USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 657 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 4 LYS NZ :NH3+ -121:sc= 0.142 (180deg=-0.125) USER MOD Set 1.2: A 69 TYR OH : rot 30:sc=-0.00132 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.268) USER MOD Single : A 14 SER OG : rot 64:sc= 1.11 USER MOD Single : A 20 CYS SG : rot 180:sc= -0.561 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc=-0.00311 (180deg=-0.352) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.639 K(o=-0.64,f=-2.1) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00427 USER MOD Single : A 39 THR OG1 : rot 77:sc= 0.665 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -4.89 K(o=-4.9,f=-10!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.241 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0469 X(o=-0.047,f=-0.047) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.192 X(o=0.19,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -1.97 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.194 23.538 6.629 1.00 0.00 N ATOM 2 CA MET A 1 -12.244 22.496 6.818 1.00 0.00 C ATOM 3 C MET A 1 -11.607 21.105 6.867 1.00 0.00 C ATOM 4 O MET A 1 -11.546 20.405 5.875 1.00 0.00 O ATOM 5 CB MET A 1 -13.154 22.625 5.595 1.00 0.00 C ATOM 6 CG MET A 1 -14.571 22.188 5.966 1.00 0.00 C ATOM 7 SD MET A 1 -14.700 20.388 5.836 1.00 0.00 S ATOM 8 CE MET A 1 -16.476 20.309 5.498 1.00 0.00 C ATOM 0 H1 MET A 1 -11.639 24.477 6.597 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.521 23.500 7.421 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.689 23.364 5.737 1.00 0.00 H new ATOM 0 HA MET A 1 -12.792 22.627 7.751 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.161 23.656 5.241 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.774 22.010 4.779 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.808 22.508 6.981 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.295 22.664 5.305 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.778 19.268 5.380 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.025 20.754 6.328 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.697 20.857 4.582 1.00 0.00 H new ATOM 20 N LYS A 2 -11.130 20.699 8.021 1.00 0.00 N ATOM 21 CA LYS A 2 -10.489 19.349 8.158 1.00 0.00 C ATOM 22 C LYS A 2 -9.386 19.160 7.108 1.00 0.00 C ATOM 23 O LYS A 2 -9.521 18.379 6.184 1.00 0.00 O ATOM 24 CB LYS A 2 -11.619 18.337 7.943 1.00 0.00 C ATOM 25 CG LYS A 2 -12.286 18.024 9.283 1.00 0.00 C ATOM 26 CD LYS A 2 -13.099 19.236 9.745 1.00 0.00 C ATOM 27 CE LYS A 2 -14.137 18.797 10.777 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.387 19.514 10.399 1.00 0.00 N ATOM 0 H LYS A 2 -11.157 21.248 8.880 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.015 19.226 9.132 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.353 18.739 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.224 17.423 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.935 17.154 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.530 17.774 10.028 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.437 19.987 10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.594 19.701 8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.281 17.717 10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.823 19.058 11.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.146 19.262 11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.223 20.540 10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.666 19.241 9.435 1.00 0.00 H new ATOM 42 N LYS A 3 -8.296 19.873 7.248 1.00 0.00 N ATOM 43 CA LYS A 3 -7.176 19.748 6.272 1.00 0.00 C ATOM 44 C LYS A 3 -5.948 20.508 6.785 1.00 0.00 C ATOM 45 O LYS A 3 -5.817 20.760 7.967 1.00 0.00 O ATOM 46 CB LYS A 3 -7.695 20.376 4.976 1.00 0.00 C ATOM 47 CG LYS A 3 -7.209 19.555 3.779 1.00 0.00 C ATOM 48 CD LYS A 3 -7.321 20.394 2.504 1.00 0.00 C ATOM 49 CE LYS A 3 -6.133 21.355 2.419 1.00 0.00 C ATOM 50 NZ LYS A 3 -6.184 21.907 1.036 1.00 0.00 N ATOM 0 H LYS A 3 -8.135 20.540 8.003 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.873 18.712 6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.784 20.411 4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.343 21.404 4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.175 19.245 3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.803 18.647 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.340 19.744 1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.256 20.954 2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.212 22.147 3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.192 20.837 2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.399 22.576 0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.100 21.131 0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.088 22.400 0.892 1.00 0.00 H new ATOM 64 N LYS A 4 -5.054 20.875 5.902 1.00 0.00 N ATOM 65 CA LYS A 4 -3.839 21.618 6.321 1.00 0.00 C ATOM 66 C LYS A 4 -3.300 22.428 5.142 1.00 0.00 C ATOM 67 O LYS A 4 -3.983 22.638 4.158 1.00 0.00 O ATOM 68 CB LYS A 4 -2.834 20.541 6.746 1.00 0.00 C ATOM 69 CG LYS A 4 -2.723 20.507 8.273 1.00 0.00 C ATOM 70 CD LYS A 4 -2.094 19.184 8.710 1.00 0.00 C ATOM 71 CE LYS A 4 -0.614 19.169 8.322 1.00 0.00 C ATOM 72 NZ LYS A 4 -0.260 17.726 8.209 1.00 0.00 N ATOM 0 H LYS A 4 -5.119 20.688 4.902 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.037 22.320 7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.152 19.567 6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.858 20.747 6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.117 21.343 8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.710 20.619 8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.200 19.057 9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.613 18.349 8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.448 19.691 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.003 19.667 9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.509 17.504 8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.092 17.146 8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.051 17.520 7.238 1.00 0.00 H new ATOM 86 N ASP A 5 -2.080 22.880 5.238 1.00 0.00 N ATOM 87 CA ASP A 5 -1.483 23.680 4.127 1.00 0.00 C ATOM 88 C ASP A 5 -1.276 22.796 2.885 1.00 0.00 C ATOM 89 O ASP A 5 -0.977 21.625 3.014 1.00 0.00 O ATOM 90 CB ASP A 5 -0.136 24.160 4.667 1.00 0.00 C ATOM 91 CG ASP A 5 -0.263 25.601 5.165 1.00 0.00 C ATOM 92 OD1 ASP A 5 -1.164 25.859 5.947 1.00 0.00 O ATOM 93 OD2 ASP A 5 0.540 26.423 4.757 1.00 0.00 O ATOM 0 H ASP A 5 -1.468 22.730 6.040 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.124 24.508 3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.193 23.512 5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.622 24.101 3.886 1.00 0.00 H new ATOM 98 N PRO A 6 -1.440 23.377 1.715 1.00 0.00 N ATOM 99 CA PRO A 6 -1.258 22.602 0.461 1.00 0.00 C ATOM 100 C PRO A 6 0.229 22.334 0.194 1.00 0.00 C ATOM 101 O PRO A 6 0.579 21.450 -0.566 1.00 0.00 O ATOM 102 CB PRO A 6 -1.838 23.514 -0.616 1.00 0.00 C ATOM 103 CG PRO A 6 -1.727 24.897 -0.057 1.00 0.00 C ATOM 104 CD PRO A 6 -1.802 24.779 1.443 1.00 0.00 C ATOM 0 HA PRO A 6 -1.740 21.625 0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.285 23.421 -1.551 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.875 23.258 -0.832 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.788 25.360 -0.360 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.531 25.530 -0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.114 25.470 1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.802 25.011 1.811 1.00 0.00 H new ATOM 112 N ASN A 7 1.106 23.091 0.810 1.00 0.00 N ATOM 113 CA ASN A 7 2.568 22.885 0.588 1.00 0.00 C ATOM 114 C ASN A 7 3.097 21.772 1.499 1.00 0.00 C ATOM 115 O ASN A 7 4.073 21.118 1.185 1.00 0.00 O ATOM 116 CB ASN A 7 3.215 24.223 0.947 1.00 0.00 C ATOM 117 CG ASN A 7 3.162 25.156 -0.264 1.00 0.00 C ATOM 118 OD1 ASN A 7 2.328 26.038 -0.329 1.00 0.00 O ATOM 119 ND2 ASN A 7 4.022 25.000 -1.232 1.00 0.00 N ATOM 0 H ASN A 7 0.869 23.843 1.457 1.00 0.00 H new ATOM 0 HA ASN A 7 2.789 22.585 -0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.695 24.676 1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.249 24.068 1.255 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.995 25.618 -2.043 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.722 24.260 -1.178 1.00 0.00 H new ATOM 126 N ALA A 8 2.463 21.557 2.625 1.00 0.00 N ATOM 127 CA ALA A 8 2.929 20.490 3.560 1.00 0.00 C ATOM 128 C ALA A 8 2.199 19.169 3.270 1.00 0.00 C ATOM 129 O ALA A 8 1.105 19.179 2.740 1.00 0.00 O ATOM 130 CB ALA A 8 2.574 21.004 4.955 1.00 0.00 C ATOM 0 H ALA A 8 1.642 22.076 2.936 1.00 0.00 H new ATOM 0 HA ALA A 8 3.996 20.290 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.885 20.274 5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.086 21.949 5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.497 21.156 5.023 1.00 0.00 H new ATOM 136 N PRO A 9 2.823 18.065 3.625 1.00 0.00 N ATOM 137 CA PRO A 9 2.199 16.740 3.385 1.00 0.00 C ATOM 138 C PRO A 9 1.051 16.500 4.372 1.00 0.00 C ATOM 139 O PRO A 9 1.183 16.737 5.559 1.00 0.00 O ATOM 140 CB PRO A 9 3.336 15.754 3.632 1.00 0.00 C ATOM 141 CG PRO A 9 4.277 16.466 4.550 1.00 0.00 C ATOM 142 CD PRO A 9 4.143 17.940 4.267 1.00 0.00 C ATOM 0 HA PRO A 9 1.769 16.648 2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.968 14.832 4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.828 15.478 2.699 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.036 16.250 5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.302 16.134 4.384 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.198 18.528 5.183 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.940 18.294 3.613 1.00 0.00 H new ATOM 150 N LYS A 10 -0.072 16.036 3.885 1.00 0.00 N ATOM 151 CA LYS A 10 -1.232 15.778 4.779 1.00 0.00 C ATOM 152 C LYS A 10 -2.002 14.542 4.312 1.00 0.00 C ATOM 153 O LYS A 10 -3.205 14.448 4.471 1.00 0.00 O ATOM 154 CB LYS A 10 -2.098 17.036 4.678 1.00 0.00 C ATOM 155 CG LYS A 10 -2.558 17.247 3.228 1.00 0.00 C ATOM 156 CD LYS A 10 -2.452 18.730 2.862 1.00 0.00 C ATOM 157 CE LYS A 10 -3.104 18.966 1.497 1.00 0.00 C ATOM 158 NZ LYS A 10 -2.144 18.400 0.509 1.00 0.00 N ATOM 0 H LYS A 10 -0.232 15.825 2.900 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.926 15.580 5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.965 16.943 5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.533 17.904 5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.945 16.651 2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.587 16.906 3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.942 19.339 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.406 19.035 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.074 18.473 1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.274 20.028 1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.846 19.146 -0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.311 18.027 1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.603 17.631 -0.020 1.00 0.00 H new ATOM 172 N ARG A 11 -1.309 13.604 3.734 1.00 0.00 N ATOM 173 CA ARG A 11 -1.978 12.363 3.242 1.00 0.00 C ATOM 174 C ARG A 11 -1.028 11.161 3.372 1.00 0.00 C ATOM 175 O ARG A 11 -0.571 10.628 2.378 1.00 0.00 O ATOM 176 CB ARG A 11 -2.296 12.653 1.775 1.00 0.00 C ATOM 177 CG ARG A 11 -3.501 13.591 1.693 1.00 0.00 C ATOM 178 CD ARG A 11 -3.870 13.824 0.227 1.00 0.00 C ATOM 179 NE ARG A 11 -5.216 14.457 0.266 1.00 0.00 N ATOM 180 CZ ARG A 11 -6.166 14.023 -0.517 1.00 0.00 C ATOM 181 NH1 ARG A 11 -6.231 14.434 -1.753 1.00 0.00 N ATOM 182 NH2 ARG A 11 -7.049 13.176 -0.063 1.00 0.00 N ATOM 0 H ARG A 11 -0.302 13.641 3.579 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.873 12.114 3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.434 13.107 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.508 11.723 1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.347 13.160 2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.269 14.540 2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.144 14.471 -0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.890 12.887 -0.329 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.397 15.231 0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.539 15.095 -2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.973 14.095 -2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.997 12.853 0.903 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.792 12.837 -0.674 1.00 0.00 H new ATOM 196 N PRO A 12 -0.750 10.765 4.596 1.00 0.00 N ATOM 197 CA PRO A 12 0.157 9.616 4.823 1.00 0.00 C ATOM 198 C PRO A 12 -0.579 8.289 4.559 1.00 0.00 C ATOM 199 O PRO A 12 -1.599 8.031 5.166 1.00 0.00 O ATOM 200 CB PRO A 12 0.533 9.736 6.294 1.00 0.00 C ATOM 201 CG PRO A 12 -0.591 10.490 6.931 1.00 0.00 C ATOM 202 CD PRO A 12 -1.242 11.333 5.863 1.00 0.00 C ATOM 0 HA PRO A 12 1.025 9.623 4.163 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.655 8.753 6.750 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.479 10.264 6.416 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.314 9.801 7.368 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.220 11.118 7.741 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.329 11.283 5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.965 12.383 5.962 1.00 0.00 H new ATOM 210 N PRO A 13 -0.045 7.480 3.666 1.00 0.00 N ATOM 211 CA PRO A 13 -0.686 6.183 3.356 1.00 0.00 C ATOM 212 C PRO A 13 -0.297 5.146 4.412 1.00 0.00 C ATOM 213 O PRO A 13 0.486 5.425 5.300 1.00 0.00 O ATOM 214 CB PRO A 13 -0.114 5.817 1.990 1.00 0.00 C ATOM 215 CG PRO A 13 1.199 6.534 1.896 1.00 0.00 C ATOM 216 CD PRO A 13 1.177 7.685 2.873 1.00 0.00 C ATOM 0 HA PRO A 13 -1.775 6.225 3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.021 4.739 1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.786 6.124 1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.020 5.855 2.126 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.361 6.899 0.882 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.064 7.684 3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.156 8.644 2.355 1.00 0.00 H new ATOM 224 N SER A 14 -0.838 3.954 4.328 1.00 0.00 N ATOM 225 CA SER A 14 -0.495 2.908 5.338 1.00 0.00 C ATOM 226 C SER A 14 -0.982 1.525 4.886 1.00 0.00 C ATOM 227 O SER A 14 -1.730 0.866 5.583 1.00 0.00 O ATOM 228 CB SER A 14 -1.216 3.341 6.615 1.00 0.00 C ATOM 229 OG SER A 14 -2.605 3.068 6.485 1.00 0.00 O ATOM 0 H SER A 14 -1.498 3.663 3.607 1.00 0.00 H new ATOM 0 HA SER A 14 0.582 2.821 5.481 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.808 2.810 7.475 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.058 4.405 6.793 1.00 0.00 H new ATOM 0 HG SER A 14 -2.742 2.101 6.406 1.00 0.00 H new ATOM 235 N ALA A 15 -0.566 1.077 3.723 1.00 0.00 N ATOM 236 CA ALA A 15 -0.993 -0.267 3.197 1.00 0.00 C ATOM 237 C ALA A 15 -2.480 -0.262 2.836 1.00 0.00 C ATOM 238 O ALA A 15 -2.827 -0.151 1.674 1.00 0.00 O ATOM 239 CB ALA A 15 -0.687 -1.308 4.291 1.00 0.00 C ATOM 0 H ALA A 15 0.061 1.592 3.105 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.450 -0.512 2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.984 -2.298 3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.381 -1.305 4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.241 -1.059 5.196 1.00 0.00 H new ATOM 245 N PHE A 16 -3.366 -0.396 3.801 1.00 0.00 N ATOM 246 CA PHE A 16 -4.841 -0.412 3.492 1.00 0.00 C ATOM 247 C PHE A 16 -5.228 0.734 2.549 1.00 0.00 C ATOM 248 O PHE A 16 -5.868 0.525 1.536 1.00 0.00 O ATOM 249 CB PHE A 16 -5.529 -0.233 4.846 1.00 0.00 C ATOM 250 CG PHE A 16 -6.914 -0.833 4.794 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.952 -0.142 4.157 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.160 -2.079 5.382 1.00 0.00 C ATOM 253 CE1 PHE A 16 -9.236 -0.698 4.109 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.444 -2.634 5.334 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.482 -1.944 4.697 1.00 0.00 C ATOM 0 H PHE A 16 -3.133 -0.495 4.789 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.133 -1.335 2.990 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.943 -0.713 5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.590 0.826 5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.762 0.819 3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.359 -2.612 5.873 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.037 -0.165 3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.634 -3.595 5.789 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.472 -2.373 4.659 1.00 0.00 H new ATOM 265 N PHE A 17 -4.839 1.940 2.876 1.00 0.00 N ATOM 266 CA PHE A 17 -5.176 3.107 1.999 1.00 0.00 C ATOM 267 C PHE A 17 -4.687 2.855 0.568 1.00 0.00 C ATOM 268 O PHE A 17 -5.240 3.371 -0.385 1.00 0.00 O ATOM 269 CB PHE A 17 -4.438 4.299 2.614 1.00 0.00 C ATOM 270 CG PHE A 17 -5.204 5.568 2.324 1.00 0.00 C ATOM 271 CD1 PHE A 17 -5.192 6.112 1.034 1.00 0.00 C ATOM 272 CD2 PHE A 17 -5.925 6.199 3.344 1.00 0.00 C ATOM 273 CE1 PHE A 17 -5.902 7.287 0.764 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.634 7.375 3.074 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.623 7.920 1.784 1.00 0.00 C ATOM 0 H PHE A 17 -4.302 2.169 3.712 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.251 3.280 1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.335 4.161 3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.430 4.368 2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.635 5.625 0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.934 5.779 4.339 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.894 7.706 -0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.190 7.863 3.861 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.170 8.828 1.576 1.00 0.00 H new ATOM 285 N LEU A 18 -3.651 2.067 0.415 1.00 0.00 N ATOM 286 CA LEU A 18 -3.116 1.776 -0.953 1.00 0.00 C ATOM 287 C LEU A 18 -3.885 0.613 -1.591 1.00 0.00 C ATOM 288 O LEU A 18 -3.934 0.484 -2.799 1.00 0.00 O ATOM 289 CB LEU A 18 -1.639 1.374 -0.761 1.00 0.00 C ATOM 290 CG LEU A 18 -0.901 2.353 0.170 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.578 1.968 0.234 1.00 0.00 C ATOM 292 CD2 LEU A 18 -1.024 3.784 -0.366 1.00 0.00 C ATOM 0 H LEU A 18 -3.152 1.612 1.179 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.220 2.642 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.586 0.367 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.140 1.346 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.345 2.303 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.106 2.658 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.673 0.953 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.010 2.018 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.499 4.468 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.585 3.838 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.076 4.064 -0.417 1.00 0.00 H new ATOM 304 N PHE A 19 -4.473 -0.240 -0.787 1.00 0.00 N ATOM 305 CA PHE A 19 -5.227 -1.408 -1.343 1.00 0.00 C ATOM 306 C PHE A 19 -6.633 -0.987 -1.783 1.00 0.00 C ATOM 307 O PHE A 19 -7.010 -1.162 -2.927 1.00 0.00 O ATOM 308 CB PHE A 19 -5.302 -2.410 -0.186 1.00 0.00 C ATOM 309 CG PHE A 19 -5.989 -3.674 -0.644 1.00 0.00 C ATOM 310 CD1 PHE A 19 -5.265 -4.657 -1.329 1.00 0.00 C ATOM 311 CD2 PHE A 19 -7.351 -3.864 -0.382 1.00 0.00 C ATOM 312 CE1 PHE A 19 -5.903 -5.830 -1.749 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.989 -5.037 -0.802 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.265 -6.020 -1.486 1.00 0.00 C ATOM 0 H PHE A 19 -4.463 -0.178 0.231 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.741 -1.829 -2.223 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.299 -2.641 0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.847 -1.972 0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.215 -4.510 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.910 -3.105 0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.344 -6.589 -2.276 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.039 -5.183 -0.598 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.757 -6.925 -1.811 1.00 0.00 H new ATOM 324 N CYS A 20 -7.410 -0.440 -0.883 1.00 0.00 N ATOM 325 CA CYS A 20 -8.798 -0.011 -1.243 1.00 0.00 C ATOM 326 C CYS A 20 -8.760 1.042 -2.354 1.00 0.00 C ATOM 327 O CYS A 20 -9.467 0.943 -3.340 1.00 0.00 O ATOM 328 CB CYS A 20 -9.382 0.587 0.040 1.00 0.00 C ATOM 329 SG CYS A 20 -11.170 0.315 0.074 1.00 0.00 S ATOM 0 H CYS A 20 -7.144 -0.271 0.087 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.398 -0.842 -1.614 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.917 0.128 0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.165 1.654 0.088 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.665 0.821 1.164 1.00 0.00 H new ATOM 335 N SER A 21 -7.941 2.048 -2.196 1.00 0.00 N ATOM 336 CA SER A 21 -7.849 3.123 -3.236 1.00 0.00 C ATOM 337 C SER A 21 -7.478 2.531 -4.604 1.00 0.00 C ATOM 338 O SER A 21 -7.717 3.139 -5.631 1.00 0.00 O ATOM 339 CB SER A 21 -6.744 4.060 -2.748 1.00 0.00 C ATOM 340 OG SER A 21 -6.658 5.179 -3.620 1.00 0.00 O ATOM 0 H SER A 21 -7.329 2.175 -1.390 1.00 0.00 H new ATOM 0 HA SER A 21 -8.800 3.639 -3.365 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.955 4.392 -1.732 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.790 3.533 -2.719 1.00 0.00 H new ATOM 0 HG SER A 21 -5.951 5.783 -3.309 1.00 0.00 H new ATOM 346 N GLU A 22 -6.889 1.359 -4.626 1.00 0.00 N ATOM 347 CA GLU A 22 -6.495 0.740 -5.930 1.00 0.00 C ATOM 348 C GLU A 22 -7.404 -0.446 -6.286 1.00 0.00 C ATOM 349 O GLU A 22 -7.393 -0.918 -7.409 1.00 0.00 O ATOM 350 CB GLU A 22 -5.061 0.265 -5.716 1.00 0.00 C ATOM 351 CG GLU A 22 -4.095 1.430 -5.942 1.00 0.00 C ATOM 352 CD GLU A 22 -4.142 1.860 -7.409 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.619 1.132 -8.236 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.702 2.909 -7.681 1.00 0.00 O ATOM 0 H GLU A 22 -6.665 0.806 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.585 1.448 -6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.944 -0.127 -4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.831 -0.550 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.363 2.268 -5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.082 1.133 -5.672 1.00 0.00 H new ATOM 361 N TYR A 23 -8.183 -0.937 -5.350 1.00 0.00 N ATOM 362 CA TYR A 23 -9.077 -2.098 -5.653 1.00 0.00 C ATOM 363 C TYR A 23 -10.477 -1.613 -6.043 1.00 0.00 C ATOM 364 O TYR A 23 -11.114 -2.180 -6.909 1.00 0.00 O ATOM 365 CB TYR A 23 -9.128 -2.917 -4.361 1.00 0.00 C ATOM 366 CG TYR A 23 -8.170 -4.081 -4.467 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.790 -3.851 -4.507 1.00 0.00 C ATOM 368 CD2 TYR A 23 -8.663 -5.390 -4.532 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.902 -4.928 -4.611 1.00 0.00 C ATOM 370 CE2 TYR A 23 -7.775 -6.468 -4.637 1.00 0.00 C ATOM 371 CZ TYR A 23 -6.395 -6.238 -4.677 1.00 0.00 C ATOM 372 OH TYR A 23 -5.520 -7.300 -4.781 1.00 0.00 O ATOM 0 H TYR A 23 -8.237 -0.585 -4.394 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.707 -2.688 -6.491 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.863 -2.290 -3.509 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.141 -3.280 -4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.410 -2.841 -4.458 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.728 -5.568 -4.501 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.837 -4.749 -4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.155 -7.478 -4.687 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.026 -8.139 -4.815 1.00 0.00 H new ATOM 382 N ARG A 24 -10.963 -0.574 -5.405 1.00 0.00 N ATOM 383 CA ARG A 24 -12.328 -0.046 -5.724 1.00 0.00 C ATOM 384 C ARG A 24 -12.558 0.099 -7.240 1.00 0.00 C ATOM 385 O ARG A 24 -13.538 -0.412 -7.732 1.00 0.00 O ATOM 386 CB ARG A 24 -12.416 1.316 -5.043 1.00 0.00 C ATOM 387 CG ARG A 24 -12.404 1.136 -3.523 1.00 0.00 C ATOM 388 CD ARG A 24 -12.038 2.463 -2.853 1.00 0.00 C ATOM 389 NE ARG A 24 -12.911 2.537 -1.649 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.419 3.682 -1.281 1.00 0.00 C ATOM 391 NH1 ARG A 24 -12.638 4.635 -0.854 1.00 0.00 N ATOM 392 NH2 ARG A 24 -14.709 3.873 -1.340 1.00 0.00 N ATOM 0 H ARG A 24 -10.469 -0.066 -4.672 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.094 -0.736 -5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.579 1.942 -5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.327 1.829 -5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.382 0.800 -3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.686 0.365 -3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.983 2.490 -2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.215 3.305 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.112 1.693 -1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.630 4.486 -0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.035 5.529 -0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.320 3.128 -1.674 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.106 4.768 -1.052 1.00 0.00 H new ATOM 406 N PRO A 25 -11.656 0.770 -7.945 1.00 0.00 N ATOM 407 CA PRO A 25 -11.828 0.936 -9.419 1.00 0.00 C ATOM 408 C PRO A 25 -11.863 -0.430 -10.100 1.00 0.00 C ATOM 409 O PRO A 25 -12.483 -0.601 -11.133 1.00 0.00 O ATOM 410 CB PRO A 25 -10.613 1.767 -9.834 1.00 0.00 C ATOM 411 CG PRO A 25 -9.613 1.526 -8.756 1.00 0.00 C ATOM 412 CD PRO A 25 -10.411 1.408 -7.484 1.00 0.00 C ATOM 0 HA PRO A 25 -12.761 1.423 -9.703 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.232 1.455 -10.806 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.864 2.825 -9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.042 0.617 -8.947 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.897 2.345 -8.695 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.897 0.802 -6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.598 2.381 -7.031 1.00 0.00 H new ATOM 420 N LYS A 26 -11.242 -1.415 -9.502 1.00 0.00 N ATOM 421 CA LYS A 26 -11.284 -2.787 -10.084 1.00 0.00 C ATOM 422 C LYS A 26 -12.705 -3.318 -9.927 1.00 0.00 C ATOM 423 O LYS A 26 -13.302 -3.840 -10.848 1.00 0.00 O ATOM 424 CB LYS A 26 -10.323 -3.614 -9.238 1.00 0.00 C ATOM 425 CG LYS A 26 -9.926 -4.880 -9.999 1.00 0.00 C ATOM 426 CD LYS A 26 -11.028 -5.931 -9.853 1.00 0.00 C ATOM 427 CE LYS A 26 -10.490 -7.299 -10.283 1.00 0.00 C ATOM 428 NZ LYS A 26 -11.474 -8.282 -9.749 1.00 0.00 N ATOM 0 H LYS A 26 -10.709 -1.327 -8.637 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.009 -2.817 -11.138 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.436 -3.028 -9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.793 -3.879 -8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.767 -4.649 -11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.984 -5.269 -9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.371 -5.972 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.888 -5.658 -10.464 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.410 -7.369 -11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.494 -7.477 -9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.175 -9.245 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.524 -8.196 -8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.411 -8.092 -10.157 1.00 0.00 H new ATOM 442 N ILE A 27 -13.245 -3.170 -8.744 1.00 0.00 N ATOM 443 CA ILE A 27 -14.637 -3.640 -8.466 1.00 0.00 C ATOM 444 C ILE A 27 -15.635 -2.967 -9.419 1.00 0.00 C ATOM 445 O ILE A 27 -16.747 -3.425 -9.567 1.00 0.00 O ATOM 446 CB ILE A 27 -14.932 -3.183 -7.022 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.962 -3.852 -6.034 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.376 -3.533 -6.636 1.00 0.00 C ATOM 449 CD1 ILE A 27 -14.128 -5.372 -6.075 1.00 0.00 C ATOM 0 H ILE A 27 -12.775 -2.738 -7.949 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.729 -4.718 -8.599 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.798 -2.102 -6.975 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.935 -3.584 -6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.150 -3.486 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.569 -3.205 -5.615 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.066 -3.032 -7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.519 -4.611 -6.704 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.435 -5.833 -5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.150 -5.634 -5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.917 -5.734 -7.081 1.00 0.00 H new ATOM 461 N LYS A 28 -15.265 -1.873 -10.035 1.00 0.00 N ATOM 462 CA LYS A 28 -16.232 -1.168 -10.932 1.00 0.00 C ATOM 463 C LYS A 28 -16.198 -1.780 -12.335 1.00 0.00 C ATOM 464 O LYS A 28 -17.182 -1.756 -13.051 1.00 0.00 O ATOM 465 CB LYS A 28 -15.802 0.318 -10.971 1.00 0.00 C ATOM 466 CG LYS A 28 -15.261 0.823 -9.614 1.00 0.00 C ATOM 467 CD LYS A 28 -16.113 0.358 -8.416 1.00 0.00 C ATOM 468 CE LYS A 28 -17.578 0.755 -8.627 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.603 2.234 -8.458 1.00 0.00 N ATOM 0 H LYS A 28 -14.345 -1.440 -9.958 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.253 -1.264 -10.563 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.035 0.449 -11.734 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.654 0.930 -11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.238 0.471 -9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.225 1.912 -9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.034 -0.723 -8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.736 0.805 -7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.927 0.465 -9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.228 0.264 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.583 2.551 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.031 2.499 -7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.212 2.687 -9.308 1.00 0.00 H new ATOM 483 N SER A 29 -15.078 -2.326 -12.731 1.00 0.00 N ATOM 484 CA SER A 29 -14.980 -2.941 -14.092 1.00 0.00 C ATOM 485 C SER A 29 -15.839 -4.211 -14.181 1.00 0.00 C ATOM 486 O SER A 29 -16.160 -4.667 -15.262 1.00 0.00 O ATOM 487 CB SER A 29 -13.500 -3.286 -14.270 1.00 0.00 C ATOM 488 OG SER A 29 -13.241 -3.547 -15.643 1.00 0.00 O ATOM 0 H SER A 29 -14.226 -2.374 -12.172 1.00 0.00 H new ATOM 0 HA SER A 29 -15.341 -2.265 -14.867 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.878 -2.462 -13.921 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.243 -4.157 -13.667 1.00 0.00 H new ATOM 0 HG SER A 29 -12.293 -3.767 -15.761 1.00 0.00 H new ATOM 494 N GLU A 30 -16.205 -4.789 -13.061 1.00 0.00 N ATOM 495 CA GLU A 30 -17.035 -6.034 -13.096 1.00 0.00 C ATOM 496 C GLU A 30 -18.292 -5.901 -12.222 1.00 0.00 C ATOM 497 O GLU A 30 -19.107 -6.804 -12.172 1.00 0.00 O ATOM 498 CB GLU A 30 -16.118 -7.129 -12.549 1.00 0.00 C ATOM 499 CG GLU A 30 -15.427 -7.845 -13.712 1.00 0.00 C ATOM 500 CD GLU A 30 -16.389 -8.861 -14.329 1.00 0.00 C ATOM 501 OE1 GLU A 30 -17.221 -8.454 -15.123 1.00 0.00 O ATOM 502 OE2 GLU A 30 -16.277 -10.030 -13.999 1.00 0.00 O ATOM 0 H GLU A 30 -15.966 -4.453 -12.128 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.392 -6.249 -14.103 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.374 -6.695 -11.882 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.696 -7.842 -11.961 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.114 -7.121 -14.464 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.526 -8.348 -13.360 1.00 0.00 H new ATOM 509 N HIS A 31 -18.472 -4.787 -11.553 1.00 0.00 N ATOM 510 CA HIS A 31 -19.696 -4.613 -10.708 1.00 0.00 C ATOM 511 C HIS A 31 -20.201 -3.169 -10.848 1.00 0.00 C ATOM 512 O HIS A 31 -19.747 -2.290 -10.143 1.00 0.00 O ATOM 513 CB HIS A 31 -19.288 -4.902 -9.254 1.00 0.00 C ATOM 514 CG HIS A 31 -18.513 -6.194 -9.167 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.148 -6.220 -8.928 1.00 0.00 N ATOM 516 CD2 HIS A 31 -18.897 -7.506 -9.286 1.00 0.00 C ATOM 517 CE1 HIS A 31 -16.764 -7.509 -8.911 1.00 0.00 C ATOM 518 NE2 HIS A 31 -17.792 -8.336 -9.125 1.00 0.00 N ATOM 0 H HIS A 31 -17.829 -3.995 -11.555 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.495 -5.287 -11.016 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.682 -4.081 -8.871 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.177 -4.962 -8.626 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -19.905 -7.844 -9.476 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.748 -7.836 -8.745 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -17.771 -9.355 -9.162 1.00 0.00 H new ATOM 526 N PRO A 32 -21.122 -2.962 -11.765 1.00 0.00 N ATOM 527 CA PRO A 32 -21.666 -1.603 -11.987 1.00 0.00 C ATOM 528 C PRO A 32 -22.622 -1.222 -10.859 1.00 0.00 C ATOM 529 O PRO A 32 -22.657 -0.087 -10.421 1.00 0.00 O ATOM 530 CB PRO A 32 -22.402 -1.720 -13.317 1.00 0.00 C ATOM 531 CG PRO A 32 -22.744 -3.170 -13.461 1.00 0.00 C ATOM 532 CD PRO A 32 -21.739 -3.955 -12.661 1.00 0.00 C ATOM 0 HA PRO A 32 -20.897 -0.830 -12.004 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.300 -1.103 -13.324 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.776 -1.381 -14.143 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -23.755 -3.363 -13.101 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.716 -3.468 -14.509 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.219 -4.755 -12.097 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.996 -4.422 -13.307 1.00 0.00 H new ATOM 540 N GLY A 33 -23.384 -2.167 -10.382 1.00 0.00 N ATOM 541 CA GLY A 33 -24.336 -1.878 -9.275 1.00 0.00 C ATOM 542 C GLY A 33 -23.554 -1.640 -7.977 1.00 0.00 C ATOM 543 O GLY A 33 -24.013 -0.955 -7.089 1.00 0.00 O ATOM 0 H GLY A 33 -23.388 -3.132 -10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.936 -1.001 -9.517 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.027 -2.712 -9.148 1.00 0.00 H new ATOM 547 N LEU A 34 -22.378 -2.216 -7.865 1.00 0.00 N ATOM 548 CA LEU A 34 -21.540 -2.051 -6.624 1.00 0.00 C ATOM 549 C LEU A 34 -21.437 -0.576 -6.199 1.00 0.00 C ATOM 550 O LEU A 34 -20.547 0.138 -6.623 1.00 0.00 O ATOM 551 CB LEU A 34 -20.149 -2.589 -7.014 1.00 0.00 C ATOM 552 CG LEU A 34 -19.740 -3.752 -6.096 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.603 -3.248 -4.659 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.795 -4.865 -6.153 1.00 0.00 C ATOM 0 H LEU A 34 -21.956 -2.800 -8.587 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.977 -2.580 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.161 -2.924 -8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.412 -1.789 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.784 -4.152 -6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.313 -4.074 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.841 -2.469 -4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.557 -2.841 -4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.496 -5.684 -5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.757 -4.472 -5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.883 -5.231 -7.176 1.00 0.00 H new ATOM 566 N SER A 35 -22.336 -0.125 -5.361 1.00 0.00 N ATOM 567 CA SER A 35 -22.292 1.295 -4.898 1.00 0.00 C ATOM 568 C SER A 35 -21.192 1.455 -3.848 1.00 0.00 C ATOM 569 O SER A 35 -20.515 0.504 -3.509 1.00 0.00 O ATOM 570 CB SER A 35 -23.666 1.561 -4.285 1.00 0.00 C ATOM 571 OG SER A 35 -23.907 0.622 -3.245 1.00 0.00 O ATOM 0 H SER A 35 -23.100 -0.681 -4.977 1.00 0.00 H new ATOM 0 HA SER A 35 -22.074 1.993 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.711 2.576 -3.891 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.439 1.481 -5.049 1.00 0.00 H new ATOM 0 HG SER A 35 -24.787 0.791 -2.849 1.00 0.00 H new ATOM 577 N ILE A 36 -21.013 2.642 -3.322 1.00 0.00 N ATOM 578 CA ILE A 36 -19.950 2.848 -2.286 1.00 0.00 C ATOM 579 C ILE A 36 -20.243 1.951 -1.072 1.00 0.00 C ATOM 580 O ILE A 36 -19.339 1.455 -0.427 1.00 0.00 O ATOM 581 CB ILE A 36 -20.008 4.350 -1.927 1.00 0.00 C ATOM 582 CG1 ILE A 36 -19.287 5.155 -3.014 1.00 0.00 C ATOM 583 CG2 ILE A 36 -19.311 4.613 -0.582 1.00 0.00 C ATOM 584 CD1 ILE A 36 -20.206 5.342 -4.221 1.00 0.00 C ATOM 0 H ILE A 36 -21.553 3.473 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.953 2.581 -2.637 1.00 0.00 H new ATOM 0 HB ILE A 36 -21.053 4.650 -1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -18.987 6.126 -2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.376 4.639 -3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.363 5.676 -0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.808 4.043 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.267 4.306 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -19.686 5.915 -4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -20.484 4.367 -4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -21.105 5.878 -3.915 1.00 0.00 H new ATOM 596 N GLY A 37 -21.500 1.736 -0.768 1.00 0.00 N ATOM 597 CA GLY A 37 -21.854 0.865 0.392 1.00 0.00 C ATOM 598 C GLY A 37 -21.262 -0.527 0.169 1.00 0.00 C ATOM 599 O GLY A 37 -20.522 -1.033 0.989 1.00 0.00 O ATOM 0 H GLY A 37 -22.295 2.127 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.468 1.294 1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.937 0.801 0.498 1.00 0.00 H new ATOM 603 N ASP A 38 -21.567 -1.132 -0.948 1.00 0.00 N ATOM 604 CA ASP A 38 -21.012 -2.484 -1.251 1.00 0.00 C ATOM 605 C ASP A 38 -19.529 -2.373 -1.612 1.00 0.00 C ATOM 606 O ASP A 38 -18.736 -3.206 -1.240 1.00 0.00 O ATOM 607 CB ASP A 38 -21.820 -2.990 -2.447 1.00 0.00 C ATOM 608 CG ASP A 38 -23.220 -3.394 -1.983 1.00 0.00 C ATOM 609 OD1 ASP A 38 -23.324 -4.368 -1.256 1.00 0.00 O ATOM 610 OD2 ASP A 38 -24.165 -2.722 -2.362 1.00 0.00 O ATOM 0 H ASP A 38 -22.179 -0.746 -1.667 1.00 0.00 H new ATOM 0 HA ASP A 38 -21.084 -3.161 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -21.888 -2.213 -3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.317 -3.842 -2.905 1.00 0.00 H new ATOM 615 N THR A 39 -19.145 -1.333 -2.304 1.00 0.00 N ATOM 616 CA THR A 39 -17.703 -1.170 -2.668 1.00 0.00 C ATOM 617 C THR A 39 -16.858 -0.965 -1.408 1.00 0.00 C ATOM 618 O THR A 39 -15.677 -1.254 -1.394 1.00 0.00 O ATOM 619 CB THR A 39 -17.636 0.064 -3.571 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.456 -0.140 -4.712 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.188 0.289 -4.019 1.00 0.00 C ATOM 0 H THR A 39 -19.763 -0.591 -2.633 1.00 0.00 H new ATOM 0 HA THR A 39 -17.312 -2.053 -3.174 1.00 0.00 H new ATOM 0 HB THR A 39 -17.988 0.937 -3.021 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.396 -0.018 -4.465 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.139 1.168 -4.662 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.556 0.444 -3.144 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.838 -0.584 -4.570 1.00 0.00 H new ATOM 629 N ALA A 40 -17.451 -0.467 -0.353 1.00 0.00 N ATOM 630 CA ALA A 40 -16.680 -0.243 0.904 1.00 0.00 C ATOM 631 C ALA A 40 -16.620 -1.532 1.728 1.00 0.00 C ATOM 632 O ALA A 40 -15.652 -1.785 2.421 1.00 0.00 O ATOM 633 CB ALA A 40 -17.451 0.840 1.658 1.00 0.00 C ATOM 0 H ALA A 40 -18.436 -0.206 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.650 0.054 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.944 1.060 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.498 1.744 1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.462 0.489 1.865 1.00 0.00 H new ATOM 639 N LYS A 41 -17.651 -2.339 1.673 1.00 0.00 N ATOM 640 CA LYS A 41 -17.655 -3.604 2.472 1.00 0.00 C ATOM 641 C LYS A 41 -17.291 -4.825 1.610 1.00 0.00 C ATOM 642 O LYS A 41 -16.973 -5.876 2.134 1.00 0.00 O ATOM 643 CB LYS A 41 -19.077 -3.730 3.044 1.00 0.00 C ATOM 644 CG LYS A 41 -20.089 -3.963 1.921 1.00 0.00 C ATOM 645 CD LYS A 41 -21.510 -3.927 2.494 1.00 0.00 C ATOM 646 CE LYS A 41 -21.881 -2.488 2.867 1.00 0.00 C ATOM 647 NZ LYS A 41 -22.609 -2.603 4.161 1.00 0.00 N ATOM 0 H LYS A 41 -18.487 -2.178 1.112 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.905 -3.571 3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -19.117 -4.556 3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -19.336 -2.824 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.977 -3.199 1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.903 -4.925 1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.217 -4.317 1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.574 -4.569 3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.993 -1.864 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.507 -2.030 2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.897 -1.657 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -23.453 -3.197 4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.986 -3.036 4.872 1.00 0.00 H new ATOM 661 N LYS A 42 -17.316 -4.703 0.301 1.00 0.00 N ATOM 662 CA LYS A 42 -16.953 -5.867 -0.570 1.00 0.00 C ATOM 663 C LYS A 42 -15.431 -5.937 -0.770 1.00 0.00 C ATOM 664 O LYS A 42 -14.923 -6.873 -1.358 1.00 0.00 O ATOM 665 CB LYS A 42 -17.657 -5.598 -1.905 1.00 0.00 C ATOM 666 CG LYS A 42 -17.671 -6.862 -2.760 1.00 0.00 C ATOM 667 CD LYS A 42 -18.770 -7.803 -2.252 1.00 0.00 C ATOM 668 CE LYS A 42 -18.150 -8.897 -1.375 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.496 -10.182 -2.048 1.00 0.00 N ATOM 0 H LYS A 42 -17.571 -3.851 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.256 -6.817 -0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.678 -5.262 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.147 -4.796 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.849 -6.607 -3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.701 -7.358 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.508 -7.240 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.295 -8.253 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.070 -8.773 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.550 -8.863 -0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.104 -10.976 -1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -19.530 -10.277 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.096 -10.190 -3.008 1.00 0.00 H new ATOM 683 N LEU A 43 -14.699 -4.964 -0.274 1.00 0.00 N ATOM 684 CA LEU A 43 -13.218 -4.984 -0.423 1.00 0.00 C ATOM 685 C LEU A 43 -12.591 -5.559 0.849 1.00 0.00 C ATOM 686 O LEU A 43 -11.627 -6.300 0.804 1.00 0.00 O ATOM 687 CB LEU A 43 -12.814 -3.521 -0.604 1.00 0.00 C ATOM 688 CG LEU A 43 -13.274 -3.034 -1.978 1.00 0.00 C ATOM 689 CD1 LEU A 43 -13.039 -1.528 -2.093 1.00 0.00 C ATOM 690 CD2 LEU A 43 -12.479 -3.756 -3.067 1.00 0.00 C ATOM 0 H LEU A 43 -15.071 -4.158 0.228 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.887 -5.597 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.261 -2.909 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.733 -3.417 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.336 -3.246 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.367 -1.182 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.605 -1.011 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.977 -1.315 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.807 -3.409 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.417 -3.544 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.646 -4.830 -2.988 1.00 0.00 H new ATOM 702 N GLY A 44 -13.143 -5.214 1.986 1.00 0.00 N ATOM 703 CA GLY A 44 -12.603 -5.722 3.283 1.00 0.00 C ATOM 704 C GLY A 44 -12.649 -7.252 3.302 1.00 0.00 C ATOM 705 O GLY A 44 -11.804 -7.896 3.895 1.00 0.00 O ATOM 0 H GLY A 44 -13.951 -4.597 2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.578 -5.378 3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.187 -5.321 4.112 1.00 0.00 H new ATOM 709 N GLU A 45 -13.631 -7.837 2.660 1.00 0.00 N ATOM 710 CA GLU A 45 -13.738 -9.332 2.637 1.00 0.00 C ATOM 711 C GLU A 45 -12.441 -9.953 2.105 1.00 0.00 C ATOM 712 O GLU A 45 -12.000 -10.986 2.574 1.00 0.00 O ATOM 713 CB GLU A 45 -14.904 -9.642 1.695 1.00 0.00 C ATOM 714 CG GLU A 45 -15.352 -11.091 1.897 1.00 0.00 C ATOM 715 CD GLU A 45 -16.726 -11.295 1.256 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.676 -10.699 1.734 1.00 0.00 O ATOM 717 OE2 GLU A 45 -16.803 -12.046 0.297 1.00 0.00 O ATOM 0 H GLU A 45 -14.364 -7.344 2.150 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.902 -9.742 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.734 -8.963 1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.601 -9.485 0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.627 -11.772 1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.397 -11.324 2.961 1.00 0.00 H new ATOM 724 N MET A 46 -11.827 -9.322 1.138 1.00 0.00 N ATOM 725 CA MET A 46 -10.551 -9.860 0.578 1.00 0.00 C ATOM 726 C MET A 46 -9.403 -9.572 1.548 1.00 0.00 C ATOM 727 O MET A 46 -8.576 -10.422 1.817 1.00 0.00 O ATOM 728 CB MET A 46 -10.341 -9.111 -0.740 1.00 0.00 C ATOM 729 CG MET A 46 -11.461 -9.472 -1.717 1.00 0.00 C ATOM 730 SD MET A 46 -11.294 -8.474 -3.218 1.00 0.00 S ATOM 731 CE MET A 46 -11.748 -9.766 -4.401 1.00 0.00 C ATOM 0 H MET A 46 -12.155 -8.456 0.711 1.00 0.00 H new ATOM 0 HA MET A 46 -10.585 -10.939 0.425 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.332 -8.036 -0.562 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.373 -9.371 -1.168 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.415 -10.532 -1.965 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.432 -9.295 -1.255 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.711 -9.362 -5.413 1.00 0.00 H new ATOM 0 HE2 MET A 46 -11.049 -10.598 -4.317 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.758 -10.117 -4.187 1.00 0.00 H new ATOM 741 N TRP A 47 -9.351 -8.372 2.073 1.00 0.00 N ATOM 742 CA TRP A 47 -8.258 -8.007 3.032 1.00 0.00 C ATOM 743 C TRP A 47 -8.203 -8.998 4.202 1.00 0.00 C ATOM 744 O TRP A 47 -7.184 -9.144 4.850 1.00 0.00 O ATOM 745 CB TRP A 47 -8.618 -6.608 3.537 1.00 0.00 C ATOM 746 CG TRP A 47 -7.501 -6.077 4.376 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.570 -5.852 5.708 1.00 0.00 C ATOM 748 CD2 TRP A 47 -6.154 -5.702 3.967 1.00 0.00 C ATOM 749 NE1 TRP A 47 -6.352 -5.361 6.143 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.446 -5.251 5.106 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.484 -5.708 2.730 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -4.121 -4.822 5.022 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.150 -5.277 2.642 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.470 -4.835 3.785 1.00 0.00 C ATOM 0 H TRP A 47 -10.020 -7.627 1.879 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.279 -8.033 2.554 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.802 -5.942 2.694 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.538 -6.646 4.120 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.435 -6.027 6.330 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.148 -5.111 7.111 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.998 -6.046 1.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.602 -4.482 5.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.645 -5.286 1.687 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.444 -4.505 3.710 1.00 0.00 H new ATOM 765 N SER A 48 -9.289 -9.681 4.477 1.00 0.00 N ATOM 766 CA SER A 48 -9.296 -10.662 5.604 1.00 0.00 C ATOM 767 C SER A 48 -8.846 -12.038 5.107 1.00 0.00 C ATOM 768 O SER A 48 -8.241 -12.801 5.836 1.00 0.00 O ATOM 769 CB SER A 48 -10.748 -10.710 6.077 1.00 0.00 C ATOM 770 OG SER A 48 -10.830 -11.495 7.259 1.00 0.00 O ATOM 0 H SER A 48 -10.170 -9.600 3.969 1.00 0.00 H new ATOM 0 HA SER A 48 -8.616 -10.376 6.407 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.113 -9.701 6.270 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.382 -11.135 5.299 1.00 0.00 H new ATOM 0 HG SER A 48 -11.760 -11.527 7.567 1.00 0.00 H new ATOM 776 N GLU A 49 -9.133 -12.356 3.870 1.00 0.00 N ATOM 777 CA GLU A 49 -8.719 -13.680 3.313 1.00 0.00 C ATOM 778 C GLU A 49 -7.333 -13.591 2.653 1.00 0.00 C ATOM 779 O GLU A 49 -6.785 -14.587 2.222 1.00 0.00 O ATOM 780 CB GLU A 49 -9.786 -14.017 2.270 1.00 0.00 C ATOM 781 CG GLU A 49 -11.071 -14.450 2.975 1.00 0.00 C ATOM 782 CD GLU A 49 -10.925 -15.892 3.465 1.00 0.00 C ATOM 783 OE1 GLU A 49 -10.328 -16.082 4.512 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.411 -16.781 2.786 1.00 0.00 O ATOM 0 H GLU A 49 -9.638 -11.754 3.220 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.642 -14.441 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.980 -13.149 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.431 -14.814 1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.277 -13.788 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.917 -14.371 2.292 1.00 0.00 H new ATOM 791 N GLN A 50 -6.761 -12.411 2.574 1.00 0.00 N ATOM 792 CA GLN A 50 -5.411 -12.265 1.943 1.00 0.00 C ATOM 793 C GLN A 50 -4.378 -13.121 2.677 1.00 0.00 C ATOM 794 O GLN A 50 -4.713 -13.967 3.484 1.00 0.00 O ATOM 795 CB GLN A 50 -5.059 -10.777 2.065 1.00 0.00 C ATOM 796 CG GLN A 50 -5.053 -10.352 3.537 1.00 0.00 C ATOM 797 CD GLN A 50 -3.652 -10.550 4.117 1.00 0.00 C ATOM 798 OE1 GLN A 50 -2.676 -10.133 3.529 1.00 0.00 O ATOM 799 NE2 GLN A 50 -3.512 -11.173 5.255 1.00 0.00 N ATOM 0 H GLN A 50 -7.172 -11.544 2.920 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.415 -12.596 0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.081 -10.590 1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.781 -10.179 1.509 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.351 -9.307 3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.778 -10.940 4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.333 -11.523 5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.582 -11.310 5.651 1.00 0.00 H new ATOM 808 N SER A 51 -3.124 -12.896 2.397 1.00 0.00 N ATOM 809 CA SER A 51 -2.043 -13.676 3.061 1.00 0.00 C ATOM 810 C SER A 51 -0.741 -12.865 3.016 1.00 0.00 C ATOM 811 O SER A 51 -0.768 -11.649 3.066 1.00 0.00 O ATOM 812 CB SER A 51 -1.933 -14.962 2.237 1.00 0.00 C ATOM 813 OG SER A 51 -1.111 -15.893 2.928 1.00 0.00 O ATOM 0 H SER A 51 -2.799 -12.197 1.729 1.00 0.00 H new ATOM 0 HA SER A 51 -2.244 -13.896 4.109 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.923 -15.387 2.071 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.511 -14.744 1.256 1.00 0.00 H new ATOM 0 HG SER A 51 -1.040 -16.718 2.404 1.00 0.00 H new ATOM 819 N ALA A 52 0.393 -13.514 2.915 1.00 0.00 N ATOM 820 CA ALA A 52 1.683 -12.760 2.861 1.00 0.00 C ATOM 821 C ALA A 52 1.869 -12.082 1.494 1.00 0.00 C ATOM 822 O ALA A 52 2.833 -11.371 1.284 1.00 0.00 O ATOM 823 CB ALA A 52 2.771 -13.811 3.087 1.00 0.00 C ATOM 0 H ALA A 52 0.481 -14.529 2.868 1.00 0.00 H new ATOM 0 HA ALA A 52 1.715 -11.966 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.750 -13.333 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.624 -14.284 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.716 -14.566 2.303 1.00 0.00 H new ATOM 829 N LYS A 53 0.967 -12.295 0.556 1.00 0.00 N ATOM 830 CA LYS A 53 1.121 -11.661 -0.788 1.00 0.00 C ATOM 831 C LYS A 53 0.419 -10.300 -0.834 1.00 0.00 C ATOM 832 O LYS A 53 0.911 -9.365 -1.436 1.00 0.00 O ATOM 833 CB LYS A 53 0.458 -12.636 -1.762 1.00 0.00 C ATOM 834 CG LYS A 53 1.474 -13.696 -2.194 1.00 0.00 C ATOM 835 CD LYS A 53 0.756 -14.806 -2.966 1.00 0.00 C ATOM 836 CE LYS A 53 0.034 -15.729 -1.982 1.00 0.00 C ATOM 837 NZ LYS A 53 -0.123 -17.018 -2.709 1.00 0.00 N ATOM 0 H LYS A 53 0.138 -12.878 0.668 1.00 0.00 H new ATOM 0 HA LYS A 53 2.167 -11.478 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.401 -13.112 -1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.084 -12.098 -2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.244 -13.244 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.976 -14.112 -1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.041 -14.373 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.474 -15.376 -3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.611 -15.860 -1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.933 -15.318 -1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.611 -17.704 -2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.682 -16.864 -3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.814 -17.388 -2.966 1.00 0.00 H new ATOM 851 N ASP A 54 -0.732 -10.183 -0.214 1.00 0.00 N ATOM 852 CA ASP A 54 -1.468 -8.879 -0.239 1.00 0.00 C ATOM 853 C ASP A 54 -1.014 -7.976 0.914 1.00 0.00 C ATOM 854 O ASP A 54 -1.825 -7.421 1.632 1.00 0.00 O ATOM 855 CB ASP A 54 -2.947 -9.248 -0.088 1.00 0.00 C ATOM 856 CG ASP A 54 -3.772 -8.532 -1.161 1.00 0.00 C ATOM 857 OD1 ASP A 54 -3.409 -7.422 -1.515 1.00 0.00 O ATOM 858 OD2 ASP A 54 -4.751 -9.103 -1.609 1.00 0.00 O ATOM 0 H ASP A 54 -1.191 -10.931 0.306 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.279 -8.325 -1.158 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.073 -10.327 -0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.302 -8.968 0.904 1.00 0.00 H new ATOM 863 N LYS A 55 0.272 -7.805 1.074 1.00 0.00 N ATOM 864 CA LYS A 55 0.796 -6.918 2.154 1.00 0.00 C ATOM 865 C LYS A 55 2.228 -6.498 1.826 1.00 0.00 C ATOM 866 O LYS A 55 2.519 -5.337 1.713 1.00 0.00 O ATOM 867 CB LYS A 55 0.772 -7.747 3.435 1.00 0.00 C ATOM 868 CG LYS A 55 -0.615 -7.665 4.074 1.00 0.00 C ATOM 869 CD LYS A 55 -0.499 -7.899 5.581 1.00 0.00 C ATOM 870 CE LYS A 55 -0.506 -9.403 5.868 1.00 0.00 C ATOM 871 NZ LYS A 55 -1.114 -9.534 7.221 1.00 0.00 N ATOM 0 H LYS A 55 0.988 -8.246 0.497 1.00 0.00 H new ATOM 0 HA LYS A 55 0.198 -6.013 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.020 -8.785 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.526 -7.381 4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.059 -6.688 3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.276 -8.409 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.419 -7.450 5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.327 -7.416 6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.086 -9.945 5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.504 -9.813 5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.153 -10.538 7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.537 -9.014 7.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.077 -9.141 7.208 1.00 0.00 H new ATOM 885 N GLN A 56 3.123 -7.446 1.693 1.00 0.00 N ATOM 886 CA GLN A 56 4.564 -7.130 1.390 1.00 0.00 C ATOM 887 C GLN A 56 4.729 -5.999 0.345 1.00 0.00 C ATOM 888 O GLN A 56 5.450 -5.053 0.589 1.00 0.00 O ATOM 889 CB GLN A 56 5.140 -8.438 0.841 1.00 0.00 C ATOM 890 CG GLN A 56 5.808 -9.222 1.974 1.00 0.00 C ATOM 891 CD GLN A 56 7.168 -8.599 2.293 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.326 -7.938 3.300 1.00 0.00 O ATOM 893 NE2 GLN A 56 8.166 -8.784 1.472 1.00 0.00 N ATOM 0 H GLN A 56 2.918 -8.441 1.782 1.00 0.00 H new ATOM 0 HA GLN A 56 5.073 -6.771 2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.347 -9.035 0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.865 -8.226 0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.174 -9.211 2.861 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.933 -10.265 1.684 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.035 -9.339 0.626 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.077 -8.374 1.676 1.00 0.00 H new ATOM 902 N PRO A 57 4.075 -6.131 -0.789 1.00 0.00 N ATOM 903 CA PRO A 57 4.197 -5.094 -1.850 1.00 0.00 C ATOM 904 C PRO A 57 3.398 -3.822 -1.514 1.00 0.00 C ATOM 905 O PRO A 57 3.811 -2.726 -1.842 1.00 0.00 O ATOM 906 CB PRO A 57 3.617 -5.774 -3.084 1.00 0.00 C ATOM 907 CG PRO A 57 2.680 -6.809 -2.554 1.00 0.00 C ATOM 908 CD PRO A 57 3.189 -7.231 -1.200 1.00 0.00 C ATOM 0 HA PRO A 57 5.227 -4.762 -1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.095 -5.059 -3.720 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.402 -6.226 -3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.670 -6.407 -2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.632 -7.664 -3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.371 -7.369 -0.493 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.727 -8.177 -1.254 1.00 0.00 H new ATOM 916 N TYR A 58 2.253 -3.958 -0.892 1.00 0.00 N ATOM 917 CA TYR A 58 1.420 -2.750 -0.569 1.00 0.00 C ATOM 918 C TYR A 58 1.809 -2.132 0.783 1.00 0.00 C ATOM 919 O TYR A 58 1.476 -0.997 1.067 1.00 0.00 O ATOM 920 CB TYR A 58 -0.016 -3.273 -0.517 1.00 0.00 C ATOM 921 CG TYR A 58 -0.628 -3.205 -1.895 1.00 0.00 C ATOM 922 CD1 TYR A 58 -0.104 -3.983 -2.934 1.00 0.00 C ATOM 923 CD2 TYR A 58 -1.722 -2.363 -2.134 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.672 -3.919 -4.212 1.00 0.00 C ATOM 925 CE2 TYR A 58 -2.289 -2.299 -3.413 1.00 0.00 C ATOM 926 CZ TYR A 58 -1.765 -3.078 -4.451 1.00 0.00 C ATOM 927 OH TYR A 58 -2.325 -3.015 -5.711 1.00 0.00 O ATOM 0 H TYR A 58 1.857 -4.849 -0.593 1.00 0.00 H new ATOM 0 HA TYR A 58 1.559 -1.962 -1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.027 -4.300 -0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.605 -2.681 0.183 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.739 -4.633 -2.750 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.128 -1.764 -1.332 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.267 -4.519 -5.014 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -3.131 -1.648 -3.598 1.00 0.00 H new ATOM 0 HH TYR A 58 -3.075 -2.384 -5.704 1.00 0.00 H new ATOM 937 N GLU A 59 2.495 -2.866 1.618 1.00 0.00 N ATOM 938 CA GLU A 59 2.893 -2.329 2.953 1.00 0.00 C ATOM 939 C GLU A 59 4.205 -1.538 2.832 1.00 0.00 C ATOM 940 O GLU A 59 4.437 -0.588 3.554 1.00 0.00 O ATOM 941 CB GLU A 59 3.034 -3.581 3.852 1.00 0.00 C ATOM 942 CG GLU A 59 4.311 -4.367 3.521 1.00 0.00 C ATOM 943 CD GLU A 59 5.484 -3.799 4.323 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.465 -3.931 5.535 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.381 -3.244 3.711 1.00 0.00 O ATOM 0 H GLU A 59 2.799 -3.822 1.431 1.00 0.00 H new ATOM 0 HA GLU A 59 2.169 -1.631 3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.052 -3.279 4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.164 -4.225 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.173 -5.422 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.523 -4.304 2.454 1.00 0.00 H new ATOM 952 N GLN A 60 5.051 -1.927 1.913 1.00 0.00 N ATOM 953 CA GLN A 60 6.345 -1.205 1.722 1.00 0.00 C ATOM 954 C GLN A 60 6.113 0.101 0.951 1.00 0.00 C ATOM 955 O GLN A 60 6.878 1.041 1.061 1.00 0.00 O ATOM 956 CB GLN A 60 7.236 -2.170 0.924 1.00 0.00 C ATOM 957 CG GLN A 60 6.627 -2.445 -0.460 1.00 0.00 C ATOM 958 CD GLN A 60 7.641 -3.202 -1.319 1.00 0.00 C ATOM 959 OE1 GLN A 60 8.204 -2.650 -2.244 1.00 0.00 O ATOM 960 NE2 GLN A 60 7.899 -4.454 -1.053 1.00 0.00 N ATOM 0 H GLN A 60 4.901 -2.716 1.285 1.00 0.00 H new ATOM 0 HA GLN A 60 6.809 -0.930 2.669 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.233 -1.744 0.811 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.349 -3.106 1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.712 -3.029 -0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.354 -1.507 -0.942 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.427 -4.918 -0.277 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.572 -4.968 -1.621 1.00 0.00 H new ATOM 969 N LYS A 61 5.057 0.165 0.176 1.00 0.00 N ATOM 970 CA LYS A 61 4.763 1.407 -0.601 1.00 0.00 C ATOM 971 C LYS A 61 4.505 2.570 0.357 1.00 0.00 C ATOM 972 O LYS A 61 4.996 3.666 0.158 1.00 0.00 O ATOM 973 CB LYS A 61 3.507 1.078 -1.422 1.00 0.00 C ATOM 974 CG LYS A 61 3.048 2.309 -2.207 1.00 0.00 C ATOM 975 CD LYS A 61 2.008 1.894 -3.248 1.00 0.00 C ATOM 976 CE LYS A 61 1.709 3.076 -4.172 1.00 0.00 C ATOM 977 NZ LYS A 61 0.479 2.684 -4.914 1.00 0.00 N ATOM 0 H LYS A 61 4.385 -0.592 0.049 1.00 0.00 H new ATOM 0 HA LYS A 61 5.591 1.706 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.718 0.258 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.709 0.742 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.623 3.048 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.901 2.779 -2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.377 1.049 -3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.094 1.566 -2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.551 3.992 -3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.538 3.263 -4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.211 3.446 -5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.661 1.813 -5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.295 2.519 -4.240 1.00 0.00 H new ATOM 991 N ALA A 62 3.756 2.336 1.404 1.00 0.00 N ATOM 992 CA ALA A 62 3.486 3.424 2.388 1.00 0.00 C ATOM 993 C ALA A 62 4.693 3.599 3.319 1.00 0.00 C ATOM 994 O ALA A 62 4.821 4.602 3.995 1.00 0.00 O ATOM 995 CB ALA A 62 2.261 2.959 3.176 1.00 0.00 C ATOM 0 H ALA A 62 3.321 1.439 1.619 1.00 0.00 H new ATOM 0 HA ALA A 62 3.312 4.385 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.001 3.710 3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.422 2.819 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.485 2.016 3.674 1.00 0.00 H new ATOM 1001 N ALA A 63 5.579 2.628 3.359 1.00 0.00 N ATOM 1002 CA ALA A 63 6.779 2.735 4.244 1.00 0.00 C ATOM 1003 C ALA A 63 7.595 3.980 3.890 1.00 0.00 C ATOM 1004 O ALA A 63 8.054 4.691 4.766 1.00 0.00 O ATOM 1005 CB ALA A 63 7.595 1.469 3.979 1.00 0.00 C ATOM 0 H ALA A 63 5.520 1.767 2.815 1.00 0.00 H new ATOM 0 HA ALA A 63 6.501 2.825 5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.493 1.479 4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.996 0.592 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.878 1.432 2.927 1.00 0.00 H new ATOM 1011 N LYS A 64 7.783 4.255 2.619 1.00 0.00 N ATOM 1012 CA LYS A 64 8.576 5.464 2.229 1.00 0.00 C ATOM 1013 C LYS A 64 7.790 6.736 2.558 1.00 0.00 C ATOM 1014 O LYS A 64 8.221 7.552 3.348 1.00 0.00 O ATOM 1015 CB LYS A 64 8.787 5.341 0.715 1.00 0.00 C ATOM 1016 CG LYS A 64 9.546 4.048 0.404 1.00 0.00 C ATOM 1017 CD LYS A 64 11.009 4.197 0.825 1.00 0.00 C ATOM 1018 CE LYS A 64 11.719 2.848 0.694 1.00 0.00 C ATOM 1019 NZ LYS A 64 13.090 3.081 1.225 1.00 0.00 N ATOM 0 H LYS A 64 7.425 3.699 1.842 1.00 0.00 H new ATOM 0 HA LYS A 64 9.523 5.523 2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.825 5.342 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.346 6.200 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.089 3.211 0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.485 3.826 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.504 4.942 0.202 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.068 4.552 1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.203 2.073 1.261 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.749 2.517 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.639 2.199 1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.560 3.818 0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.031 3.388 2.217 1.00 0.00 H new ATOM 1033 N LEU A 65 6.643 6.912 1.940 1.00 0.00 N ATOM 1034 CA LEU A 65 5.805 8.138 2.188 1.00 0.00 C ATOM 1035 C LEU A 65 5.685 8.454 3.687 1.00 0.00 C ATOM 1036 O LEU A 65 5.513 9.597 4.071 1.00 0.00 O ATOM 1037 CB LEU A 65 4.432 7.800 1.608 1.00 0.00 C ATOM 1038 CG LEU A 65 4.410 8.137 0.116 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.943 6.949 -0.685 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.974 8.439 -0.319 1.00 0.00 C ATOM 0 H LEU A 65 6.247 6.254 1.269 1.00 0.00 H new ATOM 0 HA LEU A 65 6.251 9.020 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.214 6.742 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.657 8.361 2.130 1.00 0.00 H new ATOM 0 HG LEU A 65 5.037 9.010 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.927 7.190 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.966 6.732 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.317 6.076 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.959 8.679 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.347 7.567 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.592 9.287 0.250 1.00 0.00 H new ATOM 1052 N LYS A 66 5.790 7.458 4.532 1.00 0.00 N ATOM 1053 CA LYS A 66 5.700 7.713 6.002 1.00 0.00 C ATOM 1054 C LYS A 66 6.875 8.587 6.439 1.00 0.00 C ATOM 1055 O LYS A 66 6.699 9.610 7.073 1.00 0.00 O ATOM 1056 CB LYS A 66 5.781 6.335 6.661 1.00 0.00 C ATOM 1057 CG LYS A 66 5.562 6.475 8.169 1.00 0.00 C ATOM 1058 CD LYS A 66 4.065 6.605 8.456 1.00 0.00 C ATOM 1059 CE LYS A 66 3.808 6.368 9.946 1.00 0.00 C ATOM 1060 NZ LYS A 66 2.443 5.777 10.010 1.00 0.00 N ATOM 0 H LYS A 66 5.934 6.483 4.268 1.00 0.00 H new ATOM 0 HA LYS A 66 4.783 8.233 6.279 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.029 5.671 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.753 5.883 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.969 5.608 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.093 7.350 8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.714 7.596 8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.506 5.883 7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.551 5.694 10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.862 7.300 10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.194 5.586 11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.757 6.444 9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.424 4.888 9.471 1.00 0.00 H new ATOM 1074 N GLU A 67 8.075 8.191 6.092 1.00 0.00 N ATOM 1075 CA GLU A 67 9.276 8.996 6.471 1.00 0.00 C ATOM 1076 C GLU A 67 9.183 10.392 5.850 1.00 0.00 C ATOM 1077 O GLU A 67 9.314 11.393 6.529 1.00 0.00 O ATOM 1078 CB GLU A 67 10.474 8.236 5.897 1.00 0.00 C ATOM 1079 CG GLU A 67 10.838 7.077 6.828 1.00 0.00 C ATOM 1080 CD GLU A 67 11.941 6.233 6.185 1.00 0.00 C ATOM 1081 OE1 GLU A 67 12.986 6.788 5.885 1.00 0.00 O ATOM 1082 OE2 GLU A 67 11.721 5.047 6.002 1.00 0.00 O ATOM 0 H GLU A 67 8.274 7.343 5.561 1.00 0.00 H new ATOM 0 HA GLU A 67 9.361 9.125 7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.235 7.857 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.325 8.908 5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.174 7.462 7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.959 6.461 7.020 1.00 0.00 H new ATOM 1089 N LYS A 68 8.957 10.463 4.561 1.00 0.00 N ATOM 1090 CA LYS A 68 8.851 11.795 3.880 1.00 0.00 C ATOM 1091 C LYS A 68 7.766 12.651 4.540 1.00 0.00 C ATOM 1092 O LYS A 68 7.817 13.865 4.501 1.00 0.00 O ATOM 1093 CB LYS A 68 8.473 11.478 2.431 1.00 0.00 C ATOM 1094 CG LYS A 68 9.726 11.066 1.654 1.00 0.00 C ATOM 1095 CD LYS A 68 9.346 10.729 0.211 1.00 0.00 C ATOM 1096 CE LYS A 68 10.465 9.907 -0.433 1.00 0.00 C ATOM 1097 NZ LYS A 68 10.137 9.883 -1.885 1.00 0.00 N ATOM 0 H LYS A 68 8.841 9.656 3.949 1.00 0.00 H new ATOM 0 HA LYS A 68 9.781 12.359 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.735 10.676 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.014 12.350 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.458 11.874 1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.194 10.203 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.411 10.169 0.191 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.181 11.645 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.440 10.361 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.502 8.899 -0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.860 9.337 -2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.206 9.440 -2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.115 10.856 -2.252 1.00 0.00 H new ATOM 1111 N TYR A 69 6.790 12.028 5.154 1.00 0.00 N ATOM 1112 CA TYR A 69 5.707 12.804 5.828 1.00 0.00 C ATOM 1113 C TYR A 69 6.182 13.249 7.212 1.00 0.00 C ATOM 1114 O TYR A 69 6.307 14.429 7.486 1.00 0.00 O ATOM 1115 CB TYR A 69 4.530 11.832 5.946 1.00 0.00 C ATOM 1116 CG TYR A 69 3.324 12.563 6.485 1.00 0.00 C ATOM 1117 CD1 TYR A 69 3.215 12.815 7.858 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.312 12.985 5.614 1.00 0.00 C ATOM 1119 CE1 TYR A 69 2.096 13.491 8.360 1.00 0.00 C ATOM 1120 CE2 TYR A 69 1.193 13.661 6.116 1.00 0.00 C ATOM 1121 CZ TYR A 69 1.086 13.914 7.488 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.018 14.581 7.982 1.00 0.00 O ATOM 0 H TYR A 69 6.698 11.014 5.217 1.00 0.00 H new ATOM 0 HA TYR A 69 5.429 13.702 5.276 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.301 11.401 4.971 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.792 11.005 6.606 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.994 12.488 8.530 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.394 12.789 4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.012 13.686 9.419 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.413 13.987 5.444 1.00 0.00 H new ATOM 0 HH TYR A 69 0.236 15.085 8.783 1.00 0.00 H new ATOM 1132 N GLU A 70 6.454 12.311 8.086 1.00 0.00 N ATOM 1133 CA GLU A 70 6.931 12.668 9.462 1.00 0.00 C ATOM 1134 C GLU A 70 8.176 13.563 9.389 1.00 0.00 C ATOM 1135 O GLU A 70 8.469 14.304 10.309 1.00 0.00 O ATOM 1136 CB GLU A 70 7.274 11.333 10.126 1.00 0.00 C ATOM 1137 CG GLU A 70 6.082 10.851 10.954 1.00 0.00 C ATOM 1138 CD GLU A 70 6.520 9.697 11.858 1.00 0.00 C ATOM 1139 OE1 GLU A 70 7.360 9.927 12.713 1.00 0.00 O ATOM 1140 OE2 GLU A 70 6.008 8.605 11.681 1.00 0.00 O ATOM 0 H GLU A 70 6.367 11.311 7.907 1.00 0.00 H new ATOM 0 HA GLU A 70 6.177 13.223 10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.526 10.592 9.367 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.150 11.447 10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.690 11.670 11.557 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.277 10.525 10.296 1.00 0.00 H new ATOM 1147 N LYS A 71 8.907 13.499 8.303 1.00 0.00 N ATOM 1148 CA LYS A 71 10.132 14.341 8.167 1.00 0.00 C ATOM 1149 C LYS A 71 9.783 15.696 7.541 1.00 0.00 C ATOM 1150 O LYS A 71 10.010 16.737 8.130 1.00 0.00 O ATOM 1151 CB LYS A 71 11.057 13.547 7.244 1.00 0.00 C ATOM 1152 CG LYS A 71 12.449 14.181 7.246 1.00 0.00 C ATOM 1153 CD LYS A 71 13.190 13.794 5.965 1.00 0.00 C ATOM 1154 CE LYS A 71 13.715 12.362 6.091 1.00 0.00 C ATOM 1155 NZ LYS A 71 14.131 11.983 4.711 1.00 0.00 N ATOM 0 H LYS A 71 8.706 12.898 7.504 1.00 0.00 H new ATOM 0 HA LYS A 71 10.596 14.550 9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.118 12.511 7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.654 13.534 6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.366 15.266 7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.011 13.847 8.118 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.522 13.873 5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.017 14.482 5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.554 12.308 6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.944 11.691 6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.503 11.012 4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.311 12.037 4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.870 12.635 4.380 1.00 0.00 H new ATOM 1169 N ASP A 72 9.246 15.688 6.347 1.00 0.00 N ATOM 1170 CA ASP A 72 8.890 16.974 5.665 1.00 0.00 C ATOM 1171 C ASP A 72 7.941 17.813 6.530 1.00 0.00 C ATOM 1172 O ASP A 72 7.866 19.019 6.381 1.00 0.00 O ATOM 1173 CB ASP A 72 8.198 16.565 4.363 1.00 0.00 C ATOM 1174 CG ASP A 72 7.917 17.809 3.519 1.00 0.00 C ATOM 1175 OD1 ASP A 72 7.134 18.634 3.959 1.00 0.00 O ATOM 1176 OD2 ASP A 72 8.490 17.915 2.447 1.00 0.00 O ATOM 0 H ASP A 72 9.037 14.845 5.812 1.00 0.00 H new ATOM 0 HA ASP A 72 9.773 17.587 5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.828 15.871 3.807 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.266 16.044 4.583 1.00 0.00 H new ATOM 1181 N ILE A 73 7.221 17.191 7.433 1.00 0.00 N ATOM 1182 CA ILE A 73 6.285 17.968 8.304 1.00 0.00 C ATOM 1183 C ILE A 73 7.070 18.669 9.417 1.00 0.00 C ATOM 1184 O ILE A 73 6.707 19.736 9.869 1.00 0.00 O ATOM 1185 CB ILE A 73 5.295 16.941 8.877 1.00 0.00 C ATOM 1186 CG1 ILE A 73 4.216 17.677 9.676 1.00 0.00 C ATOM 1187 CG2 ILE A 73 6.015 15.949 9.797 1.00 0.00 C ATOM 1188 CD1 ILE A 73 3.254 18.374 8.712 1.00 0.00 C ATOM 0 H ILE A 73 7.241 16.186 7.603 1.00 0.00 H new ATOM 0 HA ILE A 73 5.758 18.746 7.752 1.00 0.00 H new ATOM 0 HB ILE A 73 4.845 16.389 8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.671 16.973 10.305 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.676 18.409 10.340 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.296 15.231 10.192 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.783 15.420 9.232 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.479 16.489 10.622 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.486 18.898 9.280 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.805 19.089 8.102 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.785 17.632 8.066 1.00 0.00 H new ATOM 1200 N ALA A 74 8.146 18.066 9.865 1.00 0.00 N ATOM 1201 CA ALA A 74 8.970 18.683 10.956 1.00 0.00 C ATOM 1202 C ALA A 74 9.333 20.132 10.602 1.00 0.00 C ATOM 1203 O ALA A 74 9.468 20.976 11.467 1.00 0.00 O ATOM 1204 CB ALA A 74 10.230 17.819 11.040 1.00 0.00 C ATOM 0 H ALA A 74 8.491 17.170 9.521 1.00 0.00 H new ATOM 0 HA ALA A 74 8.434 18.717 11.904 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.886 18.208 11.819 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.952 16.792 11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.751 17.841 10.083 1.00 0.00 H new ATOM 1210 N ALA A 75 9.471 20.421 9.333 1.00 0.00 N ATOM 1211 CA ALA A 75 9.804 21.815 8.907 1.00 0.00 C ATOM 1212 C ALA A 75 8.532 22.678 8.837 1.00 0.00 C ATOM 1213 O ALA A 75 8.597 23.865 8.574 1.00 0.00 O ATOM 1214 CB ALA A 75 10.425 21.665 7.518 1.00 0.00 C ATOM 0 H ALA A 75 9.367 19.750 8.571 1.00 0.00 H new ATOM 0 HA ALA A 75 10.478 22.307 9.608 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.698 22.648 7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.316 21.040 7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.704 21.200 6.845 1.00 0.00 H new ATOM 1220 N TYR A 76 7.379 22.100 9.092 1.00 0.00 N ATOM 1221 CA TYR A 76 6.111 22.886 9.066 1.00 0.00 C ATOM 1222 C TYR A 76 5.611 23.123 10.500 1.00 0.00 C ATOM 1223 O TYR A 76 4.443 23.381 10.724 1.00 0.00 O ATOM 1224 CB TYR A 76 5.126 22.009 8.288 1.00 0.00 C ATOM 1225 CG TYR A 76 3.808 22.731 8.141 1.00 0.00 C ATOM 1226 CD1 TYR A 76 3.699 23.817 7.264 1.00 0.00 C ATOM 1227 CD2 TYR A 76 2.695 22.315 8.881 1.00 0.00 C ATOM 1228 CE1 TYR A 76 2.477 24.487 7.128 1.00 0.00 C ATOM 1229 CE2 TYR A 76 1.474 22.985 8.746 1.00 0.00 C ATOM 1230 CZ TYR A 76 1.365 24.071 7.869 1.00 0.00 C ATOM 1231 OH TYR A 76 0.160 24.731 7.735 1.00 0.00 O ATOM 0 H TYR A 76 7.267 21.112 9.318 1.00 0.00 H new ATOM 0 HA TYR A 76 6.234 23.867 8.607 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.533 21.772 7.305 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.977 21.063 8.808 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.557 24.138 6.692 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.779 21.476 9.556 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.393 25.325 6.451 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.616 22.665 9.318 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.508 24.315 8.319 1.00 0.00 H new ATOM 1241 N ARG A 77 6.486 23.020 11.473 1.00 0.00 N ATOM 1242 CA ARG A 77 6.062 23.220 12.893 1.00 0.00 C ATOM 1243 C ARG A 77 6.993 24.199 13.620 1.00 0.00 C ATOM 1244 O ARG A 77 6.565 24.934 14.490 1.00 0.00 O ATOM 1245 CB ARG A 77 6.148 21.828 13.524 1.00 0.00 C ATOM 1246 CG ARG A 77 5.175 20.883 12.816 1.00 0.00 C ATOM 1247 CD ARG A 77 5.390 19.454 13.322 1.00 0.00 C ATOM 1248 NE ARG A 77 4.777 19.432 14.680 1.00 0.00 N ATOM 1249 CZ ARG A 77 3.732 18.687 14.911 1.00 0.00 C ATOM 1250 NH1 ARG A 77 3.829 17.387 14.852 1.00 0.00 N ATOM 1251 NH2 ARG A 77 2.586 19.242 15.201 1.00 0.00 N ATOM 0 H ARG A 77 7.475 22.806 11.343 1.00 0.00 H new ATOM 0 HA ARG A 77 5.062 23.648 12.960 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.165 21.444 13.446 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.909 21.884 14.586 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.148 21.195 13.003 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.330 20.925 11.738 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.917 18.726 12.663 1.00 0.00 H new ATOM 0 HD3 ARG A 77 6.450 19.205 13.363 1.00 0.00 H new ATOM 0 HE ARG A 77 5.175 19.999 15.429 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.723 16.952 14.625 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.011 16.806 15.033 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.508 20.258 15.247 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.768 18.659 15.382 1.00 0.00 H new ATOM 1265 N ALA A 78 8.262 24.218 13.276 1.00 0.00 N ATOM 1266 CA ALA A 78 9.226 25.152 13.950 1.00 0.00 C ATOM 1267 C ALA A 78 9.162 24.993 15.475 1.00 0.00 C ATOM 1268 O ALA A 78 8.604 25.822 16.170 1.00 0.00 O ATOM 1269 CB ALA A 78 8.788 26.560 13.535 1.00 0.00 C ATOM 0 H ALA A 78 8.673 23.625 12.555 1.00 0.00 H new ATOM 0 HA ALA A 78 10.256 24.946 13.659 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.449 27.296 13.992 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.838 26.651 12.450 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.765 26.736 13.868 1.00 0.00 H new ATOM 1275 N LYS A 79 9.730 23.935 15.993 1.00 0.00 N ATOM 1276 CA LYS A 79 9.707 23.711 17.470 1.00 0.00 C ATOM 1277 C LYS A 79 11.130 23.752 18.033 1.00 0.00 C ATOM 1278 O LYS A 79 11.318 24.362 19.074 1.00 0.00 O ATOM 1279 CB LYS A 79 9.100 22.321 17.651 1.00 0.00 C ATOM 1280 CG LYS A 79 8.256 22.294 18.927 1.00 0.00 C ATOM 1281 CD LYS A 79 7.169 21.225 18.799 1.00 0.00 C ATOM 1282 CE LYS A 79 5.960 21.622 19.648 1.00 0.00 C ATOM 1283 NZ LYS A 79 5.186 20.362 19.830 1.00 0.00 N ATOM 1284 OXT LYS A 79 12.008 23.172 17.415 1.00 0.00 O ATOM 0 H LYS A 79 10.211 23.214 15.455 1.00 0.00 H new ATOM 0 HA LYS A 79 9.135 24.477 17.994 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.483 22.067 16.789 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.890 21.572 17.709 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.888 22.083 19.789 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.802 23.271 19.096 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.874 21.115 17.756 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.554 20.259 19.125 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.270 22.037 20.607 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.361 22.385 19.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.340 20.554 20.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.898 19.994 18.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.779 19.657 20.313 1.00 0.00 H new TER 1298 LYS A 79