O SER A 3 -61.131 -5.508 -16.722 1.00 0.00 O ATOM 23 CB SER A 3 -60.618 -3.142 -14.463 1.00 0.00 C ATOM 24 OG SER A 3 -59.417 -2.987 -15.200 1.00 0.00 O ATOM 0 H SER A 3 -63.270 -3.983 -13.953 1.00 0.00 H new ATOM 0 HA SER A 3 -61.721 -3.088 -16.305 1.00 0.00 H new ATOM 0 HB2 SER A 3 -60.893 -2.191 -14.006 1.00 0.00 H new ATOM 0 HB3 SER A 3 -60.461 -3.852 -13.651 1.00 0.00 H new ATOM 0 HG SER A 3 -58.706 -2.673 -14.604 1.00 0.00 H new ATOM 30 N GLY A 4 -61.963 -5.949 -14.679 1.00 0.00 N ATOM 31 CA GLY A 4 -61.847 -7.386 -14.846 1.00 0.00 C ATOM 32 C GLY A 4 -61.242 -8.064 -13.633 1.00 0.00 C ATOM 33 O GLY A 4 -61.558 -7.714 -12.496 1.00 0.00 O ATOM 0 H GLY A 4 -62.344 -5.652 -13.781 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -62.834 -7.807 -15.039 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -61.233 -7.598 -15.721 1.00 0.00 H new ATOM 37 N SER A 5 -60.371 -9.038 -13.875 1.00 0.00 N ATOM 38 CA SER A 5 -59.724 -9.771 -12.792 1.00 0.00 C ATOM 39 C SER A 5 -58.207 -9.748 -12.952 1.00 0.00 C ATOM 40 O SER A 5 -57.688 -9.823 -14.065 1.00 0.00 O ATOM 41 CB SER A 5 -60.223 -11.217 -12.758 1.00 0.00 C ATOM 42 OG SER A 5 -61.563 -11.283 -12.301 1.00 0.00 O ATOM 0 H SER A 5 -60.097 -9.338 -14.810 1.00 0.00 H new ATOM 0 HA SER A 5 -59.980 -9.283 -11.851 1.00 0.00 H new ATOM 0 HB2 SER A 5 -60.153 -11.653 -13.755 1.00 0.00 H new ATOM 0 HB3 SER A 5 -59.583 -11.811 -12.105 1.00 0.00 H new ATOM 0 HG SER A 5 -61.859 -12.217 -12.290 1.00 0.00 H new ATOM 48 N SER A 6 -57.502 -9.645 -11.830 1.00 0.00 N ATOM 49 CA SER A 6 -56.044 -9.608 -11.844 1.00 0.00 C ATOM 50 C SER A 6 -55.465 -11.019 -11.838 1.00 0.00 C ATOM 51 O SER A 6 -55.930 -11.890 -11.103 1.00 0.00 O ATOM 52 CB SER A 6 -55.521 -8.825 -10.638 1.00 0.00 C ATOM 53 OG SER A 6 -55.639 -9.584 -9.447 1.00 0.00 O ATOM 0 H SER A 6 -57.917 -9.586 -10.900 1.00 0.00 H new ATOM 0 HA SER A 6 -55.727 -9.107 -12.759 1.00 0.00 H new ATOM 0 HB2 SER A 6 -54.477 -8.556 -10.800 1.00 0.00 H new ATOM 0 HB3 SER A 6 -56.078 -7.893 -10.536 1.00 0.00 H new ATOM 0 HG SER A 6 -55.297 -9.062 -8.691 1.00 0.00 H new ATOM 59 N GLY A 7 -54.446 -11.238 -12.664 1.00 0.00 N ATOM 60 CA GLY A 7 -53.820 -12.545 -12.740 1.00 0.00 C ATOM 61 C GLY A 7 -52.888 -12.809 -11.574 1.00 0.00 C ATOM 62 O GLY A 7 -52.778 -11.992 -10.661 1.00 0.00 O ATOM 0 H GLY A 7 -54.043 -10.533 -13.282 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -54.592 -13.314 -12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -53.262 -12.624 -13.673 1.00 0.00 H new ATOM 66 N MET A 8 -52.216 -13.955 -11.604 1.00 0.00 N ATOM 67 CA MET A 8 -51.289 -14.325 -10.541 1.00 0.00 C ATOM 68 C MET A 8 -50.058 -15.023 -11.111 1.00 0.00 C ATOM 69 O MET A 8 -50.139 -15.714 -12.126 1.00 0.00 O ATOM 70 CB MET A 8 -51.981 -15.236 -9.525 1.00 0.00 C ATOM 71 CG MET A 8 -53.104 -14.553 -8.762 1.00 0.00 C ATOM 72 SD MET A 8 -54.214 -15.726 -7.960 1.00 0.00 S ATOM 73 CE MET A 8 -55.048 -16.428 -9.381 1.00 0.00 C ATOM 0 H MET A 8 -52.296 -14.643 -12.353 1.00 0.00 H new ATOM 0 HA MET A 8 -50.968 -13.412 -10.040 1.00 0.00 H new ATOM 0 HB2 MET A 8 -52.382 -16.106 -10.044 1.00 0.00 H new ATOM 0 HB3 MET A 8 -51.240 -15.602 -8.814 1.00 0.00 H new ATOM 0 HG2 MET A 8 -52.676 -13.891 -8.009 1.00 0.00 H new ATOM 0 HG3 MET A 8 -53.676 -13.928 -9.448 1.00 0.00 H new ATOM 0 HE1 MET A 8 -56.000 -16.857 -9.069 1.00 0.00 H new ATOM 0 HE2 MET A 8 -55.227 -15.647 -10.120 1.00 0.00 H new ATOM 0 HE3 MET A 8 -54.425 -17.207 -9.820 1.00 0.00 H new ATOM 83 N ALA A 9 -48.919 -14.836 -10.452 1.00 0.00 N ATOM 84 CA ALA A 9 -47.672 -15.449 -10.893 1.00 0.00 C ATOM 85 C ALA A 9 -46.802 -15.841 -9.703 1.00 0.00 C ATOM 86 O ALA A 9 -46.483 -15.008 -8.855 1.00 0.00 O ATOM 87 CB ALA A 9 -46.916 -14.503 -11.813 1.00 0.00 C ATOM 0 H ALA A 9 -48.834 -14.265 -9.611 1.00 0.00 H new ATOM 0 HA ALA A 9 -47.917 -16.356 -11.445 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -45.987 -14.973 -12.135 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -47.529 -14.276 -12.685 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -46.689 -13.580 -11.279 1.00 0.00 H new ATOM 93 N SER A 10 -46.423 -17.114 -9.647 1.00 0.00 N ATOM 94 CA SER A 10 -45.594 -17.617 -8.558 1.00 0.00 C ATOM 95 C SER A 10 -44.220 -18.039 -9.071 1.00 0.00 C ATOM 96 O SER A 10 -44.018 -19.186 -9.467 1.00 0.00 O ATOM 97 CB SER A 10 -46.279 -18.800 -7.871 1.00 0.00 C ATOM 98 OG SER A 10 -45.433 -19.384 -6.897 1.00 0.00 O ATOM 0 H SER A 10 -46.677 -17.815 -10.343 1.00 0.00 H new ATOM 0 HA SER A 10 -45.462 -16.813 -7.834 1.00 0.00 H new ATOM 0 HB2 SER A 10 -47.204 -18.466 -7.400 1.00 0.00 H new ATOM 0 HB3 SER A 10 -46.552 -19.548 -8.615 1.00 0.00 H new ATOM 0 HG SER A 10 -45.895 -20.137 -6.472 1.00 0.00 H new ATOM 104 N GLY A 11 -43.278 -17.101 -9.062 1.00 0.00 N ATOM 105 CA GLY A 11 -41.936 -17.393 -9.529 1.00 0.00 C ATOM 106 C GLY A 11 -41.098 -16.142 -9.705 1.00 0.00 C ATOM 107 O GLY A 11 -41.017 -15.591 -10.802 1.00 0.00 O ATOM 0 H GLY A 11 -43.421 -16.144 -8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -41.445 -18.059 -8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -41.993 -17.925 -10.479 1.00 0.00 H new ATOM 111 N GLN A 12 -40.474 -15.692 -8.621 1.00 0.00 N ATOM 112 CA GLN A 12 -39.640 -14.497 -8.661 1.00 0.00 C ATOM 113 C GLN A 12 -38.187 -14.856 -8.956 1.00 0.00 C ATOM 114 O GLN A 12 -37.364 -14.953 -8.045 1.00 0.00 O ATOM 115 CB GLN A 12 -39.732 -13.741 -7.334 1.00 0.00 C ATOM 116 CG GLN A 12 -41.035 -12.977 -7.158 1.00 0.00 C ATOM 117 CD GLN A 12 -41.066 -11.685 -7.949 1.00 0.00 C ATOM 118 OE1 GLN A 12 -40.472 -10.684 -7.548 1.00 0.00 O ATOM 119 NE2 GLN A 12 -41.760 -11.700 -9.081 1.00 0.00 N ATOM 0 H GLN A 12 -40.530 -16.137 -7.705 1.00 0.00 H new ATOM 0 HA GLN A 12 -40.006 -13.856 -9.463 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -39.622 -14.450 -6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -38.898 -13.042 -7.265 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -41.867 -13.609 -7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -41.181 -12.755 -6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -42.237 -12.552 -9.375 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -41.816 -10.859 -9.656 1.00 0.00 H new ATOM 128 N PHE A 13 -37.879 -15.052 -10.233 1.00 0.00 N ATOM 129 CA PHE A 13 -36.526 -15.401 -10.648 1.00 0.00 C ATOM 130 C PHE A 13 -35.825 -14.204 -11.284 1.00 0.00 C ATOM 131 O PHE A 13 -35.139 -14.338 -12.297 1.00 0.00 O ATOM 132 CB PHE A 13 -36.558 -16.571 -11.634 1.00 0.00 C ATOM 133 CG PHE A 13 -35.268 -17.338 -11.696 1.00 0.00 C ATOM 134 CD1 PHE A 13 -34.790 -18.007 -10.581 1.00 0.00 C ATOM 135 CD2 PHE A 13 -34.535 -17.392 -12.870 1.00 0.00 C ATOM 136 CE1 PHE A 13 -33.604 -18.713 -10.635 1.00 0.00 C ATOM 137 CE2 PHE A 13 -33.347 -18.098 -12.931 1.00 0.00 C ATOM 138 CZ PHE A 13 -32.882 -18.760 -11.812 1.00 0.00 C ATOM 0 H PHE A 13 -38.548 -14.975 -10.999 1.00 0.00 H new ATOM 0 HA PHE A 13 -35.966 -15.697 -9.761 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -37.362 -17.251 -11.353 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -36.794 -16.192 -12.628 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -35.351 -17.976 -9.659 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -34.895 -16.877 -13.748 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -33.241 -19.228 -9.758 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -32.784 -18.131 -13.852 1.00 0.00 H new ATOM 0 HZ PHE A 13 -31.956 -19.313 -11.857 1.00 0.00 H new ATOM 148 N VAL A 14 -36.005 -13.033 -10.683 1.00 0.00 N ATOM 149 CA VAL A 14 -35.391 -11.811 -11.189 1.00 0.00 C ATOM 150 C VAL A 14 -34.074 -11.523 -10.477 1.00 0.00 C ATOM 151 O VAL A 14 -33.764 -10.374 -10.164 1.00 0.00 O ATOM 152 CB VAL A 14 -36.328 -10.600 -11.021 1.00 0.00 C ATOM 153 CG1 VAL A 14 -36.528 -10.279 -9.548 1.00 0.00 C ATOM 154 CG2 VAL A 14 -35.779 -9.395 -11.768 1.00 0.00 C ATOM 0 H VAL A 14 -36.571 -12.904 -9.845 1.00 0.00 H new ATOM 0 HA VAL A 14 -35.201 -11.969 -12.251 1.00 0.00 H new ATOM 0 HB VAL A 14 -37.299 -10.852 -11.448 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -37.193 -9.421 -9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -36.969 -11.139 -9.045 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -35.565 -10.047 -9.092 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -36.453 -8.548 -11.639 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -34.796 -9.139 -11.373 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -35.694 -9.632 -12.828 1.00 0.00 H new ATOM 164 N ASN A 15 -33.301 -12.574 -10.225 1.00 0.00 N ATOM 165 CA ASN A 15 -32.016 -12.434 -9.550 1.00 0.00 C ATOM 166 C ASN A 15 -30.863 -12.600 -10.535 1.00 0.00 C ATOM 167 O ASN A 15 -30.446 -13.718 -10.837 1.00 0.00 O ATOM 168 CB ASN A 15 -31.892 -13.463 -8.424 1.00 0.00 C ATOM 169 CG ASN A 15 -32.192 -14.873 -8.895 1.00 0.00 C ATOM 170 OD1 ASN A 15 -31.281 -15.664 -9.140 1.00 0.00 O ATOM 171 ND2 ASN A 15 -33.474 -15.194 -9.025 1.00 0.00 N ATOM 0 H ASN A 15 -33.542 -13.532 -10.478 1.00 0.00 H new ATOM 0 HA ASN A 15 -31.965 -11.432 -9.124 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -30.884 -13.427 -8.012 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -32.576 -13.199 -7.617 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -33.736 -16.128 -9.339 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -34.196 -14.506 -8.811 1.00 0.00 H new ATOM 178 N LYS A 16 -30.350 -11.479 -11.032 1.00 0.00 N ATOM 179 CA LYS A 16 -29.244 -11.498 -11.981 1.00 0.00 C ATOM 180 C LYS A 16 -27.903 -11.433 -11.256 1.00 0.00 C ATOM 181 O LYS A 16 -27.624 -10.476 -10.532 1.00 0.00 O ATOM 182 CB LYS A 16 -29.364 -10.328 -12.960 1.00 0.00 C ATOM 183 CG LYS A 16 -30.395 -10.552 -14.053 1.00 0.00 C ATOM 184 CD LYS A 16 -31.811 -10.441 -13.514 1.00 0.00 C ATOM 185 CE LYS A 16 -32.843 -10.699 -14.602 1.00 0.00 C ATOM 186 NZ LYS A 16 -32.916 -12.141 -14.967 1.00 0.00 N ATOM 0 H LYS A 16 -30.683 -10.545 -10.793 1.00 0.00 H new ATOM 0 HA LYS A 16 -29.292 -12.435 -12.537 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -29.625 -9.427 -12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -28.392 -10.149 -13.420 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -30.249 -9.821 -14.848 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -30.249 -11.537 -14.496 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -31.950 -11.155 -12.703 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -31.965 -9.447 -13.093 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -33.822 -10.361 -14.262 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -32.593 -10.113 -15.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -33.665 -12.283 -15.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -32.004 -12.445 -15.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -33.130 -12.703 -14.119 1.00 0.00 H new ATOM 200 N LEU A 17 -27.078 -12.454 -11.456 1.00 0.00 N ATOM 201 CA LEU A 17 -25.765 -12.512 -10.822 1.00 0.00 C ATOM 202 C LEU A 17 -25.027 -11.186 -10.976 1.00 0.00 C ATOM 203 O LEU A 17 -24.629 -10.811 -12.078 1.00 0.00 O ATOM 204 CB LEU A 17 -24.934 -13.644 -11.427 1.00 0.00 C ATOM 205 CG LEU A 17 -23.787 -14.171 -10.564 1.00 0.00 C ATOM 206 CD1 LEU A 17 -22.785 -13.065 -10.274 1.00 0.00 C ATOM 207 CD2 LEU A 17 -24.324 -14.760 -9.267 1.00 0.00 C ATOM 0 H LEU A 17 -27.294 -13.253 -12.052 1.00 0.00 H new ATOM 0 HA LEU A 17 -25.911 -12.705 -9.759 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -25.601 -14.475 -11.656 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.520 -13.298 -12.374 1.00 0.00 H new ATOM 0 HG LEU A 17 -23.276 -14.960 -11.115 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -21.976 -13.459 -9.659 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -22.377 -12.688 -11.212 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -23.282 -12.253 -9.743 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -23.494 -15.130 -8.665 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.860 -13.990 -8.712 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.003 -15.582 -9.494 1.00 0.00 H new ATOM 219 N GLN A 18 -24.848 -10.482 -9.863 1.00 0.00 N ATOM 220 CA GLN A 18 -24.156 -9.198 -9.874 1.00 0.00 C ATOM 221 C GLN A 18 -22.959 -9.216 -8.930 1.00 0.00 C ATOM 222 O GLN A 18 -23.048 -8.756 -7.792 1.00 0.00 O ATOM 223 CB GLN A 18 -25.116 -8.074 -9.479 1.00 0.00 C ATOM 224 CG GLN A 18 -26.043 -8.441 -8.331 1.00 0.00 C ATOM 225 CD GLN A 18 -26.621 -7.224 -7.636 1.00 0.00 C ATOM 226 OE1 GLN A 18 -26.820 -6.178 -8.254 1.00 0.00 O ATOM 227 NE2 GLN A 18 -26.895 -7.355 -6.344 1.00 0.00 N ATOM 0 H GLN A 18 -25.172 -10.779 -8.943 1.00 0.00 H new ATOM 0 HA GLN A 18 -23.794 -9.018 -10.886 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -24.537 -7.194 -9.200 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -25.716 -7.799 -10.346 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -26.857 -9.059 -8.710 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -25.496 -9.043 -7.606 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -26.714 -8.241 -5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -27.287 -6.570 -5.824 1.00 0.00 H new ATOM 236 N GLU A 19 -21.841 -9.751 -9.410 1.00 0.00 N ATOM 237 CA GLU A 19 -20.626 -9.829 -8.606 1.00 0.00 C ATOM 238 C GLU A 19 -19.616 -8.772 -9.043 1.00 0.00 C ATOM 239 O GLU A 19 -18.705 -9.053 -9.821 1.00 0.00 O ATOM 240 CB GLU A 19 -20.003 -11.222 -8.718 1.00 0.00 C ATOM 241 CG GLU A 19 -18.672 -11.353 -7.997 1.00 0.00 C ATOM 242 CD GLU A 19 -17.892 -12.579 -8.431 1.00 0.00 C ATOM 243 OE1 GLU A 19 -18.152 -13.671 -7.883 1.00 0.00 O ATOM 244 OE2 GLU A 19 -17.022 -12.446 -9.317 1.00 0.00 O ATOM 0 H GLU A 19 -21.751 -10.136 -10.350 1.00 0.00 H new ATOM 0 HA GLU A 19 -20.896 -9.642 -7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -20.700 -11.956 -8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -19.861 -11.464 -9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.073 -10.461 -8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.848 -11.401 -6.922 1.00 0.00 H new ATOM 251 N GLU A 20 -19.785 -7.555 -8.535 1.00 0.00 N ATOM 252 CA GLU A 20 -18.889 -6.455 -8.874 1.00 0.00 C ATOM 253 C GLU A 20 -17.839 -6.254 -7.785 1.00 0.00 C ATOM 254 O GLU A 20 -18.170 -5.991 -6.629 1.00 0.00 O ATOM 255 CB GLU A 20 -19.684 -5.164 -9.076 1.00 0.00 C ATOM 256 CG GLU A 20 -20.529 -4.775 -7.874 1.00 0.00 C ATOM 257 CD GLU A 20 -21.288 -3.480 -8.089 1.00 0.00 C ATOM 258 OE1 GLU A 20 -20.635 -2.426 -8.234 1.00 0.00 O ATOM 259 OE2 GLU A 20 -22.536 -3.521 -8.112 1.00 0.00 O ATOM 0 H GLU A 20 -20.533 -7.306 -7.888 1.00 0.00 H new ATOM 0 HA GLU A 20 -18.380 -6.708 -9.804 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -18.992 -4.352 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -20.333 -5.279 -9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -21.237 -5.575 -7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.886 -4.674 -7.000 1.00 0.00 H new ATOM 266 N VAL A 21 -16.571 -6.381 -8.163 1.00 0.00 N ATOM 267 CA VAL A 21 -15.472 -6.213 -7.221 1.00 0.00 C ATOM 268 C VAL A 21 -15.341 -4.759 -6.782 1.00 0.00 C ATOM 269 O VAL A 21 -15.547 -3.840 -7.575 1.00 0.00 O ATOM 270 CB VAL A 21 -14.135 -6.676 -7.830 1.00 0.00 C ATOM 271 CG1 VAL A 21 -13.004 -6.505 -6.827 1.00 0.00 C ATOM 272 CG2 VAL A 21 -14.233 -8.121 -8.294 1.00 0.00 C ATOM 0 H VAL A 21 -16.280 -6.600 -9.116 1.00 0.00 H new ATOM 0 HA VAL A 21 -15.702 -6.832 -6.354 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.916 -6.054 -8.698 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.067 -6.837 -7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.921 -5.455 -6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.213 -7.101 -5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.280 -8.431 -8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -14.475 -8.760 -7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -15.015 -8.209 -9.049 1.00 0.00 H new ATOM 282 N ILE A 22 -14.999 -4.558 -5.514 1.00 0.00 N ATOM 283 CA ILE A 22 -14.839 -3.215 -4.970 1.00 0.00 C ATOM 284 C ILE A 22 -13.451 -3.027 -4.367 1.00 0.00 C ATOM 285 O ILE A 22 -12.829 -3.983 -3.904 1.00 0.00 O ATOM 286 CB ILE A 22 -15.899 -2.914 -3.894 1.00 0.00 C ATOM 287 CG1 ILE A 22 -17.298 -3.249 -4.416 1.00 0.00 C ATOM 288 CG2 ILE A 22 -15.822 -1.456 -3.467 1.00 0.00 C ATOM 289 CD1 ILE A 22 -18.374 -3.167 -3.357 1.00 0.00 C ATOM 0 H ILE A 22 -14.827 -5.308 -4.844 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.968 -2.521 -5.800 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.698 -3.538 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.547 -2.566 -5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.289 -4.255 -4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.577 -1.259 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.833 -1.248 -3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.000 -0.814 -4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -19.339 -3.417 -3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -18.149 -3.870 -2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.411 -2.155 -2.953 1.00 0.00 H new ATOM 301 N CYS A 23 -12.972 -1.788 -4.375 1.00 0.00 N ATOM 302 CA CYS A 23 -11.658 -1.472 -3.828 1.00 0.00 C ATOM 303 C CYS A 23 -11.698 -1.436 -2.303 1.00 0.00 C ATOM 304 O CYS A 23 -12.440 -0.665 -1.695 1.00 0.00 O ATOM 305 CB CYS A 23 -11.167 -0.128 -4.368 1.00 0.00 C ATOM 306 SG CYS A 23 -9.480 0.315 -3.840 1.00 0.00 S ATOM 0 H CYS A 23 -13.475 -0.986 -4.755 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.966 -2.255 -4.138 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.201 -0.152 -5.457 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.854 0.654 -4.045 1.00 0.00 H new ATOM 311 N PRO A 24 -10.880 -2.290 -1.669 1.00 0.00 N ATOM 312 CA PRO A 24 -10.802 -2.374 -0.208 1.00 0.00 C ATOM 313 C PRO A 24 -10.154 -1.140 0.411 1.00 0.00 C ATOM 314 O PRO A 24 -9.916 -1.092 1.618 1.00 0.00 O ATOM 315 CB PRO A 24 -9.933 -3.611 0.030 1.00 0.00 C ATOM 316 CG PRO A 24 -9.107 -3.737 -1.203 1.00 0.00 C ATOM 317 CD PRO A 24 -9.967 -3.238 -2.330 1.00 0.00 C ATOM 0 HA PRO A 24 -11.789 -2.435 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.308 -3.491 0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.544 -4.499 0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.192 -3.151 -1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.808 -4.772 -1.369 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.373 -2.751 -3.103 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.511 -4.051 -2.811 1.00 0.00 H new ATOM 325 N ILE A 25 -9.871 -0.146 -0.423 1.00 0.00 N ATOM 326 CA ILE A 25 -9.251 1.089 0.043 1.00 0.00 C ATOM 327 C ILE A 25 -10.260 2.232 0.076 1.00 0.00 C ATOM 328 O ILE A 25 -10.499 2.834 1.123 1.00 0.00 O ATOM 329 CB ILE A 25 -8.063 1.494 -0.849 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.993 0.400 -0.837 1.00 0.00 C ATOM 331 CG2 ILE A 25 -7.479 2.819 -0.383 1.00 0.00 C ATOM 332 CD1 ILE A 25 -5.805 0.708 -1.722 1.00 0.00 C ATOM 0 H ILE A 25 -10.061 -0.171 -1.425 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.888 0.898 1.053 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.420 1.616 -1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.646 0.254 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.442 -0.540 -1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.640 3.092 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.244 3.593 -0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.134 2.722 0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.087 -0.110 -1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.140 0.825 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.331 1.631 -1.387 1.00 0.00 H new ATOM 344 N CYS A 26 -10.851 2.526 -1.077 1.00 0.00 N ATOM 345 CA CYS A 26 -11.836 3.595 -1.182 1.00 0.00 C ATOM 346 C CYS A 26 -13.254 3.033 -1.160 1.00 0.00 C ATOM 347 O CYS A 26 -14.222 3.766 -0.952 1.00 0.00 O ATOM 348 CB CYS A 26 -11.614 4.398 -2.465 1.00 0.00 C ATOM 349 SG CYS A 26 -11.572 3.384 -3.978 1.00 0.00 S ATOM 0 H CYS A 26 -10.664 2.038 -1.953 1.00 0.00 H new ATOM 0 HA CYS A 26 -11.712 4.254 -0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.408 5.139 -2.559 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.675 4.945 -2.381 1.00 0.00 H new ATOM 354 N LEU A 27 -13.370 1.727 -1.375 1.00 0.00 N ATOM 355 CA LEU A 27 -14.670 1.065 -1.380 1.00 0.00 C ATOM 356 C LEU A 27 -15.511 1.525 -2.566 1.00 0.00 C ATOM 357 O LEU A 27 -16.713 1.757 -2.435 1.00 0.00 O ATOM 358 CB LEU A 27 -15.413 1.348 -0.073 1.00 0.00 C ATOM 359 CG LEU A 27 -14.593 1.208 1.210 1.00 0.00 C ATOM 360 CD1 LEU A 27 -15.381 1.718 2.406 1.00 0.00 C ATOM 361 CD2 LEU A 27 -14.177 -0.240 1.421 1.00 0.00 C ATOM 0 H LEU A 27 -12.580 1.106 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.503 -0.008 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.811 2.362 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.266 0.673 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.692 1.813 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.781 1.610 3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.628 2.769 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.300 1.141 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.594 -0.321 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.066 -0.866 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.572 -0.572 0.577 1.00 0.00 H new ATOM 373 N ASP A 28 -14.872 1.652 -3.724 1.00 0.00 N ATOM 374 CA ASP A 28 -15.562 2.081 -4.935 1.00 0.00 C ATOM 375 C ASP A 28 -15.411 1.043 -6.043 1.00 0.00 C ATOM 376 O ASP A 28 -14.356 0.425 -6.188 1.00 0.00 O ATOM 377 CB ASP A 28 -15.019 3.431 -5.406 1.00 0.00 C ATOM 378 CG ASP A 28 -14.872 4.424 -4.271 1.00 0.00 C ATOM 379 OD1 ASP A 28 -15.724 4.410 -3.358 1.00 0.00 O ATOM 380 OD2 ASP A 28 -13.907 5.217 -4.296 1.00 0.00 O ATOM 0 H ASP A 28 -13.877 1.464 -3.850 1.00 0.00 H new ATOM 0 HA ASP A 28 -16.622 2.186 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.050 3.283 -5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -15.687 3.844 -6.162 1.00 0.00 H new ATOM 385 N ILE A 29 -16.473 0.856 -6.820 1.00 0.00 N ATOM 386 CA ILE A 29 -16.458 -0.107 -7.914 1.00 0.00 C ATOM 387 C ILE A 29 -15.079 -0.183 -8.560 1.00 0.00 C ATOM 388 O ILE A 29 -14.580 0.803 -9.103 1.00 0.00 O ATOM 389 CB ILE A 29 -17.499 0.249 -8.992 1.00 0.00 C ATOM 390 CG1 ILE A 29 -18.908 0.234 -8.396 1.00 0.00 C ATOM 391 CG2 ILE A 29 -17.402 -0.719 -10.161 1.00 0.00 C ATOM 392 CD1 ILE A 29 -19.965 0.781 -9.329 1.00 0.00 C ATOM 0 H ILE A 29 -17.354 1.359 -6.712 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.709 -1.077 -7.484 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.291 1.254 -9.359 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -19.168 -0.789 -8.125 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.910 0.818 -7.475 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.144 -0.455 -10.915 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.405 -0.663 -10.598 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.588 -1.734 -9.809 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.938 0.739 -8.840 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.729 1.815 -9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -19.991 0.183 -10.240 1.00 0.00 H new ATOM 404 N LEU A 30 -14.468 -1.362 -8.501 1.00 0.00 N ATOM 405 CA LEU A 30 -13.147 -1.569 -9.082 1.00 0.00 C ATOM 406 C LEU A 30 -13.244 -1.803 -10.587 1.00 0.00 C ATOM 407 O LEU A 30 -12.717 -2.786 -11.106 1.00 0.00 O ATOM 408 CB LEU A 30 -12.454 -2.757 -8.413 1.00 0.00 C ATOM 409 CG LEU A 30 -11.603 -2.433 -7.185 1.00 0.00 C ATOM 410 CD1 LEU A 30 -11.150 -3.712 -6.497 1.00 0.00 C ATOM 411 CD2 LEU A 30 -10.403 -1.583 -7.577 1.00 0.00 C ATOM 0 H LEU A 30 -14.867 -2.189 -8.056 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.557 -0.669 -8.910 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -13.216 -3.480 -8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.819 -3.245 -9.152 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.213 -1.864 -6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.545 -3.462 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.023 -4.284 -6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.557 -4.308 -7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.809 -1.362 -6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.792 -2.127 -8.297 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.748 -0.651 -8.024 1.00 0.00 H new ATOM 423 N GLN A 31 -13.920 -0.892 -11.280 1.00 0.00 N ATOM 424 CA GLN A 31 -14.084 -0.999 -12.724 1.00 0.00 C ATOM 425 C GLN A 31 -12.776 -1.412 -13.392 1.00 0.00 C ATOM 426 O GLN A 31 -12.773 -2.178 -14.356 1.00 0.00 O ATOM 427 CB GLN A 31 -14.570 0.330 -13.304 1.00 0.00 C ATOM 428 CG GLN A 31 -14.969 0.246 -14.768 1.00 0.00 C ATOM 429 CD GLN A 31 -16.147 -0.679 -14.999 1.00 0.00 C ATOM 430 OE1 GLN A 31 -16.020 -1.901 -14.905 1.00 0.00 O ATOM 431 NE2 GLN A 31 -17.303 -0.102 -15.304 1.00 0.00 N ATOM 0 H GLN A 31 -14.362 -0.072 -10.865 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.830 -1.768 -12.923 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.423 0.680 -12.723 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.782 1.075 -13.193 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.218 1.243 -15.131 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.118 -0.102 -15.353 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.364 0.914 -15.371 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.130 -0.675 -15.471 1.00 0.00 H new ATOM 440 N LYS A 32 -11.666 -0.898 -12.874 1.00 0.00 N ATOM 441 CA LYS A 32 -10.350 -1.212 -13.419 1.00 0.00 C ATOM 442 C LYS A 32 -9.450 -1.822 -12.349 1.00 0.00 C ATOM 443 O LYS A 32 -8.663 -1.134 -11.700 1.00 0.00 O ATOM 444 CB LYS A 32 -9.698 0.048 -13.991 1.00 0.00 C ATOM 445 CG LYS A 32 -9.582 1.182 -12.988 1.00 0.00 C ATOM 446 CD LYS A 32 -9.515 2.534 -13.679 1.00 0.00 C ATOM 447 CE LYS A 32 -9.734 3.674 -12.696 1.00 0.00 C ATOM 448 NZ LYS A 32 -9.582 5.004 -13.348 1.00 0.00 N ATOM 0 H LYS A 32 -11.651 -0.262 -12.077 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.480 -1.941 -14.219 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.703 -0.203 -14.359 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.278 0.390 -14.848 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.437 1.160 -12.312 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.690 1.040 -12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.544 2.650 -14.161 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.269 2.580 -14.465 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.731 3.594 -12.263 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.022 3.588 -11.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.739 5.755 -12.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.623 5.091 -13.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.279 5.096 -14.115 1.00 0.00 H new ATOM 462 N PRO A 33 -9.567 -3.145 -12.160 1.00 0.00 N ATOM 463 CA PRO A 33 -8.770 -3.877 -11.171 1.00 0.00 C ATOM 464 C PRO A 33 -7.298 -3.963 -11.561 1.00 0.00 C ATOM 465 O PRO A 33 -6.967 -4.193 -12.725 1.00 0.00 O ATOM 466 CB PRO A 33 -9.404 -5.270 -11.165 1.00 0.00 C ATOM 467 CG PRO A 33 -10.028 -5.408 -12.510 1.00 0.00 C ATOM 468 CD PRO A 33 -10.485 -4.028 -12.898 1.00 0.00 C ATOM 0 HA PRO A 33 -8.778 -3.386 -10.198 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.656 -6.044 -10.994 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.147 -5.364 -10.373 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.313 -5.800 -13.233 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.867 -6.103 -12.482 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.416 -3.870 -13.974 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.523 -3.854 -12.616 1.00 0.00 H new ATOM 476 N VAL A 34 -6.419 -3.777 -10.582 1.00 0.00 N ATOM 477 CA VAL A 34 -4.982 -3.836 -10.823 1.00 0.00 C ATOM 478 C VAL A 34 -4.307 -4.831 -9.886 1.00 0.00 C ATOM 479 O VAL A 34 -4.371 -4.691 -8.664 1.00 0.00 O ATOM 480 CB VAL A 34 -4.326 -2.453 -10.646 1.00 0.00 C ATOM 481 CG1 VAL A 34 -2.822 -2.546 -10.850 1.00 0.00 C ATOM 482 CG2 VAL A 34 -4.942 -1.445 -11.604 1.00 0.00 C ATOM 0 H VAL A 34 -6.677 -3.584 -9.614 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.847 -4.165 -11.854 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.509 -2.110 -9.628 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.376 -1.560 -10.721 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.398 -3.235 -10.119 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.613 -2.910 -11.856 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.467 -0.474 -11.465 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.791 -1.779 -12.630 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.010 -1.358 -11.404 1.00 0.00 H new ATOM 492 N THR A 35 -3.660 -5.836 -10.465 1.00 0.00 N ATOM 493 CA THR A 35 -2.973 -6.856 -9.682 1.00 0.00 C ATOM 494 C THR A 35 -1.500 -6.508 -9.497 1.00 0.00 C ATOM 495 O THR A 35 -0.767 -6.334 -10.471 1.00 0.00 O ATOM 496 CB THR A 35 -3.082 -8.242 -10.345 1.00 0.00 C ATOM 497 OG1 THR A 35 -4.449 -8.529 -10.659 1.00 0.00 O ATOM 498 CG2 THR A 35 -2.527 -9.324 -9.431 1.00 0.00 C ATOM 0 H THR A 35 -3.597 -5.966 -11.475 1.00 0.00 H new ATOM 0 HA THR A 35 -3.461 -6.888 -8.708 1.00 0.00 H new ATOM 0 HB THR A 35 -2.495 -8.229 -11.263 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.035 -7.965 -10.113 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.615 -10.294 -9.920 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.478 -9.118 -9.219 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.090 -9.336 -8.498 1.00 0.00 H new ATOM 506 N ILE A 36 -1.074 -6.408 -8.242 1.00 0.00 N ATOM 507 CA ILE A 36 0.312 -6.082 -7.931 1.00 0.00 C ATOM 508 C ILE A 36 1.109 -7.338 -7.594 1.00 0.00 C ATOM 509 O ILE A 36 0.574 -8.446 -7.602 1.00 0.00 O ATOM 510 CB ILE A 36 0.407 -5.096 -6.752 1.00 0.00 C ATOM 511 CG1 ILE A 36 -0.129 -5.743 -5.473 1.00 0.00 C ATOM 512 CG2 ILE A 36 -0.358 -3.819 -7.066 1.00 0.00 C ATOM 513 CD1 ILE A 36 0.007 -4.865 -4.248 1.00 0.00 C ATOM 0 H ILE A 36 -1.668 -6.548 -7.425 1.00 0.00 H new ATOM 0 HA ILE A 36 0.734 -5.614 -8.820 1.00 0.00 H new ATOM 0 HB ILE A 36 1.455 -4.840 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.180 -5.994 -5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.401 -6.679 -5.299 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.281 -3.132 -6.223 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.065 -3.351 -7.955 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.406 -4.058 -7.245 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.393 -5.388 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.059 -4.635 -4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.547 -3.939 -4.401 1.00 0.00 H new ATOM 525 N ASP A 37 2.391 -7.156 -7.298 1.00 0.00 N ATOM 526 CA ASP A 37 3.263 -8.273 -6.956 1.00 0.00 C ATOM 527 C ASP A 37 2.633 -9.141 -5.871 1.00 0.00 C ATOM 528 O ASP A 37 2.673 -10.370 -5.942 1.00 0.00 O ATOM 529 CB ASP A 37 4.626 -7.760 -6.489 1.00 0.00 C ATOM 530 CG ASP A 37 5.733 -8.772 -6.712 1.00 0.00 C ATOM 531 OD1 ASP A 37 6.171 -8.926 -7.871 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.160 -9.411 -5.727 1.00 0.00 O ATOM 0 H ASP A 37 2.850 -6.245 -7.288 1.00 0.00 H new ATOM 0 HA ASP A 37 3.400 -8.882 -7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.866 -6.840 -7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.574 -7.511 -5.429 1.00 0.00 H new ATOM 537 N CYS A 38 2.053 -8.494 -4.865 1.00 0.00 N ATOM 538 CA CYS A 38 1.416 -9.205 -3.764 1.00 0.00 C ATOM 539 C CYS A 38 0.235 -10.033 -4.261 1.00 0.00 C ATOM 540 O CYS A 38 -0.040 -11.114 -3.743 1.00 0.00 O ATOM 541 CB CYS A 38 0.946 -8.216 -2.695 1.00 0.00 C ATOM 542 SG CYS A 38 -0.720 -7.539 -2.990 1.00 0.00 S ATOM 0 H CYS A 38 2.011 -7.478 -4.790 1.00 0.00 H new ATOM 0 HA CYS A 38 2.152 -9.880 -3.327 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.958 -8.713 -1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.657 -7.392 -2.640 1.00 0.00 H new ATOM 547 N GLY A 39 -0.459 -9.517 -5.271 1.00 0.00 N ATOM 548 CA GLY A 39 -1.602 -10.221 -5.822 1.00 0.00 C ATOM 549 C GLY A 39 -2.895 -9.448 -5.654 1.00 0.00 C ATOM 550 O GLY A 39 -3.660 -9.289 -6.606 1.00 0.00 O ATOM 0 H GLY A 39 -0.250 -8.624 -5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.431 -10.412 -6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.697 -11.191 -5.335 1.00 0.00 H new ATOM 554 N HIS A 40 -3.143 -8.968 -4.439 1.00 0.00 N ATOM 555 CA HIS A 40 -4.354 -8.209 -4.149 1.00 0.00 C ATOM 556 C HIS A 40 -4.675 -7.244 -5.286 1.00 0.00 C ATOM 557 O HIS A 40 -3.776 -6.741 -5.960 1.00 0.00 O ATOM 558 CB HIS A 40 -4.195 -7.437 -2.839 1.00 0.00 C ATOM 559 CG HIS A 40 -4.153 -8.316 -1.627 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.219 -8.170 -0.623 1.00 0.00 N ATOM 561 CD2 HIS A 40 -4.939 -9.356 -1.260 1.00 0.00 C ATOM 562 CE1 HIS A 40 -3.431 -9.083 0.308 1.00 0.00 C ATOM 563 NE2 HIS A 40 -4.469 -9.815 -0.054 1.00 0.00 N ATOM 0 H HIS A 40 -2.521 -9.091 -3.640 1.00 0.00 H new ATOM 0 HA HIS A 40 -5.180 -8.913 -4.049 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.279 -6.848 -2.883 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -5.021 -6.733 -2.739 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.779 -9.751 -1.813 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.853 -9.209 1.212 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -4.858 -10.595 0.476 1.00 0.00 H new ATOM 571 N ASN A 41 -5.963 -6.990 -5.494 1.00 0.00 N ATOM 572 CA ASN A 41 -6.403 -6.086 -6.551 1.00 0.00 C ATOM 573 C ASN A 41 -6.881 -4.759 -5.968 1.00 0.00 C ATOM 574 O ASN A 41 -7.671 -4.732 -5.024 1.00 0.00 O ATOM 575 CB ASN A 41 -7.524 -6.730 -7.368 1.00 0.00 C ATOM 576 CG ASN A 41 -7.001 -7.732 -8.379 1.00 0.00 C ATOM 577 OD1 ASN A 41 -6.696 -7.379 -9.519 1.00 0.00 O ATOM 578 ND2 ASN A 41 -6.894 -8.989 -7.965 1.00 0.00 N ATOM 0 H ASN A 41 -6.720 -7.397 -4.945 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.553 -5.890 -7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.221 -7.228 -6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.084 -5.952 -7.888 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.547 -9.708 -8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.158 -9.236 -7.011 1.00 0.00 H new ATOM 585 N PHE A 42 -6.397 -3.660 -6.537 1.00 0.00 N ATOM 586 CA PHE A 42 -6.774 -2.330 -6.074 1.00 0.00 C ATOM 587 C PHE A 42 -7.222 -1.455 -7.241 1.00 0.00 C ATOM 588 O PHE A 42 -7.194 -1.879 -8.397 1.00 0.00 O ATOM 589 CB PHE A 42 -5.602 -1.669 -5.346 1.00 0.00 C ATOM 590 CG PHE A 42 -5.220 -2.363 -4.070 1.00 0.00 C ATOM 591 CD1 PHE A 42 -5.917 -2.119 -2.898 1.00 0.00 C ATOM 592 CD2 PHE A 42 -4.164 -3.259 -4.043 1.00 0.00 C ATOM 593 CE1 PHE A 42 -5.568 -2.756 -1.722 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.811 -3.900 -2.870 1.00 0.00 C ATOM 595 CZ PHE A 42 -4.513 -3.647 -1.708 1.00 0.00 C ATOM 0 H PHE A 42 -5.743 -3.664 -7.320 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.609 -2.436 -5.381 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.738 -1.646 -6.010 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.860 -0.634 -5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.743 -1.423 -2.903 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.610 -3.459 -4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.120 -2.557 -0.815 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.987 -4.598 -2.862 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.237 -4.145 -0.790 1.00 0.00 H new ATOM 605 N CYS A 43 -7.634 -0.230 -6.930 1.00 0.00 N ATOM 606 CA CYS A 43 -8.089 0.706 -7.951 1.00 0.00 C ATOM 607 C CYS A 43 -7.005 1.732 -8.270 1.00 0.00 C ATOM 608 O CYS A 43 -6.333 2.241 -7.372 1.00 0.00 O ATOM 609 CB CYS A 43 -9.361 1.419 -7.488 1.00 0.00 C ATOM 610 SG CYS A 43 -9.057 2.976 -6.593 1.00 0.00 S ATOM 0 H CYS A 43 -7.662 0.137 -5.979 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.307 0.140 -8.857 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.984 1.628 -8.357 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.927 0.747 -6.844 1.00 0.00 H new ATOM 615 N LEU A 44 -6.841 2.031 -9.554 1.00 0.00 N ATOM 616 CA LEU A 44 -5.839 2.997 -9.992 1.00 0.00 C ATOM 617 C LEU A 44 -5.887 4.258 -9.136 1.00 0.00 C ATOM 618 O LEU A 44 -4.865 4.709 -8.618 1.00 0.00 O ATOM 619 CB LEU A 44 -6.059 3.356 -11.463 1.00 0.00 C ATOM 620 CG LEU A 44 -4.920 4.115 -12.145 1.00 0.00 C ATOM 621 CD1 LEU A 44 -3.674 3.246 -12.228 1.00 0.00 C ATOM 622 CD2 LEU A 44 -5.343 4.578 -13.532 1.00 0.00 C ATOM 0 H LEU A 44 -7.388 1.619 -10.310 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.855 2.541 -9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.239 2.435 -12.018 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.966 3.956 -11.538 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.685 4.995 -11.546 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.874 3.803 -12.716 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.359 2.964 -11.223 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.895 2.347 -12.804 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.520 5.116 -14.003 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.605 3.712 -14.140 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.207 5.237 -13.448 1.00 0.00 H new ATOM 634 N LYS A 45 -7.080 4.822 -8.988 1.00 0.00 N ATOM 635 CA LYS A 45 -7.264 6.029 -8.192 1.00 0.00 C ATOM 636 C LYS A 45 -6.567 5.900 -6.841 1.00 0.00 C ATOM 637 O LYS A 45 -6.161 6.897 -6.243 1.00 0.00 O ATOM 638 CB LYS A 45 -8.754 6.307 -7.984 1.00 0.00 C ATOM 639 CG LYS A 45 -9.070 6.974 -6.657 1.00 0.00 C ATOM 640 CD LYS A 45 -10.321 7.831 -6.747 1.00 0.00 C ATOM 641 CE LYS A 45 -10.430 8.784 -5.567 1.00 0.00 C ATOM 642 NZ LYS A 45 -11.026 8.122 -4.373 1.00 0.00 N ATOM 0 H LYS A 45 -7.936 4.462 -9.410 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.818 6.863 -8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.113 6.942 -8.794 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.303 5.367 -8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.204 6.212 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.226 7.592 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.307 8.401 -7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.201 7.189 -6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.440 9.165 -5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.040 9.643 -5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.083 8.804 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.981 7.781 -4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.431 7.318 -4.089 1.00 0.00 H new ATOM 656 N CYS A 46 -6.431 4.667 -6.366 1.00 0.00 N ATOM 657 CA CYS A 46 -5.782 4.407 -5.086 1.00 0.00 C ATOM 658 C CYS A 46 -4.298 4.109 -5.279 1.00 0.00 C ATOM 659 O CYS A 46 -3.440 4.906 -4.901 1.00 0.00 O ATOM 660 CB CYS A 46 -6.461 3.235 -4.375 1.00 0.00 C ATOM 661 SG CYS A 46 -7.806 3.726 -3.249 1.00 0.00 S ATOM 0 H CYS A 46 -6.762 3.831 -6.848 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.878 5.301 -4.470 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.860 2.552 -5.124 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.711 2.684 -3.809 1.00 0.00 H new ATOM 666 N ILE A 47 -4.004 2.955 -5.870 1.00 0.00 N ATOM 667 CA ILE A 47 -2.625 2.552 -6.114 1.00 0.00 C ATOM 668 C ILE A 47 -1.770 3.744 -6.530 1.00 0.00 C ATOM 669 O ILE A 47 -0.631 3.892 -6.085 1.00 0.00 O ATOM 670 CB ILE A 47 -2.540 1.468 -7.205 1.00 0.00 C ATOM 671 CG1 ILE A 47 -3.334 0.230 -6.786 1.00 0.00 C ATOM 672 CG2 ILE A 47 -1.088 1.105 -7.479 1.00 0.00 C ATOM 673 CD1 ILE A 47 -3.541 -0.764 -7.908 1.00 0.00 C ATOM 0 H ILE A 47 -4.703 2.283 -6.188 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.245 2.144 -5.178 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.975 1.862 -8.123 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.814 -0.264 -5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.306 0.543 -6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.044 0.338 -8.252 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.549 1.991 -7.816 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.629 0.726 -6.566 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.111 -1.616 -7.539 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.088 -0.286 -8.721 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.573 -1.107 -8.274 1.00 0.00 H new ATOM 685 N THR A 48 -2.326 4.595 -7.387 1.00 0.00 N ATOM 686 CA THR A 48 -1.616 5.775 -7.863 1.00 0.00 C ATOM 687 C THR A 48 -1.467 6.812 -6.756 1.00 0.00 C ATOM 688 O THR A 48 -0.392 7.378 -6.564 1.00 0.00 O ATOM 689 CB THR A 48 -2.337 6.420 -9.062 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.446 5.477 -10.134 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.592 7.656 -9.541 1.00 0.00 C ATOM 0 H THR A 48 -3.267 4.488 -7.766 1.00 0.00 H new ATOM 0 HA THR A 48 -0.628 5.442 -8.180 1.00 0.00 H new ATOM 0 HB THR A 48 -3.334 6.719 -8.739 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.209 4.883 -9.971 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.120 8.094 -10.388 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.537 8.384 -8.732 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.584 7.377 -9.847 1.00 0.00 H new ATOM 699 N GLN A 49 -2.554 7.055 -6.030 1.00 0.00 N ATOM 700 CA GLN A 49 -2.543 8.025 -4.941 1.00 0.00 C ATOM 701 C GLN A 49 -1.508 7.648 -3.886 1.00 0.00 C ATOM 702 O GLN A 49 -0.678 8.469 -3.497 1.00 0.00 O ATOM 703 CB GLN A 49 -3.929 8.120 -4.301 1.00 0.00 C ATOM 704 CG GLN A 49 -3.941 8.878 -2.984 1.00 0.00 C ATOM 705 CD GLN A 49 -5.184 8.601 -2.162 1.00 0.00 C ATOM 706 OE1 GLN A 49 -6.288 9.004 -2.530 1.00 0.00 O ATOM 707 NE2 GLN A 49 -5.011 7.911 -1.041 1.00 0.00 N ATOM 0 H GLN A 49 -3.452 6.594 -6.176 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.274 8.996 -5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.609 8.609 -4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.313 7.113 -4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.059 8.606 -2.405 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.873 9.947 -3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.078 7.597 -0.774 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.811 7.695 -0.446 1.00 0.00 H new ATOM 716 N ILE A 50 -1.564 6.401 -3.429 1.00 0.00 N ATOM 717 CA ILE A 50 -0.631 5.916 -2.420 1.00 0.00 C ATOM 718 C ILE A 50 0.807 6.272 -2.784 1.00 0.00 C ATOM 719 O ILE A 50 1.598 6.659 -1.925 1.00 0.00 O ATOM 720 CB ILE A 50 -0.740 4.391 -2.240 1.00 0.00 C ATOM 721 CG1 ILE A 50 -2.166 4.003 -1.843 1.00 0.00 C ATOM 722 CG2 ILE A 50 0.256 3.908 -1.195 1.00 0.00 C ATOM 723 CD1 ILE A 50 -2.462 2.530 -2.020 1.00 0.00 C ATOM 0 H ILE A 50 -2.245 5.709 -3.741 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.898 6.405 -1.483 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.503 3.910 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.332 4.276 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.871 4.581 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.167 2.828 -1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.268 4.156 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.047 4.394 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.490 2.327 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.329 2.255 -3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.781 1.945 -1.402 1.00 0.00 H new ATOM 735 N GLY A 51 1.137 6.141 -4.065 1.00 0.00 N ATOM 736 CA GLY A 51 2.478 6.454 -4.522 1.00 0.00 C ATOM 737 C GLY A 51 2.854 7.900 -4.267 1.00 0.00 C ATOM 738 O GLY A 51 2.555 8.448 -3.207 1.00 0.00 O ATOM 0 H GLY A 51 0.499 5.823 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.192 5.802 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.553 6.245 -5.589 1.00 0.00 H new ATOM 742 N GLU A 52 3.512 8.520 -5.242 1.00 0.00 N ATOM 743 CA GLU A 52 3.931 9.911 -5.117 1.00 0.00 C ATOM 744 C GLU A 52 4.302 10.239 -3.674 1.00 0.00 C ATOM 745 O GLU A 52 3.965 11.307 -3.161 1.00 0.00 O ATOM 746 CB GLU A 52 2.819 10.847 -5.595 1.00 0.00 C ATOM 747 CG GLU A 52 2.325 10.538 -6.998 1.00 0.00 C ATOM 748 CD GLU A 52 1.197 9.525 -7.010 1.00 0.00 C ATOM 749 OE1 GLU A 52 0.261 9.671 -6.195 1.00 0.00 O ATOM 750 OE2 GLU A 52 1.249 8.588 -7.833 1.00 0.00 O ATOM 0 H GLU A 52 3.766 8.081 -6.127 1.00 0.00 H new ATOM 0 HA GLU A 52 4.812 10.056 -5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.980 10.785 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.182 11.874 -5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.986 11.460 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.154 10.160 -7.596 1.00 0.00 H new ATOM 757 N THR A 53 4.999 9.313 -3.022 1.00 0.00 N ATOM 758 CA THR A 53 5.414 9.501 -1.638 1.00 0.00 C ATOM 759 C THR A 53 6.934 9.511 -1.517 1.00 0.00 C ATOM 760 O THR A 53 7.514 10.429 -0.936 1.00 0.00 O ATOM 761 CB THR A 53 4.845 8.399 -0.725 1.00 0.00 C ATOM 762 OG1 THR A 53 3.414 8.431 -0.752 1.00 0.00 O ATOM 763 CG2 THR A 53 5.334 8.574 0.704 1.00 0.00 C ATOM 0 H THR A 53 5.288 8.425 -3.431 1.00 0.00 H new ATOM 0 HA THR A 53 5.020 10.466 -1.318 1.00 0.00 H new ATOM 0 HB THR A 53 5.194 7.435 -1.096 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.095 8.078 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.919 7.784 1.330 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.422 8.520 0.725 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.012 9.544 1.083 1.00 0.00 H new ATOM 771 N SER A 54 7.574 8.486 -2.070 1.00 0.00 N ATOM 772 CA SER A 54 9.027 8.375 -2.021 1.00 0.00 C ATOM 773 C SER A 54 9.570 7.779 -3.316 1.00 0.00 C ATOM 774 O SER A 54 8.808 7.409 -4.209 1.00 0.00 O ATOM 775 CB SER A 54 9.454 7.513 -0.831 1.00 0.00 C ATOM 776 OG SER A 54 9.218 8.184 0.395 1.00 0.00 O ATOM 0 H SER A 54 7.109 7.720 -2.557 1.00 0.00 H new ATOM 0 HA SER A 54 9.440 9.377 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.906 6.571 -0.845 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.512 7.267 -0.917 1.00 0.00 H new ATOM 0 HG SER A 54 9.497 7.612 1.140 1.00 0.00 H new ATOM 782 N CYS A 55 10.893 7.691 -3.409 1.00 0.00 N ATOM 783 CA CYS A 55 11.540 7.141 -4.595 1.00 0.00 C ATOM 784 C CYS A 55 11.012 5.744 -4.904 1.00 0.00 C ATOM 785 O CYS A 55 11.586 4.743 -4.477 1.00 0.00 O ATOM 786 CB CYS A 55 13.056 7.094 -4.399 1.00 0.00 C ATOM 787 SG CYS A 55 13.975 6.581 -5.868 1.00 0.00 S ATOM 0 H CYS A 55 11.537 7.993 -2.678 1.00 0.00 H new ATOM 0 HA CYS A 55 11.310 7.792 -5.439 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.403 8.081 -4.093 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.285 6.409 -3.583 1.00 0.00 H new ATOM 0 HG CYS A 55 15.248 6.574 -5.603 1.00 0.00 H new ATOM 793 N GLY A 56 9.912 5.684 -5.649 1.00 0.00 N ATOM 794 CA GLY A 56 9.323 4.405 -6.001 1.00 0.00 C ATOM 795 C GLY A 56 9.270 3.448 -4.827 1.00 0.00 C ATOM 796 O GLY A 56 10.146 2.597 -4.670 1.00 0.00 O ATOM 0 H GLY A 56 9.418 6.498 -6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.314 4.565 -6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.899 3.953 -6.808 1.00 0.00 H new ATOM 800 N PHE A 57 8.241 3.588 -3.998 1.00 0.00 N ATOM 801 CA PHE A 57 8.078 2.731 -2.829 1.00 0.00 C ATOM 802 C PHE A 57 6.660 2.829 -2.276 1.00 0.00 C ATOM 803 O PHE A 57 6.254 3.869 -1.756 1.00 0.00 O ATOM 804 CB PHE A 57 9.088 3.114 -1.745 1.00 0.00 C ATOM 805 CG PHE A 57 10.468 2.576 -1.995 1.00 0.00 C ATOM 806 CD1 PHE A 57 10.677 1.216 -2.159 1.00 0.00 C ATOM 807 CD2 PHE A 57 11.557 3.431 -2.064 1.00 0.00 C ATOM 808 CE1 PHE A 57 11.946 0.719 -2.390 1.00 0.00 C ATOM 809 CE2 PHE A 57 12.827 2.939 -2.294 1.00 0.00 C ATOM 810 CZ PHE A 57 13.023 1.581 -2.456 1.00 0.00 C ATOM 0 H PHE A 57 7.507 4.287 -4.114 1.00 0.00 H new ATOM 0 HA PHE A 57 8.258 1.701 -3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.138 4.201 -1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 57 8.732 2.747 -0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 57 9.839 0.537 -2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.411 4.493 -1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.095 -0.343 -2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 57 13.667 3.616 -2.347 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.016 1.195 -2.634 1.00 0.00 H new ATOM 820 N PHE A 58 5.909 1.738 -2.393 1.00 0.00 N ATOM 821 CA PHE A 58 4.535 1.700 -1.907 1.00 0.00 C ATOM 822 C PHE A 58 4.162 0.297 -1.439 1.00 0.00 C ATOM 823 O PHE A 58 4.177 -0.655 -2.220 1.00 0.00 O ATOM 824 CB PHE A 58 3.571 2.158 -3.003 1.00 0.00 C ATOM 825 CG PHE A 58 3.071 1.036 -3.868 1.00 0.00 C ATOM 826 CD1 PHE A 58 3.912 0.419 -4.780 1.00 0.00 C ATOM 827 CD2 PHE A 58 1.760 0.600 -3.770 1.00 0.00 C ATOM 828 CE1 PHE A 58 3.456 -0.613 -5.577 1.00 0.00 C ATOM 829 CE2 PHE A 58 1.298 -0.433 -4.565 1.00 0.00 C ATOM 830 CZ PHE A 58 2.147 -1.039 -5.470 1.00 0.00 C ATOM 0 H PHE A 58 6.229 0.869 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 58 4.458 2.379 -1.058 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.719 2.658 -2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.071 2.895 -3.631 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.937 0.749 -4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.091 1.072 -3.065 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.123 -1.086 -6.283 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.274 -0.765 -4.478 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.788 -1.845 -6.093 1.00 0.00 H new ATOM 840 N LYS A 59 3.828 0.175 -0.159 1.00 0.00 N ATOM 841 CA LYS A 59 3.450 -1.111 0.415 1.00 0.00 C ATOM 842 C LYS A 59 1.946 -1.340 0.295 1.00 0.00 C ATOM 843 O LYS A 59 1.163 -0.390 0.275 1.00 0.00 O ATOM 844 CB LYS A 59 3.870 -1.180 1.885 1.00 0.00 C ATOM 845 CG LYS A 59 5.374 -1.263 2.084 1.00 0.00 C ATOM 846 CD LYS A 59 5.727 -1.640 3.513 1.00 0.00 C ATOM 847 CE LYS A 59 5.312 -0.555 4.495 1.00 0.00 C ATOM 848 NZ LYS A 59 5.798 -0.839 5.873 1.00 0.00 N ATOM 0 H LYS A 59 3.811 0.952 0.501 1.00 0.00 H new ATOM 0 HA LYS A 59 3.965 -1.894 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.491 -0.300 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.402 -2.049 2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.793 -2.000 1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.828 -0.303 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.235 -2.577 3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.801 -1.811 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.705 0.406 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.225 -0.469 4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.495 -0.077 6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.403 -1.743 6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.836 -0.896 5.870 1.00 0.00 H new ATOM 862 N CYS A 60 1.550 -2.605 0.216 1.00 0.00 N ATOM 863 CA CYS A 60 0.140 -2.960 0.099 1.00 0.00 C ATOM 864 C CYS A 60 -0.590 -2.731 1.419 1.00 0.00 C ATOM 865 O CYS A 60 -0.147 -3.160 2.485 1.00 0.00 O ATOM 866 CB CYS A 60 -0.005 -4.421 -0.331 1.00 0.00 C ATOM 867 SG CYS A 60 -1.727 -4.944 -0.616 1.00 0.00 S ATOM 0 H CYS A 60 2.186 -3.403 0.231 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.309 -2.319 -0.659 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.567 -4.578 -1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.436 -5.060 0.435 1.00 0.00 H new ATOM 872 N PRO A 61 -1.736 -2.038 1.348 1.00 0.00 N ATOM 873 CA PRO A 61 -2.553 -1.737 2.528 1.00 0.00 C ATOM 874 C PRO A 61 -3.225 -2.980 3.100 1.00 0.00 C ATOM 875 O PRO A 61 -3.875 -2.922 4.145 1.00 0.00 O ATOM 876 CB PRO A 61 -3.603 -0.760 1.992 1.00 0.00 C ATOM 877 CG PRO A 61 -3.701 -1.070 0.538 1.00 0.00 C ATOM 878 CD PRO A 61 -2.324 -1.496 0.112 1.00 0.00 C ATOM 0 HA PRO A 61 -1.955 -1.335 3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.562 -0.896 2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.302 0.275 2.157 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.428 -1.861 0.356 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.031 -0.198 -0.026 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.362 -2.247 -0.677 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.745 -0.657 -0.274 1.00 0.00 H new ATOM 886 N LEU A 62 -3.065 -4.104 2.411 1.00 0.00 N ATOM 887 CA LEU A 62 -3.656 -5.363 2.851 1.00 0.00 C ATOM 888 C LEU A 62 -2.586 -6.311 3.381 1.00 0.00 C ATOM 889 O LEU A 62 -2.849 -7.134 4.259 1.00 0.00 O ATOM 890 CB LEU A 62 -4.414 -6.024 1.699 1.00 0.00 C ATOM 891 CG LEU A 62 -5.703 -5.330 1.258 1.00 0.00 C ATOM 892 CD1 LEU A 62 -6.164 -5.867 -0.089 1.00 0.00 C ATOM 893 CD2 LEU A 62 -6.791 -5.509 2.306 1.00 0.00 C ATOM 0 H LEU A 62 -2.531 -4.170 1.545 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.354 -5.145 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.746 -6.086 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.656 -7.046 1.989 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.501 -4.264 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.083 -5.362 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.392 -5.686 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.349 -6.938 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.701 -5.008 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.991 -6.571 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.461 -5.076 3.250 1.00 0.00 H new ATOM 905 N CYS A 63 -1.376 -6.190 2.844 1.00 0.00 N ATOM 906 CA CYS A 63 -0.264 -7.034 3.263 1.00 0.00 C ATOM 907 C CYS A 63 1.044 -6.249 3.269 1.00 0.00 C ATOM 908 O CYS A 63 1.186 -5.252 2.559 1.00 0.00 O ATOM 909 CB CYS A 63 -0.140 -8.246 2.338 1.00 0.00 C ATOM 910 SG CYS A 63 0.240 -7.824 0.607 1.00 0.00 S ATOM 0 H CYS A 63 -1.141 -5.514 2.117 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.465 -7.378 4.278 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.641 -8.903 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.073 -8.809 2.367 1.00 0.00 H new ATOM 915 N LYS A 64 1.997 -6.704 4.074 1.00 0.00 N ATOM 916 CA LYS A 64 3.295 -6.046 4.172 1.00 0.00 C ATOM 917 C LYS A 64 4.234 -6.527 3.071 1.00 0.00 C ATOM 918 O LYS A 64 5.138 -7.326 3.316 1.00 0.00 O ATOM 919 CB LYS A 64 3.922 -6.311 5.543 1.00 0.00 C ATOM 920 CG LYS A 64 3.343 -5.451 6.653 1.00 0.00 C ATOM 921 CD LYS A 64 4.109 -4.148 6.806 1.00 0.00 C ATOM 922 CE LYS A 64 5.360 -4.332 7.651 1.00 0.00 C ATOM 923 NZ LYS A 64 5.036 -4.468 9.098 1.00 0.00 N ATOM 0 H LYS A 64 1.895 -7.526 4.669 1.00 0.00 H new ATOM 0 HA LYS A 64 3.140 -4.974 4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.784 -7.361 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.996 -6.136 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.296 -5.236 6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.369 -6.002 7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.386 -3.770 5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.465 -3.398 7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.899 -5.218 7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.025 -3.480 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.909 -4.387 9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.374 -3.716 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.599 -5.396 9.270 1.00 0.00 H new ATOM 937 N THR A 65 4.015 -6.035 1.855 1.00 0.00 N ATOM 938 CA THR A 65 4.841 -6.414 0.716 1.00 0.00 C ATOM 939 C THR A 65 5.710 -5.250 0.255 1.00 0.00 C ATOM 940 O THR A 65 5.321 -4.088 0.373 1.00 0.00 O ATOM 941 CB THR A 65 3.980 -6.897 -0.466 1.00 0.00 C ATOM 942 OG1 THR A 65 4.822 -7.341 -1.536 1.00 0.00 O ATOM 943 CG2 THR A 65 3.067 -5.786 -0.960 1.00 0.00 C ATOM 0 H THR A 65 3.272 -5.373 1.634 1.00 0.00 H new ATOM 0 HA THR A 65 5.481 -7.232 1.048 1.00 0.00 H new ATOM 0 HB THR A 65 3.362 -7.727 -0.122 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.267 -7.648 -2.283 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.469 -6.151 -1.795 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.407 -5.471 -0.152 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.669 -4.939 -1.288 1.00 0.00 H new ATOM 951 N SER A 66 6.888 -5.568 -0.271 1.00 0.00 N ATOM 952 CA SER A 66 7.814 -4.547 -0.747 1.00 0.00 C ATOM 953 C SER A 66 7.884 -4.546 -2.271 1.00 0.00 C ATOM 954 O SER A 66 8.709 -5.239 -2.867 1.00 0.00 O ATOM 955 CB SER A 66 9.208 -4.779 -0.161 1.00 0.00 C ATOM 956 OG SER A 66 9.264 -4.378 1.196 1.00 0.00 O ATOM 0 H SER A 66 7.224 -6.525 -0.378 1.00 0.00 H new ATOM 0 HA SER A 66 7.446 -3.576 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.469 -5.834 -0.243 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.946 -4.222 -0.739 1.00 0.00 H new ATOM 0 HG SER A 66 10.165 -4.538 1.548 1.00 0.00 H new ATOM 962 N VAL A 67 7.011 -3.763 -2.897 1.00 0.00 N ATOM 963 CA VAL A 67 6.973 -3.669 -4.352 1.00 0.00 C ATOM 964 C VAL A 67 7.701 -2.422 -4.841 1.00 0.00 C ATOM 965 O VAL A 67 7.559 -1.343 -4.266 1.00 0.00 O ATOM 966 CB VAL A 67 5.525 -3.644 -4.875 1.00 0.00 C ATOM 967 CG1 VAL A 67 5.504 -3.734 -6.393 1.00 0.00 C ATOM 968 CG2 VAL A 67 4.715 -4.773 -4.255 1.00 0.00 C ATOM 0 H VAL A 67 6.320 -3.184 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 67 7.476 -4.555 -4.740 1.00 0.00 H new ATOM 0 HB VAL A 67 5.069 -2.698 -4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.472 -3.715 -6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.047 -2.888 -6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.978 -4.663 -6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.694 -4.740 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.168 -5.730 -4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.702 -4.659 -3.171 1.00 0.00 H new ATOM 978 N ARG A 68 8.479 -2.578 -5.907 1.00 0.00 N ATOM 979 CA ARG A 68 9.230 -1.464 -6.474 1.00 0.00 C ATOM 980 C ARG A 68 8.738 -1.138 -7.881 1.00 0.00 C ATOM 981 O ARG A 68 8.712 -2.001 -8.758 1.00 0.00 O ATOM 982 CB ARG A 68 10.724 -1.793 -6.508 1.00 0.00 C ATOM 983 CG ARG A 68 11.398 -1.702 -5.149 1.00 0.00 C ATOM 984 CD ARG A 68 12.881 -2.024 -5.241 1.00 0.00 C ATOM 985 NE ARG A 68 13.554 -1.876 -3.953 1.00 0.00 N ATOM 986 CZ ARG A 68 14.853 -1.627 -3.827 1.00 0.00 C ATOM 987 NH1 ARG A 68 15.615 -1.499 -4.905 1.00 0.00 N ATOM 988 NH2 ARG A 68 15.392 -1.506 -2.621 1.00 0.00 N ATOM 0 H ARG A 68 8.606 -3.464 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 68 9.072 -0.591 -5.840 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.857 -2.800 -6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.222 -1.111 -7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.267 -0.699 -4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.917 -2.392 -4.456 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.009 -3.045 -5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.350 -1.366 -5.973 1.00 0.00 H new ATOM 0 HE ARG A 68 12.996 -1.969 -3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.204 -1.592 -5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.612 -1.308 -4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.809 -1.604 -1.790 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.389 -1.315 -2.525 1.00 0.00 H new ATOM 1002 N LYS A 69 8.347 0.115 -8.090 1.00 0.00 N ATOM 1003 CA LYS A 69 7.856 0.558 -9.390 1.00 0.00 C ATOM 1004 C LYS A 69 8.784 1.608 -9.993 1.00 0.00 C ATOM 1005 O LYS A 69 8.580 2.807 -9.810 1.00 0.00 O ATOM 1006 CB LYS A 69 6.442 1.127 -9.257 1.00 0.00 C ATOM 1007 CG LYS A 69 6.334 2.261 -8.252 1.00 0.00 C ATOM 1008 CD LYS A 69 4.967 2.291 -7.589 1.00 0.00 C ATOM 1009 CE LYS A 69 5.040 2.877 -6.188 1.00 0.00 C ATOM 1010 NZ LYS A 69 5.300 4.343 -6.214 1.00 0.00 N ATOM 0 H LYS A 69 8.361 0.842 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 69 7.832 -0.305 -10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.110 1.484 -10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.763 0.326 -8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 69 7.106 2.148 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.517 3.211 -8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.280 2.881 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.562 1.280 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.104 2.683 -5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.829 2.378 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.980 4.588 -5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.692 4.610 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.410 4.856 -6.054 1.00 0.00 H new ATOM 1024 N ASN A 70 9.802 1.149 -10.713 1.00 0.00 N ATOM 1025 CA ASN A 70 10.760 2.049 -11.344 1.00 0.00 C ATOM 1026 C ASN A 70 10.986 1.667 -12.804 1.00 0.00 C ATOM 1027 O ASN A 70 11.735 0.738 -13.104 1.00 0.00 O ATOM 1028 CB ASN A 70 12.089 2.025 -10.587 1.00 0.00 C ATOM 1029 CG ASN A 70 12.667 0.627 -10.479 1.00 0.00 C ATOM 1030 OD1 ASN A 70 12.048 -0.271 -9.909 1.00 0.00 O ATOM 1031 ND2 ASN A 70 13.862 0.438 -11.027 1.00 0.00 N ATOM 0 H ASN A 70 9.985 0.159 -10.874 1.00 0.00 H new ATOM 0 HA ASN A 70 10.349 3.058 -11.311 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.804 2.673 -11.093 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.942 2.433 -9.587 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.303 -0.481 -10.985 1.00 0.00 H new ATOM 0 HD22 ASN A 70 14.339 1.212 -11.490 1.00 0.00 H new ATOM 1038 N ALA A 71 10.334 2.391 -13.707 1.00 0.00 N ATOM 1039 CA ALA A 71 10.465 2.130 -15.135 1.00 0.00 C ATOM 1040 C ALA A 71 10.755 3.415 -15.904 1.00 0.00 C ATOM 1041 O ALA A 71 10.800 4.500 -15.323 1.00 0.00 O ATOM 1042 CB ALA A 71 9.205 1.466 -15.669 1.00 0.00 C ATOM 0 H ALA A 71 9.709 3.163 -13.475 1.00 0.00 H new ATOM 0 HA ALA A 71 11.307 1.453 -15.279 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.318 1.277 -16.737 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.043 0.522 -15.149 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.350 2.122 -15.505 1.00 0.00 H new ATOM 1048 N ILE A 72 10.951 3.285 -17.211 1.00 0.00 N ATOM 1049 CA ILE A 72 11.236 4.437 -18.058 1.00 0.00 C ATOM 1050 C ILE A 72 9.950 5.060 -18.590 1.00 0.00 C ATOM 1051 O ILE A 72 9.346 4.551 -19.535 1.00 0.00 O ATOM 1052 CB ILE A 72 12.136 4.052 -19.247 1.00 0.00 C ATOM 1053 CG1 ILE A 72 13.457 3.464 -18.746 1.00 0.00 C ATOM 1054 CG2 ILE A 72 12.392 5.263 -20.132 1.00 0.00 C ATOM 1055 CD1 ILE A 72 13.410 1.966 -18.535 1.00 0.00 C ATOM 0 H ILE A 72 10.918 2.394 -17.707 1.00 0.00 H new ATOM 0 HA ILE A 72 11.759 5.164 -17.437 1.00 0.00 H new ATOM 0 HB ILE A 72 11.624 3.294 -19.840 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.244 3.697 -19.463 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.727 3.947 -17.807 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.030 4.975 -20.968 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.444 5.642 -20.513 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.886 6.041 -19.550 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.380 1.618 -18.180 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.646 1.726 -17.796 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.171 1.473 -19.477 1.00 0.00 H new ATOM 1067 N ARG A 73 9.537 6.165 -17.978 1.00 0.00 N ATOM 1068 CA ARG A 73 8.322 6.858 -18.390 1.00 0.00 C ATOM 1069 C ARG A 73 8.552 7.635 -19.683 1.00 0.00 C ATOM 1070 O ARG A 73 7.643 8.287 -20.197 1.00 0.00 O ATOM 1071 CB ARG A 73 7.854 7.809 -17.287 1.00 0.00 C ATOM 1072 CG ARG A 73 8.704 9.064 -17.163 1.00 0.00 C ATOM 1073 CD ARG A 73 8.045 10.096 -16.262 1.00 0.00 C ATOM 1074 NE ARG A 73 8.613 11.428 -16.450 1.00 0.00 N ATOM 1075 CZ ARG A 73 7.989 12.549 -16.104 1.00 0.00 C ATOM 1076 NH1 ARG A 73 6.783 12.498 -15.556 1.00 0.00 N ATOM 1077 NH2 ARG A 73 8.571 13.724 -16.306 1.00 0.00 N ATOM 0 H ARG A 73 10.026 6.600 -17.195 1.00 0.00 H new ATOM 0 HA ARG A 73 7.549 6.111 -18.568 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.821 8.098 -17.482 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.862 7.279 -16.334 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.684 8.803 -16.763 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.867 9.493 -18.151 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.975 10.126 -16.467 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.162 9.796 -15.221 1.00 0.00 H new ATOM 0 HE ARG A 73 9.540 11.502 -16.870 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.332 11.597 -15.399 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.306 13.360 -15.291 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.499 13.768 -16.727 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.091 14.584 -16.040 1.00 0.00 H new TER 1091 ARG A 73 HETATM 1092 ZN ZN A 201 -9.470 2.608 -4.337 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 -1.461 -7.274 -0.777 1.00 0.00 ZN