USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 MET CE :methyl 177:sc= 0 (180deg=-0.0111) USER MOD Set 1.2: A 88 THR OG1 : rot 42:sc= 0.932 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.44 (180deg=2.02) USER MOD Single : A 7 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.6) USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.852 USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 0.18 (180deg=0.137) USER MOD Single : A 13 ASN : amide:sc= 0.762 K(o=0.76,f=-0.023) USER MOD Single : A 18 SER OG : rot -104:sc= 1.07 USER MOD Single : A 19 SER OG : rot 180:sc= 0.197 USER MOD Single : A 48 TYR OH : rot -40:sc= 1.1 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0308) USER MOD Single : A 54 CYS SG : rot -164:sc= -0.0981 USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= 0.526 (180deg=0.511) USER MOD Single : A 58 ASN : amide:sc= 0.0689 K(o=0.069,f=-8.9!) USER MOD Single : A 59 THR OG1 : rot 84:sc= 1.07 USER MOD Single : A 62 SER OG : rot -51:sc= 0.238 USER MOD Single : A 64 ASN : amide:sc= 1.23 K(o=1.2,f=-0.93) USER MOD Single : A 67 SER OG : rot 74:sc= 1.19 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0948 USER MOD Single : A 76 THR OG1 : rot 113:sc= 1.09 USER MOD Single : A 81 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0219) USER MOD Single : A 84 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000455) USER MOD Single : A 85 LYS NZ :NH3+ -173:sc= -0.079 (180deg=-0.112) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.398 USER MOD Single : A 95 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.394) USER MOD Single : A 97 THR OG1 : rot 88:sc= 1.15 USER MOD Single : A 100 GLN : amide:sc= -0.0851 X(o=-0.085,f=-0.053) USER MOD Single : A 101 THR OG1 : rot 80:sc= 1.15 USER MOD Single : A 104 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0315) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0.871 K(o=0.87,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.238 -2.891 -11.462 1.00 0.00 N ATOM 2 CA MET A 1 -0.809 -2.630 -12.794 1.00 0.00 C ATOM 3 C MET A 1 -1.973 -1.650 -12.649 1.00 0.00 C ATOM 4 O MET A 1 -1.812 -0.465 -12.919 1.00 0.00 O ATOM 5 CB MET A 1 -1.216 -3.953 -13.468 1.00 0.00 C ATOM 6 CG MET A 1 -1.846 -3.743 -14.851 1.00 0.00 C ATOM 7 SD MET A 1 -0.829 -2.797 -16.010 1.00 0.00 S ATOM 8 CE MET A 1 -2.035 -2.518 -17.326 1.00 0.00 C ATOM 0 H1 MET A 1 0.644 -3.432 -11.563 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.038 -1.988 -10.987 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.917 -3.438 -10.894 1.00 0.00 H new ATOM 0 HA MET A 1 -0.067 -2.170 -13.447 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.338 -4.591 -13.566 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.923 -4.480 -12.827 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.061 -4.718 -15.289 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.801 -3.232 -14.726 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.572 -1.944 -18.128 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.376 -3.477 -17.716 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.886 -1.964 -16.929 1.00 0.00 H new ATOM 20 N GLU A 2 -3.126 -2.137 -12.182 1.00 0.00 N ATOM 21 CA GLU A 2 -4.252 -1.283 -11.837 1.00 0.00 C ATOM 22 C GLU A 2 -3.814 -0.468 -10.622 1.00 0.00 C ATOM 23 O GLU A 2 -3.991 0.745 -10.560 1.00 0.00 O ATOM 24 CB GLU A 2 -5.481 -2.142 -11.526 1.00 0.00 C ATOM 25 CG GLU A 2 -5.929 -2.977 -12.731 1.00 0.00 C ATOM 26 CD GLU A 2 -7.058 -3.923 -12.338 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.196 -3.425 -12.197 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.754 -5.124 -12.168 1.00 0.00 O ATOM 0 H GLU A 2 -3.299 -3.131 -12.035 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.530 -0.621 -12.657 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.256 -2.805 -10.691 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.301 -1.498 -11.209 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.262 -2.318 -13.533 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.086 -3.549 -13.118 1.00 0.00 H new ATOM 35 N ALA A 3 -3.210 -1.170 -9.661 1.00 0.00 N ATOM 36 CA ALA A 3 -2.550 -0.552 -8.530 1.00 0.00 C ATOM 37 C ALA A 3 -1.214 -0.029 -9.058 1.00 0.00 C ATOM 38 O ALA A 3 -0.546 -0.736 -9.822 1.00 0.00 O ATOM 39 CB ALA A 3 -2.336 -1.593 -7.435 1.00 0.00 C ATOM 0 H ALA A 3 -3.170 -2.189 -9.654 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.139 0.257 -8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.839 -1.128 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.300 -1.992 -7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.716 -2.403 -7.819 1.00 0.00 H new ATOM 45 N GLY A 4 -0.825 1.193 -8.692 1.00 0.00 N ATOM 46 CA GLY A 4 0.417 1.764 -9.192 1.00 0.00 C ATOM 47 C GLY A 4 1.643 1.069 -8.594 1.00 0.00 C ATOM 48 O GLY A 4 1.538 0.319 -7.623 1.00 0.00 O ATOM 0 H GLY A 4 -1.348 1.797 -8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.445 1.679 -10.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.450 2.827 -8.954 1.00 0.00 H new ATOM 52 N ALA A 5 2.814 1.333 -9.173 1.00 0.00 N ATOM 53 CA ALA A 5 4.101 0.850 -8.696 1.00 0.00 C ATOM 54 C ALA A 5 4.882 2.090 -8.274 1.00 0.00 C ATOM 55 O ALA A 5 4.947 3.038 -9.056 1.00 0.00 O ATOM 56 CB ALA A 5 4.821 0.088 -9.811 1.00 0.00 C ATOM 0 H ALA A 5 2.891 1.907 -10.013 1.00 0.00 H new ATOM 0 HA ALA A 5 3.996 0.157 -7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.783 -0.270 -9.445 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.213 -0.761 -10.123 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.980 0.751 -10.661 1.00 0.00 H new ATOM 62 N VAL A 6 5.427 2.117 -7.055 1.00 0.00 N ATOM 63 CA VAL A 6 6.155 3.271 -6.543 1.00 0.00 C ATOM 64 C VAL A 6 7.517 2.870 -5.972 1.00 0.00 C ATOM 65 O VAL A 6 7.816 1.698 -5.734 1.00 0.00 O ATOM 66 CB VAL A 6 5.304 4.041 -5.505 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.294 4.963 -6.190 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.538 3.142 -4.529 1.00 0.00 C ATOM 0 H VAL A 6 5.374 1.338 -6.399 1.00 0.00 H new ATOM 0 HA VAL A 6 6.348 3.943 -7.379 1.00 0.00 H new ATOM 0 HB VAL A 6 6.031 4.615 -4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.711 5.490 -5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.824 5.687 -6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.626 4.370 -6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.968 3.760 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.857 2.498 -5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.244 2.527 -3.970 1.00 0.00 H new ATOM 78 N ASN A 7 8.344 3.896 -5.774 1.00 0.00 N ATOM 79 CA ASN A 7 9.676 3.867 -5.192 1.00 0.00 C ATOM 80 C ASN A 7 9.801 5.140 -4.364 1.00 0.00 C ATOM 81 O ASN A 7 8.939 6.004 -4.461 1.00 0.00 O ATOM 82 CB ASN A 7 10.735 3.850 -6.302 1.00 0.00 C ATOM 83 CG ASN A 7 12.157 4.036 -5.785 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.754 5.095 -5.948 1.00 0.00 O ATOM 85 ND2 ASN A 7 12.661 3.029 -5.080 1.00 0.00 N ATOM 0 H ASN A 7 8.073 4.843 -6.040 1.00 0.00 H new ATOM 0 HA ASN A 7 9.828 2.977 -4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.672 2.904 -6.839 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.511 4.639 -7.020 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.581 3.119 -4.648 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.128 2.166 -4.971 1.00 0.00 H new ATOM 92 N ASP A 8 10.880 5.269 -3.598 1.00 0.00 N ATOM 93 CA ASP A 8 11.177 6.395 -2.716 1.00 0.00 C ATOM 94 C ASP A 8 10.786 7.735 -3.333 1.00 0.00 C ATOM 95 O ASP A 8 10.110 8.549 -2.709 1.00 0.00 O ATOM 96 CB ASP A 8 12.681 6.393 -2.421 1.00 0.00 C ATOM 97 CG ASP A 8 13.093 7.433 -1.381 1.00 0.00 C ATOM 98 OD1 ASP A 8 12.223 7.861 -0.595 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.299 7.760 -1.368 1.00 0.00 O ATOM 0 H ASP A 8 11.608 4.555 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 8 10.593 6.276 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.974 5.403 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.226 6.579 -3.346 1.00 0.00 H new ATOM 104 N ASP A 9 11.226 7.939 -4.572 1.00 0.00 N ATOM 105 CA ASP A 9 10.925 9.141 -5.337 1.00 0.00 C ATOM 106 C ASP A 9 9.418 9.279 -5.584 1.00 0.00 C ATOM 107 O ASP A 9 8.746 10.106 -4.972 1.00 0.00 O ATOM 108 CB ASP A 9 11.685 9.088 -6.668 1.00 0.00 C ATOM 109 CG ASP A 9 11.283 10.246 -7.574 1.00 0.00 C ATOM 110 OD1 ASP A 9 11.611 11.394 -7.207 1.00 0.00 O ATOM 111 OD2 ASP A 9 10.642 9.957 -8.608 1.00 0.00 O ATOM 0 H ASP A 9 11.806 7.268 -5.075 1.00 0.00 H new ATOM 0 HA ASP A 9 11.243 10.014 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.758 9.125 -6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.482 8.142 -7.169 1.00 0.00 H new ATOM 116 N THR A 10 8.891 8.457 -6.493 1.00 0.00 N ATOM 117 CA THR A 10 7.505 8.500 -6.943 1.00 0.00 C ATOM 118 C THR A 10 6.525 8.516 -5.767 1.00 0.00 C ATOM 119 O THR A 10 5.567 9.286 -5.782 1.00 0.00 O ATOM 120 CB THR A 10 7.262 7.322 -7.895 1.00 0.00 C ATOM 121 OG1 THR A 10 7.764 6.124 -7.337 1.00 0.00 O ATOM 122 CG2 THR A 10 7.984 7.553 -9.227 1.00 0.00 C ATOM 0 H THR A 10 9.435 7.723 -6.947 1.00 0.00 H new ATOM 0 HA THR A 10 7.325 9.430 -7.482 1.00 0.00 H new ATOM 0 HB THR A 10 6.187 7.244 -8.055 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.896 5.462 -8.048 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.801 6.708 -9.891 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.610 8.466 -9.690 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.055 7.649 -9.048 1.00 0.00 H new ATOM 130 N PHE A 11 6.787 7.703 -4.740 1.00 0.00 N ATOM 131 CA PHE A 11 6.046 7.618 -3.482 1.00 0.00 C ATOM 132 C PHE A 11 5.636 8.995 -2.994 1.00 0.00 C ATOM 133 O PHE A 11 4.531 9.216 -2.517 1.00 0.00 O ATOM 134 CB PHE A 11 6.957 7.011 -2.416 1.00 0.00 C ATOM 135 CG PHE A 11 6.353 6.852 -1.033 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.453 5.803 -0.776 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.732 7.717 0.011 1.00 0.00 C ATOM 138 CE1 PHE A 11 4.952 5.604 0.522 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.213 7.531 1.305 1.00 0.00 C ATOM 140 CZ PHE A 11 5.331 6.467 1.563 1.00 0.00 C ATOM 0 H PHE A 11 7.569 7.048 -4.768 1.00 0.00 H new ATOM 0 HA PHE A 11 5.157 7.011 -3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.284 6.031 -2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.848 7.633 -2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.146 5.148 -1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.422 8.525 -0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.275 4.786 0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.492 8.206 2.101 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.946 6.314 2.560 1.00 0.00 H new ATOM 150 N LYS A 12 6.552 9.942 -3.090 1.00 0.00 N ATOM 151 CA LYS A 12 6.261 11.290 -2.647 1.00 0.00 C ATOM 152 C LYS A 12 5.114 11.913 -3.443 1.00 0.00 C ATOM 153 O LYS A 12 4.086 12.290 -2.885 1.00 0.00 O ATOM 154 CB LYS A 12 7.519 12.140 -2.732 1.00 0.00 C ATOM 155 CG LYS A 12 8.602 11.471 -1.874 1.00 0.00 C ATOM 156 CD LYS A 12 9.511 12.447 -1.125 1.00 0.00 C ATOM 157 CE LYS A 12 10.282 11.666 -0.051 1.00 0.00 C ATOM 158 NZ LYS A 12 11.151 10.631 -0.648 1.00 0.00 N ATOM 0 H LYS A 12 7.490 9.804 -3.465 1.00 0.00 H new ATOM 0 HA LYS A 12 5.934 11.248 -1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.852 12.226 -3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.321 13.151 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.120 10.815 -1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.218 10.840 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.204 12.926 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.920 13.240 -0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.888 12.356 0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.577 11.198 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.731 10.193 0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.563 9.903 -1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.772 11.067 -1.359 1.00 0.00 H new ATOM 172 N ASN A 13 5.286 12.004 -4.758 1.00 0.00 N ATOM 173 CA ASN A 13 4.303 12.591 -5.653 1.00 0.00 C ATOM 174 C ASN A 13 2.989 11.812 -5.626 1.00 0.00 C ATOM 175 O ASN A 13 1.918 12.383 -5.806 1.00 0.00 O ATOM 176 CB ASN A 13 4.848 12.570 -7.086 1.00 0.00 C ATOM 177 CG ASN A 13 6.189 13.276 -7.297 1.00 0.00 C ATOM 178 OD1 ASN A 13 6.871 13.004 -8.278 1.00 0.00 O ATOM 179 ND2 ASN A 13 6.604 14.174 -6.406 1.00 0.00 N ATOM 0 H ASN A 13 6.123 11.667 -5.235 1.00 0.00 H new ATOM 0 HA ASN A 13 4.114 13.612 -5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.952 11.531 -7.400 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.109 13.029 -7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.499 14.645 -6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.026 14.391 -5.594 1.00 0.00 H new ATOM 186 N VAL A 14 3.095 10.500 -5.424 1.00 0.00 N ATOM 187 CA VAL A 14 1.984 9.562 -5.563 1.00 0.00 C ATOM 188 C VAL A 14 1.246 9.298 -4.245 1.00 0.00 C ATOM 189 O VAL A 14 0.052 9.009 -4.268 1.00 0.00 O ATOM 190 CB VAL A 14 2.540 8.266 -6.189 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.497 7.147 -6.275 1.00 0.00 C ATOM 192 CG2 VAL A 14 3.038 8.536 -7.618 1.00 0.00 C ATOM 0 H VAL A 14 3.971 10.052 -5.155 1.00 0.00 H new ATOM 0 HA VAL A 14 1.227 10.000 -6.213 1.00 0.00 H new ATOM 0 HB VAL A 14 3.350 7.944 -5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.949 6.262 -6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.140 6.904 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.659 7.477 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.428 7.613 -8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.212 8.900 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.828 9.286 -7.592 1.00 0.00 H new ATOM 202 N VAL A 15 1.938 9.373 -3.107 1.00 0.00 N ATOM 203 CA VAL A 15 1.401 9.059 -1.789 1.00 0.00 C ATOM 204 C VAL A 15 1.398 10.313 -0.919 1.00 0.00 C ATOM 205 O VAL A 15 0.332 10.870 -0.676 1.00 0.00 O ATOM 206 CB VAL A 15 2.197 7.906 -1.139 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.510 7.417 0.143 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.380 6.749 -2.131 1.00 0.00 C ATOM 0 H VAL A 15 2.916 9.663 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 15 0.370 8.719 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 15 3.182 8.286 -0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.091 6.605 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.442 8.239 0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.508 7.059 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.943 5.947 -1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.403 6.374 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.924 7.103 -3.007 1.00 0.00 H new ATOM 218 N LEU A 16 2.572 10.768 -0.467 1.00 0.00 N ATOM 219 CA LEU A 16 2.713 11.907 0.440 1.00 0.00 C ATOM 220 C LEU A 16 1.870 13.096 -0.016 1.00 0.00 C ATOM 221 O LEU A 16 1.059 13.628 0.735 1.00 0.00 O ATOM 222 CB LEU A 16 4.177 12.360 0.507 1.00 0.00 C ATOM 223 CG LEU A 16 5.165 11.380 1.163 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.547 12.040 1.211 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.785 10.992 2.593 1.00 0.00 C ATOM 0 H LEU A 16 3.464 10.347 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 16 2.370 11.576 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.519 12.562 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.219 13.303 1.052 1.00 0.00 H new ATOM 0 HG LEU A 16 5.152 10.472 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.260 11.358 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.874 12.274 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.492 12.958 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.526 10.299 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.752 11.886 3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.805 10.514 2.592 1.00 0.00 H new ATOM 237 N GLU A 17 2.102 13.518 -1.254 1.00 0.00 N ATOM 238 CA GLU A 17 1.442 14.656 -1.880 1.00 0.00 C ATOM 239 C GLU A 17 0.040 14.321 -2.421 1.00 0.00 C ATOM 240 O GLU A 17 -0.543 15.152 -3.114 1.00 0.00 O ATOM 241 CB GLU A 17 2.344 15.162 -3.017 1.00 0.00 C ATOM 242 CG GLU A 17 3.733 15.596 -2.519 1.00 0.00 C ATOM 243 CD GLU A 17 4.647 15.972 -3.682 1.00 0.00 C ATOM 244 OE1 GLU A 17 4.427 17.063 -4.248 1.00 0.00 O ATOM 245 OE2 GLU A 17 5.542 15.155 -3.995 1.00 0.00 O ATOM 0 H GLU A 17 2.776 13.062 -1.869 1.00 0.00 H new ATOM 0 HA GLU A 17 1.294 15.424 -1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.459 14.375 -3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.860 16.003 -3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.631 16.446 -1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.185 14.787 -1.945 1.00 0.00 H new ATOM 252 N SER A 18 -0.516 13.134 -2.151 1.00 0.00 N ATOM 253 CA SER A 18 -1.834 12.780 -2.669 1.00 0.00 C ATOM 254 C SER A 18 -2.924 13.580 -1.958 1.00 0.00 C ATOM 255 O SER A 18 -2.850 13.818 -0.754 1.00 0.00 O ATOM 256 CB SER A 18 -2.102 11.284 -2.489 1.00 0.00 C ATOM 257 OG SER A 18 -3.302 10.918 -3.149 1.00 0.00 O ATOM 0 H SER A 18 -0.075 12.411 -1.582 1.00 0.00 H new ATOM 0 HA SER A 18 -1.850 13.020 -3.732 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.268 10.707 -2.889 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.175 11.045 -1.428 1.00 0.00 H new ATOM 0 HG SER A 18 -4.013 10.788 -2.487 1.00 0.00 H new ATOM 263 N SER A 19 -3.955 13.969 -2.707 1.00 0.00 N ATOM 264 CA SER A 19 -5.118 14.672 -2.206 1.00 0.00 C ATOM 265 C SER A 19 -6.085 13.653 -1.601 1.00 0.00 C ATOM 266 O SER A 19 -6.407 13.702 -0.417 1.00 0.00 O ATOM 267 CB SER A 19 -5.753 15.402 -3.393 1.00 0.00 C ATOM 268 OG SER A 19 -5.765 14.529 -4.514 1.00 0.00 O ATOM 0 H SER A 19 -3.998 13.794 -3.711 1.00 0.00 H new ATOM 0 HA SER A 19 -4.857 15.393 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.768 15.713 -3.146 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.190 16.306 -3.625 1.00 0.00 H new ATOM 0 HG SER A 19 -6.171 14.986 -5.280 1.00 0.00 H new ATOM 274 N VAL A 20 -6.539 12.724 -2.443 1.00 0.00 N ATOM 275 CA VAL A 20 -7.469 11.664 -2.070 1.00 0.00 C ATOM 276 C VAL A 20 -6.706 10.545 -1.342 1.00 0.00 C ATOM 277 O VAL A 20 -5.473 10.499 -1.432 1.00 0.00 O ATOM 278 CB VAL A 20 -8.171 11.129 -3.336 1.00 0.00 C ATOM 279 CG1 VAL A 20 -8.919 12.251 -4.068 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.209 10.427 -4.307 1.00 0.00 C ATOM 0 H VAL A 20 -6.263 12.689 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.230 12.054 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.885 10.382 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.404 11.846 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.672 12.678 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.213 13.027 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.763 10.074 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.440 11.129 -4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.741 9.580 -3.806 1.00 0.00 H new ATOM 290 N PRO A 21 -7.403 9.658 -0.607 1.00 0.00 N ATOM 291 CA PRO A 21 -6.782 8.533 0.069 1.00 0.00 C ATOM 292 C PRO A 21 -5.901 7.676 -0.844 1.00 0.00 C ATOM 293 O PRO A 21 -6.038 7.669 -2.066 1.00 0.00 O ATOM 294 CB PRO A 21 -7.925 7.694 0.633 1.00 0.00 C ATOM 295 CG PRO A 21 -9.008 8.728 0.901 1.00 0.00 C ATOM 296 CD PRO A 21 -8.798 9.777 -0.195 1.00 0.00 C ATOM 0 HA PRO A 21 -6.111 8.907 0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.257 6.936 -0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.631 7.172 1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.003 8.287 0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.907 9.164 1.895 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.469 9.602 -1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.010 10.779 0.179 1.00 0.00 H new ATOM 304 N VAL A 22 -5.011 6.909 -0.219 1.00 0.00 N ATOM 305 CA VAL A 22 -4.037 6.051 -0.875 1.00 0.00 C ATOM 306 C VAL A 22 -3.885 4.775 -0.050 1.00 0.00 C ATOM 307 O VAL A 22 -4.004 4.819 1.175 1.00 0.00 O ATOM 308 CB VAL A 22 -2.678 6.777 -0.986 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.676 6.048 -1.887 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.821 8.225 -1.465 1.00 0.00 C ATOM 0 H VAL A 22 -4.949 6.869 0.798 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.376 5.805 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.286 6.778 0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.743 6.610 -1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.485 5.052 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.086 5.963 -2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.836 8.687 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.288 8.238 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.441 8.781 -0.762 1.00 0.00 H new ATOM 320 N LEU A 23 -3.616 3.652 -0.716 1.00 0.00 N ATOM 321 CA LEU A 23 -3.326 2.368 -0.086 1.00 0.00 C ATOM 322 C LEU A 23 -2.021 1.873 -0.675 1.00 0.00 C ATOM 323 O LEU A 23 -2.015 1.526 -1.851 1.00 0.00 O ATOM 324 CB LEU A 23 -4.444 1.354 -0.370 1.00 0.00 C ATOM 325 CG LEU A 23 -4.255 0.022 0.385 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.615 -0.647 0.604 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.355 -0.976 -0.362 1.00 0.00 C ATOM 0 H LEU A 23 -3.594 3.611 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.256 2.483 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.403 1.791 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.484 1.156 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.773 0.274 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.476 -1.587 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.254 0.012 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.084 -0.843 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.263 -1.891 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.795 -1.208 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.368 -0.538 -0.507 1.00 0.00 H new ATOM 339 N VAL A 24 -0.931 1.830 0.093 1.00 0.00 N ATOM 340 CA VAL A 24 0.328 1.315 -0.429 1.00 0.00 C ATOM 341 C VAL A 24 0.593 -0.041 0.213 1.00 0.00 C ATOM 342 O VAL A 24 0.341 -0.214 1.409 1.00 0.00 O ATOM 343 CB VAL A 24 1.506 2.280 -0.197 1.00 0.00 C ATOM 344 CG1 VAL A 24 1.133 3.735 -0.505 1.00 0.00 C ATOM 345 CG2 VAL A 24 2.149 2.131 1.186 1.00 0.00 C ATOM 0 H VAL A 24 -0.897 2.141 1.064 1.00 0.00 H new ATOM 0 HA VAL A 24 0.241 1.210 -1.511 1.00 0.00 H new ATOM 0 HB VAL A 24 2.272 1.987 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.995 4.377 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.827 3.819 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.311 4.044 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.971 2.840 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.405 2.331 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.529 1.116 1.303 1.00 0.00 H new ATOM 355 N ASP A 25 1.095 -0.989 -0.579 1.00 0.00 N ATOM 356 CA ASP A 25 1.574 -2.272 -0.094 1.00 0.00 C ATOM 357 C ASP A 25 3.090 -2.300 -0.285 1.00 0.00 C ATOM 358 O ASP A 25 3.578 -2.145 -1.405 1.00 0.00 O ATOM 359 CB ASP A 25 0.902 -3.435 -0.830 1.00 0.00 C ATOM 360 CG ASP A 25 1.545 -4.769 -0.447 1.00 0.00 C ATOM 361 OD1 ASP A 25 1.750 -4.978 0.770 1.00 0.00 O ATOM 362 OD2 ASP A 25 1.828 -5.551 -1.380 1.00 0.00 O ATOM 0 H ASP A 25 1.179 -0.880 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 25 1.323 -2.390 0.960 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.161 -3.457 -0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.982 -3.284 -1.907 1.00 0.00 H new ATOM 367 N PHE A 26 3.852 -2.464 0.793 1.00 0.00 N ATOM 368 CA PHE A 26 5.299 -2.580 0.699 1.00 0.00 C ATOM 369 C PHE A 26 5.570 -4.016 0.269 1.00 0.00 C ATOM 370 O PHE A 26 5.253 -4.934 1.025 1.00 0.00 O ATOM 371 CB PHE A 26 5.947 -2.276 2.052 1.00 0.00 C ATOM 372 CG PHE A 26 6.032 -0.800 2.389 1.00 0.00 C ATOM 373 CD1 PHE A 26 4.880 -0.073 2.741 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.277 -0.147 2.346 1.00 0.00 C ATOM 375 CE1 PHE A 26 4.976 1.294 3.052 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.378 1.209 2.702 1.00 0.00 C ATOM 377 CZ PHE A 26 6.226 1.933 3.051 1.00 0.00 C ATOM 0 H PHE A 26 3.487 -2.519 1.744 1.00 0.00 H new ATOM 0 HA PHE A 26 5.720 -1.870 -0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.381 -2.783 2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.952 -2.697 2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.920 -0.567 2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.159 -0.690 2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.085 1.855 3.293 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.343 1.695 2.707 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.302 2.977 3.317 1.00 0.00 H new ATOM 387 N TRP A 27 6.108 -4.206 -0.938 1.00 0.00 N ATOM 388 CA TRP A 27 6.364 -5.527 -1.491 1.00 0.00 C ATOM 389 C TRP A 27 7.813 -5.636 -1.949 1.00 0.00 C ATOM 390 O TRP A 27 8.630 -4.740 -1.734 1.00 0.00 O ATOM 391 CB TRP A 27 5.416 -5.791 -2.673 1.00 0.00 C ATOM 392 CG TRP A 27 5.788 -5.069 -3.928 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.702 -3.738 -4.109 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.467 -5.586 -5.108 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.369 -3.372 -5.261 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.895 -4.479 -5.898 1.00 0.00 C ATOM 397 CE3 TRP A 27 6.819 -6.874 -5.565 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.687 -4.644 -7.044 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.515 -7.048 -6.773 1.00 0.00 C ATOM 400 CH2 TRP A 27 7.974 -5.938 -7.499 1.00 0.00 C ATOM 0 H TRP A 27 6.377 -3.442 -1.557 1.00 0.00 H new ATOM 0 HA TRP A 27 6.186 -6.274 -0.717 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.395 -6.862 -2.875 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.405 -5.501 -2.386 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.186 -3.056 -3.449 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.461 -2.413 -5.597 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.549 -7.739 -4.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.072 -3.783 -7.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.698 -8.045 -7.146 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.546 -6.080 -8.404 1.00 0.00 H new ATOM 411 N ALA A 28 8.134 -6.738 -2.621 1.00 0.00 N ATOM 412 CA ALA A 28 9.416 -6.973 -3.266 1.00 0.00 C ATOM 413 C ALA A 28 9.279 -8.234 -4.113 1.00 0.00 C ATOM 414 O ALA A 28 8.467 -9.092 -3.773 1.00 0.00 O ATOM 415 CB ALA A 28 10.532 -7.171 -2.238 1.00 0.00 C ATOM 0 H ALA A 28 7.485 -7.516 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 28 9.679 -6.108 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.476 -7.344 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.617 -6.279 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.299 -8.031 -1.609 1.00 0.00 H new ATOM 421 N PRO A 29 10.043 -8.396 -5.199 1.00 0.00 N ATOM 422 CA PRO A 29 9.983 -9.590 -6.028 1.00 0.00 C ATOM 423 C PRO A 29 10.154 -10.877 -5.219 1.00 0.00 C ATOM 424 O PRO A 29 9.391 -11.820 -5.409 1.00 0.00 O ATOM 425 CB PRO A 29 11.043 -9.389 -7.106 1.00 0.00 C ATOM 426 CG PRO A 29 11.946 -8.274 -6.570 1.00 0.00 C ATOM 427 CD PRO A 29 10.949 -7.428 -5.784 1.00 0.00 C ATOM 0 HA PRO A 29 9.000 -9.719 -6.482 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.608 -10.305 -7.280 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.591 -9.108 -8.057 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.744 -8.661 -5.937 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.421 -7.709 -7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.448 -6.835 -5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.421 -6.730 -6.433 1.00 0.00 H new ATOM 435 N TRP A 30 11.092 -10.913 -4.273 1.00 0.00 N ATOM 436 CA TRP A 30 11.279 -12.089 -3.429 1.00 0.00 C ATOM 437 C TRP A 30 10.105 -12.301 -2.455 1.00 0.00 C ATOM 438 O TRP A 30 9.985 -13.372 -1.861 1.00 0.00 O ATOM 439 CB TRP A 30 12.620 -11.966 -2.689 1.00 0.00 C ATOM 440 CG TRP A 30 12.923 -10.654 -2.023 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.782 -9.721 -2.493 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.427 -10.128 -0.754 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.848 -8.654 -1.622 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.021 -8.848 -0.533 1.00 0.00 C ATOM 445 CE3 TRP A 30 11.547 -10.606 0.240 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.731 -8.073 0.601 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.254 -9.840 1.383 1.00 0.00 C ATOM 448 CH2 TRP A 30 11.826 -8.567 1.555 1.00 0.00 C ATOM 0 H TRP A 30 11.731 -10.144 -4.074 1.00 0.00 H new ATOM 0 HA TRP A 30 11.300 -12.975 -4.064 1.00 0.00 H new ATOM 0 HB2 TRP A 30 12.658 -12.747 -1.929 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.418 -12.175 -3.401 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.336 -9.800 -3.417 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.431 -7.829 -1.763 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.090 -11.577 0.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.198 -7.109 0.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.585 -10.233 2.134 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.570 -7.971 2.418 1.00 0.00 H new ATOM 459 N CYS A 31 9.216 -11.320 -2.282 1.00 0.00 N ATOM 460 CA CYS A 31 8.116 -11.424 -1.331 1.00 0.00 C ATOM 461 C CYS A 31 6.967 -12.292 -1.861 1.00 0.00 C ATOM 462 O CYS A 31 5.944 -11.787 -2.326 1.00 0.00 O ATOM 463 CB CYS A 31 7.604 -10.036 -0.956 1.00 0.00 C ATOM 464 SG CYS A 31 6.333 -10.114 0.321 1.00 0.00 S ATOM 0 H CYS A 31 9.241 -10.439 -2.795 1.00 0.00 H new ATOM 0 HA CYS A 31 8.507 -11.916 -0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.435 -9.425 -0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.200 -9.546 -1.842 1.00 0.00 H new ATOM 469 N GLY A 32 7.122 -13.613 -1.752 1.00 0.00 N ATOM 470 CA GLY A 32 6.079 -14.585 -2.078 1.00 0.00 C ATOM 471 C GLY A 32 4.684 -14.170 -1.585 1.00 0.00 C ATOM 472 O GLY A 32 3.764 -14.082 -2.400 1.00 0.00 O ATOM 0 H GLY A 32 7.989 -14.043 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.048 -14.725 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.340 -15.548 -1.639 1.00 0.00 H new ATOM 476 N PRO A 33 4.491 -13.905 -0.276 1.00 0.00 N ATOM 477 CA PRO A 33 3.191 -13.505 0.246 1.00 0.00 C ATOM 478 C PRO A 33 2.655 -12.238 -0.429 1.00 0.00 C ATOM 479 O PRO A 33 1.444 -12.079 -0.550 1.00 0.00 O ATOM 480 CB PRO A 33 3.362 -13.340 1.757 1.00 0.00 C ATOM 481 CG PRO A 33 4.868 -13.215 1.968 1.00 0.00 C ATOM 482 CD PRO A 33 5.444 -14.036 0.820 1.00 0.00 C ATOM 0 HA PRO A 33 2.439 -14.264 0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.837 -12.456 2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.957 -14.196 2.297 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.197 -12.177 1.926 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.174 -13.607 2.938 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.428 -13.667 0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.568 -15.080 1.109 1.00 0.00 H new ATOM 490 N CYS A 34 3.534 -11.340 -0.881 1.00 0.00 N ATOM 491 CA CYS A 34 3.115 -10.136 -1.588 1.00 0.00 C ATOM 492 C CYS A 34 2.585 -10.554 -2.959 1.00 0.00 C ATOM 493 O CYS A 34 1.500 -10.154 -3.382 1.00 0.00 O ATOM 494 CB CYS A 34 4.250 -9.129 -1.739 1.00 0.00 C ATOM 495 SG CYS A 34 5.046 -8.576 -0.211 1.00 0.00 S ATOM 0 H CYS A 34 4.544 -11.428 -0.767 1.00 0.00 H new ATOM 0 HA CYS A 34 2.338 -9.638 -1.008 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.013 -9.568 -2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.862 -8.253 -2.258 1.00 0.00 H new ATOM 500 N ARG A 35 3.361 -11.394 -3.651 1.00 0.00 N ATOM 501 CA ARG A 35 3.029 -11.891 -4.980 1.00 0.00 C ATOM 502 C ARG A 35 1.612 -12.439 -5.036 1.00 0.00 C ATOM 503 O ARG A 35 0.857 -12.105 -5.944 1.00 0.00 O ATOM 504 CB ARG A 35 4.019 -12.996 -5.384 1.00 0.00 C ATOM 505 CG ARG A 35 4.105 -13.244 -6.902 1.00 0.00 C ATOM 506 CD ARG A 35 4.369 -11.992 -7.757 1.00 0.00 C ATOM 507 NE ARG A 35 5.195 -11.001 -7.057 1.00 0.00 N ATOM 508 CZ ARG A 35 6.396 -11.246 -6.525 1.00 0.00 C ATOM 509 NH1 ARG A 35 7.162 -12.238 -6.984 1.00 0.00 N ATOM 510 NH2 ARG A 35 6.801 -10.518 -5.485 1.00 0.00 N ATOM 0 H ARG A 35 4.248 -11.750 -3.295 1.00 0.00 H new ATOM 0 HA ARG A 35 3.097 -11.054 -5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.010 -12.733 -5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.730 -13.925 -4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.898 -13.967 -7.091 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.172 -13.700 -7.233 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.864 -12.285 -8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.418 -11.538 -8.034 1.00 0.00 H new ATOM 0 HE ARG A 35 4.825 -10.055 -6.970 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.833 -12.823 -7.752 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.076 -12.411 -6.566 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.197 -9.788 -5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.715 -10.691 -5.066 1.00 0.00 H new ATOM 524 N ILE A 36 1.250 -13.284 -4.070 1.00 0.00 N ATOM 525 CA ILE A 36 -0.066 -13.911 -4.095 1.00 0.00 C ATOM 526 C ILE A 36 -1.206 -12.923 -3.784 1.00 0.00 C ATOM 527 O ILE A 36 -2.335 -13.213 -4.176 1.00 0.00 O ATOM 528 CB ILE A 36 -0.081 -15.217 -3.268 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.408 -15.117 -1.814 1.00 0.00 C ATOM 530 CG2 ILE A 36 0.824 -16.235 -3.980 1.00 0.00 C ATOM 531 CD1 ILE A 36 -0.630 -14.503 -0.876 1.00 0.00 C ATOM 0 H ILE A 36 1.837 -13.544 -3.278 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.274 -14.219 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.132 -15.501 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.670 -16.112 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.318 -14.517 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.833 -17.169 -3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.444 -16.420 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.838 -15.839 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.226 -14.459 0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.874 -13.496 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.532 -15.115 -0.880 1.00 0.00 H new ATOM 543 N ILE A 37 -0.968 -11.768 -3.136 1.00 0.00 N ATOM 544 CA ILE A 37 -2.041 -10.781 -2.943 1.00 0.00 C ATOM 545 C ILE A 37 -2.076 -9.797 -4.120 1.00 0.00 C ATOM 546 O ILE A 37 -3.147 -9.297 -4.456 1.00 0.00 O ATOM 547 CB ILE A 37 -1.945 -10.025 -1.598 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.617 -9.277 -1.413 1.00 0.00 C ATOM 549 CG2 ILE A 37 -2.167 -10.989 -0.424 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.613 -8.369 -0.181 1.00 0.00 C ATOM 0 H ILE A 37 -0.064 -11.501 -2.746 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.976 -11.340 -2.909 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.732 -9.272 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.193 -10.001 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.416 -8.677 -2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.096 -10.441 0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.155 -11.441 -0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.407 -11.770 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.351 -7.867 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.403 -7.624 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.784 -8.968 0.713 1.00 0.00 H new ATOM 562 N ALA A 38 -0.934 -9.543 -4.768 1.00 0.00 N ATOM 563 CA ALA A 38 -0.784 -8.577 -5.854 1.00 0.00 C ATOM 564 C ALA A 38 -1.961 -8.533 -6.851 1.00 0.00 C ATOM 565 O ALA A 38 -2.427 -7.430 -7.137 1.00 0.00 O ATOM 566 CB ALA A 38 0.545 -8.825 -6.581 1.00 0.00 C ATOM 0 H ALA A 38 -0.062 -10.021 -4.541 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.784 -7.592 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.657 -8.104 -7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.371 -8.712 -5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.553 -9.835 -6.990 1.00 0.00 H new ATOM 572 N PRO A 39 -2.484 -9.659 -7.375 1.00 0.00 N ATOM 573 CA PRO A 39 -3.594 -9.637 -8.317 1.00 0.00 C ATOM 574 C PRO A 39 -4.827 -9.010 -7.666 1.00 0.00 C ATOM 575 O PRO A 39 -5.561 -8.251 -8.297 1.00 0.00 O ATOM 576 CB PRO A 39 -3.856 -11.097 -8.715 1.00 0.00 C ATOM 577 CG PRO A 39 -2.571 -11.820 -8.314 1.00 0.00 C ATOM 578 CD PRO A 39 -2.151 -11.038 -7.075 1.00 0.00 C ATOM 0 HA PRO A 39 -3.362 -9.036 -9.196 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.723 -11.504 -8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.052 -11.192 -9.783 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.745 -12.873 -8.094 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.816 -11.779 -9.099 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.680 -11.388 -6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.085 -11.153 -6.877 1.00 0.00 H new ATOM 586 N VAL A 40 -5.045 -9.330 -6.387 1.00 0.00 N ATOM 587 CA VAL A 40 -6.152 -8.764 -5.635 1.00 0.00 C ATOM 588 C VAL A 40 -5.888 -7.285 -5.440 1.00 0.00 C ATOM 589 O VAL A 40 -6.789 -6.474 -5.628 1.00 0.00 O ATOM 590 CB VAL A 40 -6.340 -9.411 -4.261 1.00 0.00 C ATOM 591 CG1 VAL A 40 -7.636 -8.902 -3.616 1.00 0.00 C ATOM 592 CG2 VAL A 40 -6.469 -10.909 -4.408 1.00 0.00 C ATOM 0 H VAL A 40 -4.465 -9.980 -5.856 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.063 -8.948 -6.205 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.477 -9.157 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.763 -9.367 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.583 -7.820 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.484 -9.157 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.602 -11.361 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.331 -11.140 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.567 -11.308 -4.871 1.00 0.00 H new ATOM 602 N VAL A 41 -4.659 -6.940 -5.038 1.00 0.00 N ATOM 603 CA VAL A 41 -4.311 -5.549 -4.805 1.00 0.00 C ATOM 604 C VAL A 41 -4.674 -4.747 -6.064 1.00 0.00 C ATOM 605 O VAL A 41 -5.243 -3.661 -5.969 1.00 0.00 O ATOM 606 CB VAL A 41 -2.822 -5.388 -4.424 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.460 -3.917 -4.170 1.00 0.00 C ATOM 608 CG2 VAL A 41 -2.455 -6.169 -3.155 1.00 0.00 C ATOM 0 H VAL A 41 -3.902 -7.603 -4.871 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.876 -5.165 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.265 -5.781 -5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.405 -3.842 -3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.649 -3.335 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.068 -3.528 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.398 -6.023 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.056 -5.810 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.649 -7.230 -3.312 1.00 0.00 H new ATOM 618 N ASP A 42 -4.372 -5.313 -7.238 1.00 0.00 N ATOM 619 CA ASP A 42 -4.708 -4.721 -8.522 1.00 0.00 C ATOM 620 C ASP A 42 -6.222 -4.660 -8.745 1.00 0.00 C ATOM 621 O ASP A 42 -6.760 -3.562 -8.844 1.00 0.00 O ATOM 622 CB ASP A 42 -4.030 -5.500 -9.655 1.00 0.00 C ATOM 623 CG ASP A 42 -2.592 -5.049 -9.865 1.00 0.00 C ATOM 624 OD1 ASP A 42 -2.416 -3.851 -10.184 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.676 -5.888 -9.740 1.00 0.00 O ATOM 0 H ASP A 42 -3.882 -6.204 -7.316 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.339 -3.695 -8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.048 -6.565 -9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.593 -5.363 -10.578 1.00 0.00 H new ATOM 630 N GLU A 43 -6.933 -5.787 -8.856 1.00 0.00 N ATOM 631 CA GLU A 43 -8.356 -5.731 -9.175 1.00 0.00 C ATOM 632 C GLU A 43 -9.132 -4.874 -8.164 1.00 0.00 C ATOM 633 O GLU A 43 -9.954 -4.043 -8.558 1.00 0.00 O ATOM 634 CB GLU A 43 -8.921 -7.146 -9.341 1.00 0.00 C ATOM 635 CG GLU A 43 -8.765 -8.061 -8.119 1.00 0.00 C ATOM 636 CD GLU A 43 -10.101 -8.567 -7.587 1.00 0.00 C ATOM 637 OE1 GLU A 43 -10.897 -7.705 -7.153 1.00 0.00 O ATOM 638 OE2 GLU A 43 -10.302 -9.801 -7.626 1.00 0.00 O ATOM 0 H GLU A 43 -6.555 -6.726 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.482 -5.228 -10.134 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.981 -7.070 -9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.431 -7.618 -10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.139 -8.913 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.246 -7.519 -7.329 1.00 0.00 H new ATOM 645 N ILE A 44 -8.835 -5.010 -6.868 1.00 0.00 N ATOM 646 CA ILE A 44 -9.516 -4.190 -5.873 1.00 0.00 C ATOM 647 C ILE A 44 -9.206 -2.701 -6.097 1.00 0.00 C ATOM 648 O ILE A 44 -10.031 -1.854 -5.745 1.00 0.00 O ATOM 649 CB ILE A 44 -9.204 -4.700 -4.455 1.00 0.00 C ATOM 650 CG1 ILE A 44 -9.858 -6.092 -4.323 1.00 0.00 C ATOM 651 CG2 ILE A 44 -9.759 -3.741 -3.395 1.00 0.00 C ATOM 652 CD1 ILE A 44 -9.951 -6.604 -2.886 1.00 0.00 C ATOM 0 H ILE A 44 -8.146 -5.663 -6.494 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.596 -4.283 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.127 -4.760 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.861 -6.052 -4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.288 -6.807 -4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.526 -4.123 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.306 -2.758 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.840 -3.660 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.422 -7.587 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.950 -6.679 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.547 -5.912 -2.291 1.00 0.00 H new ATOM 664 N ALA A 45 -8.064 -2.344 -6.701 1.00 0.00 N ATOM 665 CA ALA A 45 -7.793 -0.950 -7.040 1.00 0.00 C ATOM 666 C ALA A 45 -8.891 -0.442 -7.971 1.00 0.00 C ATOM 667 O ALA A 45 -9.382 0.670 -7.811 1.00 0.00 O ATOM 668 CB ALA A 45 -6.440 -0.801 -7.740 1.00 0.00 C ATOM 0 H ALA A 45 -7.324 -2.996 -6.960 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.770 -0.370 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.268 0.248 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.648 -1.158 -7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.439 -1.387 -8.659 1.00 0.00 H new ATOM 674 N GLY A 46 -9.270 -1.273 -8.947 1.00 0.00 N ATOM 675 CA GLY A 46 -10.343 -0.959 -9.870 1.00 0.00 C ATOM 676 C GLY A 46 -11.640 -0.757 -9.090 1.00 0.00 C ATOM 677 O GLY A 46 -12.348 0.224 -9.302 1.00 0.00 O ATOM 0 H GLY A 46 -8.835 -2.181 -9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.101 -0.058 -10.434 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.463 -1.765 -10.594 1.00 0.00 H new ATOM 681 N GLU A 47 -11.948 -1.679 -8.171 1.00 0.00 N ATOM 682 CA GLU A 47 -13.159 -1.599 -7.376 1.00 0.00 C ATOM 683 C GLU A 47 -13.239 -0.301 -6.569 1.00 0.00 C ATOM 684 O GLU A 47 -14.258 0.383 -6.611 1.00 0.00 O ATOM 685 CB GLU A 47 -13.246 -2.814 -6.445 1.00 0.00 C ATOM 686 CG GLU A 47 -13.232 -4.168 -7.176 1.00 0.00 C ATOM 687 CD GLU A 47 -14.410 -4.386 -8.125 1.00 0.00 C ATOM 688 OE1 GLU A 47 -15.376 -3.593 -8.057 1.00 0.00 O ATOM 689 OE2 GLU A 47 -14.317 -5.356 -8.907 1.00 0.00 O ATOM 0 H GLU A 47 -11.365 -2.491 -7.965 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.007 -1.600 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.411 -2.782 -5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.159 -2.741 -5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.305 -4.252 -7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.226 -4.967 -6.435 1.00 0.00 H new ATOM 696 N TYR A 48 -12.179 0.030 -5.829 1.00 0.00 N ATOM 697 CA TYR A 48 -12.134 1.215 -4.971 1.00 0.00 C ATOM 698 C TYR A 48 -11.437 2.402 -5.651 1.00 0.00 C ATOM 699 O TYR A 48 -10.801 3.223 -4.984 1.00 0.00 O ATOM 700 CB TYR A 48 -11.442 0.863 -3.643 1.00 0.00 C ATOM 701 CG TYR A 48 -11.996 -0.326 -2.874 1.00 0.00 C ATOM 702 CD1 TYR A 48 -13.368 -0.648 -2.909 1.00 0.00 C ATOM 703 CD2 TYR A 48 -11.135 -1.057 -2.035 1.00 0.00 C ATOM 704 CE1 TYR A 48 -13.859 -1.731 -2.157 1.00 0.00 C ATOM 705 CE2 TYR A 48 -11.626 -2.141 -1.289 1.00 0.00 C ATOM 706 CZ TYR A 48 -12.982 -2.490 -1.365 1.00 0.00 C ATOM 707 OH TYR A 48 -13.436 -3.559 -0.656 1.00 0.00 O ATOM 0 H TYR A 48 -11.321 -0.521 -5.808 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.160 1.527 -4.776 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.389 0.673 -3.849 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.487 1.738 -2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.044 -0.062 -3.514 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.093 -0.784 -1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -14.910 -1.979 -2.189 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.958 -2.707 -0.656 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.307 -3.344 -0.262 1.00 0.00 H new ATOM 717 N LYS A 49 -11.581 2.512 -6.974 1.00 0.00 N ATOM 718 CA LYS A 49 -10.976 3.584 -7.747 1.00 0.00 C ATOM 719 C LYS A 49 -11.475 4.951 -7.285 1.00 0.00 C ATOM 720 O LYS A 49 -12.442 5.064 -6.531 1.00 0.00 O ATOM 721 CB LYS A 49 -11.272 3.386 -9.241 1.00 0.00 C ATOM 722 CG LYS A 49 -12.776 3.353 -9.559 1.00 0.00 C ATOM 723 CD LYS A 49 -12.999 3.003 -11.035 1.00 0.00 C ATOM 724 CE LYS A 49 -14.499 2.884 -11.325 1.00 0.00 C ATOM 725 NZ LYS A 49 -14.747 2.493 -12.724 1.00 0.00 N ATOM 0 H LYS A 49 -12.123 1.855 -7.535 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.898 3.551 -7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.805 4.191 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.816 2.454 -9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.273 2.619 -8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.223 4.322 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.557 3.771 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.498 2.065 -11.274 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.943 2.147 -10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.987 3.837 -11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.771 2.421 -12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.344 3.209 -13.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.301 1.572 -12.911 1.00 0.00 H new ATOM 739 N ASP A 50 -10.799 5.989 -7.780 1.00 0.00 N ATOM 740 CA ASP A 50 -11.051 7.408 -7.539 1.00 0.00 C ATOM 741 C ASP A 50 -10.660 7.818 -6.127 1.00 0.00 C ATOM 742 O ASP A 50 -9.820 8.692 -5.933 1.00 0.00 O ATOM 743 CB ASP A 50 -12.525 7.759 -7.784 1.00 0.00 C ATOM 744 CG ASP A 50 -12.748 9.259 -7.655 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.481 9.960 -8.654 1.00 0.00 O ATOM 746 OD2 ASP A 50 -13.176 9.673 -6.555 1.00 0.00 O ATOM 0 H ASP A 50 -10.005 5.848 -8.404 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.431 7.961 -8.244 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.823 7.426 -8.778 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.154 7.230 -7.068 1.00 0.00 H new ATOM 751 N LYS A 51 -11.273 7.166 -5.145 1.00 0.00 N ATOM 752 CA LYS A 51 -11.105 7.526 -3.746 1.00 0.00 C ATOM 753 C LYS A 51 -9.799 6.987 -3.174 1.00 0.00 C ATOM 754 O LYS A 51 -9.049 7.720 -2.535 1.00 0.00 O ATOM 755 CB LYS A 51 -12.288 6.994 -2.929 1.00 0.00 C ATOM 756 CG LYS A 51 -13.624 7.549 -3.441 1.00 0.00 C ATOM 757 CD LYS A 51 -14.770 7.285 -2.454 1.00 0.00 C ATOM 758 CE LYS A 51 -15.011 5.787 -2.232 1.00 0.00 C ATOM 759 NZ LYS A 51 -16.174 5.553 -1.359 1.00 0.00 N ATOM 0 H LYS A 51 -11.899 6.375 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.070 8.614 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.304 5.905 -2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.158 7.265 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.530 8.622 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.861 7.094 -4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.542 7.760 -1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.684 7.746 -2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.170 5.296 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.124 5.336 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.310 4.530 -1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.010 6.001 -0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.024 5.962 -1.796 1.00 0.00 H new ATOM 773 N LEU A 52 -9.557 5.693 -3.383 1.00 0.00 N ATOM 774 CA LEU A 52 -8.418 4.997 -2.812 1.00 0.00 C ATOM 775 C LEU A 52 -7.370 4.733 -3.890 1.00 0.00 C ATOM 776 O LEU A 52 -7.527 3.844 -4.724 1.00 0.00 O ATOM 777 CB LEU A 52 -8.921 3.705 -2.161 1.00 0.00 C ATOM 778 CG LEU A 52 -7.865 3.039 -1.270 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.700 3.795 0.055 1.00 0.00 C ATOM 780 CD2 LEU A 52 -8.326 1.606 -0.985 1.00 0.00 C ATOM 0 H LEU A 52 -10.154 5.099 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.935 5.606 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.807 3.925 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.226 3.006 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.903 3.048 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.945 3.299 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.388 4.820 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.650 3.804 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.592 1.107 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.290 1.628 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.424 1.062 -1.924 1.00 0.00 H new ATOM 792 N LYS A 53 -6.273 5.482 -3.865 1.00 0.00 N ATOM 793 CA LYS A 53 -5.205 5.314 -4.833 1.00 0.00 C ATOM 794 C LYS A 53 -4.380 4.102 -4.391 1.00 0.00 C ATOM 795 O LYS A 53 -3.547 4.191 -3.494 1.00 0.00 O ATOM 796 CB LYS A 53 -4.397 6.617 -4.904 1.00 0.00 C ATOM 797 CG LYS A 53 -3.659 6.810 -6.238 1.00 0.00 C ATOM 798 CD LYS A 53 -2.457 5.869 -6.399 1.00 0.00 C ATOM 799 CE LYS A 53 -1.769 6.047 -7.757 1.00 0.00 C ATOM 800 NZ LYS A 53 -2.596 5.526 -8.861 1.00 0.00 N ATOM 0 H LYS A 53 -6.103 6.216 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.570 5.122 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.069 7.461 -4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.671 6.629 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.356 6.645 -7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.318 7.843 -6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.739 6.058 -5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.788 4.836 -6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.563 7.104 -7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.808 5.532 -7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.051 5.555 -9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.871 4.544 -8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.450 6.111 -8.961 1.00 0.00 H new ATOM 814 N CYS A 54 -4.629 2.944 -4.998 1.00 0.00 N ATOM 815 CA CYS A 54 -3.935 1.717 -4.628 1.00 0.00 C ATOM 816 C CYS A 54 -2.540 1.681 -5.256 1.00 0.00 C ATOM 817 O CYS A 54 -2.377 2.055 -6.422 1.00 0.00 O ATOM 818 CB CYS A 54 -4.762 0.525 -5.083 1.00 0.00 C ATOM 819 SG CYS A 54 -4.023 -0.961 -4.388 1.00 0.00 S ATOM 0 H CYS A 54 -5.309 2.832 -5.750 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.813 1.678 -3.546 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.795 0.628 -4.750 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.782 0.468 -6.171 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.480 -2.006 -5.012 1.00 0.00 H new ATOM 825 N VAL A 55 -1.529 1.257 -4.492 1.00 0.00 N ATOM 826 CA VAL A 55 -0.141 1.262 -4.938 1.00 0.00 C ATOM 827 C VAL A 55 0.679 0.144 -4.289 1.00 0.00 C ATOM 828 O VAL A 55 0.293 -0.429 -3.269 1.00 0.00 O ATOM 829 CB VAL A 55 0.535 2.627 -4.647 1.00 0.00 C ATOM 830 CG1 VAL A 55 1.140 3.190 -5.931 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.369 3.721 -4.072 1.00 0.00 C ATOM 0 H VAL A 55 -1.655 0.900 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.164 1.090 -6.014 1.00 0.00 H new ATOM 0 HB VAL A 55 1.274 2.389 -3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.613 4.149 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.885 2.495 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.354 3.329 -6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.214 4.627 -3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.178 3.930 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.788 3.385 -3.123 1.00 0.00 H new ATOM 841 N LYS A 56 1.843 -0.137 -4.879 1.00 0.00 N ATOM 842 CA LYS A 56 2.799 -1.133 -4.424 1.00 0.00 C ATOM 843 C LYS A 56 4.214 -0.535 -4.442 1.00 0.00 C ATOM 844 O LYS A 56 4.702 -0.146 -5.504 1.00 0.00 O ATOM 845 CB LYS A 56 2.675 -2.366 -5.334 1.00 0.00 C ATOM 846 CG LYS A 56 1.726 -3.387 -4.694 1.00 0.00 C ATOM 847 CD LYS A 56 1.414 -4.585 -5.599 1.00 0.00 C ATOM 848 CE LYS A 56 0.473 -4.204 -6.749 1.00 0.00 C ATOM 849 NZ LYS A 56 0.032 -5.395 -7.492 1.00 0.00 N ATOM 0 H LYS A 56 2.152 0.347 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 56 2.594 -1.438 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.300 -2.071 -6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.656 -2.815 -5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.167 -3.749 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.793 -2.888 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.343 -4.983 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.960 -5.379 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.395 -3.677 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.981 -3.517 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.446 -5.101 -8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.857 -5.982 -7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.627 -5.946 -6.906 1.00 0.00 H new ATOM 863 N LEU A 57 4.879 -0.452 -3.281 1.00 0.00 N ATOM 864 CA LEU A 57 6.229 0.099 -3.161 1.00 0.00 C ATOM 865 C LEU A 57 7.264 -1.019 -3.104 1.00 0.00 C ATOM 866 O LEU A 57 7.194 -1.896 -2.244 1.00 0.00 O ATOM 867 CB LEU A 57 6.349 0.977 -1.908 1.00 0.00 C ATOM 868 CG LEU A 57 7.721 1.675 -1.794 1.00 0.00 C ATOM 869 CD1 LEU A 57 7.655 3.127 -2.270 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.156 1.680 -0.333 1.00 0.00 C ATOM 0 H LEU A 57 4.489 -0.769 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 57 6.418 0.713 -4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.563 1.732 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.185 0.363 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 57 8.427 1.129 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.639 3.586 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.341 3.154 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.938 3.677 -1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.125 2.171 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.420 2.218 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.235 0.654 0.027 1.00 0.00 H new ATOM 882 N ASN A 58 8.243 -0.989 -4.013 1.00 0.00 N ATOM 883 CA ASN A 58 9.319 -1.969 -3.963 1.00 0.00 C ATOM 884 C ASN A 58 10.256 -1.601 -2.811 1.00 0.00 C ATOM 885 O ASN A 58 10.997 -0.624 -2.878 1.00 0.00 O ATOM 886 CB ASN A 58 10.054 -2.055 -5.296 1.00 0.00 C ATOM 887 CG ASN A 58 11.090 -3.177 -5.239 1.00 0.00 C ATOM 888 OD1 ASN A 58 11.959 -3.198 -4.374 1.00 0.00 O ATOM 889 ND2 ASN A 58 10.995 -4.146 -6.138 1.00 0.00 N ATOM 0 H ASN A 58 8.309 -0.312 -4.773 1.00 0.00 H new ATOM 0 HA ASN A 58 8.907 -2.962 -3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.345 -2.242 -6.102 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.543 -1.106 -5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.651 -4.926 -6.118 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.265 -4.111 -6.850 1.00 0.00 H new ATOM 896 N THR A 59 10.217 -2.412 -1.758 1.00 0.00 N ATOM 897 CA THR A 59 10.924 -2.189 -0.506 1.00 0.00 C ATOM 898 C THR A 59 12.440 -2.296 -0.698 1.00 0.00 C ATOM 899 O THR A 59 13.197 -1.541 -0.096 1.00 0.00 O ATOM 900 CB THR A 59 10.403 -3.207 0.526 1.00 0.00 C ATOM 901 OG1 THR A 59 8.988 -3.201 0.527 1.00 0.00 O ATOM 902 CG2 THR A 59 10.863 -2.877 1.947 1.00 0.00 C ATOM 0 H THR A 59 9.671 -3.274 -1.756 1.00 0.00 H new ATOM 0 HA THR A 59 10.735 -1.178 -0.145 1.00 0.00 H new ATOM 0 HB THR A 59 10.802 -4.180 0.239 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.658 -3.783 -0.189 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.471 -3.623 2.639 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.952 -2.882 1.987 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.494 -1.891 2.229 1.00 0.00 H new ATOM 910 N ASP A 60 12.879 -3.218 -1.557 1.00 0.00 N ATOM 911 CA ASP A 60 14.289 -3.476 -1.841 1.00 0.00 C ATOM 912 C ASP A 60 14.915 -2.266 -2.543 1.00 0.00 C ATOM 913 O ASP A 60 16.053 -1.882 -2.287 1.00 0.00 O ATOM 914 CB ASP A 60 14.365 -4.729 -2.722 1.00 0.00 C ATOM 915 CG ASP A 60 15.707 -5.446 -2.610 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.741 -4.813 -2.911 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.660 -6.632 -2.214 1.00 0.00 O ATOM 0 H ASP A 60 12.248 -3.819 -2.086 1.00 0.00 H new ATOM 0 HA ASP A 60 14.847 -3.640 -0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.566 -5.415 -2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.193 -4.449 -3.761 1.00 0.00 H new ATOM 922 N GLU A 61 14.119 -1.663 -3.429 1.00 0.00 N ATOM 923 CA GLU A 61 14.449 -0.486 -4.218 1.00 0.00 C ATOM 924 C GLU A 61 14.224 0.806 -3.417 1.00 0.00 C ATOM 925 O GLU A 61 14.815 1.839 -3.729 1.00 0.00 O ATOM 926 CB GLU A 61 13.554 -0.508 -5.463 1.00 0.00 C ATOM 927 CG GLU A 61 14.027 0.420 -6.584 1.00 0.00 C ATOM 928 CD GLU A 61 15.252 -0.133 -7.307 1.00 0.00 C ATOM 929 OE1 GLU A 61 15.060 -1.089 -8.090 1.00 0.00 O ATOM 930 OE2 GLU A 61 16.352 0.406 -7.063 1.00 0.00 O ATOM 0 H GLU A 61 13.178 -2.005 -3.622 1.00 0.00 H new ATOM 0 HA GLU A 61 15.503 -0.505 -4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.505 -1.528 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.541 -0.227 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.218 0.564 -7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.263 1.399 -6.168 1.00 0.00 H new ATOM 937 N SER A 62 13.332 0.772 -2.421 1.00 0.00 N ATOM 938 CA SER A 62 12.964 1.902 -1.576 1.00 0.00 C ATOM 939 C SER A 62 13.195 1.623 -0.080 1.00 0.00 C ATOM 940 O SER A 62 12.293 1.869 0.730 1.00 0.00 O ATOM 941 CB SER A 62 11.491 2.208 -1.845 1.00 0.00 C ATOM 942 OG SER A 62 11.149 3.449 -1.276 1.00 0.00 O ATOM 0 H SER A 62 12.829 -0.081 -2.176 1.00 0.00 H new ATOM 0 HA SER A 62 13.597 2.755 -1.820 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.304 2.226 -2.919 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.864 1.421 -1.426 1.00 0.00 H new ATOM 0 HG SER A 62 11.436 3.469 -0.339 1.00 0.00 H new ATOM 948 N PRO A 63 14.404 1.191 0.313 1.00 0.00 N ATOM 949 CA PRO A 63 14.762 0.916 1.693 1.00 0.00 C ATOM 950 C PRO A 63 14.688 2.191 2.527 1.00 0.00 C ATOM 951 O PRO A 63 14.492 2.129 3.737 1.00 0.00 O ATOM 952 CB PRO A 63 16.188 0.363 1.657 1.00 0.00 C ATOM 953 CG PRO A 63 16.770 0.952 0.375 1.00 0.00 C ATOM 954 CD PRO A 63 15.553 0.991 -0.545 1.00 0.00 C ATOM 0 HA PRO A 63 14.077 0.203 2.152 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.759 0.669 2.534 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.195 -0.727 1.637 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.189 1.945 0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.568 0.331 -0.032 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.641 1.798 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.461 0.062 -1.108 1.00 0.00 H new ATOM 962 N ASN A 64 14.857 3.345 1.878 1.00 0.00 N ATOM 963 CA ASN A 64 14.801 4.654 2.524 1.00 0.00 C ATOM 964 C ASN A 64 13.475 4.781 3.271 1.00 0.00 C ATOM 965 O ASN A 64 13.433 4.854 4.499 1.00 0.00 O ATOM 966 CB ASN A 64 14.959 5.770 1.476 1.00 0.00 C ATOM 967 CG ASN A 64 16.343 5.800 0.830 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.264 5.115 1.261 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.503 6.579 -0.234 1.00 0.00 N ATOM 0 H ASN A 64 15.039 3.395 0.876 1.00 0.00 H new ATOM 0 HA ASN A 64 15.619 4.753 3.237 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.206 5.639 0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.765 6.733 1.949 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.405 6.615 -0.709 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.724 7.141 -0.576 1.00 0.00 H new ATOM 976 N VAL A 65 12.383 4.746 2.508 1.00 0.00 N ATOM 977 CA VAL A 65 11.030 4.824 3.030 1.00 0.00 C ATOM 978 C VAL A 65 10.830 3.721 4.059 1.00 0.00 C ATOM 979 O VAL A 65 10.381 3.974 5.174 1.00 0.00 O ATOM 980 CB VAL A 65 10.033 4.686 1.873 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.591 4.753 2.374 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.257 5.804 0.855 1.00 0.00 C ATOM 0 H VAL A 65 12.421 4.661 1.492 1.00 0.00 H new ATOM 0 HA VAL A 65 10.864 5.786 3.515 1.00 0.00 H new ATOM 0 HB VAL A 65 10.198 3.715 1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.908 4.652 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.414 3.944 3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.421 5.711 2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.545 5.699 0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.114 6.770 1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.272 5.741 0.463 1.00 0.00 H new ATOM 992 N ALA A 66 11.166 2.493 3.667 1.00 0.00 N ATOM 993 CA ALA A 66 11.048 1.324 4.527 1.00 0.00 C ATOM 994 C ALA A 66 11.629 1.598 5.919 1.00 0.00 C ATOM 995 O ALA A 66 10.980 1.318 6.927 1.00 0.00 O ATOM 996 CB ALA A 66 11.740 0.124 3.877 1.00 0.00 C ATOM 0 H ALA A 66 11.530 2.283 2.737 1.00 0.00 H new ATOM 0 HA ALA A 66 9.990 1.095 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.647 -0.746 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.272 -0.089 2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.795 0.351 3.724 1.00 0.00 H new ATOM 1002 N SER A 67 12.836 2.165 5.971 1.00 0.00 N ATOM 1003 CA SER A 67 13.516 2.495 7.214 1.00 0.00 C ATOM 1004 C SER A 67 12.784 3.613 7.952 1.00 0.00 C ATOM 1005 O SER A 67 12.528 3.499 9.147 1.00 0.00 O ATOM 1006 CB SER A 67 14.966 2.899 6.923 1.00 0.00 C ATOM 1007 OG SER A 67 15.633 1.863 6.229 1.00 0.00 O ATOM 0 H SER A 67 13.371 2.409 5.138 1.00 0.00 H new ATOM 0 HA SER A 67 13.517 1.614 7.856 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.984 3.814 6.330 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.485 3.114 7.857 1.00 0.00 H new ATOM 0 HG SER A 67 15.318 1.835 5.301 1.00 0.00 H new ATOM 1013 N GLU A 68 12.454 4.693 7.240 1.00 0.00 N ATOM 1014 CA GLU A 68 11.765 5.851 7.803 1.00 0.00 C ATOM 1015 C GLU A 68 10.463 5.437 8.500 1.00 0.00 C ATOM 1016 O GLU A 68 10.185 5.880 9.611 1.00 0.00 O ATOM 1017 CB GLU A 68 11.467 6.860 6.687 1.00 0.00 C ATOM 1018 CG GLU A 68 12.741 7.524 6.145 1.00 0.00 C ATOM 1019 CD GLU A 68 12.510 8.133 4.764 1.00 0.00 C ATOM 1020 OE1 GLU A 68 11.434 8.746 4.584 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.407 7.969 3.909 1.00 0.00 O ATOM 0 H GLU A 68 12.661 4.787 6.246 1.00 0.00 H new ATOM 0 HA GLU A 68 12.413 6.310 8.550 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.949 6.354 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.793 7.628 7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.070 8.300 6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.542 6.786 6.089 1.00 0.00 H new ATOM 1028 N TYR A 69 9.660 4.604 7.836 1.00 0.00 N ATOM 1029 CA TYR A 69 8.382 4.141 8.361 1.00 0.00 C ATOM 1030 C TYR A 69 8.578 3.006 9.375 1.00 0.00 C ATOM 1031 O TYR A 69 7.779 2.866 10.297 1.00 0.00 O ATOM 1032 CB TYR A 69 7.493 3.698 7.194 1.00 0.00 C ATOM 1033 CG TYR A 69 6.755 4.848 6.527 1.00 0.00 C ATOM 1034 CD1 TYR A 69 7.426 5.681 5.612 1.00 0.00 C ATOM 1035 CD2 TYR A 69 5.440 5.168 6.917 1.00 0.00 C ATOM 1036 CE1 TYR A 69 6.776 6.798 5.061 1.00 0.00 C ATOM 1037 CE2 TYR A 69 4.786 6.283 6.361 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.458 7.098 5.433 1.00 0.00 C ATOM 1039 OH TYR A 69 4.847 8.200 4.914 1.00 0.00 O ATOM 0 H TYR A 69 9.883 4.231 6.913 1.00 0.00 H new ATOM 0 HA TYR A 69 7.894 4.959 8.891 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.108 3.191 6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.766 2.971 7.556 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.446 5.460 5.332 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.931 4.555 7.646 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.292 7.426 4.350 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.770 6.512 6.646 1.00 0.00 H new ATOM 0 HH TYR A 69 3.936 8.267 5.270 1.00 0.00 H new ATOM 1049 N GLY A 70 9.619 2.190 9.205 1.00 0.00 N ATOM 1050 CA GLY A 70 9.933 1.093 10.110 1.00 0.00 C ATOM 1051 C GLY A 70 9.185 -0.163 9.680 1.00 0.00 C ATOM 1052 O GLY A 70 8.499 -0.811 10.470 1.00 0.00 O ATOM 0 H GLY A 70 10.272 2.276 8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.007 0.906 10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.656 1.361 11.130 1.00 0.00 H new ATOM 1056 N ILE A 71 9.331 -0.515 8.403 1.00 0.00 N ATOM 1057 CA ILE A 71 8.665 -1.662 7.810 1.00 0.00 C ATOM 1058 C ILE A 71 9.330 -2.946 8.306 1.00 0.00 C ATOM 1059 O ILE A 71 10.178 -3.545 7.642 1.00 0.00 O ATOM 1060 CB ILE A 71 8.682 -1.511 6.282 1.00 0.00 C ATOM 1061 CG1 ILE A 71 7.997 -0.200 5.861 1.00 0.00 C ATOM 1062 CG2 ILE A 71 7.992 -2.697 5.595 1.00 0.00 C ATOM 1063 CD1 ILE A 71 6.493 -0.112 6.129 1.00 0.00 C ATOM 0 H ILE A 71 9.922 -0.003 7.749 1.00 0.00 H new ATOM 0 HA ILE A 71 7.620 -1.717 8.113 1.00 0.00 H new ATOM 0 HB ILE A 71 9.725 -1.489 5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.487 0.625 6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.165 -0.052 4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.021 -2.559 4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.509 -3.620 5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.955 -2.756 5.925 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.119 0.855 5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.980 -0.908 5.589 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.307 -0.220 7.198 1.00 0.00 H new ATOM 1075 N ARG A 72 8.902 -3.399 9.484 1.00 0.00 N ATOM 1076 CA ARG A 72 9.429 -4.600 10.104 1.00 0.00 C ATOM 1077 C ARG A 72 8.799 -5.825 9.434 1.00 0.00 C ATOM 1078 O ARG A 72 7.938 -6.486 10.011 1.00 0.00 O ATOM 1079 CB ARG A 72 9.157 -4.542 11.616 1.00 0.00 C ATOM 1080 CG ARG A 72 9.653 -5.801 12.347 1.00 0.00 C ATOM 1081 CD ARG A 72 9.926 -5.518 13.830 1.00 0.00 C ATOM 1082 NE ARG A 72 11.049 -4.587 14.017 1.00 0.00 N ATOM 1083 CZ ARG A 72 12.348 -4.906 13.918 1.00 0.00 C ATOM 1084 NH1 ARG A 72 12.721 -6.155 13.618 1.00 0.00 N ATOM 1085 NH2 ARG A 72 13.274 -3.963 14.120 1.00 0.00 N ATOM 0 H ARG A 72 8.177 -2.937 10.032 1.00 0.00 H new ATOM 0 HA ARG A 72 10.508 -4.675 9.969 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.646 -3.664 12.037 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.087 -4.424 11.786 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.909 -6.592 12.257 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.564 -6.165 11.871 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.030 -5.102 14.290 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.143 -6.455 14.344 1.00 0.00 H new ATOM 0 HE ARG A 72 10.821 -3.618 14.241 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.015 -6.875 13.462 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.711 -6.388 13.545 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.990 -3.010 14.347 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.264 -4.197 14.047 1.00 0.00 H new ATOM 1099 N SER A 73 9.285 -6.137 8.228 1.00 0.00 N ATOM 1100 CA SER A 73 8.910 -7.256 7.356 1.00 0.00 C ATOM 1101 C SER A 73 7.842 -6.814 6.350 1.00 0.00 C ATOM 1102 O SER A 73 7.246 -5.747 6.494 1.00 0.00 O ATOM 1103 CB SER A 73 8.432 -8.488 8.145 1.00 0.00 C ATOM 1104 OG SER A 73 9.291 -8.763 9.233 1.00 0.00 O ATOM 0 H SER A 73 10.013 -5.565 7.800 1.00 0.00 H new ATOM 0 HA SER A 73 9.809 -7.556 6.818 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.420 -8.318 8.511 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.390 -9.353 7.483 1.00 0.00 H new ATOM 0 HG SER A 73 8.963 -9.549 9.718 1.00 0.00 H new ATOM 1110 N ILE A 74 7.609 -7.632 5.317 1.00 0.00 N ATOM 1111 CA ILE A 74 6.616 -7.379 4.280 1.00 0.00 C ATOM 1112 C ILE A 74 5.855 -8.685 4.003 1.00 0.00 C ATOM 1113 O ILE A 74 6.416 -9.753 4.248 1.00 0.00 O ATOM 1114 CB ILE A 74 7.289 -6.808 3.016 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.453 -7.661 2.496 1.00 0.00 C ATOM 1116 CG2 ILE A 74 7.757 -5.374 3.299 1.00 0.00 C ATOM 1117 CD1 ILE A 74 8.895 -7.141 1.124 1.00 0.00 C ATOM 0 H ILE A 74 8.119 -8.505 5.181 1.00 0.00 H new ATOM 0 HA ILE A 74 5.900 -6.628 4.612 1.00 0.00 H new ATOM 0 HB ILE A 74 6.541 -6.817 2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.287 -7.623 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.147 -8.705 2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.234 -4.965 2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.899 -4.757 3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.471 -5.380 4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.722 -7.747 0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.060 -7.202 0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.217 -6.104 1.215 1.00 0.00 H new ATOM 1129 N PRO A 75 4.597 -8.650 3.523 1.00 0.00 N ATOM 1130 CA PRO A 75 3.825 -7.465 3.188 1.00 0.00 C ATOM 1131 C PRO A 75 3.452 -6.638 4.413 1.00 0.00 C ATOM 1132 O PRO A 75 3.250 -7.161 5.512 1.00 0.00 O ATOM 1133 CB PRO A 75 2.553 -7.957 2.501 1.00 0.00 C ATOM 1134 CG PRO A 75 2.356 -9.332 3.132 1.00 0.00 C ATOM 1135 CD PRO A 75 3.787 -9.839 3.314 1.00 0.00 C ATOM 0 HA PRO A 75 4.422 -6.815 2.549 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.707 -7.297 2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.673 -8.019 1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.827 -9.267 4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.774 -9.991 2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.858 -10.517 4.165 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.122 -10.393 2.437 1.00 0.00 H new ATOM 1143 N THR A 76 3.425 -5.331 4.178 1.00 0.00 N ATOM 1144 CA THR A 76 3.018 -4.316 5.122 1.00 0.00 C ATOM 1145 C THR A 76 2.206 -3.330 4.302 1.00 0.00 C ATOM 1146 O THR A 76 2.745 -2.690 3.397 1.00 0.00 O ATOM 1147 CB THR A 76 4.220 -3.660 5.815 1.00 0.00 C ATOM 1148 OG1 THR A 76 4.784 -4.567 6.738 1.00 0.00 O ATOM 1149 CG2 THR A 76 3.784 -2.409 6.587 1.00 0.00 C ATOM 0 H THR A 76 3.701 -4.939 3.278 1.00 0.00 H new ATOM 0 HA THR A 76 2.432 -4.730 5.943 1.00 0.00 H new ATOM 0 HB THR A 76 4.945 -3.384 5.049 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.676 -4.834 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.651 -1.959 7.071 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.341 -1.691 5.897 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.050 -2.686 7.343 1.00 0.00 H new ATOM 1157 N ILE A 77 0.911 -3.253 4.583 1.00 0.00 N ATOM 1158 CA ILE A 77 -0.006 -2.368 3.895 1.00 0.00 C ATOM 1159 C ILE A 77 -0.179 -1.139 4.773 1.00 0.00 C ATOM 1160 O ILE A 77 -0.250 -1.276 5.995 1.00 0.00 O ATOM 1161 CB ILE A 77 -1.321 -3.113 3.584 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -2.399 -2.188 2.979 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -1.873 -3.846 4.812 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -3.316 -1.461 3.976 1.00 0.00 C ATOM 0 H ILE A 77 0.466 -3.815 5.308 1.00 0.00 H new ATOM 0 HA ILE A 77 0.373 -2.043 2.926 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.067 -3.858 2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.900 -1.438 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.023 -2.782 2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.799 -4.356 4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.143 -4.577 5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.071 -3.127 5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.029 -0.843 3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.855 -2.194 4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.714 -0.829 4.630 1.00 0.00 H new ATOM 1176 N MET A 78 -0.194 0.053 4.171 1.00 0.00 N ATOM 1177 CA MET A 78 -0.465 1.295 4.876 1.00 0.00 C ATOM 1178 C MET A 78 -1.536 2.056 4.111 1.00 0.00 C ATOM 1179 O MET A 78 -1.579 2.033 2.879 1.00 0.00 O ATOM 1180 CB MET A 78 0.776 2.172 5.051 1.00 0.00 C ATOM 1181 CG MET A 78 2.014 1.386 5.473 1.00 0.00 C ATOM 1182 SD MET A 78 3.394 2.405 6.052 1.00 0.00 S ATOM 1183 CE MET A 78 3.771 1.562 7.603 1.00 0.00 C ATOM 0 H MET A 78 -0.017 0.177 3.174 1.00 0.00 H new ATOM 0 HA MET A 78 -0.802 1.043 5.881 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.983 2.688 4.113 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.569 2.939 5.797 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.735 0.692 6.266 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.352 0.786 4.628 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.638 2.029 8.070 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.915 1.634 8.274 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.988 0.513 7.403 1.00 0.00 H new ATOM 1193 N VAL A 79 -2.390 2.720 4.879 1.00 0.00 N ATOM 1194 CA VAL A 79 -3.489 3.546 4.417 1.00 0.00 C ATOM 1195 C VAL A 79 -3.099 4.990 4.673 1.00 0.00 C ATOM 1196 O VAL A 79 -2.571 5.298 5.740 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.779 3.226 5.196 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.882 4.264 4.912 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -5.285 1.821 4.852 1.00 0.00 C ATOM 0 H VAL A 79 -2.328 2.693 5.897 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.678 3.360 3.360 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.537 3.267 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.778 4.007 5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.536 5.254 5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.114 4.266 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.197 1.615 5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.495 1.761 3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.524 1.086 5.114 1.00 0.00 H new ATOM 1209 N PHE A 80 -3.409 5.863 3.719 1.00 0.00 N ATOM 1210 CA PHE A 80 -3.241 7.298 3.815 1.00 0.00 C ATOM 1211 C PHE A 80 -4.614 7.855 3.471 1.00 0.00 C ATOM 1212 O PHE A 80 -5.234 7.378 2.524 1.00 0.00 O ATOM 1213 CB PHE A 80 -2.150 7.799 2.858 1.00 0.00 C ATOM 1214 CG PHE A 80 -0.826 7.057 2.948 1.00 0.00 C ATOM 1215 CD1 PHE A 80 -0.726 5.742 2.461 1.00 0.00 C ATOM 1216 CD2 PHE A 80 0.302 7.657 3.540 1.00 0.00 C ATOM 1217 CE1 PHE A 80 0.440 4.997 2.680 1.00 0.00 C ATOM 1218 CE2 PHE A 80 1.492 6.926 3.706 1.00 0.00 C ATOM 1219 CZ PHE A 80 1.553 5.583 3.303 1.00 0.00 C ATOM 0 H PHE A 80 -3.800 5.571 2.823 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.909 7.620 4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -2.522 7.725 1.836 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.971 8.856 3.056 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.550 5.305 1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.253 8.685 3.869 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.483 3.964 2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.359 7.398 4.144 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.450 5.005 3.471 1.00 0.00 H new ATOM 1229 N LYS A 81 -5.101 8.820 4.247 1.00 0.00 N ATOM 1230 CA LYS A 81 -6.443 9.373 4.065 1.00 0.00 C ATOM 1231 C LYS A 81 -6.417 10.709 3.326 1.00 0.00 C ATOM 1232 O LYS A 81 -7.392 11.077 2.677 1.00 0.00 O ATOM 1233 CB LYS A 81 -7.148 9.492 5.428 1.00 0.00 C ATOM 1234 CG LYS A 81 -6.700 10.640 6.349 1.00 0.00 C ATOM 1235 CD LYS A 81 -5.201 10.619 6.669 1.00 0.00 C ATOM 1236 CE LYS A 81 -4.854 11.469 7.894 1.00 0.00 C ATOM 1237 NZ LYS A 81 -5.195 12.887 7.685 1.00 0.00 N ATOM 0 H LYS A 81 -4.580 9.240 5.017 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.012 8.687 3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.218 9.600 5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.009 8.553 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.949 11.591 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.263 10.588 7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.884 9.591 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.643 10.984 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.390 11.090 8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.790 11.378 8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.870 13.446 8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.731 13.232 6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.226 12.985 7.587 1.00 0.00 H new ATOM 1251 N GLY A 82 -5.305 11.434 3.436 1.00 0.00 N ATOM 1252 CA GLY A 82 -5.146 12.746 2.854 1.00 0.00 C ATOM 1253 C GLY A 82 -3.659 13.032 2.769 1.00 0.00 C ATOM 1254 O GLY A 82 -3.128 13.838 3.532 1.00 0.00 O ATOM 0 H GLY A 82 -4.481 11.112 3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.600 12.783 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.647 13.499 3.463 1.00 0.00 H new ATOM 1258 N GLY A 83 -2.971 12.287 1.905 1.00 0.00 N ATOM 1259 CA GLY A 83 -1.532 12.383 1.724 1.00 0.00 C ATOM 1260 C GLY A 83 -0.790 11.678 2.854 1.00 0.00 C ATOM 1261 O GLY A 83 -0.003 10.765 2.619 1.00 0.00 O ATOM 0 H GLY A 83 -3.410 11.590 1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.252 11.940 0.768 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.236 13.431 1.688 1.00 0.00 H new ATOM 1265 N LYS A 84 -1.059 12.090 4.094 1.00 0.00 N ATOM 1266 CA LYS A 84 -0.465 11.509 5.287 1.00 0.00 C ATOM 1267 C LYS A 84 -1.178 10.205 5.663 1.00 0.00 C ATOM 1268 O LYS A 84 -2.324 9.955 5.274 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.508 12.513 6.445 1.00 0.00 C ATOM 1270 CG LYS A 84 0.120 13.872 6.093 1.00 0.00 C ATOM 1271 CD LYS A 84 1.567 13.789 5.574 1.00 0.00 C ATOM 1272 CE LYS A 84 2.542 13.105 6.542 1.00 0.00 C ATOM 1273 NZ LYS A 84 2.588 13.782 7.850 1.00 0.00 N ATOM 0 H LYS A 84 -1.708 12.851 4.295 1.00 0.00 H new ATOM 0 HA LYS A 84 0.579 11.273 5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.544 12.666 6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.014 12.090 7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.497 14.359 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.100 14.508 6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.572 13.248 4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.925 14.797 5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.244 12.066 6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.540 13.095 6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.271 13.298 8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.880 14.771 7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.645 13.755 8.288 1.00 0.00 H new ATOM 1287 N LYS A 85 -0.449 9.379 6.417 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.839 8.041 6.839 1.00 0.00 C ATOM 1289 C LYS A 85 -2.042 8.080 7.787 1.00 0.00 C ATOM 1290 O LYS A 85 -2.332 9.110 8.394 1.00 0.00 O ATOM 1291 CB LYS A 85 0.365 7.366 7.520 1.00 0.00 C ATOM 1292 CG LYS A 85 0.391 5.844 7.302 1.00 0.00 C ATOM 1293 CD LYS A 85 1.321 5.140 8.300 1.00 0.00 C ATOM 1294 CE LYS A 85 0.549 4.568 9.499 1.00 0.00 C ATOM 1295 NZ LYS A 85 -0.213 5.596 10.230 1.00 0.00 N ATOM 0 H LYS A 85 0.473 9.642 6.764 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.140 7.467 5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.287 7.800 7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.338 7.576 8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.618 5.445 7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.719 5.628 6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.854 4.335 7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.072 5.845 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.135 3.795 9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.250 4.088 10.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.617 5.180 11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.420 6.380 10.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.981 5.954 9.626 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.727 6.942 7.918 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.866 6.739 8.800 1.00 0.00 C ATOM 1311 C CYS A 86 -3.647 5.478 9.636 1.00 0.00 C ATOM 1312 O CYS A 86 -3.454 5.567 10.845 1.00 0.00 O ATOM 1313 CB CYS A 86 -5.146 6.619 7.971 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.559 6.633 9.092 1.00 0.00 S ATOM 0 H CYS A 86 -2.489 6.104 7.387 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.966 7.592 9.471 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.217 7.444 7.262 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.134 5.698 7.388 1.00 0.00 H new ATOM 0 HG CYS A 86 -7.659 6.534 8.406 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.627 4.310 8.981 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.461 3.002 9.612 1.00 0.00 C ATOM 1322 C GLU A 87 -2.517 2.133 8.776 1.00 0.00 C ATOM 1323 O GLU A 87 -2.127 2.527 7.676 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.832 2.315 9.744 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.864 3.128 10.544 1.00 0.00 C ATOM 1326 CD GLU A 87 -5.448 3.404 11.987 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -4.687 2.575 12.533 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -5.931 4.421 12.530 1.00 0.00 O ATOM 0 H GLU A 87 -3.729 4.252 7.968 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.029 3.134 10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.229 2.124 8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.697 1.346 10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.036 4.078 10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.813 2.591 10.546 1.00 0.00 H new ATOM 1335 N THR A 88 -2.142 0.958 9.293 1.00 0.00 N ATOM 1336 CA THR A 88 -1.259 0.016 8.620 1.00 0.00 C ATOM 1337 C THR A 88 -1.422 -1.375 9.232 1.00 0.00 C ATOM 1338 O THR A 88 -1.812 -1.472 10.392 1.00 0.00 O ATOM 1339 CB THR A 88 0.201 0.503 8.728 1.00 0.00 C ATOM 1340 OG1 THR A 88 1.095 -0.486 8.258 1.00 0.00 O ATOM 1341 CG2 THR A 88 0.601 0.826 10.174 1.00 0.00 C ATOM 0 H THR A 88 -2.453 0.635 10.209 1.00 0.00 H new ATOM 0 HA THR A 88 -1.523 -0.043 7.564 1.00 0.00 H new ATOM 0 HB THR A 88 0.261 1.407 8.122 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.737 -0.888 7.439 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.637 1.164 10.198 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.047 1.611 10.564 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.497 -0.068 10.789 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.148 -2.434 8.464 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.138 -3.816 8.931 1.00 0.00 C ATOM 1351 C ILE A 89 0.130 -4.447 8.361 1.00 0.00 C ATOM 1352 O ILE A 89 0.552 -4.084 7.264 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.406 -4.575 8.495 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.685 -3.972 9.100 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -2.325 -6.062 8.875 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -3.820 -4.109 10.623 1.00 0.00 C ATOM 0 H ILE A 89 -0.921 -2.347 7.473 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.139 -3.862 10.020 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.458 -4.478 7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.725 -2.914 8.842 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.547 -4.447 8.632 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.235 -6.570 8.554 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.464 -6.516 8.385 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.219 -6.156 9.956 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.755 -3.652 10.948 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.818 -5.165 10.895 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.983 -3.608 11.109 1.00 0.00 H new ATOM 1368 N ILE A 90 0.725 -5.368 9.123 1.00 0.00 N ATOM 1369 CA ILE A 90 1.977 -6.057 8.829 1.00 0.00 C ATOM 1370 C ILE A 90 1.718 -7.560 8.877 1.00 0.00 C ATOM 1371 O ILE A 90 0.967 -8.015 9.739 1.00 0.00 O ATOM 1372 CB ILE A 90 3.031 -5.667 9.895 1.00 0.00 C ATOM 1373 CG1 ILE A 90 3.289 -4.147 9.883 1.00 0.00 C ATOM 1374 CG2 ILE A 90 4.348 -6.432 9.671 1.00 0.00 C ATOM 1375 CD1 ILE A 90 4.219 -3.671 11.004 1.00 0.00 C ATOM 0 H ILE A 90 0.321 -5.667 10.010 1.00 0.00 H new ATOM 0 HA ILE A 90 2.349 -5.778 7.843 1.00 0.00 H new ATOM 0 HB ILE A 90 2.634 -5.942 10.872 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.721 -3.868 8.922 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.336 -3.625 9.967 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.072 -6.141 10.432 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.162 -7.504 9.738 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.744 -6.194 8.684 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.354 -2.592 10.931 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.780 -3.918 11.971 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.186 -4.165 10.909 1.00 0.00 H new ATOM 1387 N GLY A 91 2.350 -8.319 7.978 1.00 0.00 N ATOM 1388 CA GLY A 91 2.282 -9.772 7.970 1.00 0.00 C ATOM 1389 C GLY A 91 1.459 -10.298 6.802 1.00 0.00 C ATOM 1390 O GLY A 91 0.579 -9.613 6.282 1.00 0.00 O ATOM 0 H GLY A 91 2.927 -7.933 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 91 3.291 -10.182 7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.846 -10.120 8.906 1.00 0.00 H new ATOM 1394 N ALA A 92 1.744 -11.539 6.399 1.00 0.00 N ATOM 1395 CA ALA A 92 1.104 -12.210 5.277 1.00 0.00 C ATOM 1396 C ALA A 92 -0.328 -12.655 5.596 1.00 0.00 C ATOM 1397 O ALA A 92 -0.669 -13.819 5.400 1.00 0.00 O ATOM 1398 CB ALA A 92 1.975 -13.407 4.882 1.00 0.00 C ATOM 0 H ALA A 92 2.447 -12.116 6.861 1.00 0.00 H new ATOM 0 HA ALA A 92 1.019 -11.508 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.517 -13.929 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.966 -13.057 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.062 -14.089 5.728 1.00 0.00 H new ATOM 1404 N VAL A 93 -1.176 -11.748 6.083 1.00 0.00 N ATOM 1405 CA VAL A 93 -2.581 -12.055 6.312 1.00 0.00 C ATOM 1406 C VAL A 93 -3.277 -11.962 4.945 1.00 0.00 C ATOM 1407 O VAL A 93 -2.859 -11.147 4.120 1.00 0.00 O ATOM 1408 CB VAL A 93 -3.192 -11.107 7.360 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -2.481 -11.271 8.710 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.156 -9.631 6.950 1.00 0.00 C ATOM 0 H VAL A 93 -0.910 -10.794 6.326 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.711 -13.055 6.725 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.241 -11.393 7.441 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.925 -10.594 9.440 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.590 -12.299 9.056 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.423 -11.037 8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.603 -9.024 7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.122 -9.321 6.796 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.717 -9.497 6.025 1.00 0.00 H new ATOM 1420 N PRO A 94 -4.299 -12.784 4.648 1.00 0.00 N ATOM 1421 CA PRO A 94 -4.960 -12.728 3.355 1.00 0.00 C ATOM 1422 C PRO A 94 -5.498 -11.327 3.063 1.00 0.00 C ATOM 1423 O PRO A 94 -5.952 -10.629 3.972 1.00 0.00 O ATOM 1424 CB PRO A 94 -6.102 -13.741 3.404 1.00 0.00 C ATOM 1425 CG PRO A 94 -5.684 -14.710 4.511 1.00 0.00 C ATOM 1426 CD PRO A 94 -4.847 -13.855 5.466 1.00 0.00 C ATOM 0 HA PRO A 94 -4.256 -12.962 2.557 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.053 -13.260 3.632 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.224 -14.253 2.449 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.551 -15.136 5.015 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.106 -15.544 4.113 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.459 -13.457 6.275 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.053 -14.443 5.926 1.00 0.00 H new ATOM 1434 N LYS A 95 -5.503 -10.946 1.785 1.00 0.00 N ATOM 1435 CA LYS A 95 -5.958 -9.636 1.356 1.00 0.00 C ATOM 1436 C LYS A 95 -7.405 -9.420 1.800 1.00 0.00 C ATOM 1437 O LYS A 95 -7.759 -8.306 2.152 1.00 0.00 O ATOM 1438 CB LYS A 95 -5.776 -9.482 -0.160 1.00 0.00 C ATOM 1439 CG LYS A 95 -6.067 -8.059 -0.664 1.00 0.00 C ATOM 1440 CD LYS A 95 -5.081 -6.989 -0.177 1.00 0.00 C ATOM 1441 CE LYS A 95 -5.548 -5.611 -0.660 1.00 0.00 C ATOM 1442 NZ LYS A 95 -4.637 -4.542 -0.214 1.00 0.00 N ATOM 0 H LYS A 95 -5.189 -11.544 1.021 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.354 -8.861 1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.754 -9.753 -0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.435 -10.183 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.063 -8.067 -1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.072 -7.776 -0.351 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.019 -7.004 0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.081 -7.200 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.608 -5.608 -1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.552 -5.414 -0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.683 -3.746 -0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.920 -4.217 0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.664 -4.908 -0.178 1.00 0.00 H new ATOM 1456 N ALA A 96 -8.244 -10.460 1.820 1.00 0.00 N ATOM 1457 CA ALA A 96 -9.612 -10.346 2.328 1.00 0.00 C ATOM 1458 C ALA A 96 -9.631 -9.682 3.718 1.00 0.00 C ATOM 1459 O ALA A 96 -10.423 -8.776 3.979 1.00 0.00 O ATOM 1460 CB ALA A 96 -10.243 -11.740 2.391 1.00 0.00 C ATOM 0 H ALA A 96 -7.997 -11.393 1.489 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.190 -9.715 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.262 -11.661 2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.259 -12.178 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.658 -12.375 3.056 1.00 0.00 H new ATOM 1466 N THR A 97 -8.734 -10.121 4.605 1.00 0.00 N ATOM 1467 CA THR A 97 -8.584 -9.587 5.951 1.00 0.00 C ATOM 1468 C THR A 97 -8.275 -8.090 5.862 1.00 0.00 C ATOM 1469 O THR A 97 -8.906 -7.260 6.520 1.00 0.00 O ATOM 1470 CB THR A 97 -7.449 -10.346 6.673 1.00 0.00 C ATOM 1471 OG1 THR A 97 -7.284 -11.631 6.108 1.00 0.00 O ATOM 1472 CG2 THR A 97 -7.751 -10.512 8.162 1.00 0.00 C ATOM 0 H THR A 97 -8.079 -10.875 4.397 1.00 0.00 H new ATOM 0 HA THR A 97 -9.504 -9.719 6.520 1.00 0.00 H new ATOM 0 HB THR A 97 -6.539 -9.759 6.554 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.665 -11.578 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.933 -11.050 8.641 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.859 -9.530 8.623 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.677 -11.074 8.285 1.00 0.00 H new ATOM 1480 N ILE A 98 -7.293 -7.755 5.021 1.00 0.00 N ATOM 1481 CA ILE A 98 -6.873 -6.384 4.793 1.00 0.00 C ATOM 1482 C ILE A 98 -8.059 -5.558 4.294 1.00 0.00 C ATOM 1483 O ILE A 98 -8.322 -4.497 4.842 1.00 0.00 O ATOM 1484 CB ILE A 98 -5.686 -6.358 3.813 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -4.448 -7.068 4.389 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -5.341 -4.911 3.432 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.079 -6.640 5.814 1.00 0.00 C ATOM 0 H ILE A 98 -6.767 -8.440 4.478 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.533 -5.936 5.726 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.989 -6.902 2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.624 -8.144 4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.598 -6.878 3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.500 -4.908 2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.204 -4.444 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.074 -4.352 4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.196 -7.189 6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.868 -5.571 5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.910 -6.856 6.485 1.00 0.00 H new ATOM 1499 N VAL A 99 -8.784 -6.032 3.282 1.00 0.00 N ATOM 1500 CA VAL A 99 -9.946 -5.363 2.718 1.00 0.00 C ATOM 1501 C VAL A 99 -10.921 -5.024 3.837 1.00 0.00 C ATOM 1502 O VAL A 99 -11.307 -3.867 3.975 1.00 0.00 O ATOM 1503 CB VAL A 99 -10.598 -6.261 1.655 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -12.009 -5.789 1.288 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -9.731 -6.278 0.396 1.00 0.00 C ATOM 0 H VAL A 99 -8.570 -6.917 2.822 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.646 -4.435 2.231 1.00 0.00 H new ATOM 0 HB VAL A 99 -10.678 -7.263 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.430 -6.454 0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.640 -5.803 2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -11.962 -4.775 0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -10.195 -6.915 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -9.637 -5.265 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.742 -6.666 0.640 1.00 0.00 H new ATOM 1515 N GLN A 100 -11.299 -6.015 4.648 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.219 -5.779 5.751 1.00 0.00 C ATOM 1517 C GLN A 100 -11.671 -4.664 6.644 1.00 0.00 C ATOM 1518 O GLN A 100 -12.391 -3.723 6.987 1.00 0.00 O ATOM 1519 CB GLN A 100 -12.423 -7.086 6.531 1.00 0.00 C ATOM 1520 CG GLN A 100 -13.761 -7.145 7.281 1.00 0.00 C ATOM 1521 CD GLN A 100 -13.653 -6.656 8.721 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -13.676 -7.453 9.652 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -13.530 -5.353 8.937 1.00 0.00 N ATOM 0 H GLN A 100 -10.982 -6.980 4.559 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.189 -5.457 5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.365 -7.926 5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.609 -7.205 7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.496 -6.540 6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.130 -8.171 7.277 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.513 -4.705 8.150 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.453 -4.999 9.891 1.00 0.00 H new ATOM 1532 N THR A 101 -10.395 -4.781 7.013 1.00 0.00 N ATOM 1533 CA THR A 101 -9.719 -3.814 7.870 1.00 0.00 C ATOM 1534 C THR A 101 -9.694 -2.415 7.229 1.00 0.00 C ATOM 1535 O THR A 101 -9.823 -1.413 7.925 1.00 0.00 O ATOM 1536 CB THR A 101 -8.308 -4.330 8.195 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.385 -5.646 8.708 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.633 -3.463 9.257 1.00 0.00 C ATOM 0 H THR A 101 -9.799 -5.556 6.722 1.00 0.00 H new ATOM 0 HA THR A 101 -10.273 -3.708 8.803 1.00 0.00 H new ATOM 0 HB THR A 101 -7.729 -4.300 7.272 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.491 -6.280 7.968 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.637 -3.853 9.466 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.553 -2.439 8.893 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.227 -3.478 10.171 1.00 0.00 H new ATOM 1546 N VAL A 102 -9.535 -2.323 5.908 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.521 -1.057 5.192 1.00 0.00 C ATOM 1548 C VAL A 102 -10.928 -0.464 5.212 1.00 0.00 C ATOM 1549 O VAL A 102 -11.112 0.673 5.637 1.00 0.00 O ATOM 1550 CB VAL A 102 -8.974 -1.273 3.768 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.195 -0.057 2.860 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -7.464 -1.544 3.823 1.00 0.00 C ATOM 0 H VAL A 102 -9.412 -3.136 5.304 1.00 0.00 H new ATOM 0 HA VAL A 102 -8.857 -0.340 5.675 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.518 -2.122 3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -8.790 -0.264 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.263 0.148 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -8.689 0.810 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.085 -1.696 2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.958 -0.692 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.276 -2.437 4.419 1.00 0.00 H new ATOM 1562 N GLU A 103 -11.922 -1.239 4.774 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.321 -0.836 4.728 1.00 0.00 C ATOM 1564 C GLU A 103 -13.787 -0.331 6.093 1.00 0.00 C ATOM 1565 O GLU A 103 -14.491 0.668 6.179 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.167 -2.022 4.255 1.00 0.00 C ATOM 1567 CG GLU A 103 -13.942 -2.305 2.762 1.00 0.00 C ATOM 1568 CD GLU A 103 -14.770 -3.490 2.274 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -14.791 -4.510 2.996 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.363 -3.357 1.178 1.00 0.00 O ATOM 0 H GLU A 103 -11.768 -2.188 4.434 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.439 -0.012 4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.914 -2.908 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.222 -1.814 4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.200 -1.419 2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.885 -2.504 2.586 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.387 -1.026 7.159 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.671 -0.622 8.531 1.00 0.00 C ATOM 1579 C LYS A 104 -13.291 0.849 8.745 1.00 0.00 C ATOM 1580 O LYS A 104 -14.033 1.593 9.381 1.00 0.00 O ATOM 1581 CB LYS A 104 -12.864 -1.525 9.472 1.00 0.00 C ATOM 1582 CG LYS A 104 -12.858 -1.096 10.945 1.00 0.00 C ATOM 1583 CD LYS A 104 -11.635 -1.725 11.621 1.00 0.00 C ATOM 1584 CE LYS A 104 -11.671 -1.560 13.144 1.00 0.00 C ATOM 1585 NZ LYS A 104 -11.732 -0.143 13.547 1.00 0.00 N ATOM 0 H LYS A 104 -12.852 -1.892 7.090 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.736 -0.724 8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.262 -2.538 9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.834 -1.564 9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.820 -0.010 11.025 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.774 -1.420 11.439 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.589 -2.785 11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.728 -1.266 11.228 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.536 -2.088 13.545 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.785 -2.022 13.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.652 -0.073 14.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.949 0.378 13.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.638 0.266 13.241 1.00 0.00 H new ATOM 1599 N TYR A 105 -12.106 1.247 8.275 1.00 0.00 N ATOM 1600 CA TYR A 105 -11.624 2.609 8.432 1.00 0.00 C ATOM 1601 C TYR A 105 -12.332 3.516 7.417 1.00 0.00 C ATOM 1602 O TYR A 105 -12.984 4.488 7.793 1.00 0.00 O ATOM 1603 CB TYR A 105 -10.099 2.628 8.253 1.00 0.00 C ATOM 1604 CG TYR A 105 -9.277 1.685 9.115 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -9.563 1.500 10.482 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -8.159 1.044 8.547 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -8.753 0.653 11.262 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -7.360 0.191 9.324 1.00 0.00 C ATOM 1609 CZ TYR A 105 -7.669 -0.022 10.675 1.00 0.00 C ATOM 1610 OH TYR A 105 -6.869 -0.830 11.426 1.00 0.00 O ATOM 0 H TYR A 105 -11.461 0.632 7.778 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.849 2.985 9.430 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.881 2.405 7.209 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.751 3.644 8.441 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.403 2.008 10.931 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -7.915 1.210 7.508 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.965 0.522 12.313 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.507 -0.301 8.881 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.170 -1.217 10.859 1.00 0.00 H new ATOM 1620 N LEU A 106 -12.216 3.204 6.123 1.00 0.00 N ATOM 1621 CA LEU A 106 -12.855 3.950 5.046 1.00 0.00 C ATOM 1622 C LEU A 106 -14.292 3.471 4.897 1.00 0.00 C ATOM 1623 O LEU A 106 -14.671 2.866 3.894 1.00 0.00 O ATOM 1624 CB LEU A 106 -12.074 3.793 3.740 1.00 0.00 C ATOM 1625 CG LEU A 106 -10.743 4.555 3.818 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -9.576 3.572 3.876 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -10.610 5.475 2.603 1.00 0.00 C ATOM 0 H LEU A 106 -11.665 2.411 5.794 1.00 0.00 H new ATOM 0 HA LEU A 106 -12.860 5.012 5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -11.885 2.737 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -12.667 4.169 2.906 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.726 5.160 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.638 4.124 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.677 2.939 4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.579 2.950 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.665 6.016 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.634 4.879 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.436 6.187 2.593 1.00 0.00 H new ATOM 1639 N ASN A 107 -15.059 3.761 5.938 1.00 0.00 N ATOM 1640 CA ASN A 107 -16.480 3.464 6.039 1.00 0.00 C ATOM 1641 C ASN A 107 -17.270 4.711 5.634 1.00 0.00 C ATOM 1642 O ASN A 107 -16.695 5.818 5.735 1.00 0.00 O ATOM 1643 CB ASN A 107 -16.809 3.037 7.478 1.00 0.00 C ATOM 1644 CG ASN A 107 -18.104 2.232 7.614 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -18.153 1.261 8.363 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -19.174 2.601 6.919 1.00 0.00 N ATOM 1647 OXT ASN A 107 -18.450 4.540 5.257 1.00 0.00 O ATOM 0 H ASN A 107 -14.694 4.228 6.768 1.00 0.00 H new ATOM 0 HA ASN A 107 -16.752 2.645 5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -15.982 2.442 7.866 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -16.881 3.928 8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -20.044 2.076 7.006 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -19.125 3.409 6.299 1.00 0.00 H new TER 1654 ASN A 107