USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 590 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 24 THR OG1 : rot 93:sc= 1.18 USER MOD Set 1.2: A 40 HIS : no HE2:sc= 0.316 K(o=1.5,f=-8.9!) USER MOD Single : A 1 ALA N :NH3+ 136:sc= 0.0178 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0.881 K(o=0.88,f=-1) USER MOD Single : A 10 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 11 THR OG1 : rot 40:sc= 1.43 USER MOD Single : A 16 HIS : no HD1:sc= -6.41! C(o=-6.4!,f=-10!) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= -0.0168 (180deg=-0.146) USER MOD Single : A 26 GLN : amide:sc= -4.04! C(o=-4!,f=-9!) USER MOD Single : A 29 ASN : amide:sc= -4.08! K(o=-4.1!,f=-0.018) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 41 THR OG1 : rot -77:sc= 0.933 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0427) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= 0.679 (180deg=0.327) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0677 USER MOD Single : A 50 ASN : amide:sc= -6.96! C(o=-7!,f=-6.1!) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0178) USER MOD Single : A 53 GLN : amide:sc= -9.23! C(o=-9.2!,f=-15!) USER MOD Single : A 54 THR OG1 : rot -91:sc= 0.125 USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0344) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -57:sc= 0.0621 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= 1.26 (180deg=1.16) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 70 MET CE :methyl 165:sc= -0.106 (180deg=-0.431) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.938 4.911 4.515 1.00 0.00 N ATOM 2 CA ALA A 1 17.848 5.122 5.490 1.00 0.00 C ATOM 3 C ALA A 1 16.541 4.564 4.956 1.00 0.00 C ATOM 4 O ALA A 1 16.231 4.695 3.772 1.00 0.00 O ATOM 5 CB ALA A 1 17.701 6.599 5.815 1.00 0.00 C ATOM 0 H1 ALA A 1 19.508 5.778 4.438 1.00 0.00 H new ATOM 0 H2 ALA A 1 19.542 4.127 4.834 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.533 4.680 3.586 1.00 0.00 H new ATOM 0 HA ALA A 1 18.101 4.591 6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.894 6.735 6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.633 6.972 6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.471 7.151 4.904 1.00 0.00 H new ATOM 13 N SER A 2 15.785 3.930 5.833 1.00 0.00 N ATOM 14 CA SER A 2 14.513 3.345 5.462 1.00 0.00 C ATOM 15 C SER A 2 13.389 4.021 6.235 1.00 0.00 C ATOM 16 O SER A 2 13.371 3.982 7.464 1.00 0.00 O ATOM 17 CB SER A 2 14.524 1.845 5.755 1.00 0.00 C ATOM 18 OG SER A 2 15.672 1.231 5.190 1.00 0.00 O ATOM 0 H SER A 2 16.034 3.807 6.815 1.00 0.00 H new ATOM 0 HA SER A 2 14.349 3.494 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.510 1.680 6.832 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.623 1.384 5.351 1.00 0.00 H new ATOM 0 HG SER A 2 15.662 0.272 5.390 1.00 0.00 H new ATOM 24 N ASN A 3 12.465 4.653 5.517 1.00 0.00 N ATOM 25 CA ASN A 3 11.304 5.270 6.150 1.00 0.00 C ATOM 26 C ASN A 3 10.477 4.189 6.817 1.00 0.00 C ATOM 27 O ASN A 3 10.097 4.295 7.981 1.00 0.00 O ATOM 28 CB ASN A 3 10.452 6.028 5.123 1.00 0.00 C ATOM 29 CG ASN A 3 11.149 7.266 4.585 1.00 0.00 C ATOM 30 OD1 ASN A 3 11.979 7.869 5.263 1.00 0.00 O ATOM 31 ND2 ASN A 3 10.805 7.665 3.370 1.00 0.00 N ATOM 0 H ASN A 3 12.497 4.751 4.502 1.00 0.00 H new ATOM 0 HA ASN A 3 11.646 5.990 6.893 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.211 5.362 4.294 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.508 6.318 5.583 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.233 8.499 2.967 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.112 7.139 2.837 1.00 0.00 H new ATOM 38 N PHE A 4 10.218 3.138 6.063 1.00 0.00 N ATOM 39 CA PHE A 4 9.558 1.957 6.582 1.00 0.00 C ATOM 40 C PHE A 4 10.323 0.717 6.156 1.00 0.00 C ATOM 41 O PHE A 4 11.348 0.818 5.478 1.00 0.00 O ATOM 42 CB PHE A 4 8.116 1.869 6.076 1.00 0.00 C ATOM 43 CG PHE A 4 7.981 2.126 4.599 1.00 0.00 C ATOM 44 CD1 PHE A 4 8.570 1.279 3.675 1.00 0.00 C ATOM 45 CD2 PHE A 4 7.265 3.216 4.137 1.00 0.00 C ATOM 46 CE1 PHE A 4 8.452 1.514 2.325 1.00 0.00 C ATOM 47 CE2 PHE A 4 7.142 3.454 2.784 1.00 0.00 C ATOM 48 CZ PHE A 4 7.738 2.598 1.879 1.00 0.00 C ATOM 0 H PHE A 4 10.459 3.079 5.074 1.00 0.00 H new ATOM 0 HA PHE A 4 9.538 2.024 7.670 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.720 0.879 6.302 1.00 0.00 H new ATOM 0 HB3 PHE A 4 7.504 2.589 6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.130 0.422 4.019 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.798 3.887 4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.920 0.847 1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.581 4.308 2.433 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.642 2.782 0.819 1.00 0.00 H new ATOM 58 N ASP A 5 9.825 -0.443 6.537 1.00 0.00 N ATOM 59 CA ASP A 5 10.335 -1.689 6.004 1.00 0.00 C ATOM 60 C ASP A 5 9.198 -2.470 5.349 1.00 0.00 C ATOM 61 O ASP A 5 8.248 -2.892 6.008 1.00 0.00 O ATOM 62 CB ASP A 5 11.051 -2.520 7.082 1.00 0.00 C ATOM 63 CG ASP A 5 10.164 -2.944 8.243 1.00 0.00 C ATOM 64 OD1 ASP A 5 9.697 -2.068 9.002 1.00 0.00 O ATOM 65 OD2 ASP A 5 9.954 -4.164 8.415 1.00 0.00 O ATOM 0 H ASP A 5 9.068 -0.548 7.213 1.00 0.00 H new ATOM 0 HA ASP A 5 11.084 -1.462 5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.470 -3.412 6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.888 -1.941 7.473 1.00 0.00 H new ATOM 70 N CYS A 6 9.273 -2.585 4.030 1.00 0.00 N ATOM 71 CA CYS A 6 8.314 -3.353 3.256 1.00 0.00 C ATOM 72 C CYS A 6 8.136 -4.752 3.841 1.00 0.00 C ATOM 73 O CYS A 6 9.114 -5.383 4.241 1.00 0.00 O ATOM 74 CB CYS A 6 8.801 -3.443 1.813 1.00 0.00 C ATOM 75 SG CYS A 6 8.878 -1.835 0.959 1.00 0.00 S ATOM 0 H CYS A 6 10.003 -2.147 3.468 1.00 0.00 H new ATOM 0 HA CYS A 6 7.346 -2.852 3.289 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.792 -3.897 1.802 1.00 0.00 H new ATOM 0 HB3 CYS A 6 8.139 -4.107 1.257 1.00 0.00 H new ATOM 80 N CYS A 7 6.888 -5.220 3.895 1.00 0.00 N ATOM 81 CA CYS A 7 6.579 -6.528 4.467 1.00 0.00 C ATOM 82 C CYS A 7 7.372 -7.613 3.749 1.00 0.00 C ATOM 83 O CYS A 7 7.221 -7.806 2.541 1.00 0.00 O ATOM 84 CB CYS A 7 5.079 -6.814 4.379 1.00 0.00 C ATOM 85 SG CYS A 7 4.531 -8.189 5.443 1.00 0.00 S ATOM 0 H CYS A 7 6.075 -4.711 3.549 1.00 0.00 H new ATOM 0 HA CYS A 7 6.863 -6.524 5.519 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.530 -5.913 4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.822 -7.042 3.345 1.00 0.00 H new ATOM 90 N LEU A 8 8.222 -8.307 4.507 1.00 0.00 N ATOM 91 CA LEU A 8 9.158 -9.288 3.949 1.00 0.00 C ATOM 92 C LEU A 8 8.438 -10.436 3.246 1.00 0.00 C ATOM 93 O LEU A 8 9.004 -11.078 2.358 1.00 0.00 O ATOM 94 CB LEU A 8 10.070 -9.836 5.053 1.00 0.00 C ATOM 95 CG LEU A 8 10.979 -8.798 5.722 1.00 0.00 C ATOM 96 CD1 LEU A 8 11.763 -9.435 6.862 1.00 0.00 C ATOM 97 CD2 LEU A 8 11.923 -8.167 4.702 1.00 0.00 C ATOM 0 H LEU A 8 8.282 -8.207 5.520 1.00 0.00 H new ATOM 0 HA LEU A 8 9.760 -8.773 3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.449 -10.299 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.694 -10.623 4.630 1.00 0.00 H new ATOM 0 HG LEU A 8 10.352 -8.007 6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.403 -8.685 7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.069 -9.830 7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.378 -10.246 6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.558 -7.434 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.545 -8.942 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.341 -7.674 3.924 1.00 0.00 H new ATOM 109 N GLY A 9 7.201 -10.695 3.638 1.00 0.00 N ATOM 110 CA GLY A 9 6.429 -11.719 2.978 1.00 0.00 C ATOM 111 C GLY A 9 4.967 -11.376 2.926 1.00 0.00 C ATOM 112 O GLY A 9 4.418 -10.809 3.865 1.00 0.00 O ATOM 0 H GLY A 9 6.721 -10.215 4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.805 -11.860 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.561 -12.666 3.501 1.00 0.00 H new ATOM 116 N TYR A 10 4.336 -11.716 1.826 1.00 0.00 N ATOM 117 CA TYR A 10 2.924 -11.418 1.641 1.00 0.00 C ATOM 118 C TYR A 10 2.050 -12.667 1.792 1.00 0.00 C ATOM 119 O TYR A 10 2.553 -13.786 1.879 1.00 0.00 O ATOM 120 CB TYR A 10 2.679 -10.721 0.306 1.00 0.00 C ATOM 121 CG TYR A 10 3.738 -10.975 -0.720 1.00 0.00 C ATOM 122 CD1 TYR A 10 3.768 -12.162 -1.420 1.00 0.00 C ATOM 123 CD2 TYR A 10 4.710 -10.024 -0.973 1.00 0.00 C ATOM 124 CE1 TYR A 10 4.752 -12.407 -2.359 1.00 0.00 C ATOM 125 CE2 TYR A 10 5.701 -10.251 -1.910 1.00 0.00 C ATOM 126 CZ TYR A 10 5.720 -11.448 -2.599 1.00 0.00 C ATOM 127 OH TYR A 10 6.699 -11.685 -3.541 1.00 0.00 O ATOM 0 H TYR A 10 4.774 -12.200 1.042 1.00 0.00 H new ATOM 0 HA TYR A 10 2.632 -10.730 2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.718 -11.048 -0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.605 -9.647 0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.012 -12.911 -1.232 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.695 -9.090 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.765 -13.341 -2.902 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.453 -9.500 -2.101 1.00 0.00 H new ATOM 0 HH TYR A 10 7.300 -10.913 -3.589 1.00 0.00 H new ATOM 137 N THR A 11 0.740 -12.450 1.816 1.00 0.00 N ATOM 138 CA THR A 11 -0.227 -13.485 2.179 1.00 0.00 C ATOM 139 C THR A 11 -0.773 -14.253 0.964 1.00 0.00 C ATOM 140 O THR A 11 -0.831 -13.724 -0.141 1.00 0.00 O ATOM 141 CB THR A 11 -1.402 -12.829 2.926 1.00 0.00 C ATOM 142 OG1 THR A 11 -2.300 -13.815 3.445 1.00 0.00 O ATOM 143 CG2 THR A 11 -2.167 -11.890 2.004 1.00 0.00 C ATOM 0 H THR A 11 0.316 -11.552 1.585 1.00 0.00 H new ATOM 0 HA THR A 11 0.293 -14.207 2.808 1.00 0.00 H new ATOM 0 HB THR A 11 -0.984 -12.261 3.757 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.787 -14.571 3.799 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.994 -11.436 2.551 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.498 -11.109 1.644 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.558 -12.452 1.156 1.00 0.00 H new ATOM 151 N ASP A 12 -1.205 -15.493 1.196 1.00 0.00 N ATOM 152 CA ASP A 12 -1.812 -16.325 0.154 1.00 0.00 C ATOM 153 C ASP A 12 -3.330 -16.212 0.201 1.00 0.00 C ATOM 154 O ASP A 12 -4.032 -17.205 0.402 1.00 0.00 O ATOM 155 CB ASP A 12 -1.425 -17.797 0.337 1.00 0.00 C ATOM 156 CG ASP A 12 0.022 -18.078 0.010 1.00 0.00 C ATOM 157 OD1 ASP A 12 0.320 -18.343 -1.169 1.00 0.00 O ATOM 158 OD2 ASP A 12 0.859 -18.082 0.937 1.00 0.00 O ATOM 0 H ASP A 12 -1.145 -15.948 2.107 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.443 -15.970 -0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.621 -18.092 1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.061 -18.414 -0.298 1.00 0.00 H new ATOM 163 N ARG A 13 -3.839 -15.002 0.032 1.00 0.00 N ATOM 164 CA ARG A 13 -5.272 -14.763 0.131 1.00 0.00 C ATOM 165 C ARG A 13 -5.837 -14.001 -1.048 1.00 0.00 C ATOM 166 O ARG A 13 -5.112 -13.535 -1.920 1.00 0.00 O ATOM 167 CB ARG A 13 -5.597 -13.975 1.388 1.00 0.00 C ATOM 168 CG ARG A 13 -6.170 -14.846 2.494 1.00 0.00 C ATOM 169 CD ARG A 13 -6.204 -14.139 3.840 1.00 0.00 C ATOM 170 NE ARG A 13 -4.864 -13.957 4.393 1.00 0.00 N ATOM 171 CZ ARG A 13 -4.589 -13.935 5.697 1.00 0.00 C ATOM 172 NH1 ARG A 13 -5.552 -14.087 6.596 1.00 0.00 N ATOM 173 NH2 ARG A 13 -3.341 -13.754 6.106 1.00 0.00 N ATOM 0 H ARG A 13 -3.284 -14.171 -0.174 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.729 -15.752 0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.693 -13.485 1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.311 -13.188 1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.181 -15.152 2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.574 -15.755 2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.686 -13.168 3.728 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.810 -14.716 4.538 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.090 -13.839 3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.516 -14.223 6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.328 -14.068 7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.593 -13.632 5.423 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.129 -13.737 7.104 1.00 0.00 H new ATOM 187 N ILE A 14 -7.160 -13.892 -1.036 1.00 0.00 N ATOM 188 CA ILE A 14 -7.900 -13.018 -1.926 1.00 0.00 C ATOM 189 C ILE A 14 -8.699 -12.027 -1.080 1.00 0.00 C ATOM 190 O ILE A 14 -9.886 -12.232 -0.819 1.00 0.00 O ATOM 191 CB ILE A 14 -8.874 -13.811 -2.834 1.00 0.00 C ATOM 192 CG1 ILE A 14 -8.134 -14.875 -3.643 1.00 0.00 C ATOM 193 CG2 ILE A 14 -9.626 -12.875 -3.773 1.00 0.00 C ATOM 194 CD1 ILE A 14 -7.342 -14.307 -4.796 1.00 0.00 C ATOM 0 H ILE A 14 -7.754 -14.419 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.189 -12.501 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.593 -14.309 -2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.460 -15.420 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -8.856 -15.596 -4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.303 -13.455 -4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.200 -12.156 -3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -8.914 -12.343 -4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.842 -15.117 -5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.014 -13.786 -5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.597 -13.608 -4.416 1.00 0.00 H new ATOM 206 N LEU A 15 -8.031 -10.986 -0.594 1.00 0.00 N ATOM 207 CA LEU A 15 -8.702 -9.973 0.216 1.00 0.00 C ATOM 208 C LEU A 15 -9.457 -9.025 -0.691 1.00 0.00 C ATOM 209 O LEU A 15 -9.195 -8.952 -1.879 1.00 0.00 O ATOM 210 CB LEU A 15 -7.722 -9.177 1.094 1.00 0.00 C ATOM 211 CG LEU A 15 -7.029 -9.951 2.218 1.00 0.00 C ATOM 212 CD1 LEU A 15 -8.023 -10.812 2.980 1.00 0.00 C ATOM 213 CD2 LEU A 15 -5.888 -10.789 1.674 1.00 0.00 C ATOM 0 H LEU A 15 -7.036 -10.821 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.389 -10.490 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.954 -8.752 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.263 -8.342 1.538 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.610 -9.227 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.505 -11.351 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.794 -10.177 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.484 -11.526 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.411 -11.329 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.275 -11.501 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.156 -10.139 1.193 1.00 0.00 H new ATOM 225 N HIS A 16 -10.429 -8.335 -0.151 1.00 0.00 N ATOM 226 CA HIS A 16 -11.260 -7.465 -0.959 1.00 0.00 C ATOM 227 C HIS A 16 -11.448 -6.126 -0.295 1.00 0.00 C ATOM 228 O HIS A 16 -11.089 -5.960 0.868 1.00 0.00 O ATOM 229 CB HIS A 16 -12.624 -8.092 -1.173 1.00 0.00 C ATOM 230 CG HIS A 16 -12.599 -9.377 -1.911 1.00 0.00 C ATOM 231 ND1 HIS A 16 -13.608 -10.286 -1.806 1.00 0.00 N ATOM 232 CD2 HIS A 16 -11.709 -9.895 -2.793 1.00 0.00 C ATOM 233 CE1 HIS A 16 -13.363 -11.301 -2.583 1.00 0.00 C ATOM 234 NE2 HIS A 16 -12.216 -11.101 -3.206 1.00 0.00 N ATOM 0 H HIS A 16 -10.668 -8.355 0.840 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.757 -7.326 -1.916 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.092 -8.254 -0.202 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.253 -7.387 -1.717 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.780 -9.445 -3.110 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.996 -12.168 -2.700 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.782 -11.734 -3.878 1.00 0.00 H new ATOM 243 N PRO A 17 -12.060 -5.166 -1.008 1.00 0.00 N ATOM 244 CA PRO A 17 -12.569 -3.954 -0.382 1.00 0.00 C ATOM 245 C PRO A 17 -13.609 -4.333 0.676 1.00 0.00 C ATOM 246 O PRO A 17 -13.882 -3.582 1.607 1.00 0.00 O ATOM 247 CB PRO A 17 -13.210 -3.171 -1.537 1.00 0.00 C ATOM 248 CG PRO A 17 -13.377 -4.158 -2.644 1.00 0.00 C ATOM 249 CD PRO A 17 -12.290 -5.180 -2.464 1.00 0.00 C ATOM 0 HA PRO A 17 -11.801 -3.368 0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.170 -2.749 -1.240 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.577 -2.339 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.361 -4.625 -2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.296 -3.670 -3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.600 -6.165 -2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.390 -4.913 -3.017 1.00 0.00 H new ATOM 257 N LYS A 18 -14.154 -5.548 0.496 1.00 0.00 N ATOM 258 CA LYS A 18 -15.077 -6.194 1.432 1.00 0.00 C ATOM 259 C LYS A 18 -14.559 -6.157 2.871 1.00 0.00 C ATOM 260 O LYS A 18 -15.340 -6.061 3.817 1.00 0.00 O ATOM 261 CB LYS A 18 -15.265 -7.666 1.017 1.00 0.00 C ATOM 262 CG LYS A 18 -16.011 -7.883 -0.288 1.00 0.00 C ATOM 263 CD LYS A 18 -16.288 -9.360 -0.494 1.00 0.00 C ATOM 264 CE LYS A 18 -17.074 -9.627 -1.761 1.00 0.00 C ATOM 265 NZ LYS A 18 -18.422 -9.001 -1.725 1.00 0.00 N ATOM 0 H LYS A 18 -13.957 -6.119 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.020 -5.648 1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.283 -8.132 0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -15.800 -8.185 1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.949 -7.328 -0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.423 -7.496 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.343 -9.902 -0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.841 -9.746 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.520 -9.245 -2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.178 -10.703 -1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.998 -9.371 -2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.884 -9.224 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.328 -7.970 -1.821 1.00 0.00 H new ATOM 279 N PHE A 19 -13.243 -6.250 3.034 1.00 0.00 N ATOM 280 CA PHE A 19 -12.655 -6.368 4.362 1.00 0.00 C ATOM 281 C PHE A 19 -11.653 -5.246 4.622 1.00 0.00 C ATOM 282 O PHE A 19 -11.039 -5.185 5.687 1.00 0.00 O ATOM 283 CB PHE A 19 -11.953 -7.724 4.514 1.00 0.00 C ATOM 284 CG PHE A 19 -12.718 -8.889 3.931 1.00 0.00 C ATOM 285 CD1 PHE A 19 -13.834 -9.407 4.571 1.00 0.00 C ATOM 286 CD2 PHE A 19 -12.311 -9.467 2.737 1.00 0.00 C ATOM 287 CE1 PHE A 19 -14.529 -10.475 4.028 1.00 0.00 C ATOM 288 CE2 PHE A 19 -13.001 -10.533 2.192 1.00 0.00 C ATOM 289 CZ PHE A 19 -14.112 -11.036 2.837 1.00 0.00 C ATOM 0 H PHE A 19 -12.569 -6.246 2.269 1.00 0.00 H new ATOM 0 HA PHE A 19 -13.462 -6.291 5.091 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.976 -7.670 4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.778 -7.913 5.573 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -14.165 -8.973 5.503 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.442 -9.078 2.226 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -15.397 -10.869 4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.671 -10.972 1.262 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.655 -11.867 2.411 1.00 0.00 H new ATOM 299 N ILE A 20 -11.506 -4.352 3.655 1.00 0.00 N ATOM 300 CA ILE A 20 -10.495 -3.300 3.721 1.00 0.00 C ATOM 301 C ILE A 20 -11.098 -2.005 4.271 1.00 0.00 C ATOM 302 O ILE A 20 -12.151 -1.557 3.816 1.00 0.00 O ATOM 303 CB ILE A 20 -9.858 -3.047 2.319 1.00 0.00 C ATOM 304 CG1 ILE A 20 -8.614 -3.924 2.088 1.00 0.00 C ATOM 305 CG2 ILE A 20 -9.479 -1.580 2.129 1.00 0.00 C ATOM 306 CD1 ILE A 20 -8.695 -5.317 2.678 1.00 0.00 C ATOM 0 H ILE A 20 -12.076 -4.332 2.810 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.709 -3.634 4.398 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.619 -3.316 1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.442 -4.009 1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.747 -3.417 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.039 -1.443 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.371 -0.959 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.757 -1.289 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.773 -5.857 2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.832 -5.248 3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.538 -5.850 2.239 1.00 0.00 H new ATOM 318 N VAL A 21 -10.439 -1.425 5.271 1.00 0.00 N ATOM 319 CA VAL A 21 -10.852 -0.134 5.812 1.00 0.00 C ATOM 320 C VAL A 21 -9.725 0.889 5.668 1.00 0.00 C ATOM 321 O VAL A 21 -9.914 2.081 5.912 1.00 0.00 O ATOM 322 CB VAL A 21 -11.279 -0.230 7.296 1.00 0.00 C ATOM 323 CG1 VAL A 21 -12.524 -1.091 7.449 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.140 -0.762 8.150 1.00 0.00 C ATOM 0 H VAL A 21 -9.618 -1.828 5.722 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.719 0.189 5.236 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.522 0.774 7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.804 -1.143 8.501 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.342 -0.653 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.320 -2.095 7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.462 -0.821 9.190 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.856 -1.755 7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.284 -0.092 8.073 1.00 0.00 H new ATOM 334 N GLY A 22 -8.553 0.413 5.259 1.00 0.00 N ATOM 335 CA GLY A 22 -7.414 1.294 5.064 1.00 0.00 C ATOM 336 C GLY A 22 -6.385 0.673 4.144 1.00 0.00 C ATOM 337 O GLY A 22 -6.360 -0.546 3.970 1.00 0.00 O ATOM 0 H GLY A 22 -8.371 -0.570 5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.753 2.242 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.955 1.517 6.027 1.00 0.00 H new ATOM 341 N PHE A 23 -5.533 1.496 3.559 1.00 0.00 N ATOM 342 CA PHE A 23 -4.538 1.024 2.623 1.00 0.00 C ATOM 343 C PHE A 23 -3.265 1.855 2.704 1.00 0.00 C ATOM 344 O PHE A 23 -3.297 3.084 2.712 1.00 0.00 O ATOM 345 CB PHE A 23 -5.146 1.049 1.234 1.00 0.00 C ATOM 346 CG PHE A 23 -4.156 1.285 0.164 1.00 0.00 C ATOM 347 CD1 PHE A 23 -3.421 0.239 -0.351 1.00 0.00 C ATOM 348 CD2 PHE A 23 -3.960 2.559 -0.317 1.00 0.00 C ATOM 349 CE1 PHE A 23 -2.493 0.463 -1.333 1.00 0.00 C ATOM 350 CE2 PHE A 23 -3.033 2.793 -1.301 1.00 0.00 C ATOM 351 CZ PHE A 23 -2.302 1.740 -1.807 1.00 0.00 C ATOM 0 H PHE A 23 -5.514 2.503 3.720 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.247 0.003 2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.650 0.101 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.907 1.828 1.193 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.578 -0.762 0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.539 3.379 0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.915 -0.357 -1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.877 3.794 -1.676 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.572 1.919 -2.583 1.00 0.00 H new ATOM 361 N THR A 24 -2.159 1.146 2.800 1.00 0.00 N ATOM 362 CA THR A 24 -0.838 1.728 2.768 1.00 0.00 C ATOM 363 C THR A 24 -0.019 0.966 1.740 1.00 0.00 C ATOM 364 O THR A 24 -0.208 -0.235 1.581 1.00 0.00 O ATOM 365 CB THR A 24 -0.150 1.632 4.146 1.00 0.00 C ATOM 366 OG1 THR A 24 -0.993 2.208 5.149 1.00 0.00 O ATOM 367 CG2 THR A 24 1.194 2.345 4.141 1.00 0.00 C ATOM 0 H THR A 24 -2.156 0.131 2.904 1.00 0.00 H new ATOM 0 HA THR A 24 -0.914 2.784 2.508 1.00 0.00 H new ATOM 0 HB THR A 24 0.021 0.578 4.367 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.545 1.507 5.554 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.655 2.260 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.845 1.889 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.047 3.398 3.899 1.00 0.00 H new ATOM 375 N ARG A 25 0.857 1.629 1.015 1.00 0.00 N ATOM 376 CA ARG A 25 1.687 0.915 0.058 1.00 0.00 C ATOM 377 C ARG A 25 3.165 1.228 0.260 1.00 0.00 C ATOM 378 O ARG A 25 3.583 2.387 0.208 1.00 0.00 O ATOM 379 CB ARG A 25 1.251 1.204 -1.385 1.00 0.00 C ATOM 380 CG ARG A 25 1.422 2.646 -1.832 1.00 0.00 C ATOM 381 CD ARG A 25 0.976 2.829 -3.274 1.00 0.00 C ATOM 382 NE ARG A 25 1.571 1.831 -4.162 1.00 0.00 N ATOM 383 CZ ARG A 25 1.421 1.824 -5.483 1.00 0.00 C ATOM 384 NH1 ARG A 25 0.668 2.752 -6.075 1.00 0.00 N ATOM 385 NH2 ARG A 25 2.013 0.881 -6.210 1.00 0.00 N ATOM 0 H ARG A 25 1.014 2.636 1.064 1.00 0.00 H new ATOM 0 HA ARG A 25 1.549 -0.151 0.238 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.821 0.562 -2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.202 0.928 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.842 3.302 -1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.467 2.940 -1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.111 2.761 -3.329 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.251 3.827 -3.615 1.00 0.00 H new ATOM 0 HE ARG A 25 2.137 1.094 -3.741 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.206 3.468 -5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.554 2.746 -7.089 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.580 0.166 -5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.900 0.872 -7.224 1.00 0.00 H new ATOM 399 N GLN A 26 3.953 0.189 0.510 1.00 0.00 N ATOM 400 CA GLN A 26 5.390 0.350 0.664 1.00 0.00 C ATOM 401 C GLN A 26 6.102 0.015 -0.640 1.00 0.00 C ATOM 402 O GLN A 26 5.937 -1.072 -1.192 1.00 0.00 O ATOM 403 CB GLN A 26 5.939 -0.494 1.820 1.00 0.00 C ATOM 404 CG GLN A 26 5.561 -1.953 1.783 1.00 0.00 C ATOM 405 CD GLN A 26 4.335 -2.256 2.615 1.00 0.00 C ATOM 406 OE1 GLN A 26 3.210 -2.192 2.132 1.00 0.00 O ATOM 407 NE2 GLN A 26 4.550 -2.587 3.878 1.00 0.00 N ATOM 0 H GLN A 26 3.621 -0.770 0.610 1.00 0.00 H new ATOM 0 HA GLN A 26 5.583 1.394 0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.026 -0.416 1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.588 -0.067 2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.378 -2.251 0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.398 -2.551 2.144 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.503 -2.628 4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.763 -2.801 4.490 1.00 0.00 H new ATOM 416 N LEU A 27 6.881 0.963 -1.132 1.00 0.00 N ATOM 417 CA LEU A 27 7.554 0.812 -2.411 1.00 0.00 C ATOM 418 C LEU A 27 9.027 0.500 -2.204 1.00 0.00 C ATOM 419 O LEU A 27 9.592 0.805 -1.153 1.00 0.00 O ATOM 420 CB LEU A 27 7.409 2.095 -3.237 1.00 0.00 C ATOM 421 CG LEU A 27 5.968 2.540 -3.504 1.00 0.00 C ATOM 422 CD1 LEU A 27 5.947 3.835 -4.300 1.00 0.00 C ATOM 423 CD2 LEU A 27 5.202 1.457 -4.242 1.00 0.00 C ATOM 0 H LEU A 27 7.064 1.850 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 27 7.091 -0.016 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.931 2.901 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.911 1.951 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 27 5.483 2.715 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.915 4.135 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.459 4.616 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.452 3.684 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.181 1.792 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.690 1.251 -5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.185 0.549 -3.640 1.00 0.00 H new ATOM 435 N ALA A 28 9.657 -0.066 -3.227 1.00 0.00 N ATOM 436 CA ALA A 28 11.076 -0.405 -3.172 1.00 0.00 C ATOM 437 C ALA A 28 11.935 0.839 -3.377 1.00 0.00 C ATOM 438 O ALA A 28 13.027 0.779 -3.939 1.00 0.00 O ATOM 439 CB ALA A 28 11.393 -1.449 -4.230 1.00 0.00 C ATOM 0 H ALA A 28 9.205 -0.301 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 28 11.303 -0.814 -2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.453 -1.700 -4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.800 -2.345 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.154 -1.052 -5.216 1.00 0.00 H new ATOM 445 N ASN A 29 11.426 1.965 -2.906 1.00 0.00 N ATOM 446 CA ASN A 29 12.067 3.253 -3.115 1.00 0.00 C ATOM 447 C ASN A 29 12.495 3.875 -1.793 1.00 0.00 C ATOM 448 O ASN A 29 13.485 4.596 -1.733 1.00 0.00 O ATOM 449 CB ASN A 29 11.115 4.216 -3.835 1.00 0.00 C ATOM 450 CG ASN A 29 10.929 3.918 -5.316 1.00 0.00 C ATOM 451 OD1 ASN A 29 10.659 4.825 -6.105 1.00 0.00 O ATOM 452 ND2 ASN A 29 11.059 2.660 -5.709 1.00 0.00 N ATOM 0 H ASN A 29 10.560 2.013 -2.370 1.00 0.00 H new ATOM 0 HA ASN A 29 12.951 3.083 -3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.142 4.182 -3.344 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.493 5.233 -3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.935 2.417 -6.692 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.283 1.934 -5.029 1.00 0.00 H new ATOM 459 N GLU A 30 11.754 3.577 -0.732 1.00 0.00 N ATOM 460 CA GLU A 30 11.934 4.271 0.539 1.00 0.00 C ATOM 461 C GLU A 30 12.677 3.411 1.564 1.00 0.00 C ATOM 462 O GLU A 30 12.453 3.542 2.768 1.00 0.00 O ATOM 463 CB GLU A 30 10.570 4.701 1.092 1.00 0.00 C ATOM 464 CG GLU A 30 9.824 5.661 0.175 1.00 0.00 C ATOM 465 CD GLU A 30 8.564 6.219 0.806 1.00 0.00 C ATOM 466 OE1 GLU A 30 8.677 7.143 1.633 1.00 0.00 O ATOM 467 OE2 GLU A 30 7.456 5.757 0.464 1.00 0.00 O ATOM 0 H GLU A 30 11.026 2.863 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 30 12.548 5.152 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.956 3.815 1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.712 5.174 2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.485 6.485 -0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.564 5.145 -0.749 1.00 0.00 H new ATOM 474 N GLY A 31 13.563 2.545 1.087 1.00 0.00 N ATOM 475 CA GLY A 31 14.391 1.769 1.991 1.00 0.00 C ATOM 476 C GLY A 31 14.450 0.304 1.618 1.00 0.00 C ATOM 477 O GLY A 31 15.522 -0.241 1.348 1.00 0.00 O ATOM 0 H GLY A 31 13.723 2.367 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 31 15.401 2.179 1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.004 1.866 3.005 1.00 0.00 H new ATOM 481 N CYS A 32 13.292 -0.335 1.608 1.00 0.00 N ATOM 482 CA CYS A 32 13.185 -1.740 1.246 1.00 0.00 C ATOM 483 C CYS A 32 13.440 -1.943 -0.244 1.00 0.00 C ATOM 484 O CYS A 32 12.999 -1.142 -1.065 1.00 0.00 O ATOM 485 CB CYS A 32 11.799 -2.261 1.630 1.00 0.00 C ATOM 486 SG CYS A 32 10.535 -0.958 1.731 1.00 0.00 S ATOM 0 H CYS A 32 12.403 0.103 1.849 1.00 0.00 H new ATOM 0 HA CYS A 32 13.944 -2.302 1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 32 11.484 -3.005 0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 32 11.864 -2.768 2.593 1.00 0.00 H new ATOM 491 N ASP A 33 14.170 -3.002 -0.583 1.00 0.00 N ATOM 492 CA ASP A 33 14.426 -3.346 -1.987 1.00 0.00 C ATOM 493 C ASP A 33 13.222 -4.071 -2.556 1.00 0.00 C ATOM 494 O ASP A 33 13.058 -4.185 -3.770 1.00 0.00 O ATOM 495 CB ASP A 33 15.660 -4.246 -2.130 1.00 0.00 C ATOM 496 CG ASP A 33 16.456 -4.383 -0.850 1.00 0.00 C ATOM 497 OD1 ASP A 33 16.075 -5.213 0.007 1.00 0.00 O ATOM 498 OD2 ASP A 33 17.469 -3.674 -0.696 1.00 0.00 O ATOM 0 H ASP A 33 14.596 -3.639 0.091 1.00 0.00 H new ATOM 0 HA ASP A 33 14.609 -2.420 -2.531 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.343 -5.235 -2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 33 16.306 -3.843 -2.910 1.00 0.00 H new ATOM 503 N ILE A 34 12.400 -4.591 -1.662 1.00 0.00 N ATOM 504 CA ILE A 34 11.163 -5.243 -2.048 1.00 0.00 C ATOM 505 C ILE A 34 10.017 -4.256 -1.905 1.00 0.00 C ATOM 506 O ILE A 34 10.213 -3.148 -1.413 1.00 0.00 O ATOM 507 CB ILE A 34 10.881 -6.492 -1.178 1.00 0.00 C ATOM 508 CG1 ILE A 34 10.380 -6.096 0.214 1.00 0.00 C ATOM 509 CG2 ILE A 34 12.141 -7.333 -1.049 1.00 0.00 C ATOM 510 CD1 ILE A 34 10.001 -7.281 1.072 1.00 0.00 C ATOM 0 H ILE A 34 12.570 -4.573 -0.656 1.00 0.00 H new ATOM 0 HA ILE A 34 11.257 -5.571 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 34 10.102 -7.075 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.155 -5.522 0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.515 -5.441 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 34 11.932 -8.209 -0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 34 12.468 -7.653 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 34 12.927 -6.741 -0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.655 -6.930 2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.205 -7.843 0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.870 -7.925 1.207 1.00 0.00 H new ATOM 522 N ASN A 35 8.832 -4.648 -2.326 1.00 0.00 N ATOM 523 CA ASN A 35 7.664 -3.806 -2.162 1.00 0.00 C ATOM 524 C ASN A 35 6.453 -4.659 -1.843 1.00 0.00 C ATOM 525 O ASN A 35 6.351 -5.796 -2.301 1.00 0.00 O ATOM 526 CB ASN A 35 7.413 -2.940 -3.408 1.00 0.00 C ATOM 527 CG ASN A 35 7.189 -3.747 -4.675 1.00 0.00 C ATOM 528 OD1 ASN A 35 6.059 -4.103 -5.008 1.00 0.00 O ATOM 529 ND2 ASN A 35 8.261 -4.011 -5.407 1.00 0.00 N ATOM 0 H ASN A 35 8.652 -5.542 -2.783 1.00 0.00 H new ATOM 0 HA ASN A 35 7.847 -3.127 -1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.543 -2.308 -3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.265 -2.276 -3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.167 -4.527 -6.282 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.181 -3.698 -5.096 1.00 0.00 H new ATOM 536 N ALA A 36 5.568 -4.123 -1.024 1.00 0.00 N ATOM 537 CA ALA A 36 4.344 -4.825 -0.645 1.00 0.00 C ATOM 538 C ALA A 36 3.186 -3.839 -0.541 1.00 0.00 C ATOM 539 O ALA A 36 3.374 -2.630 -0.706 1.00 0.00 O ATOM 540 CB ALA A 36 4.528 -5.549 0.683 1.00 0.00 C ATOM 0 H ALA A 36 5.670 -3.199 -0.604 1.00 0.00 H new ATOM 0 HA ALA A 36 4.119 -5.563 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.605 -6.065 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.337 -6.274 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.774 -4.826 1.461 1.00 0.00 H new ATOM 546 N ILE A 37 1.999 -4.353 -0.261 1.00 0.00 N ATOM 547 CA ILE A 37 0.829 -3.514 -0.040 1.00 0.00 C ATOM 548 C ILE A 37 0.256 -3.805 1.345 1.00 0.00 C ATOM 549 O ILE A 37 0.122 -4.960 1.724 1.00 0.00 O ATOM 550 CB ILE A 37 -0.261 -3.774 -1.108 1.00 0.00 C ATOM 551 CG1 ILE A 37 0.296 -3.563 -2.522 1.00 0.00 C ATOM 552 CG2 ILE A 37 -1.470 -2.880 -0.871 1.00 0.00 C ATOM 553 CD1 ILE A 37 0.732 -2.139 -2.815 1.00 0.00 C ATOM 0 H ILE A 37 1.819 -5.354 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 37 1.137 -2.471 -0.113 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.579 -4.813 -1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.147 -4.228 -2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.464 -3.854 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.224 -3.079 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.887 -3.086 0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.166 -1.835 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.113 -2.077 -3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.120 -1.468 -2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.517 -1.848 -2.117 1.00 0.00 H new ATOM 565 N ILE A 38 -0.053 -2.773 2.108 1.00 0.00 N ATOM 566 CA ILE A 38 -0.681 -2.963 3.408 1.00 0.00 C ATOM 567 C ILE A 38 -2.170 -2.677 3.315 1.00 0.00 C ATOM 568 O ILE A 38 -2.593 -1.519 3.324 1.00 0.00 O ATOM 569 CB ILE A 38 -0.080 -2.059 4.511 1.00 0.00 C ATOM 570 CG1 ILE A 38 1.415 -2.313 4.672 1.00 0.00 C ATOM 571 CG2 ILE A 38 -0.795 -2.309 5.836 1.00 0.00 C ATOM 572 CD1 ILE A 38 2.081 -1.390 5.669 1.00 0.00 C ATOM 0 H ILE A 38 0.118 -1.800 1.855 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.496 -4.001 3.685 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.220 -1.020 4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.568 -3.345 4.986 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.901 -2.199 3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.366 -1.669 6.607 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.856 -2.083 5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.674 -3.354 6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.143 -1.628 5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.959 -0.356 5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.621 -1.520 6.649 1.00 0.00 H new ATOM 584 N PHE A 39 -2.960 -3.723 3.202 1.00 0.00 N ATOM 585 CA PHE A 39 -4.400 -3.571 3.265 1.00 0.00 C ATOM 586 C PHE A 39 -4.852 -3.749 4.706 1.00 0.00 C ATOM 587 O PHE A 39 -4.710 -4.823 5.287 1.00 0.00 O ATOM 588 CB PHE A 39 -5.117 -4.567 2.352 1.00 0.00 C ATOM 589 CG PHE A 39 -5.053 -4.226 0.881 1.00 0.00 C ATOM 590 CD1 PHE A 39 -5.148 -2.908 0.434 1.00 0.00 C ATOM 591 CD2 PHE A 39 -4.916 -5.232 -0.059 1.00 0.00 C ATOM 592 CE1 PHE A 39 -5.104 -2.617 -0.923 1.00 0.00 C ATOM 593 CE2 PHE A 39 -4.867 -4.943 -1.408 1.00 0.00 C ATOM 594 CZ PHE A 39 -4.960 -3.638 -1.838 1.00 0.00 C ATOM 0 H PHE A 39 -2.635 -4.680 3.067 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.660 -2.573 2.914 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.683 -5.556 2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.163 -4.629 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.257 -2.107 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.846 -6.259 0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.182 -1.594 -1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.756 -5.741 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.920 -3.414 -2.894 1.00 0.00 H new ATOM 604 N HIS A 40 -5.363 -2.680 5.288 1.00 0.00 N ATOM 605 CA HIS A 40 -5.765 -2.690 6.685 1.00 0.00 C ATOM 606 C HIS A 40 -7.197 -3.198 6.789 1.00 0.00 C ATOM 607 O HIS A 40 -8.125 -2.548 6.299 1.00 0.00 O ATOM 608 CB HIS A 40 -5.662 -1.281 7.301 1.00 0.00 C ATOM 609 CG HIS A 40 -4.333 -0.602 7.106 1.00 0.00 C ATOM 610 ND1 HIS A 40 -3.479 -0.286 8.140 1.00 0.00 N ATOM 611 CD2 HIS A 40 -3.737 -0.138 5.984 1.00 0.00 C ATOM 612 CE1 HIS A 40 -2.420 0.340 7.653 1.00 0.00 C ATOM 613 NE2 HIS A 40 -2.553 0.444 6.351 1.00 0.00 N ATOM 0 H HIS A 40 -5.511 -1.789 4.814 1.00 0.00 H new ATOM 0 HA HIS A 40 -5.096 -3.349 7.238 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -6.442 -0.653 6.869 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -5.865 -1.351 8.370 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -3.638 -0.501 9.124 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.125 -0.213 4.979 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.584 0.705 8.231 1.00 0.00 H new ATOM 622 N THR A 41 -7.366 -4.364 7.399 1.00 0.00 N ATOM 623 CA THR A 41 -8.676 -4.982 7.515 1.00 0.00 C ATOM 624 C THR A 41 -9.479 -4.363 8.640 1.00 0.00 C ATOM 625 O THR A 41 -8.930 -3.708 9.531 1.00 0.00 O ATOM 626 CB THR A 41 -8.572 -6.502 7.747 1.00 0.00 C ATOM 627 OG1 THR A 41 -7.741 -6.772 8.879 1.00 0.00 O ATOM 628 CG2 THR A 41 -8.017 -7.201 6.516 1.00 0.00 C ATOM 0 H THR A 41 -6.608 -4.900 7.822 1.00 0.00 H new ATOM 0 HA THR A 41 -9.187 -4.805 6.568 1.00 0.00 H new ATOM 0 HB THR A 41 -9.573 -6.887 7.939 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.800 -6.670 8.626 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.953 -8.273 6.704 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.676 -7.020 5.667 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.024 -6.812 6.293 1.00 0.00 H new ATOM 636 N LYS A 42 -10.786 -4.583 8.597 1.00 0.00 N ATOM 637 CA LYS A 42 -11.677 -4.125 9.652 1.00 0.00 C ATOM 638 C LYS A 42 -11.434 -4.935 10.923 1.00 0.00 C ATOM 639 O LYS A 42 -12.040 -4.688 11.965 1.00 0.00 O ATOM 640 CB LYS A 42 -13.135 -4.253 9.203 1.00 0.00 C ATOM 641 CG LYS A 42 -14.098 -3.411 10.026 1.00 0.00 C ATOM 642 CD LYS A 42 -15.531 -3.566 9.551 1.00 0.00 C ATOM 643 CE LYS A 42 -16.460 -2.593 10.265 1.00 0.00 C ATOM 644 NZ LYS A 42 -16.503 -2.829 11.734 1.00 0.00 N ATOM 0 H LYS A 42 -11.254 -5.079 7.838 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.473 -3.075 9.862 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.212 -3.960 8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.435 -5.299 9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.029 -3.701 11.074 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.807 -2.362 9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.580 -3.396 8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.866 -4.588 9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.131 -1.572 10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.465 -2.686 9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.222 -2.213 12.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.744 -3.824 11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.573 -2.616 12.147 1.00 0.00 H new ATOM 658 N LYS A 43 -10.534 -5.906 10.824 1.00 0.00 N ATOM 659 CA LYS A 43 -10.143 -6.707 11.966 1.00 0.00 C ATOM 660 C LYS A 43 -8.902 -6.123 12.638 1.00 0.00 C ATOM 661 O LYS A 43 -8.345 -6.725 13.554 1.00 0.00 O ATOM 662 CB LYS A 43 -9.888 -8.159 11.554 1.00 0.00 C ATOM 663 CG LYS A 43 -11.131 -8.887 11.068 1.00 0.00 C ATOM 664 CD LYS A 43 -10.879 -10.378 10.922 1.00 0.00 C ATOM 665 CE LYS A 43 -12.120 -11.101 10.431 1.00 0.00 C ATOM 666 NZ LYS A 43 -11.938 -12.575 10.395 1.00 0.00 N ATOM 0 H LYS A 43 -10.061 -6.155 9.955 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.965 -6.692 12.682 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.137 -8.176 10.765 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.471 -8.700 12.403 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.949 -8.722 11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.445 -8.474 10.109 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.059 -10.544 10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.570 -10.792 11.881 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.961 -10.857 11.081 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.374 -10.744 9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.811 -13.024 10.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.153 -12.812 9.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.722 -12.922 11.351 1.00 0.00 H new ATOM 680 N LYS A 44 -8.496 -4.936 12.175 1.00 0.00 N ATOM 681 CA LYS A 44 -7.330 -4.214 12.707 1.00 0.00 C ATOM 682 C LYS A 44 -6.031 -4.885 12.280 1.00 0.00 C ATOM 683 O LYS A 44 -4.950 -4.518 12.739 1.00 0.00 O ATOM 684 CB LYS A 44 -7.380 -4.104 14.238 1.00 0.00 C ATOM 685 CG LYS A 44 -8.685 -3.534 14.775 1.00 0.00 C ATOM 686 CD LYS A 44 -8.737 -3.583 16.295 1.00 0.00 C ATOM 687 CE LYS A 44 -8.480 -4.991 16.824 1.00 0.00 C ATOM 688 NZ LYS A 44 -9.407 -6.005 16.249 1.00 0.00 N ATOM 0 H LYS A 44 -8.968 -4.444 11.416 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.362 -3.207 12.291 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.223 -5.093 14.668 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.555 -3.475 14.574 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.797 -2.503 14.440 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.524 -4.095 14.364 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.995 -2.899 16.707 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.713 -3.238 16.637 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.452 -5.276 16.598 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.579 -4.990 17.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.441 -6.837 16.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.360 -5.596 16.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.069 -6.290 15.308 1.00 0.00 H new ATOM 702 N LEU A 45 -6.140 -5.858 11.388 1.00 0.00 N ATOM 703 CA LEU A 45 -4.979 -6.593 10.925 1.00 0.00 C ATOM 704 C LEU A 45 -4.469 -5.995 9.626 1.00 0.00 C ATOM 705 O LEU A 45 -5.204 -5.912 8.637 1.00 0.00 O ATOM 706 CB LEU A 45 -5.322 -8.072 10.714 1.00 0.00 C ATOM 707 CG LEU A 45 -5.821 -8.819 11.951 1.00 0.00 C ATOM 708 CD1 LEU A 45 -6.196 -10.253 11.597 1.00 0.00 C ATOM 709 CD2 LEU A 45 -4.768 -8.788 13.049 1.00 0.00 C ATOM 0 H LEU A 45 -7.023 -6.155 10.972 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.202 -6.521 11.686 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.084 -8.142 9.938 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.435 -8.582 10.337 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.716 -8.319 12.321 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.549 -10.768 12.491 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.986 -10.248 10.846 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.322 -10.770 11.201 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.138 -9.324 13.923 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.855 -9.264 12.691 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.556 -7.754 13.320 1.00 0.00 H new ATOM 721 N SER A 46 -3.224 -5.553 9.638 1.00 0.00 N ATOM 722 CA SER A 46 -2.585 -5.046 8.442 1.00 0.00 C ATOM 723 C SER A 46 -2.102 -6.210 7.582 1.00 0.00 C ATOM 724 O SER A 46 -1.128 -6.888 7.910 1.00 0.00 O ATOM 725 CB SER A 46 -1.436 -4.112 8.830 1.00 0.00 C ATOM 726 OG SER A 46 -0.844 -4.519 10.055 1.00 0.00 O ATOM 0 H SER A 46 -2.634 -5.536 10.470 1.00 0.00 H new ATOM 0 HA SER A 46 -3.300 -4.472 7.853 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.683 -4.108 8.042 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.807 -3.091 8.922 1.00 0.00 H new ATOM 0 HG SER A 46 -0.111 -3.909 10.283 1.00 0.00 H new ATOM 732 N VAL A 47 -2.815 -6.460 6.494 1.00 0.00 N ATOM 733 CA VAL A 47 -2.516 -7.585 5.631 1.00 0.00 C ATOM 734 C VAL A 47 -1.456 -7.214 4.609 1.00 0.00 C ATOM 735 O VAL A 47 -1.564 -6.186 3.938 1.00 0.00 O ATOM 736 CB VAL A 47 -3.782 -8.078 4.899 1.00 0.00 C ATOM 737 CG1 VAL A 47 -3.453 -9.195 3.922 1.00 0.00 C ATOM 738 CG2 VAL A 47 -4.824 -8.542 5.901 1.00 0.00 C ATOM 0 H VAL A 47 -3.607 -5.894 6.190 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.139 -8.389 6.264 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.188 -7.242 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.365 -9.521 3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.742 -8.832 3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.016 -10.034 4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.711 -8.887 5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.417 -9.359 6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.093 -7.714 6.557 1.00 0.00 H new ATOM 748 N CYS A 48 -0.430 -8.047 4.488 1.00 0.00 N ATOM 749 CA CYS A 48 0.603 -7.816 3.503 1.00 0.00 C ATOM 750 C CYS A 48 0.132 -8.338 2.158 1.00 0.00 C ATOM 751 O CYS A 48 0.264 -9.524 1.836 1.00 0.00 O ATOM 752 CB CYS A 48 1.926 -8.463 3.916 1.00 0.00 C ATOM 753 SG CYS A 48 2.520 -7.940 5.557 1.00 0.00 S ATOM 0 H CYS A 48 -0.297 -8.882 5.059 1.00 0.00 H new ATOM 0 HA CYS A 48 0.788 -6.744 3.428 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.807 -9.546 3.911 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.685 -8.223 3.172 1.00 0.00 H new ATOM 758 N ALA A 49 -0.473 -7.445 1.406 1.00 0.00 N ATOM 759 CA ALA A 49 -0.980 -7.746 0.095 1.00 0.00 C ATOM 760 C ALA A 49 0.184 -7.955 -0.858 1.00 0.00 C ATOM 761 O ALA A 49 1.212 -7.286 -0.749 1.00 0.00 O ATOM 762 CB ALA A 49 -1.883 -6.613 -0.362 1.00 0.00 C ATOM 0 H ALA A 49 -0.626 -6.479 1.696 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.569 -8.663 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.271 -6.835 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.713 -6.505 0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.313 -5.684 -0.394 1.00 0.00 H new ATOM 768 N ASN A 50 0.037 -8.900 -1.774 1.00 0.00 N ATOM 769 CA ASN A 50 1.135 -9.267 -2.653 1.00 0.00 C ATOM 770 C ASN A 50 1.212 -8.279 -3.808 1.00 0.00 C ATOM 771 O ASN A 50 0.211 -7.670 -4.170 1.00 0.00 O ATOM 772 CB ASN A 50 0.979 -10.687 -3.236 1.00 0.00 C ATOM 773 CG ASN A 50 0.264 -11.702 -2.350 1.00 0.00 C ATOM 774 OD1 ASN A 50 -0.240 -12.704 -2.845 1.00 0.00 O ATOM 775 ND2 ASN A 50 0.165 -11.452 -1.059 1.00 0.00 N ATOM 0 H ASN A 50 -0.825 -9.423 -1.927 1.00 0.00 H new ATOM 0 HA ASN A 50 2.044 -9.246 -2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.437 -10.613 -4.179 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.971 -11.073 -3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.339 -12.098 -0.452 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.592 -10.612 -0.668 1.00 0.00 H new ATOM 782 N PRO A 51 2.404 -8.070 -4.372 1.00 0.00 N ATOM 783 CA PRO A 51 2.562 -7.341 -5.616 1.00 0.00 C ATOM 784 C PRO A 51 2.490 -8.249 -6.852 1.00 0.00 C ATOM 785 O PRO A 51 3.229 -8.051 -7.814 1.00 0.00 O ATOM 786 CB PRO A 51 3.966 -6.744 -5.513 1.00 0.00 C ATOM 787 CG PRO A 51 4.594 -7.327 -4.283 1.00 0.00 C ATOM 788 CD PRO A 51 3.695 -8.433 -3.805 1.00 0.00 C ATOM 0 HA PRO A 51 1.766 -6.607 -5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.554 -6.984 -6.399 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.920 -5.657 -5.446 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.590 -7.710 -4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.709 -6.565 -3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.031 -9.408 -4.158 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.659 -8.483 -2.717 1.00 0.00 H new ATOM 796 N LYS A 52 1.596 -9.232 -6.830 1.00 0.00 N ATOM 797 CA LYS A 52 1.490 -10.204 -7.925 1.00 0.00 C ATOM 798 C LYS A 52 0.035 -10.383 -8.369 1.00 0.00 C ATOM 799 O LYS A 52 -0.398 -9.811 -9.366 1.00 0.00 O ATOM 800 CB LYS A 52 2.043 -11.564 -7.494 1.00 0.00 C ATOM 801 CG LYS A 52 3.489 -11.545 -7.041 1.00 0.00 C ATOM 802 CD LYS A 52 3.916 -12.910 -6.520 1.00 0.00 C ATOM 803 CE LYS A 52 5.357 -12.899 -6.043 1.00 0.00 C ATOM 804 NZ LYS A 52 6.327 -12.766 -7.162 1.00 0.00 N ATOM 0 H LYS A 52 0.933 -9.381 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 52 2.074 -9.815 -8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.427 -11.951 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.946 -12.261 -8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.130 -11.252 -7.872 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.619 -10.797 -6.259 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.263 -13.208 -5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.798 -13.654 -7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.499 -12.075 -5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.562 -13.819 -5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.296 -12.815 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.179 -13.538 -7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.185 -11.852 -7.638 1.00 0.00 H new ATOM 818 N GLN A 53 -0.690 -11.201 -7.604 1.00 0.00 N ATOM 819 CA GLN A 53 -2.118 -11.482 -7.801 1.00 0.00 C ATOM 820 C GLN A 53 -2.938 -10.245 -8.191 1.00 0.00 C ATOM 821 O GLN A 53 -2.767 -9.154 -7.643 1.00 0.00 O ATOM 822 CB GLN A 53 -2.689 -12.125 -6.528 1.00 0.00 C ATOM 823 CG GLN A 53 -1.827 -11.905 -5.287 1.00 0.00 C ATOM 824 CD GLN A 53 -1.680 -10.447 -4.916 1.00 0.00 C ATOM 825 OE1 GLN A 53 -0.841 -9.739 -5.449 1.00 0.00 O ATOM 826 NE2 GLN A 53 -2.435 -10.011 -3.948 1.00 0.00 N ATOM 0 H GLN A 53 -0.292 -11.701 -6.809 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.197 -12.170 -8.643 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.685 -11.722 -6.344 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.805 -13.196 -6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.265 -12.445 -4.448 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.839 -12.331 -5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.127 -10.628 -3.523 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.334 -9.052 -3.615 1.00 0.00 H new ATOM 835 N THR A 54 -3.861 -10.450 -9.125 1.00 0.00 N ATOM 836 CA THR A 54 -4.618 -9.363 -9.731 1.00 0.00 C ATOM 837 C THR A 54 -5.700 -8.793 -8.824 1.00 0.00 C ATOM 838 O THR A 54 -6.200 -7.696 -9.077 1.00 0.00 O ATOM 839 CB THR A 54 -5.258 -9.828 -11.041 1.00 0.00 C ATOM 840 OG1 THR A 54 -5.569 -11.226 -10.955 1.00 0.00 O ATOM 841 CG2 THR A 54 -4.329 -9.563 -12.214 1.00 0.00 C ATOM 0 H THR A 54 -4.104 -11.374 -9.482 1.00 0.00 H new ATOM 0 HA THR A 54 -3.899 -8.565 -9.915 1.00 0.00 H new ATOM 0 HB THR A 54 -6.178 -9.266 -11.204 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.811 -11.751 -11.287 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.802 -9.901 -13.136 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.124 -8.495 -12.281 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.394 -10.104 -12.067 1.00 0.00 H new ATOM 849 N TRP A 55 -6.075 -9.518 -7.779 1.00 0.00 N ATOM 850 CA TRP A 55 -7.051 -8.994 -6.840 1.00 0.00 C ATOM 851 C TRP A 55 -6.476 -7.784 -6.132 1.00 0.00 C ATOM 852 O TRP A 55 -7.197 -6.853 -5.782 1.00 0.00 O ATOM 853 CB TRP A 55 -7.514 -10.056 -5.857 1.00 0.00 C ATOM 854 CG TRP A 55 -6.464 -10.511 -4.916 1.00 0.00 C ATOM 855 CD1 TRP A 55 -5.606 -11.524 -5.072 1.00 0.00 C ATOM 856 CD2 TRP A 55 -6.172 -9.941 -3.677 1.00 0.00 C ATOM 857 NE1 TRP A 55 -4.820 -11.650 -3.978 1.00 0.00 N ATOM 858 CE2 TRP A 55 -5.141 -10.675 -3.100 1.00 0.00 C ATOM 859 CE3 TRP A 55 -6.694 -8.888 -3.006 1.00 0.00 C ATOM 860 CZ2 TRP A 55 -4.620 -10.369 -1.862 1.00 0.00 C ATOM 861 CZ3 TRP A 55 -6.197 -8.575 -1.806 1.00 0.00 C ATOM 862 CH2 TRP A 55 -5.167 -9.301 -1.224 1.00 0.00 C ATOM 0 H TRP A 55 -5.725 -10.452 -7.564 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.937 -8.684 -7.395 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.354 -9.663 -5.284 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.883 -10.916 -6.416 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.548 -12.153 -5.948 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -4.104 -12.363 -3.839 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.500 -8.310 -3.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -3.820 -10.946 -1.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.609 -7.731 -1.272 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.795 -9.013 -0.252 1.00 0.00 H new ATOM 873 N VAL A 56 -5.165 -7.790 -5.960 1.00 0.00 N ATOM 874 CA VAL A 56 -4.476 -6.646 -5.417 1.00 0.00 C ATOM 875 C VAL A 56 -4.459 -5.521 -6.436 1.00 0.00 C ATOM 876 O VAL A 56 -4.804 -4.391 -6.114 1.00 0.00 O ATOM 877 CB VAL A 56 -3.044 -7.011 -4.980 1.00 0.00 C ATOM 878 CG1 VAL A 56 -2.024 -5.979 -5.431 1.00 0.00 C ATOM 879 CG2 VAL A 56 -2.999 -7.156 -3.479 1.00 0.00 C ATOM 0 H VAL A 56 -4.561 -8.579 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.013 -6.310 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.781 -7.955 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.030 -6.280 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.037 -5.906 -6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.272 -5.009 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.987 -7.414 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.292 -6.215 -3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.686 -7.944 -3.169 1.00 0.00 H new ATOM 889 N LYS A 57 -4.088 -5.860 -7.674 1.00 0.00 N ATOM 890 CA LYS A 57 -4.018 -4.881 -8.756 1.00 0.00 C ATOM 891 C LYS A 57 -5.347 -4.150 -8.897 1.00 0.00 C ATOM 892 O LYS A 57 -5.380 -2.962 -9.190 1.00 0.00 O ATOM 893 CB LYS A 57 -3.636 -5.558 -10.080 1.00 0.00 C ATOM 894 CG LYS A 57 -2.257 -6.205 -10.053 1.00 0.00 C ATOM 895 CD LYS A 57 -1.890 -6.810 -11.401 1.00 0.00 C ATOM 896 CE LYS A 57 -0.544 -7.520 -11.352 1.00 0.00 C ATOM 897 NZ LYS A 57 0.583 -6.576 -11.130 1.00 0.00 N ATOM 0 H LYS A 57 -3.831 -6.808 -7.950 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.244 -4.154 -8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.381 -6.317 -10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.666 -4.818 -10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.512 -5.460 -9.774 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.235 -6.981 -9.288 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.663 -7.516 -11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.860 -6.025 -12.156 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.556 -8.262 -10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.385 -8.059 -12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.485 -7.088 -11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.552 -5.823 -11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.502 -6.155 -10.182 1.00 0.00 H new ATOM 911 N TYR A 58 -6.436 -4.868 -8.656 1.00 0.00 N ATOM 912 CA TYR A 58 -7.759 -4.276 -8.668 1.00 0.00 C ATOM 913 C TYR A 58 -7.943 -3.311 -7.492 1.00 0.00 C ATOM 914 O TYR A 58 -8.253 -2.135 -7.694 1.00 0.00 O ATOM 915 CB TYR A 58 -8.822 -5.375 -8.628 1.00 0.00 C ATOM 916 CG TYR A 58 -10.196 -4.883 -8.245 1.00 0.00 C ATOM 917 CD1 TYR A 58 -10.889 -3.984 -9.044 1.00 0.00 C ATOM 918 CD2 TYR A 58 -10.796 -5.317 -7.074 1.00 0.00 C ATOM 919 CE1 TYR A 58 -12.142 -3.531 -8.683 1.00 0.00 C ATOM 920 CE2 TYR A 58 -12.045 -4.874 -6.704 1.00 0.00 C ATOM 921 CZ TYR A 58 -12.717 -3.979 -7.510 1.00 0.00 C ATOM 922 OH TYR A 58 -13.967 -3.533 -7.141 1.00 0.00 O ATOM 0 H TYR A 58 -6.424 -5.867 -8.449 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.871 -3.705 -9.589 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.877 -5.850 -9.608 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.511 -6.142 -7.919 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.441 -3.634 -9.962 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.273 -6.017 -6.439 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.669 -2.831 -9.314 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.496 -5.225 -5.788 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.224 -3.947 -6.291 1.00 0.00 H new ATOM 932 N ILE A 59 -7.739 -3.799 -6.271 1.00 0.00 N ATOM 933 CA ILE A 59 -7.986 -2.991 -5.081 1.00 0.00 C ATOM 934 C ILE A 59 -7.040 -1.792 -5.012 1.00 0.00 C ATOM 935 O ILE A 59 -7.472 -0.666 -4.774 1.00 0.00 O ATOM 936 CB ILE A 59 -7.855 -3.802 -3.772 1.00 0.00 C ATOM 937 CG1 ILE A 59 -8.773 -5.018 -3.790 1.00 0.00 C ATOM 938 CG2 ILE A 59 -8.200 -2.924 -2.576 1.00 0.00 C ATOM 939 CD1 ILE A 59 -8.482 -5.994 -2.677 1.00 0.00 C ATOM 0 H ILE A 59 -7.405 -4.744 -6.081 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.015 -2.644 -5.172 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.823 -4.144 -3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.808 -4.686 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.673 -5.528 -4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.105 -3.505 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.518 -2.074 -2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.224 -2.564 -2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.169 -6.838 -2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.457 -6.353 -2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.610 -5.498 -1.715 1.00 0.00 H new ATOM 951 N VAL A 60 -5.748 -2.027 -5.245 1.00 0.00 N ATOM 952 CA VAL A 60 -4.757 -0.969 -5.094 1.00 0.00 C ATOM 953 C VAL A 60 -4.884 0.065 -6.213 1.00 0.00 C ATOM 954 O VAL A 60 -4.570 1.232 -6.014 1.00 0.00 O ATOM 955 CB VAL A 60 -3.306 -1.516 -5.021 1.00 0.00 C ATOM 956 CG1 VAL A 60 -2.878 -2.172 -6.325 1.00 0.00 C ATOM 957 CG2 VAL A 60 -2.336 -0.406 -4.643 1.00 0.00 C ATOM 0 H VAL A 60 -5.370 -2.929 -5.535 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.965 -0.483 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.287 -2.283 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.857 -2.540 -6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.544 -3.005 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.926 -1.442 -7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.324 -0.808 -4.597 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.379 0.385 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.610 0.001 -3.670 1.00 0.00 H new ATOM 967 N ARG A 61 -5.361 -0.354 -7.382 1.00 0.00 N ATOM 968 CA ARG A 61 -5.619 0.589 -8.468 1.00 0.00 C ATOM 969 C ARG A 61 -6.799 1.481 -8.098 1.00 0.00 C ATOM 970 O ARG A 61 -6.827 2.666 -8.427 1.00 0.00 O ATOM 971 CB ARG A 61 -5.882 -0.166 -9.784 1.00 0.00 C ATOM 972 CG ARG A 61 -6.155 0.716 -11.001 1.00 0.00 C ATOM 973 CD ARG A 61 -7.620 1.113 -11.108 1.00 0.00 C ATOM 974 NE ARG A 61 -8.509 -0.051 -11.085 1.00 0.00 N ATOM 975 CZ ARG A 61 -9.837 0.022 -11.142 1.00 0.00 C ATOM 976 NH1 ARG A 61 -10.442 1.199 -11.256 1.00 0.00 N ATOM 977 NH2 ARG A 61 -10.563 -1.087 -11.093 1.00 0.00 N ATOM 0 H ARG A 61 -5.575 -1.327 -7.601 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.742 1.218 -8.618 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.020 -0.797 -10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.734 -0.830 -9.639 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.541 1.614 -10.941 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.857 0.186 -11.906 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.875 1.780 -10.285 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.778 1.671 -12.031 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.084 -0.976 -11.021 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.889 2.055 -11.300 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.460 1.247 -11.299 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.104 -1.994 -11.012 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.581 -1.033 -11.137 1.00 0.00 H new ATOM 991 N LEU A 62 -7.759 0.897 -7.390 1.00 0.00 N ATOM 992 CA LEU A 62 -8.941 1.616 -6.945 1.00 0.00 C ATOM 993 C LEU A 62 -8.580 2.587 -5.822 1.00 0.00 C ATOM 994 O LEU A 62 -9.107 3.694 -5.747 1.00 0.00 O ATOM 995 CB LEU A 62 -9.998 0.620 -6.460 1.00 0.00 C ATOM 996 CG LEU A 62 -11.349 1.231 -6.087 1.00 0.00 C ATOM 997 CD1 LEU A 62 -12.019 1.824 -7.315 1.00 0.00 C ATOM 998 CD2 LEU A 62 -12.253 0.193 -5.440 1.00 0.00 C ATOM 0 H LEU A 62 -7.738 -0.084 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.344 2.188 -7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.157 -0.124 -7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.604 0.092 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 62 -11.174 2.028 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.980 2.255 -7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.382 2.602 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.176 1.041 -8.057 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.208 0.651 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.420 -0.629 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.779 -0.189 -4.536 1.00 0.00 H new ATOM 1010 N LEU A 63 -7.672 2.159 -4.958 1.00 0.00 N ATOM 1011 CA LEU A 63 -7.268 2.956 -3.809 1.00 0.00 C ATOM 1012 C LEU A 63 -6.215 3.999 -4.183 1.00 0.00 C ATOM 1013 O LEU A 63 -6.241 5.125 -3.687 1.00 0.00 O ATOM 1014 CB LEU A 63 -6.772 2.034 -2.702 1.00 0.00 C ATOM 1015 CG LEU A 63 -7.860 1.119 -2.132 1.00 0.00 C ATOM 1016 CD1 LEU A 63 -7.279 0.146 -1.131 1.00 0.00 C ATOM 1017 CD2 LEU A 63 -8.967 1.940 -1.488 1.00 0.00 C ATOM 0 H LEU A 63 -7.198 1.259 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.135 3.509 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.959 1.420 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.358 2.639 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.285 0.548 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.072 -0.492 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.524 -0.471 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.821 0.698 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.730 1.272 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.551 2.540 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.414 2.597 -2.234 1.00 0.00 H new ATOM 1029 N SER A 64 -5.304 3.632 -5.071 1.00 0.00 N ATOM 1030 CA SER A 64 -4.289 4.553 -5.562 1.00 0.00 C ATOM 1031 C SER A 64 -4.764 5.153 -6.888 1.00 0.00 C ATOM 1032 O SER A 64 -4.055 5.119 -7.896 1.00 0.00 O ATOM 1033 CB SER A 64 -2.952 3.817 -5.743 1.00 0.00 C ATOM 1034 OG SER A 64 -1.884 4.719 -5.987 1.00 0.00 O ATOM 0 H SER A 64 -5.247 2.695 -5.470 1.00 0.00 H new ATOM 0 HA SER A 64 -4.136 5.356 -4.841 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.736 3.231 -4.850 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.032 3.115 -6.573 1.00 0.00 H new ATOM 0 HG SER A 64 -2.091 5.267 -6.773 1.00 0.00 H new ATOM 1040 N LYS A 65 -5.978 5.696 -6.857 1.00 0.00 N ATOM 1041 CA LYS A 65 -6.658 6.219 -8.037 1.00 0.00 C ATOM 1042 C LYS A 65 -5.842 7.287 -8.768 1.00 0.00 C ATOM 1043 O LYS A 65 -5.754 8.437 -8.341 1.00 0.00 O ATOM 1044 CB LYS A 65 -8.028 6.777 -7.635 1.00 0.00 C ATOM 1045 CG LYS A 65 -7.969 7.783 -6.492 1.00 0.00 C ATOM 1046 CD LYS A 65 -9.355 8.192 -6.023 1.00 0.00 C ATOM 1047 CE LYS A 65 -9.270 9.254 -4.939 1.00 0.00 C ATOM 1048 NZ LYS A 65 -10.606 9.614 -4.397 1.00 0.00 N ATOM 0 H LYS A 65 -6.524 5.786 -6.000 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.782 5.391 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.485 7.253 -8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.677 5.950 -7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.416 7.352 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.420 8.667 -6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.931 8.573 -6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.886 7.320 -5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.637 8.893 -4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.792 10.146 -5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.498 10.341 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.204 9.984 -5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.053 8.770 -3.986 1.00 0.00 H new ATOM 1062 N LYS A 66 -5.245 6.882 -9.875 1.00 0.00 N ATOM 1063 CA LYS A 66 -4.527 7.806 -10.752 1.00 0.00 C ATOM 1064 C LYS A 66 -5.477 8.455 -11.754 1.00 0.00 C ATOM 1065 O LYS A 66 -5.085 9.328 -12.529 1.00 0.00 O ATOM 1066 CB LYS A 66 -3.419 7.076 -11.514 1.00 0.00 C ATOM 1067 CG LYS A 66 -2.267 6.610 -10.642 1.00 0.00 C ATOM 1068 CD LYS A 66 -1.186 5.952 -11.485 1.00 0.00 C ATOM 1069 CE LYS A 66 0.041 5.603 -10.655 1.00 0.00 C ATOM 1070 NZ LYS A 66 1.129 5.002 -11.477 1.00 0.00 N ATOM 0 H LYS A 66 -5.240 5.913 -10.194 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.086 8.580 -10.124 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.850 6.212 -12.020 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.030 7.737 -12.288 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.847 7.458 -10.101 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.632 5.905 -9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.584 5.047 -11.945 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.899 6.622 -12.296 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.414 6.503 -10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.243 4.906 -9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.943 4.781 -10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.784 4.129 -11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.420 5.676 -12.213 1.00 0.00 H new ATOM 1084 N VAL A 67 -6.730 8.029 -11.732 1.00 0.00 N ATOM 1085 CA VAL A 67 -7.704 8.461 -12.726 1.00 0.00 C ATOM 1086 C VAL A 67 -8.559 9.629 -12.215 1.00 0.00 C ATOM 1087 O VAL A 67 -9.288 10.267 -12.975 1.00 0.00 O ATOM 1088 CB VAL A 67 -8.616 7.279 -13.141 1.00 0.00 C ATOM 1089 CG1 VAL A 67 -9.501 6.843 -11.985 1.00 0.00 C ATOM 1090 CG2 VAL A 67 -9.453 7.625 -14.366 1.00 0.00 C ATOM 0 H VAL A 67 -7.099 7.382 -11.035 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.148 8.809 -13.597 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.970 6.443 -13.408 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.131 6.012 -12.302 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.878 6.527 -11.149 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.130 7.677 -11.674 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.081 6.774 -14.630 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.083 8.486 -14.145 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.794 7.863 -15.201 1.00 0.00 H new ATOM 1100 N LYS A 68 -8.455 9.925 -10.930 1.00 0.00 N ATOM 1101 CA LYS A 68 -9.289 10.960 -10.336 1.00 0.00 C ATOM 1102 C LYS A 68 -8.479 11.911 -9.463 1.00 0.00 C ATOM 1103 O LYS A 68 -8.012 11.550 -8.385 1.00 0.00 O ATOM 1104 CB LYS A 68 -10.443 10.326 -9.545 1.00 0.00 C ATOM 1105 CG LYS A 68 -11.245 11.303 -8.687 1.00 0.00 C ATOM 1106 CD LYS A 68 -11.741 12.520 -9.466 1.00 0.00 C ATOM 1107 CE LYS A 68 -12.694 12.151 -10.594 1.00 0.00 C ATOM 1108 NZ LYS A 68 -13.272 13.364 -11.239 1.00 0.00 N ATOM 0 H LYS A 68 -7.810 9.470 -10.284 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.710 11.556 -11.146 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.121 9.839 -10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.038 9.546 -8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.100 10.782 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.626 11.639 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.243 13.204 -8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.886 13.054 -9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.164 11.558 -11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.498 11.527 -10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.600 13.125 -12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.074 13.709 -10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.545 14.106 -11.297 1.00 0.00 H new ATOM 1122 N ASN A 69 -8.296 13.121 -9.972 1.00 0.00 N ATOM 1123 CA ASN A 69 -7.739 14.212 -9.189 1.00 0.00 C ATOM 1124 C ASN A 69 -8.625 15.438 -9.354 1.00 0.00 C ATOM 1125 O ASN A 69 -9.067 16.046 -8.380 1.00 0.00 O ATOM 1126 CB ASN A 69 -6.308 14.537 -9.625 1.00 0.00 C ATOM 1127 CG ASN A 69 -5.690 15.656 -8.802 1.00 0.00 C ATOM 1128 OD1 ASN A 69 -5.966 15.801 -7.610 1.00 0.00 O ATOM 1129 ND2 ASN A 69 -4.859 16.468 -9.438 1.00 0.00 N ATOM 0 H ASN A 69 -8.528 13.372 -10.933 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.705 13.911 -8.142 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.692 13.642 -9.536 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.308 14.821 -10.677 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.424 17.245 -8.940 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.654 16.317 -10.426 1.00 0.00 H new ATOM 1136 N MET A 70 -8.891 15.777 -10.610 1.00 0.00 N ATOM 1137 CA MET A 70 -9.767 16.886 -10.946 1.00 0.00 C ATOM 1138 C MET A 70 -11.221 16.425 -10.900 1.00 0.00 C ATOM 1139 O MET A 70 -11.989 16.962 -10.080 1.00 0.00 O ATOM 1140 CB MET A 70 -9.416 17.442 -12.334 1.00 0.00 C ATOM 1141 CG MET A 70 -10.350 18.546 -12.816 1.00 0.00 C ATOM 1142 SD MET A 70 -10.439 19.941 -11.680 1.00 0.00 S ATOM 1143 CE MET A 70 -8.725 20.462 -11.625 1.00 0.00 C ATOM 1144 OXT MET A 70 -11.577 15.495 -11.653 1.00 0.00 O ATOM 0 H MET A 70 -8.506 15.291 -11.420 1.00 0.00 H new ATOM 0 HA MET A 70 -9.629 17.685 -10.217 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.396 17.827 -12.312 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.433 16.625 -13.056 1.00 0.00 H new ATOM 0 HG2 MET A 70 -10.013 18.899 -13.790 1.00 0.00 H new ATOM 0 HG3 MET A 70 -11.349 18.134 -12.955 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.661 21.458 -11.186 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.151 19.761 -11.019 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.319 20.484 -12.636 1.00 0.00 H new TER 1154 MET A 70