USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 833 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 95 SER OG : rot -126:sc= 2.03 USER MOD Set 1.2: A 98 GLN : amide:sc= 2.2 K(o=4.2,f=-1.2) USER MOD Set 2.1: A 69 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.963) USER MOD Set 2.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 32 CYS SG : rot -52:sc= 0.0662 USER MOD Set 3.2: A 35 CYS SG : rot 75:sc= -1.18 USER MOD Set 4.1: A 8 THR OG1 : rot -35:sc= 1.12 USER MOD Set 4.2: A 11 SER OG : rot 167:sc= 1.89 USER MOD Set 5.1: A 3 LYS NZ :NH3+ -125:sc= 0.236 (180deg=-0.0397) USER MOD Set 5.2: A 50 GLN : amide:sc= 1.35 K(o=1.6,f=-0.045) USER MOD Set 6.1: A 1 SER N :NH3+ 160:sc= 0.415 (180deg=-0.917) USER MOD Set 6.2: A 1 SER OG : rot 77:sc= 1.16 USER MOD Set 6.3: A 6 HIS : no HE2:sc= 1.11 K(o=2.6,f=-9.1!) USER MOD Set 6.4: A 57 LYS NZ :NH3+ 146:sc= -0.0966 (180deg=-1.06) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0.654 (180deg=0.654) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.96 K(o=0.96,f=-9.7!) USER MOD Single : A 62 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.025) USER MOD Single : A 63 ASN : amide:sc= 1.47 K(o=1.5,f=-5.5!) USER MOD Single : A 66 THR OG1 : rot -55:sc= 1.29 USER MOD Single : A 77 THR OG1 : rot -65:sc= 1.25 USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= 1.21 (180deg=1.11) USER MOD Single : A 83 ASN : amide:sc= 0.955 K(o=0.96,f=-0.19) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0682 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0.631 (180deg=0.631) USER MOD Single : A 96 LYS NZ :NH3+ -175:sc= 1.32 (180deg=1.29) USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0111) USER MOD Single : A 106 ASN : amide:sc= 0.324 K(o=0.32,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.075 -5.963 -7.864 1.00 0.00 N ATOM 2 CA SER A 1 -11.263 -5.405 -7.239 1.00 0.00 C ATOM 3 C SER A 1 -11.962 -4.452 -8.208 1.00 0.00 C ATOM 4 O SER A 1 -11.724 -3.245 -8.171 1.00 0.00 O ATOM 5 CB SER A 1 -10.914 -4.725 -5.907 1.00 0.00 C ATOM 6 OG SER A 1 -10.172 -5.603 -5.076 1.00 0.00 O ATOM 0 H1 SER A 1 -9.433 -6.324 -7.129 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.349 -6.741 -8.498 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.592 -5.224 -8.413 1.00 0.00 H new ATOM 0 HA SER A 1 -11.957 -6.212 -7.006 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.337 -3.820 -6.095 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.828 -4.420 -5.398 1.00 0.00 H new ATOM 0 HG SER A 1 -9.247 -5.651 -5.395 1.00 0.00 H new ATOM 12 N ASP A 2 -12.808 -5.014 -9.078 1.00 0.00 N ATOM 13 CA ASP A 2 -13.593 -4.319 -10.096 1.00 0.00 C ATOM 14 C ASP A 2 -12.704 -3.582 -11.102 1.00 0.00 C ATOM 15 O ASP A 2 -12.552 -4.028 -12.235 1.00 0.00 O ATOM 16 CB ASP A 2 -14.649 -3.409 -9.446 1.00 0.00 C ATOM 17 CG ASP A 2 -15.491 -2.671 -10.483 1.00 0.00 C ATOM 18 OD1 ASP A 2 -15.898 -3.330 -11.464 1.00 0.00 O ATOM 19 OD2 ASP A 2 -15.714 -1.459 -10.274 1.00 0.00 O ATOM 0 H ASP A 2 -12.970 -6.021 -9.089 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.133 -5.068 -10.675 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.301 -4.008 -8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.154 -2.684 -8.800 1.00 0.00 H new ATOM 24 N LYS A 3 -12.107 -2.467 -10.677 1.00 0.00 N ATOM 25 CA LYS A 3 -11.195 -1.661 -11.474 1.00 0.00 C ATOM 26 C LYS A 3 -9.742 -1.918 -11.070 1.00 0.00 C ATOM 27 O LYS A 3 -8.834 -1.632 -11.846 1.00 0.00 O ATOM 28 CB LYS A 3 -11.566 -0.181 -11.337 1.00 0.00 C ATOM 29 CG LYS A 3 -12.926 0.095 -11.989 1.00 0.00 C ATOM 30 CD LYS A 3 -13.309 1.567 -11.810 1.00 0.00 C ATOM 31 CE LYS A 3 -14.694 1.868 -12.397 1.00 0.00 C ATOM 32 NZ LYS A 3 -14.732 1.688 -13.859 1.00 0.00 N ATOM 0 H LYS A 3 -12.253 -2.093 -9.739 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.289 -1.945 -12.522 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.599 0.096 -10.283 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.800 0.437 -11.805 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.886 -0.151 -13.050 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.688 -0.544 -11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.301 1.819 -10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.564 2.198 -12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.433 1.214 -11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.976 2.892 -12.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.074 2.562 -14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.776 1.471 -14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.373 0.904 -14.096 1.00 0.00 H new ATOM 46 N ILE A 4 -9.508 -2.456 -9.870 1.00 0.00 N ATOM 47 CA ILE A 4 -8.160 -2.725 -9.410 1.00 0.00 C ATOM 48 C ILE A 4 -7.641 -4.015 -10.033 1.00 0.00 C ATOM 49 O ILE A 4 -8.333 -5.034 -10.018 1.00 0.00 O ATOM 50 CB ILE A 4 -8.111 -2.819 -7.883 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.632 -1.507 -7.279 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.689 -3.144 -7.411 1.00 0.00 C ATOM 53 CD1 ILE A 4 -8.296 -1.358 -5.795 1.00 0.00 C ATOM 0 H ILE A 4 -10.240 -2.711 -9.206 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.522 -1.898 -9.721 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.753 -3.631 -7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.207 -0.667 -7.828 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.713 -1.458 -7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.672 -3.207 -6.323 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.374 -4.098 -7.835 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.008 -2.359 -7.739 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.691 -0.411 -5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.743 -2.180 -5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -7.214 -1.376 -5.663 1.00 0.00 H new ATOM 65 N ILE A 5 -6.408 -3.960 -10.534 1.00 0.00 N ATOM 66 CA ILE A 5 -5.712 -5.090 -11.134 1.00 0.00 C ATOM 67 C ILE A 5 -4.907 -5.825 -10.053 1.00 0.00 C ATOM 68 O ILE A 5 -3.922 -5.298 -9.538 1.00 0.00 O ATOM 69 CB ILE A 5 -4.803 -4.596 -12.277 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.532 -3.674 -13.273 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.151 -5.778 -13.009 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.793 -4.280 -13.898 1.00 0.00 C ATOM 0 H ILE A 5 -5.853 -3.104 -10.532 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.432 -5.789 -11.558 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.023 -3.995 -11.810 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.804 -2.751 -12.761 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.840 -3.404 -14.071 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.515 -5.403 -13.811 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.548 -6.353 -12.306 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.927 -6.418 -13.430 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.240 -3.561 -14.585 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.530 -5.187 -14.442 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.508 -4.523 -13.112 1.00 0.00 H new ATOM 84 N HIS A 6 -5.305 -7.048 -9.700 1.00 0.00 N ATOM 85 CA HIS A 6 -4.576 -7.844 -8.718 1.00 0.00 C ATOM 86 C HIS A 6 -3.411 -8.520 -9.445 1.00 0.00 C ATOM 87 O HIS A 6 -3.620 -9.509 -10.144 1.00 0.00 O ATOM 88 CB HIS A 6 -5.505 -8.852 -8.031 1.00 0.00 C ATOM 89 CG HIS A 6 -6.428 -8.225 -7.011 1.00 0.00 C ATOM 90 ND1 HIS A 6 -6.657 -8.698 -5.730 1.00 0.00 N ATOM 91 CD2 HIS A 6 -7.183 -7.097 -7.179 1.00 0.00 C ATOM 92 CE1 HIS A 6 -7.546 -7.876 -5.145 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.892 -6.912 -6.013 1.00 0.00 N ATOM 0 H HIS A 6 -6.131 -7.508 -10.082 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.184 -7.213 -7.920 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.104 -9.357 -8.789 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.901 -9.616 -7.541 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -6.229 -9.521 -5.307 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.217 -6.471 -8.058 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.922 -7.975 -4.137 1.00 0.00 H new ATOM 102 N LEU A 7 -2.197 -7.984 -9.302 1.00 0.00 N ATOM 103 CA LEU A 7 -1.009 -8.488 -9.971 1.00 0.00 C ATOM 104 C LEU A 7 -0.362 -9.628 -9.195 1.00 0.00 C ATOM 105 O LEU A 7 -0.583 -9.802 -7.995 1.00 0.00 O ATOM 106 CB LEU A 7 0.019 -7.357 -10.108 1.00 0.00 C ATOM 107 CG LEU A 7 -0.431 -6.222 -11.033 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.497 -5.029 -10.801 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.369 -6.643 -12.502 1.00 0.00 C ATOM 0 H LEU A 7 -2.015 -7.175 -8.708 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.317 -8.860 -10.948 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.228 -6.947 -9.120 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.954 -7.772 -10.485 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.465 -5.963 -10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.199 -4.205 -11.449 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.432 -4.714 -9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.523 -5.317 -11.029 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.695 -5.815 -13.132 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.655 -6.914 -12.760 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.023 -7.500 -12.663 1.00 0.00 H new ATOM 121 N THR A 8 0.495 -10.362 -9.901 1.00 0.00 N ATOM 122 CA THR A 8 1.318 -11.435 -9.390 1.00 0.00 C ATOM 123 C THR A 8 2.698 -11.262 -10.027 1.00 0.00 C ATOM 124 O THR A 8 2.836 -10.521 -10.999 1.00 0.00 O ATOM 125 CB THR A 8 0.702 -12.798 -9.738 1.00 0.00 C ATOM 126 OG1 THR A 8 0.722 -13.005 -11.143 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.738 -12.922 -9.234 1.00 0.00 C ATOM 0 H THR A 8 0.635 -10.209 -10.900 1.00 0.00 H new ATOM 0 HA THR A 8 1.393 -11.400 -8.303 1.00 0.00 H new ATOM 0 HB THR A 8 1.306 -13.557 -9.240 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.576 -12.151 -11.602 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.134 -13.901 -9.502 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.755 -12.808 -8.150 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.351 -12.145 -9.690 1.00 0.00 H new ATOM 135 N ASP A 9 3.721 -11.940 -9.509 1.00 0.00 N ATOM 136 CA ASP A 9 5.073 -11.850 -10.041 1.00 0.00 C ATOM 137 C ASP A 9 5.083 -12.222 -11.527 1.00 0.00 C ATOM 138 O ASP A 9 5.697 -11.541 -12.341 1.00 0.00 O ATOM 139 CB ASP A 9 6.004 -12.751 -9.225 1.00 0.00 C ATOM 140 CG ASP A 9 7.461 -12.493 -9.589 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.004 -11.494 -9.066 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.005 -13.297 -10.376 1.00 0.00 O ATOM 0 H ASP A 9 3.632 -12.566 -8.709 1.00 0.00 H new ATOM 0 HA ASP A 9 5.434 -10.825 -9.959 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.853 -12.570 -8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.758 -13.797 -9.408 1.00 0.00 H new ATOM 147 N ASP A 10 4.367 -13.297 -11.867 1.00 0.00 N ATOM 148 CA ASP A 10 4.236 -13.791 -13.231 1.00 0.00 C ATOM 149 C ASP A 10 3.627 -12.745 -14.169 1.00 0.00 C ATOM 150 O ASP A 10 4.101 -12.566 -15.288 1.00 0.00 O ATOM 151 CB ASP A 10 3.387 -15.066 -13.225 1.00 0.00 C ATOM 152 CG ASP A 10 3.132 -15.575 -14.640 1.00 0.00 C ATOM 153 OD1 ASP A 10 4.039 -16.252 -15.172 1.00 0.00 O ATOM 154 OD2 ASP A 10 2.035 -15.277 -15.158 1.00 0.00 O ATOM 0 H ASP A 10 3.854 -13.856 -11.185 1.00 0.00 H new ATOM 0 HA ASP A 10 5.234 -14.011 -13.610 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.893 -15.838 -12.645 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.435 -14.868 -12.731 1.00 0.00 H new ATOM 159 N SER A 11 2.571 -12.057 -13.727 1.00 0.00 N ATOM 160 CA SER A 11 1.893 -11.074 -14.566 1.00 0.00 C ATOM 161 C SER A 11 2.671 -9.756 -14.605 1.00 0.00 C ATOM 162 O SER A 11 2.625 -9.043 -15.606 1.00 0.00 O ATOM 163 CB SER A 11 0.458 -10.869 -14.062 1.00 0.00 C ATOM 164 OG SER A 11 0.419 -10.700 -12.657 1.00 0.00 O ATOM 0 H SER A 11 2.170 -12.164 -12.795 1.00 0.00 H new ATOM 0 HA SER A 11 1.849 -11.448 -15.589 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.023 -9.995 -14.547 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.153 -11.727 -14.343 1.00 0.00 H new ATOM 0 HG SER A 11 -0.464 -10.367 -12.392 1.00 0.00 H new ATOM 170 N PHE A 12 3.372 -9.436 -13.515 1.00 0.00 N ATOM 171 CA PHE A 12 4.155 -8.225 -13.317 1.00 0.00 C ATOM 172 C PHE A 12 4.867 -7.730 -14.575 1.00 0.00 C ATOM 173 O PHE A 12 4.699 -6.582 -14.976 1.00 0.00 O ATOM 174 CB PHE A 12 5.177 -8.453 -12.200 1.00 0.00 C ATOM 175 CG PHE A 12 5.685 -7.159 -11.618 1.00 0.00 C ATOM 176 CD1 PHE A 12 4.908 -6.506 -10.650 1.00 0.00 C ATOM 177 CD2 PHE A 12 6.839 -6.544 -12.130 1.00 0.00 C ATOM 178 CE1 PHE A 12 5.343 -5.290 -10.107 1.00 0.00 C ATOM 179 CE2 PHE A 12 7.226 -5.285 -11.645 1.00 0.00 C ATOM 180 CZ PHE A 12 6.506 -4.682 -10.602 1.00 0.00 C ATOM 0 H PHE A 12 3.407 -10.053 -12.704 1.00 0.00 H new ATOM 0 HA PHE A 12 3.446 -7.443 -13.044 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.722 -9.050 -11.410 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.017 -9.028 -12.590 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.975 -6.940 -10.323 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.425 -7.037 -12.892 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.785 -4.822 -9.310 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.078 -4.780 -12.075 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.848 -3.749 -10.180 1.00 0.00 H new ATOM 190 N ASP A 13 5.693 -8.576 -15.191 1.00 0.00 N ATOM 191 CA ASP A 13 6.454 -8.196 -16.369 1.00 0.00 C ATOM 192 C ASP A 13 5.534 -7.647 -17.461 1.00 0.00 C ATOM 193 O ASP A 13 5.700 -6.521 -17.928 1.00 0.00 O ATOM 194 CB ASP A 13 7.264 -9.396 -16.862 1.00 0.00 C ATOM 195 CG ASP A 13 8.356 -9.788 -15.871 1.00 0.00 C ATOM 196 OD1 ASP A 13 7.985 -10.310 -14.798 1.00 0.00 O ATOM 197 OD2 ASP A 13 9.538 -9.541 -16.197 1.00 0.00 O ATOM 0 H ASP A 13 5.849 -9.537 -14.886 1.00 0.00 H new ATOM 0 HA ASP A 13 7.147 -7.396 -16.107 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.597 -10.243 -17.022 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.715 -9.159 -17.825 1.00 0.00 H new ATOM 202 N THR A 14 4.562 -8.454 -17.874 1.00 0.00 N ATOM 203 CA THR A 14 3.630 -8.115 -18.929 1.00 0.00 C ATOM 204 C THR A 14 2.780 -6.892 -18.586 1.00 0.00 C ATOM 205 O THR A 14 2.599 -6.004 -19.415 1.00 0.00 O ATOM 206 CB THR A 14 2.756 -9.349 -19.201 1.00 0.00 C ATOM 207 OG1 THR A 14 3.583 -10.498 -19.194 1.00 0.00 O ATOM 208 CG2 THR A 14 2.041 -9.248 -20.552 1.00 0.00 C ATOM 0 H THR A 14 4.402 -9.378 -17.473 1.00 0.00 H new ATOM 0 HA THR A 14 4.186 -7.841 -19.826 1.00 0.00 H new ATOM 0 HB THR A 14 1.994 -9.413 -18.424 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.038 -11.294 -19.365 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.433 -10.139 -20.709 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.401 -8.366 -20.560 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.780 -9.168 -21.350 1.00 0.00 H new ATOM 216 N ASP A 15 2.214 -6.866 -17.382 1.00 0.00 N ATOM 217 CA ASP A 15 1.301 -5.808 -16.981 1.00 0.00 C ATOM 218 C ASP A 15 2.022 -4.508 -16.641 1.00 0.00 C ATOM 219 O ASP A 15 1.619 -3.445 -17.102 1.00 0.00 O ATOM 220 CB ASP A 15 0.470 -6.270 -15.778 1.00 0.00 C ATOM 221 CG ASP A 15 -0.571 -7.325 -16.138 1.00 0.00 C ATOM 222 OD1 ASP A 15 -0.159 -8.408 -16.608 1.00 0.00 O ATOM 223 OD2 ASP A 15 -1.768 -7.037 -15.923 1.00 0.00 O ATOM 0 H ASP A 15 2.376 -7.573 -16.665 1.00 0.00 H new ATOM 0 HA ASP A 15 0.651 -5.603 -17.832 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.138 -6.672 -15.016 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.032 -5.408 -15.339 1.00 0.00 H new ATOM 228 N VAL A 16 3.042 -4.586 -15.785 1.00 0.00 N ATOM 229 CA VAL A 16 3.751 -3.431 -15.255 1.00 0.00 C ATOM 230 C VAL A 16 4.951 -3.040 -16.109 1.00 0.00 C ATOM 231 O VAL A 16 5.047 -1.894 -16.544 1.00 0.00 O ATOM 232 CB VAL A 16 4.171 -3.687 -13.795 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.774 -2.421 -13.178 1.00 0.00 C ATOM 234 CG2 VAL A 16 2.974 -4.116 -12.941 1.00 0.00 C ATOM 0 H VAL A 16 3.402 -5.474 -15.436 1.00 0.00 H new ATOM 0 HA VAL A 16 3.063 -2.586 -15.283 1.00 0.00 H new ATOM 0 HB VAL A 16 4.912 -4.486 -13.809 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.064 -2.622 -12.147 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.652 -2.120 -13.750 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.036 -1.619 -13.198 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.302 -4.289 -11.916 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.219 -3.330 -12.952 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.549 -5.034 -13.346 1.00 0.00 H new ATOM 244 N LEU A 17 5.896 -3.956 -16.331 1.00 0.00 N ATOM 245 CA LEU A 17 7.112 -3.578 -17.045 1.00 0.00 C ATOM 246 C LEU A 17 6.804 -3.224 -18.494 1.00 0.00 C ATOM 247 O LEU A 17 7.316 -2.233 -19.008 1.00 0.00 O ATOM 248 CB LEU A 17 8.230 -4.612 -16.874 1.00 0.00 C ATOM 249 CG LEU A 17 8.571 -4.845 -15.391 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.740 -5.829 -15.281 1.00 0.00 C ATOM 251 CD2 LEU A 17 8.947 -3.537 -14.678 1.00 0.00 C ATOM 0 H LEU A 17 5.846 -4.932 -16.038 1.00 0.00 H new ATOM 0 HA LEU A 17 7.508 -2.670 -16.591 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.926 -5.554 -17.330 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.121 -4.275 -17.403 1.00 0.00 H new ATOM 0 HG LEU A 17 7.683 -5.252 -14.908 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.980 -5.993 -14.230 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.462 -6.777 -15.742 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.611 -5.418 -15.792 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.180 -3.746 -13.634 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.818 -3.095 -15.163 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.110 -2.840 -14.730 1.00 0.00 H new ATOM 263 N LYS A 18 5.926 -3.991 -19.139 1.00 0.00 N ATOM 264 CA LYS A 18 5.485 -3.708 -20.498 1.00 0.00 C ATOM 265 C LYS A 18 4.199 -2.864 -20.470 1.00 0.00 C ATOM 266 O LYS A 18 3.378 -2.956 -21.381 1.00 0.00 O ATOM 267 CB LYS A 18 5.342 -5.038 -21.250 1.00 0.00 C ATOM 268 CG LYS A 18 6.713 -5.695 -21.482 1.00 0.00 C ATOM 269 CD LYS A 18 6.617 -7.216 -21.658 1.00 0.00 C ATOM 270 CE LYS A 18 5.632 -7.627 -22.758 1.00 0.00 C ATOM 271 NZ LYS A 18 5.574 -9.093 -22.897 1.00 0.00 N ATOM 0 H LYS A 18 5.502 -4.825 -18.732 1.00 0.00 H new ATOM 0 HA LYS A 18 6.218 -3.108 -21.038 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.703 -5.714 -20.681 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.851 -4.866 -22.208 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.175 -5.259 -22.368 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.366 -5.471 -20.639 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.604 -7.613 -21.894 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.310 -7.667 -20.715 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.640 -7.241 -22.525 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.933 -7.180 -23.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.900 -9.344 -23.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.517 -9.456 -23.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.264 -9.515 -21.998 1.00 0.00 H new ATOM 285 N ALA A 19 4.022 -2.021 -19.443 1.00 0.00 N ATOM 286 CA ALA A 19 2.862 -1.146 -19.346 1.00 0.00 C ATOM 287 C ALA A 19 2.899 -0.072 -20.433 1.00 0.00 C ATOM 288 O ALA A 19 3.968 0.294 -20.916 1.00 0.00 O ATOM 289 CB ALA A 19 2.831 -0.451 -17.982 1.00 0.00 C ATOM 0 H ALA A 19 4.677 -1.932 -18.666 1.00 0.00 H new ATOM 0 HA ALA A 19 1.973 -1.763 -19.472 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.958 0.200 -17.925 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.777 -1.201 -17.193 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.736 0.144 -17.856 1.00 0.00 H new ATOM 295 N ASP A 20 1.723 0.465 -20.764 1.00 0.00 N ATOM 296 CA ASP A 20 1.546 1.548 -21.723 1.00 0.00 C ATOM 297 C ASP A 20 0.641 2.601 -21.088 1.00 0.00 C ATOM 298 O ASP A 20 -0.411 2.953 -21.617 1.00 0.00 O ATOM 299 CB ASP A 20 0.977 0.980 -23.028 1.00 0.00 C ATOM 300 CG ASP A 20 0.779 2.039 -24.111 1.00 0.00 C ATOM 301 OD1 ASP A 20 1.574 3.005 -24.131 1.00 0.00 O ATOM 302 OD2 ASP A 20 -0.159 1.853 -24.915 1.00 0.00 O ATOM 0 H ASP A 20 0.843 0.146 -20.358 1.00 0.00 H new ATOM 0 HA ASP A 20 2.494 2.025 -21.973 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.648 0.207 -23.403 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.021 0.499 -22.821 1.00 0.00 H new ATOM 307 N GLY A 21 1.049 3.071 -19.911 1.00 0.00 N ATOM 308 CA GLY A 21 0.312 4.052 -19.133 1.00 0.00 C ATOM 309 C GLY A 21 0.829 4.094 -17.698 1.00 0.00 C ATOM 310 O GLY A 21 1.835 3.453 -17.383 1.00 0.00 O ATOM 0 H GLY A 21 1.918 2.772 -19.467 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.411 5.036 -19.590 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.749 3.804 -19.136 1.00 0.00 H new ATOM 314 N ALA A 22 0.138 4.853 -16.842 1.00 0.00 N ATOM 315 CA ALA A 22 0.443 5.028 -15.432 1.00 0.00 C ATOM 316 C ALA A 22 -0.244 3.936 -14.610 1.00 0.00 C ATOM 317 O ALA A 22 -1.473 3.901 -14.541 1.00 0.00 O ATOM 318 CB ALA A 22 -0.027 6.422 -15.002 1.00 0.00 C ATOM 0 H ALA A 22 -0.684 5.382 -17.133 1.00 0.00 H new ATOM 0 HA ALA A 22 1.517 4.944 -15.263 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.194 6.571 -13.945 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.491 7.179 -15.591 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.101 6.510 -15.164 1.00 0.00 H new ATOM 324 N ILE A 23 0.544 3.050 -13.994 1.00 0.00 N ATOM 325 CA ILE A 23 0.058 1.962 -13.164 1.00 0.00 C ATOM 326 C ILE A 23 0.483 2.198 -11.713 1.00 0.00 C ATOM 327 O ILE A 23 1.676 2.207 -11.413 1.00 0.00 O ATOM 328 CB ILE A 23 0.539 0.602 -13.702 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.291 0.507 -15.222 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.145 -0.527 -12.916 1.00 0.00 C ATOM 331 CD1 ILE A 23 0.195 -0.928 -15.743 1.00 0.00 C ATOM 0 H ILE A 23 1.561 3.077 -14.065 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.031 1.938 -13.196 1.00 0.00 H new ATOM 0 HB ILE A 23 1.614 0.500 -13.557 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.632 1.034 -15.464 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.098 1.020 -15.745 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.194 -1.491 -13.295 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.111 -0.442 -11.860 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.226 -0.450 -13.035 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.020 -0.914 -16.819 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.126 -1.454 -15.534 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.630 -1.440 -15.248 1.00 0.00 H new ATOM 343 N LEU A 24 -0.483 2.360 -10.806 1.00 0.00 N ATOM 344 CA LEU A 24 -0.222 2.532 -9.383 1.00 0.00 C ATOM 345 C LEU A 24 -0.203 1.137 -8.767 1.00 0.00 C ATOM 346 O LEU A 24 -1.260 0.592 -8.454 1.00 0.00 O ATOM 347 CB LEU A 24 -1.288 3.431 -8.745 1.00 0.00 C ATOM 348 CG LEU A 24 -1.056 3.681 -7.244 1.00 0.00 C ATOM 349 CD1 LEU A 24 0.044 4.729 -7.038 1.00 0.00 C ATOM 350 CD2 LEU A 24 -2.351 4.147 -6.571 1.00 0.00 C ATOM 0 H LEU A 24 -1.475 2.375 -11.045 1.00 0.00 H new ATOM 0 HA LEU A 24 0.733 3.027 -9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.306 4.388 -9.267 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.268 2.974 -8.883 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.739 2.743 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.195 4.893 -5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.973 4.375 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.252 5.665 -7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.168 4.319 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.690 5.073 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.118 3.381 -6.688 1.00 0.00 H new ATOM 362 N VAL A 25 0.988 0.564 -8.610 1.00 0.00 N ATOM 363 CA VAL A 25 1.169 -0.767 -8.057 1.00 0.00 C ATOM 364 C VAL A 25 1.312 -0.677 -6.542 1.00 0.00 C ATOM 365 O VAL A 25 2.342 -0.227 -6.042 1.00 0.00 O ATOM 366 CB VAL A 25 2.396 -1.451 -8.675 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.482 -2.889 -8.155 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.326 -1.480 -10.206 1.00 0.00 C ATOM 0 H VAL A 25 1.863 1.021 -8.868 1.00 0.00 H new ATOM 0 HA VAL A 25 0.293 -1.370 -8.297 1.00 0.00 H new ATOM 0 HB VAL A 25 3.278 -0.878 -8.388 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.352 -3.382 -8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.576 -2.878 -7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.579 -3.432 -8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.214 -1.973 -10.602 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.437 -2.028 -10.519 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.277 -0.460 -10.587 1.00 0.00 H new ATOM 378 N ASP A 26 0.298 -1.137 -5.812 1.00 0.00 N ATOM 379 CA ASP A 26 0.302 -1.180 -4.362 1.00 0.00 C ATOM 380 C ASP A 26 0.793 -2.558 -3.921 1.00 0.00 C ATOM 381 O ASP A 26 0.029 -3.519 -3.979 1.00 0.00 O ATOM 382 CB ASP A 26 -1.109 -0.908 -3.829 1.00 0.00 C ATOM 383 CG ASP A 26 -1.249 -1.332 -2.373 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.260 -1.903 -1.977 1.00 0.00 O ATOM 385 OD2 ASP A 26 -0.205 -1.083 -1.542 1.00 0.00 O ATOM 0 H ASP A 26 -0.563 -1.496 -6.225 1.00 0.00 H new ATOM 0 HA ASP A 26 0.966 -0.414 -3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.336 0.154 -3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.838 -1.444 -4.437 1.00 0.00 H new ATOM 391 N PHE A 27 2.027 -2.664 -3.433 1.00 0.00 N ATOM 392 CA PHE A 27 2.525 -3.926 -2.898 1.00 0.00 C ATOM 393 C PHE A 27 1.925 -4.018 -1.495 1.00 0.00 C ATOM 394 O PHE A 27 2.092 -3.076 -0.718 1.00 0.00 O ATOM 395 CB PHE A 27 4.060 -3.955 -2.855 1.00 0.00 C ATOM 396 CG PHE A 27 4.775 -4.051 -4.196 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.639 -3.034 -5.159 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.674 -5.109 -4.437 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.354 -3.101 -6.368 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.421 -5.151 -5.628 1.00 0.00 C ATOM 401 CZ PHE A 27 6.249 -4.155 -6.602 1.00 0.00 C ATOM 0 H PHE A 27 2.696 -1.895 -3.398 1.00 0.00 H new ATOM 0 HA PHE A 27 2.239 -4.773 -3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.404 -3.053 -2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.368 -4.802 -2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.982 -2.198 -4.969 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.790 -5.892 -3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.213 -2.338 -7.119 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.128 -5.951 -5.793 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.804 -4.200 -7.528 1.00 0.00 H new ATOM 411 N TRP A 28 1.195 -5.099 -1.187 1.00 0.00 N ATOM 412 CA TRP A 28 0.477 -5.276 0.074 1.00 0.00 C ATOM 413 C TRP A 28 0.603 -6.704 0.608 1.00 0.00 C ATOM 414 O TRP A 28 1.089 -7.590 -0.093 1.00 0.00 O ATOM 415 CB TRP A 28 -1.007 -4.951 -0.149 1.00 0.00 C ATOM 416 CG TRP A 28 -1.788 -5.932 -0.968 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.719 -6.057 -2.306 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.761 -6.925 -0.527 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.540 -7.081 -2.726 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.223 -7.641 -1.670 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.313 -7.286 0.719 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.172 -8.670 -1.581 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.276 -8.307 0.820 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.694 -9.009 -0.323 1.00 0.00 C ATOM 0 H TRP A 28 1.088 -5.889 -1.824 1.00 0.00 H new ATOM 0 HA TRP A 28 0.917 -4.604 0.811 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.487 -4.861 0.825 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.075 -3.975 -0.629 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.110 -5.445 -2.955 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.630 -7.385 -3.695 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.991 -6.770 1.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.496 -9.194 -2.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.697 -8.553 1.784 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.415 -9.808 -0.234 1.00 0.00 H new ATOM 435 N ALA A 29 0.111 -6.935 1.830 1.00 0.00 N ATOM 436 CA ALA A 29 0.064 -8.246 2.461 1.00 0.00 C ATOM 437 C ALA A 29 -1.190 -8.327 3.324 1.00 0.00 C ATOM 438 O ALA A 29 -1.618 -7.319 3.882 1.00 0.00 O ATOM 439 CB ALA A 29 1.300 -8.490 3.322 1.00 0.00 C ATOM 0 H ALA A 29 -0.273 -6.194 2.416 1.00 0.00 H new ATOM 0 HA ALA A 29 0.042 -9.011 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.235 -9.477 3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.193 -8.436 2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.355 -7.731 4.102 1.00 0.00 H new ATOM 445 N GLU A 30 -1.767 -9.525 3.439 1.00 0.00 N ATOM 446 CA GLU A 30 -2.990 -9.770 4.196 1.00 0.00 C ATOM 447 C GLU A 30 -2.871 -9.280 5.642 1.00 0.00 C ATOM 448 O GLU A 30 -3.719 -8.539 6.133 1.00 0.00 O ATOM 449 CB GLU A 30 -3.325 -11.267 4.117 1.00 0.00 C ATOM 450 CG GLU A 30 -4.706 -11.587 4.700 1.00 0.00 C ATOM 451 CD GLU A 30 -5.000 -13.081 4.611 1.00 0.00 C ATOM 452 OE1 GLU A 30 -4.421 -13.820 5.435 1.00 0.00 O ATOM 453 OE2 GLU A 30 -5.785 -13.452 3.712 1.00 0.00 O ATOM 0 H GLU A 30 -1.389 -10.364 3.000 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.808 -9.199 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.289 -11.590 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.566 -11.836 4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.750 -11.265 5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.471 -11.029 4.161 1.00 0.00 H new ATOM 460 N TRP A 31 -1.812 -9.712 6.324 1.00 0.00 N ATOM 461 CA TRP A 31 -1.550 -9.378 7.717 1.00 0.00 C ATOM 462 C TRP A 31 -1.229 -7.894 7.920 1.00 0.00 C ATOM 463 O TRP A 31 -1.366 -7.383 9.033 1.00 0.00 O ATOM 464 CB TRP A 31 -0.403 -10.259 8.229 1.00 0.00 C ATOM 465 CG TRP A 31 0.835 -10.250 7.381 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.124 -11.155 6.420 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.925 -9.278 7.355 1.00 0.00 C ATOM 468 NE1 TRP A 31 2.290 -10.796 5.782 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.834 -9.647 6.318 1.00 0.00 C ATOM 470 CE3 TRP A 31 2.233 -8.110 8.088 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.978 -8.893 6.015 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.382 -7.351 7.799 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.256 -7.743 6.770 1.00 0.00 C ATOM 0 H TRP A 31 -1.100 -10.316 5.913 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.457 -9.571 8.289 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -0.138 -9.934 9.235 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.762 -11.285 8.309 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.531 -12.027 6.188 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.702 -11.316 5.007 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.575 -7.794 8.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.635 -9.193 5.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.594 -6.460 8.372 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.141 -7.160 6.561 1.00 0.00 H new ATOM 484 N CYS A 32 -0.792 -7.182 6.876 1.00 0.00 N ATOM 485 CA CYS A 32 -0.406 -5.784 7.006 1.00 0.00 C ATOM 486 C CYS A 32 -1.636 -4.877 7.021 1.00 0.00 C ATOM 487 O CYS A 32 -1.866 -4.123 6.075 1.00 0.00 O ATOM 488 CB CYS A 32 0.582 -5.409 5.901 1.00 0.00 C ATOM 489 SG CYS A 32 1.157 -3.713 6.177 1.00 0.00 S ATOM 0 H CYS A 32 -0.699 -7.557 5.932 1.00 0.00 H new ATOM 0 HA CYS A 32 0.099 -5.639 7.961 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.427 -6.098 5.901 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.104 -5.491 4.925 1.00 0.00 H new ATOM 0 HG CYS A 32 0.133 -2.924 6.309 1.00 0.00 H new ATOM 495 N GLY A 33 -2.400 -4.952 8.115 1.00 0.00 N ATOM 496 CA GLY A 33 -3.621 -4.206 8.420 1.00 0.00 C ATOM 497 C GLY A 33 -3.878 -2.961 7.561 1.00 0.00 C ATOM 498 O GLY A 33 -4.851 -2.950 6.808 1.00 0.00 O ATOM 0 H GLY A 33 -2.158 -5.591 8.873 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.471 -4.879 8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.586 -3.901 9.466 1.00 0.00 H new ATOM 502 N PRO A 34 -3.036 -1.913 7.652 1.00 0.00 N ATOM 503 CA PRO A 34 -3.170 -0.673 6.888 1.00 0.00 C ATOM 504 C PRO A 34 -3.533 -0.858 5.407 1.00 0.00 C ATOM 505 O PRO A 34 -4.255 -0.039 4.841 1.00 0.00 O ATOM 506 CB PRO A 34 -1.835 0.052 7.062 1.00 0.00 C ATOM 507 CG PRO A 34 -1.410 -0.378 8.464 1.00 0.00 C ATOM 508 CD PRO A 34 -1.874 -1.832 8.527 1.00 0.00 C ATOM 0 HA PRO A 34 -4.015 -0.100 7.269 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.108 -0.248 6.307 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.947 1.134 6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.333 -0.291 8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.882 0.231 9.235 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.087 -2.509 8.196 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.131 -2.117 9.547 1.00 0.00 H new ATOM 516 N CYS A 35 -3.077 -1.945 4.782 1.00 0.00 N ATOM 517 CA CYS A 35 -3.404 -2.267 3.397 1.00 0.00 C ATOM 518 C CYS A 35 -4.923 -2.277 3.203 1.00 0.00 C ATOM 519 O CYS A 35 -5.446 -1.696 2.253 1.00 0.00 O ATOM 520 CB CYS A 35 -2.808 -3.621 2.995 1.00 0.00 C ATOM 521 SG CYS A 35 -0.998 -3.542 3.006 1.00 0.00 S ATOM 0 H CYS A 35 -2.466 -2.630 5.228 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.970 -1.501 2.755 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.149 -4.394 3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.160 -3.900 2.002 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.570 -3.559 4.234 1.00 0.00 H new ATOM 527 N LYS A 36 -5.643 -2.901 4.140 1.00 0.00 N ATOM 528 CA LYS A 36 -7.097 -2.969 4.118 1.00 0.00 C ATOM 529 C LYS A 36 -7.717 -1.588 4.338 1.00 0.00 C ATOM 530 O LYS A 36 -8.824 -1.339 3.867 1.00 0.00 O ATOM 531 CB LYS A 36 -7.592 -3.964 5.172 1.00 0.00 C ATOM 532 CG LYS A 36 -7.172 -5.399 4.826 1.00 0.00 C ATOM 533 CD LYS A 36 -7.566 -6.352 5.962 1.00 0.00 C ATOM 534 CE LYS A 36 -7.532 -7.815 5.505 1.00 0.00 C ATOM 535 NZ LYS A 36 -6.232 -8.186 4.921 1.00 0.00 N ATOM 0 H LYS A 36 -5.224 -3.376 4.940 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.411 -3.317 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.192 -3.691 6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.678 -3.909 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.648 -5.712 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.095 -5.442 4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.887 -6.217 6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.566 -6.104 6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.745 -8.464 6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.319 -7.983 4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.256 -9.183 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.039 -7.585 4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.482 -8.052 5.629 1.00 0.00 H new ATOM 549 N MET A 37 -7.013 -0.684 5.025 1.00 0.00 N ATOM 550 CA MET A 37 -7.499 0.666 5.260 1.00 0.00 C ATOM 551 C MET A 37 -7.383 1.475 3.970 1.00 0.00 C ATOM 552 O MET A 37 -8.314 2.193 3.609 1.00 0.00 O ATOM 553 CB MET A 37 -6.758 1.325 6.431 1.00 0.00 C ATOM 554 CG MET A 37 -6.815 0.481 7.713 1.00 0.00 C ATOM 555 SD MET A 37 -8.475 0.131 8.347 1.00 0.00 S ATOM 556 CE MET A 37 -8.051 -0.865 9.793 1.00 0.00 C ATOM 0 H MET A 37 -6.096 -0.872 5.429 1.00 0.00 H new ATOM 0 HA MET A 37 -8.550 0.630 5.546 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.717 1.487 6.153 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.192 2.306 6.626 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.310 -0.467 7.525 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.250 0.995 8.490 1.00 0.00 H new ATOM 0 HE1 MET A 37 -8.964 -1.168 10.306 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.501 -1.751 9.476 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.432 -0.277 10.471 1.00 0.00 H new ATOM 566 N ILE A 38 -6.257 1.359 3.254 1.00 0.00 N ATOM 567 CA ILE A 38 -6.101 2.078 1.993 1.00 0.00 C ATOM 568 C ILE A 38 -6.918 1.436 0.862 1.00 0.00 C ATOM 569 O ILE A 38 -7.323 2.143 -0.054 1.00 0.00 O ATOM 570 CB ILE A 38 -4.631 2.323 1.610 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.876 1.025 1.304 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.917 3.132 2.703 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.613 1.280 0.481 1.00 0.00 C ATOM 0 H ILE A 38 -5.458 0.785 3.523 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.520 3.071 2.154 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.634 2.904 0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.607 0.533 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.531 0.343 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.879 3.296 2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.415 4.094 2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.950 2.582 3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.108 0.334 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.884 1.748 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.945 1.940 1.034 1.00 0.00 H new ATOM 585 N ALA A 39 -7.162 0.119 0.896 1.00 0.00 N ATOM 586 CA ALA A 39 -7.937 -0.593 -0.124 1.00 0.00 C ATOM 587 C ALA A 39 -9.159 0.187 -0.657 1.00 0.00 C ATOM 588 O ALA A 39 -9.202 0.461 -1.857 1.00 0.00 O ATOM 589 CB ALA A 39 -8.303 -2.001 0.361 1.00 0.00 C ATOM 0 H ALA A 39 -6.822 -0.487 1.642 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.285 -0.688 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.878 -2.513 -0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.392 -2.563 0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.899 -1.929 1.271 1.00 0.00 H new ATOM 595 N PRO A 40 -10.143 0.582 0.172 1.00 0.00 N ATOM 596 CA PRO A 40 -11.285 1.357 -0.294 1.00 0.00 C ATOM 597 C PRO A 40 -10.840 2.654 -0.979 1.00 0.00 C ATOM 598 O PRO A 40 -11.389 3.016 -2.016 1.00 0.00 O ATOM 599 CB PRO A 40 -12.162 1.622 0.932 1.00 0.00 C ATOM 600 CG PRO A 40 -11.206 1.436 2.108 1.00 0.00 C ATOM 601 CD PRO A 40 -10.256 0.354 1.602 1.00 0.00 C ATOM 0 HA PRO A 40 -11.848 0.810 -1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.583 2.627 0.913 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.000 0.926 0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.677 2.358 2.349 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.731 1.124 3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.284 0.425 2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.646 -0.642 1.812 1.00 0.00 H new ATOM 609 N ILE A 41 -9.821 3.331 -0.440 1.00 0.00 N ATOM 610 CA ILE A 41 -9.288 4.543 -1.050 1.00 0.00 C ATOM 611 C ILE A 41 -8.814 4.195 -2.466 1.00 0.00 C ATOM 612 O ILE A 41 -9.175 4.872 -3.425 1.00 0.00 O ATOM 613 CB ILE A 41 -8.158 5.178 -0.213 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.522 5.255 1.282 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.868 6.583 -0.762 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.404 5.891 2.112 1.00 0.00 C ATOM 0 H ILE A 41 -9.350 3.055 0.422 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.075 5.296 -1.094 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.271 4.549 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.438 5.834 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.727 4.252 1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.071 7.044 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.559 6.510 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.768 7.194 -0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.703 5.925 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.495 5.298 2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.217 6.904 1.755 1.00 0.00 H new ATOM 628 N LEU A 42 -8.035 3.118 -2.604 1.00 0.00 N ATOM 629 CA LEU A 42 -7.560 2.658 -3.900 1.00 0.00 C ATOM 630 C LEU A 42 -8.744 2.380 -4.834 1.00 0.00 C ATOM 631 O LEU A 42 -8.705 2.782 -5.992 1.00 0.00 O ATOM 632 CB LEU A 42 -6.625 1.445 -3.752 1.00 0.00 C ATOM 633 CG LEU A 42 -5.265 1.780 -3.117 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.576 0.470 -2.723 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.345 2.536 -4.085 1.00 0.00 C ATOM 0 H LEU A 42 -7.720 2.547 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.966 3.449 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.122 0.688 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.457 1.006 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.446 2.418 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.609 0.689 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.198 -0.067 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.430 -0.146 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.397 2.751 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.165 1.924 -4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.819 3.471 -4.382 1.00 0.00 H new ATOM 647 N ASP A 43 -9.808 1.726 -4.351 1.00 0.00 N ATOM 648 CA ASP A 43 -10.995 1.472 -5.173 1.00 0.00 C ATOM 649 C ASP A 43 -11.610 2.795 -5.650 1.00 0.00 C ATOM 650 O ASP A 43 -11.905 2.965 -6.832 1.00 0.00 O ATOM 651 CB ASP A 43 -12.037 0.643 -4.410 1.00 0.00 C ATOM 652 CG ASP A 43 -11.584 -0.790 -4.139 1.00 0.00 C ATOM 653 OD1 ASP A 43 -11.426 -1.534 -5.130 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.427 -1.125 -2.946 1.00 0.00 O ATOM 0 H ASP A 43 -9.870 1.365 -3.399 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.681 0.896 -6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.258 1.133 -3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.965 0.622 -4.982 1.00 0.00 H new ATOM 659 N GLU A 44 -11.793 3.747 -4.729 1.00 0.00 N ATOM 660 CA GLU A 44 -12.355 5.055 -5.048 1.00 0.00 C ATOM 661 C GLU A 44 -11.502 5.719 -6.131 1.00 0.00 C ATOM 662 O GLU A 44 -12.012 6.136 -7.169 1.00 0.00 O ATOM 663 CB GLU A 44 -12.425 5.925 -3.790 1.00 0.00 C ATOM 664 CG GLU A 44 -13.428 5.392 -2.758 1.00 0.00 C ATOM 665 CD GLU A 44 -13.136 5.930 -1.359 1.00 0.00 C ATOM 666 OE1 GLU A 44 -12.844 7.143 -1.267 1.00 0.00 O ATOM 667 OE2 GLU A 44 -13.203 5.122 -0.407 1.00 0.00 O ATOM 0 H GLU A 44 -11.555 3.629 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.371 4.935 -5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.436 5.980 -3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.703 6.941 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.439 5.674 -3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.392 4.303 -2.744 1.00 0.00 H new ATOM 674 N ILE A 45 -10.193 5.786 -5.897 1.00 0.00 N ATOM 675 CA ILE A 45 -9.226 6.348 -6.827 1.00 0.00 C ATOM 676 C ILE A 45 -9.336 5.648 -8.184 1.00 0.00 C ATOM 677 O ILE A 45 -9.356 6.315 -9.219 1.00 0.00 O ATOM 678 CB ILE A 45 -7.828 6.244 -6.196 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.698 7.193 -4.988 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.684 6.455 -7.195 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.554 8.679 -5.328 1.00 0.00 C ATOM 0 H ILE A 45 -9.769 5.442 -5.035 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.426 7.403 -7.016 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.729 5.216 -5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.575 7.067 -4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.833 6.887 -4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.729 6.367 -6.678 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.743 5.701 -7.980 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.767 7.447 -7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.470 9.256 -4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.660 8.829 -5.933 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.430 9.011 -5.886 1.00 0.00 H new ATOM 693 N ALA A 46 -9.428 4.315 -8.189 1.00 0.00 N ATOM 694 CA ALA A 46 -9.571 3.533 -9.410 1.00 0.00 C ATOM 695 C ALA A 46 -10.784 4.016 -10.202 1.00 0.00 C ATOM 696 O ALA A 46 -10.704 4.151 -11.417 1.00 0.00 O ATOM 697 CB ALA A 46 -9.659 2.040 -9.090 1.00 0.00 C ATOM 0 H ALA A 46 -9.405 3.750 -7.340 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.686 3.678 -10.030 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.765 1.475 -10.016 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.752 1.724 -8.575 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.522 1.855 -8.451 1.00 0.00 H new ATOM 703 N ASP A 47 -11.897 4.304 -9.519 1.00 0.00 N ATOM 704 CA ASP A 47 -13.073 4.849 -10.184 1.00 0.00 C ATOM 705 C ASP A 47 -12.782 6.268 -10.689 1.00 0.00 C ATOM 706 O ASP A 47 -12.954 6.550 -11.875 1.00 0.00 O ATOM 707 CB ASP A 47 -14.291 4.814 -9.256 1.00 0.00 C ATOM 708 CG ASP A 47 -15.505 5.442 -9.935 1.00 0.00 C ATOM 709 OD1 ASP A 47 -16.176 4.710 -10.695 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.728 6.648 -9.695 1.00 0.00 O ATOM 0 H ASP A 47 -12.003 4.168 -8.514 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.311 4.227 -11.047 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.515 3.783 -8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.067 5.349 -8.333 1.00 0.00 H new ATOM 715 N GLU A 48 -12.346 7.158 -9.795 1.00 0.00 N ATOM 716 CA GLU A 48 -12.053 8.554 -10.111 1.00 0.00 C ATOM 717 C GLU A 48 -11.186 8.690 -11.365 1.00 0.00 C ATOM 718 O GLU A 48 -11.496 9.486 -12.250 1.00 0.00 O ATOM 719 CB GLU A 48 -11.361 9.220 -8.916 1.00 0.00 C ATOM 720 CG GLU A 48 -12.295 9.381 -7.710 1.00 0.00 C ATOM 721 CD GLU A 48 -11.507 9.728 -6.451 1.00 0.00 C ATOM 722 OE1 GLU A 48 -10.836 10.783 -6.468 1.00 0.00 O ATOM 723 OE2 GLU A 48 -11.580 8.928 -5.494 1.00 0.00 O ATOM 0 H GLU A 48 -12.185 6.923 -8.816 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.999 9.055 -10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.495 8.625 -8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.988 10.199 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.026 10.164 -7.913 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.853 8.458 -7.552 1.00 0.00 H new ATOM 730 N TYR A 49 -10.093 7.927 -11.432 1.00 0.00 N ATOM 731 CA TYR A 49 -9.153 7.960 -12.543 1.00 0.00 C ATOM 732 C TYR A 49 -9.338 6.754 -13.476 1.00 0.00 C ATOM 733 O TYR A 49 -8.373 6.322 -14.107 1.00 0.00 O ATOM 734 CB TYR A 49 -7.724 8.004 -11.981 1.00 0.00 C ATOM 735 CG TYR A 49 -7.353 9.254 -11.207 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.505 9.283 -9.810 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.689 10.314 -11.856 1.00 0.00 C ATOM 738 CE1 TYR A 49 -6.924 10.318 -9.056 1.00 0.00 C ATOM 739 CE2 TYR A 49 -6.147 11.371 -11.103 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.222 11.347 -9.703 1.00 0.00 C ATOM 741 OH TYR A 49 -5.582 12.309 -8.977 1.00 0.00 O ATOM 0 H TYR A 49 -9.837 7.261 -10.703 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.341 8.852 -13.140 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.585 7.142 -11.329 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.025 7.893 -12.810 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.070 8.508 -9.314 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.596 10.315 -12.932 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.018 10.321 -7.980 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.673 12.202 -11.604 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.146 12.942 -9.585 1.00 0.00 H new ATOM 751 N GLN A 50 -10.548 6.193 -13.584 1.00 0.00 N ATOM 752 CA GLN A 50 -10.764 5.034 -14.439 1.00 0.00 C ATOM 753 C GLN A 50 -10.312 5.313 -15.875 1.00 0.00 C ATOM 754 O GLN A 50 -10.697 6.317 -16.470 1.00 0.00 O ATOM 755 CB GLN A 50 -12.220 4.563 -14.350 1.00 0.00 C ATOM 756 CG GLN A 50 -13.248 5.534 -14.946 1.00 0.00 C ATOM 757 CD GLN A 50 -14.656 5.119 -14.537 1.00 0.00 C ATOM 758 OE1 GLN A 50 -15.347 4.417 -15.267 1.00 0.00 O ATOM 759 NE2 GLN A 50 -15.078 5.532 -13.347 1.00 0.00 N ATOM 0 H GLN A 50 -11.380 6.522 -13.094 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.144 4.212 -14.080 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.309 3.604 -14.860 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.468 4.391 -13.303 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -13.045 6.548 -14.602 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.164 5.543 -16.033 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.475 6.115 -12.766 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -16.005 5.266 -13.014 1.00 0.00 H new ATOM 768 N GLY A 51 -9.451 4.446 -16.416 1.00 0.00 N ATOM 769 CA GLY A 51 -8.904 4.599 -17.758 1.00 0.00 C ATOM 770 C GLY A 51 -7.739 5.594 -17.826 1.00 0.00 C ATOM 771 O GLY A 51 -7.033 5.623 -18.830 1.00 0.00 O ATOM 0 H GLY A 51 -9.115 3.615 -15.929 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.565 3.628 -18.118 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.696 4.930 -18.430 1.00 0.00 H new ATOM 775 N LYS A 52 -7.522 6.393 -16.777 1.00 0.00 N ATOM 776 CA LYS A 52 -6.451 7.379 -16.705 1.00 0.00 C ATOM 777 C LYS A 52 -5.290 6.808 -15.888 1.00 0.00 C ATOM 778 O LYS A 52 -4.131 6.942 -16.274 1.00 0.00 O ATOM 779 CB LYS A 52 -6.983 8.676 -16.074 1.00 0.00 C ATOM 780 CG LYS A 52 -8.249 9.187 -16.773 1.00 0.00 C ATOM 781 CD LYS A 52 -8.720 10.496 -16.127 1.00 0.00 C ATOM 782 CE LYS A 52 -10.051 10.940 -16.743 1.00 0.00 C ATOM 783 NZ LYS A 52 -10.556 12.165 -16.100 1.00 0.00 N ATOM 0 H LYS A 52 -8.102 6.368 -15.938 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.090 7.610 -17.707 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.198 8.503 -15.019 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.210 9.443 -16.120 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.049 9.347 -17.832 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.037 8.437 -16.708 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.836 10.358 -15.052 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.968 11.272 -16.270 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.920 11.115 -17.811 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.786 10.142 -16.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.458 12.441 -16.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.703 11.989 -15.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.864 12.931 -16.221 1.00 0.00 H new ATOM 797 N LEU A 53 -5.611 6.166 -14.759 1.00 0.00 N ATOM 798 CA LEU A 53 -4.654 5.545 -13.858 1.00 0.00 C ATOM 799 C LEU A 53 -5.063 4.089 -13.666 1.00 0.00 C ATOM 800 O LEU A 53 -6.190 3.814 -13.254 1.00 0.00 O ATOM 801 CB LEU A 53 -4.689 6.278 -12.512 1.00 0.00 C ATOM 802 CG LEU A 53 -3.677 5.750 -11.486 1.00 0.00 C ATOM 803 CD1 LEU A 53 -2.260 6.248 -11.792 1.00 0.00 C ATOM 804 CD2 LEU A 53 -4.109 6.226 -10.098 1.00 0.00 C ATOM 0 H LEU A 53 -6.576 6.065 -14.444 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.645 5.598 -14.266 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.499 7.338 -12.682 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.692 6.198 -12.092 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.658 4.661 -11.530 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.568 5.856 -11.047 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.960 5.905 -12.782 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.243 7.338 -11.765 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.403 5.861 -9.352 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.129 7.316 -10.077 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.104 5.841 -9.874 1.00 0.00 H new ATOM 816 N THR A 54 -4.150 3.155 -13.921 1.00 0.00 N ATOM 817 CA THR A 54 -4.414 1.745 -13.697 1.00 0.00 C ATOM 818 C THR A 54 -4.047 1.443 -12.245 1.00 0.00 C ATOM 819 O THR A 54 -2.872 1.307 -11.909 1.00 0.00 O ATOM 820 CB THR A 54 -3.615 0.903 -14.697 1.00 0.00 C ATOM 821 OG1 THR A 54 -3.932 1.311 -16.011 1.00 0.00 O ATOM 822 CG2 THR A 54 -3.909 -0.593 -14.563 1.00 0.00 C ATOM 0 H THR A 54 -3.218 3.355 -14.284 1.00 0.00 H new ATOM 0 HA THR A 54 -5.463 1.496 -13.856 1.00 0.00 H new ATOM 0 HB THR A 54 -2.558 1.060 -14.482 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.421 0.775 -16.652 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.319 -1.147 -15.293 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.649 -0.926 -13.558 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.969 -0.773 -14.742 1.00 0.00 H new ATOM 830 N VAL A 55 -5.041 1.343 -11.363 1.00 0.00 N ATOM 831 CA VAL A 55 -4.774 1.019 -9.972 1.00 0.00 C ATOM 832 C VAL A 55 -4.556 -0.489 -9.901 1.00 0.00 C ATOM 833 O VAL A 55 -5.329 -1.261 -10.469 1.00 0.00 O ATOM 834 CB VAL A 55 -5.931 1.497 -9.082 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.708 1.091 -7.621 1.00 0.00 C ATOM 836 CG2 VAL A 55 -6.035 3.025 -9.142 1.00 0.00 C ATOM 0 H VAL A 55 -6.026 1.481 -11.588 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.884 1.528 -9.601 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.846 1.034 -9.451 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.542 1.443 -7.014 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.641 0.005 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.782 1.536 -7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.857 3.359 -8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.103 3.467 -8.790 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.219 3.337 -10.170 1.00 0.00 H new ATOM 846 N ALA A 56 -3.487 -0.919 -9.233 1.00 0.00 N ATOM 847 CA ALA A 56 -3.146 -2.322 -9.125 1.00 0.00 C ATOM 848 C ALA A 56 -2.703 -2.645 -7.704 1.00 0.00 C ATOM 849 O ALA A 56 -2.173 -1.788 -7.002 1.00 0.00 O ATOM 850 CB ALA A 56 -2.057 -2.650 -10.147 1.00 0.00 C ATOM 0 H ALA A 56 -2.836 -0.297 -8.753 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.019 -2.939 -9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.794 -3.705 -10.072 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.424 -2.438 -11.151 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.175 -2.041 -9.947 1.00 0.00 H new ATOM 856 N LYS A 57 -2.913 -3.891 -7.282 1.00 0.00 N ATOM 857 CA LYS A 57 -2.518 -4.379 -5.970 1.00 0.00 C ATOM 858 C LYS A 57 -1.725 -5.662 -6.178 1.00 0.00 C ATOM 859 O LYS A 57 -2.126 -6.499 -6.979 1.00 0.00 O ATOM 860 CB LYS A 57 -3.746 -4.629 -5.087 1.00 0.00 C ATOM 861 CG LYS A 57 -4.433 -3.320 -4.682 1.00 0.00 C ATOM 862 CD LYS A 57 -5.603 -3.473 -3.692 1.00 0.00 C ATOM 863 CE LYS A 57 -6.471 -4.725 -3.840 1.00 0.00 C ATOM 864 NZ LYS A 57 -5.881 -5.890 -3.153 1.00 0.00 N ATOM 0 H LYS A 57 -3.371 -4.599 -7.856 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.907 -3.636 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.455 -5.261 -5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.445 -5.173 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.688 -2.659 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.802 -2.828 -5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.197 -3.459 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.247 -2.599 -3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.463 -4.529 -3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.599 -4.954 -4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.640 -6.489 -2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.313 -6.440 -3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.273 -5.563 -2.375 1.00 0.00 H new ATOM 878 N LEU A 58 -0.602 -5.820 -5.481 1.00 0.00 N ATOM 879 CA LEU A 58 0.253 -6.989 -5.587 1.00 0.00 C ATOM 880 C LEU A 58 0.443 -7.599 -4.203 1.00 0.00 C ATOM 881 O LEU A 58 1.038 -6.980 -3.323 1.00 0.00 O ATOM 882 CB LEU A 58 1.565 -6.575 -6.246 1.00 0.00 C ATOM 883 CG LEU A 58 2.461 -7.794 -6.535 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.253 -7.489 -7.799 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.442 -8.100 -5.397 1.00 0.00 C ATOM 0 H LEU A 58 -0.259 -5.125 -4.817 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.198 -7.759 -6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.355 -6.048 -7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.095 -5.878 -5.597 1.00 0.00 H new ATOM 0 HG LEU A 58 1.822 -8.670 -6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.901 -8.333 -8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.565 -7.317 -8.627 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.861 -6.598 -7.641 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.045 -8.969 -5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.094 -7.241 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.886 -8.308 -4.483 1.00 0.00 H new ATOM 897 N ASN A 59 -0.084 -8.809 -4.001 1.00 0.00 N ATOM 898 CA ASN A 59 0.022 -9.489 -2.720 1.00 0.00 C ATOM 899 C ASN A 59 1.408 -10.123 -2.584 1.00 0.00 C ATOM 900 O ASN A 59 1.702 -11.114 -3.260 1.00 0.00 O ATOM 901 CB ASN A 59 -1.072 -10.544 -2.571 1.00 0.00 C ATOM 902 CG ASN A 59 -0.881 -11.245 -1.234 1.00 0.00 C ATOM 903 OD1 ASN A 59 -0.185 -12.249 -1.168 1.00 0.00 O ATOM 904 ND2 ASN A 59 -1.442 -10.716 -0.151 1.00 0.00 N ATOM 0 H ASN A 59 -0.589 -9.335 -4.715 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.112 -8.757 -1.923 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.057 -10.079 -2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.019 -11.264 -3.388 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.296 -11.148 0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.018 -9.878 -0.233 1.00 0.00 H new ATOM 911 N ILE A 60 2.256 -9.568 -1.713 1.00 0.00 N ATOM 912 CA ILE A 60 3.607 -10.074 -1.515 1.00 0.00 C ATOM 913 C ILE A 60 3.633 -11.427 -0.799 1.00 0.00 C ATOM 914 O ILE A 60 4.608 -12.155 -0.937 1.00 0.00 O ATOM 915 CB ILE A 60 4.531 -9.044 -0.839 1.00 0.00 C ATOM 916 CG1 ILE A 60 4.166 -8.751 0.627 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.588 -7.749 -1.660 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.394 -8.310 1.427 1.00 0.00 C ATOM 0 H ILE A 60 2.023 -8.762 -1.132 1.00 0.00 H new ATOM 0 HA ILE A 60 4.010 -10.246 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 60 5.522 -9.497 -0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.405 -7.972 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.734 -9.642 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.246 -7.034 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.972 -7.967 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.587 -7.325 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.104 -8.110 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.144 -9.101 1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.810 -7.404 0.985 1.00 0.00 H new ATOM 930 N ASP A 61 2.586 -11.788 -0.044 1.00 0.00 N ATOM 931 CA ASP A 61 2.556 -13.083 0.642 1.00 0.00 C ATOM 932 C ASP A 61 2.699 -14.199 -0.391 1.00 0.00 C ATOM 933 O ASP A 61 3.503 -15.114 -0.232 1.00 0.00 O ATOM 934 CB ASP A 61 1.267 -13.291 1.455 1.00 0.00 C ATOM 935 CG ASP A 61 0.972 -12.161 2.430 1.00 0.00 C ATOM 936 OD1 ASP A 61 1.836 -11.932 3.303 1.00 0.00 O ATOM 937 OD2 ASP A 61 -0.112 -11.548 2.286 1.00 0.00 O ATOM 0 H ASP A 61 1.760 -11.209 0.105 1.00 0.00 H new ATOM 0 HA ASP A 61 3.386 -13.103 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.427 -13.395 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.344 -14.227 2.009 1.00 0.00 H new ATOM 942 N GLN A 62 1.903 -14.108 -1.456 1.00 0.00 N ATOM 943 CA GLN A 62 1.924 -15.044 -2.565 1.00 0.00 C ATOM 944 C GLN A 62 3.082 -14.721 -3.513 1.00 0.00 C ATOM 945 O GLN A 62 3.622 -15.624 -4.143 1.00 0.00 O ATOM 946 CB GLN A 62 0.580 -14.988 -3.307 1.00 0.00 C ATOM 947 CG GLN A 62 -0.630 -15.347 -2.431 1.00 0.00 C ATOM 948 CD GLN A 62 -0.609 -16.795 -1.949 1.00 0.00 C ATOM 949 OE1 GLN A 62 -1.258 -17.657 -2.533 1.00 0.00 O ATOM 950 NE2 GLN A 62 0.123 -17.078 -0.877 1.00 0.00 N ATOM 0 H GLN A 62 1.214 -13.364 -1.568 1.00 0.00 H new ATOM 0 HA GLN A 62 2.074 -16.054 -2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.440 -13.985 -3.710 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.616 -15.670 -4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.656 -14.683 -1.567 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.545 -15.171 -2.996 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.652 -16.341 -0.412 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.156 -18.033 -0.519 1.00 0.00 H new ATOM 959 N ASN A 63 3.448 -13.439 -3.636 1.00 0.00 N ATOM 960 CA ASN A 63 4.492 -12.982 -4.554 1.00 0.00 C ATOM 961 C ASN A 63 5.651 -12.307 -3.817 1.00 0.00 C ATOM 962 O ASN A 63 5.858 -11.105 -3.985 1.00 0.00 O ATOM 963 CB ASN A 63 3.872 -12.022 -5.575 1.00 0.00 C ATOM 964 CG ASN A 63 2.696 -12.665 -6.293 1.00 0.00 C ATOM 965 OD1 ASN A 63 2.870 -13.375 -7.277 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.483 -12.419 -5.814 1.00 0.00 N ATOM 0 H ASN A 63 3.023 -12.686 -3.096 1.00 0.00 H new ATOM 0 HA ASN A 63 4.907 -13.851 -5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.541 -11.115 -5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.627 -11.724 -6.303 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.664 -12.825 -6.267 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.370 -11.824 -4.993 1.00 0.00 H new ATOM 973 N PRO A 64 6.434 -13.043 -3.013 1.00 0.00 N ATOM 974 CA PRO A 64 7.534 -12.458 -2.270 1.00 0.00 C ATOM 975 C PRO A 64 8.592 -11.892 -3.215 1.00 0.00 C ATOM 976 O PRO A 64 9.046 -10.767 -3.023 1.00 0.00 O ATOM 977 CB PRO A 64 8.070 -13.577 -1.371 1.00 0.00 C ATOM 978 CG PRO A 64 7.632 -14.865 -2.072 1.00 0.00 C ATOM 979 CD PRO A 64 6.314 -14.465 -2.734 1.00 0.00 C ATOM 0 HA PRO A 64 7.218 -11.609 -1.664 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.154 -13.525 -1.275 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.657 -13.511 -0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.368 -15.196 -2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.496 -15.683 -1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.147 -15.032 -3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.468 -14.666 -2.077 1.00 0.00 H new ATOM 987 N GLY A 65 8.982 -12.669 -4.232 1.00 0.00 N ATOM 988 CA GLY A 65 10.003 -12.333 -5.219 1.00 0.00 C ATOM 989 C GLY A 65 9.968 -10.887 -5.721 1.00 0.00 C ATOM 990 O GLY A 65 11.016 -10.269 -5.901 1.00 0.00 O ATOM 0 H GLY A 65 8.573 -13.590 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.984 -12.527 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.894 -13.001 -6.073 1.00 0.00 H new ATOM 994 N THR A 66 8.779 -10.335 -5.968 1.00 0.00 N ATOM 995 CA THR A 66 8.649 -8.982 -6.482 1.00 0.00 C ATOM 996 C THR A 66 9.159 -7.921 -5.492 1.00 0.00 C ATOM 997 O THR A 66 9.592 -6.851 -5.914 1.00 0.00 O ATOM 998 CB THR A 66 7.195 -8.750 -6.929 1.00 0.00 C ATOM 999 OG1 THR A 66 6.598 -9.989 -7.269 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.140 -7.837 -8.158 1.00 0.00 C ATOM 0 H THR A 66 7.890 -10.813 -5.817 1.00 0.00 H new ATOM 0 HA THR A 66 9.295 -8.870 -7.353 1.00 0.00 H new ATOM 0 HB THR A 66 6.660 -8.279 -6.104 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.141 -10.437 -7.951 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.102 -7.688 -8.455 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.590 -6.874 -7.916 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.689 -8.298 -8.979 1.00 0.00 H new ATOM 1008 N ALA A 67 9.130 -8.196 -4.183 1.00 0.00 N ATOM 1009 CA ALA A 67 9.585 -7.247 -3.171 1.00 0.00 C ATOM 1010 C ALA A 67 11.056 -6.832 -3.352 1.00 0.00 C ATOM 1011 O ALA A 67 11.305 -5.649 -3.593 1.00 0.00 O ATOM 1012 CB ALA A 67 9.251 -7.750 -1.761 1.00 0.00 C ATOM 0 H ALA A 67 8.792 -9.079 -3.801 1.00 0.00 H new ATOM 0 HA ALA A 67 9.028 -6.321 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.600 -7.026 -1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.172 -7.874 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.743 -8.707 -1.590 1.00 0.00 H new ATOM 1018 N PRO A 68 12.045 -7.741 -3.253 1.00 0.00 N ATOM 1019 CA PRO A 68 13.443 -7.387 -3.440 1.00 0.00 C ATOM 1020 C PRO A 68 13.696 -6.828 -4.840 1.00 0.00 C ATOM 1021 O PRO A 68 14.480 -5.892 -4.972 1.00 0.00 O ATOM 1022 CB PRO A 68 14.254 -8.657 -3.167 1.00 0.00 C ATOM 1023 CG PRO A 68 13.255 -9.779 -3.431 1.00 0.00 C ATOM 1024 CD PRO A 68 11.939 -9.162 -2.966 1.00 0.00 C ATOM 0 HA PRO A 68 13.742 -6.593 -2.756 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.121 -8.729 -3.823 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.626 -8.683 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.224 -10.056 -4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.501 -10.682 -2.872 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.092 -9.605 -3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.780 -9.335 -1.902 1.00 0.00 H new ATOM 1032 N LYS A 69 13.028 -7.356 -5.878 1.00 0.00 N ATOM 1033 CA LYS A 69 13.194 -6.861 -7.245 1.00 0.00 C ATOM 1034 C LYS A 69 13.004 -5.342 -7.333 1.00 0.00 C ATOM 1035 O LYS A 69 13.643 -4.701 -8.166 1.00 0.00 O ATOM 1036 CB LYS A 69 12.257 -7.585 -8.223 1.00 0.00 C ATOM 1037 CG LYS A 69 12.702 -9.036 -8.454 1.00 0.00 C ATOM 1038 CD LYS A 69 11.707 -9.873 -9.277 1.00 0.00 C ATOM 1039 CE LYS A 69 11.703 -9.580 -10.785 1.00 0.00 C ATOM 1040 NZ LYS A 69 10.927 -8.378 -11.138 1.00 0.00 N ATOM 0 H LYS A 69 12.367 -8.128 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 69 14.221 -7.080 -7.536 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.240 -7.573 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.239 -7.052 -9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.666 -9.033 -8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.853 -9.517 -7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.933 -10.929 -9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.703 -9.704 -8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.730 -9.456 -11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.292 -10.439 -11.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.488 -8.510 -12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.185 -8.222 -10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.559 -7.553 -11.166 1.00 0.00 H new ATOM 1054 N TYR A 70 12.150 -4.765 -6.479 1.00 0.00 N ATOM 1055 CA TYR A 70 11.920 -3.325 -6.428 1.00 0.00 C ATOM 1056 C TYR A 70 12.300 -2.741 -5.068 1.00 0.00 C ATOM 1057 O TYR A 70 11.880 -1.637 -4.727 1.00 0.00 O ATOM 1058 CB TYR A 70 10.471 -3.034 -6.823 1.00 0.00 C ATOM 1059 CG TYR A 70 10.223 -3.345 -8.282 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.772 -2.505 -9.269 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.765 -4.626 -8.633 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.949 -2.980 -10.578 1.00 0.00 C ATOM 1063 CE2 TYR A 70 9.985 -5.117 -9.927 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.636 -4.318 -10.879 1.00 0.00 C ATOM 1065 OH TYR A 70 10.967 -4.853 -12.086 1.00 0.00 O ATOM 0 H TYR A 70 11.598 -5.292 -5.802 1.00 0.00 H new ATOM 0 HA TYR A 70 12.571 -2.826 -7.146 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.798 -3.627 -6.204 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.243 -1.986 -6.629 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.057 -1.494 -9.019 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.244 -5.232 -7.906 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.323 -2.323 -11.349 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.653 -6.110 -10.191 1.00 0.00 H new ATOM 0 HH TYR A 70 10.676 -5.788 -12.120 1.00 0.00 H new ATOM 1075 N GLY A 71 13.119 -3.465 -4.300 1.00 0.00 N ATOM 1076 CA GLY A 71 13.610 -3.046 -3.000 1.00 0.00 C ATOM 1077 C GLY A 71 12.513 -2.502 -2.086 1.00 0.00 C ATOM 1078 O GLY A 71 12.726 -1.486 -1.426 1.00 0.00 O ATOM 0 H GLY A 71 13.464 -4.383 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.093 -3.892 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.372 -2.279 -3.137 1.00 0.00 H new ATOM 1082 N ILE A 72 11.352 -3.168 -2.035 1.00 0.00 N ATOM 1083 CA ILE A 72 10.259 -2.753 -1.155 1.00 0.00 C ATOM 1084 C ILE A 72 10.786 -2.629 0.278 1.00 0.00 C ATOM 1085 O ILE A 72 11.260 -3.600 0.864 1.00 0.00 O ATOM 1086 CB ILE A 72 9.057 -3.715 -1.281 1.00 0.00 C ATOM 1087 CG1 ILE A 72 8.093 -3.278 -2.395 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.221 -3.812 0.006 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.745 -3.138 -3.770 1.00 0.00 C ATOM 0 H ILE A 72 11.148 -3.996 -2.594 1.00 0.00 H new ATOM 0 HA ILE A 72 9.888 -1.773 -1.455 1.00 0.00 H new ATOM 0 HB ILE A 72 9.507 -4.683 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.282 -4.003 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.646 -2.323 -2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.393 -4.503 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.848 -4.174 0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.829 -2.827 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.996 -2.827 -4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.537 -2.391 -3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.168 -4.096 -4.072 1.00 0.00 H new ATOM 1101 N ARG A 73 10.723 -1.411 0.819 1.00 0.00 N ATOM 1102 CA ARG A 73 11.216 -1.079 2.144 1.00 0.00 C ATOM 1103 C ARG A 73 10.215 -1.502 3.217 1.00 0.00 C ATOM 1104 O ARG A 73 10.590 -2.082 4.231 1.00 0.00 O ATOM 1105 CB ARG A 73 11.489 0.427 2.209 1.00 0.00 C ATOM 1106 CG ARG A 73 12.462 0.947 1.140 1.00 0.00 C ATOM 1107 CD ARG A 73 13.817 0.233 1.143 1.00 0.00 C ATOM 1108 NE ARG A 73 14.480 0.331 2.450 1.00 0.00 N ATOM 1109 CZ ARG A 73 15.605 -0.319 2.778 1.00 0.00 C ATOM 1110 NH1 ARG A 73 16.216 -1.102 1.883 1.00 0.00 N ATOM 1111 NH2 ARG A 73 16.113 -0.176 4.006 1.00 0.00 N ATOM 0 H ARG A 73 10.317 -0.613 0.331 1.00 0.00 H new ATOM 0 HA ARG A 73 12.143 -1.621 2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.543 0.959 2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.889 0.668 3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.003 0.834 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.623 2.014 1.295 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.676 -0.816 0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 73 14.459 0.667 0.376 1.00 0.00 H new ATOM 0 HE ARG A 73 14.056 0.934 3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.826 -1.206 0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 73 17.072 -1.595 2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.645 0.424 4.685 1.00 0.00 H new ATOM 0 HH22 ARG A 73 16.969 -0.667 4.264 1.00 0.00 H new ATOM 1125 N GLY A 74 8.935 -1.200 2.995 1.00 0.00 N ATOM 1126 CA GLY A 74 7.856 -1.527 3.908 1.00 0.00 C ATOM 1127 C GLY A 74 6.544 -1.387 3.148 1.00 0.00 C ATOM 1128 O GLY A 74 6.446 -0.550 2.251 1.00 0.00 O ATOM 0 H GLY A 74 8.620 -0.711 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.971 -2.542 4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.871 -0.861 4.771 1.00 0.00 H new ATOM 1132 N ILE A 75 5.555 -2.213 3.488 1.00 0.00 N ATOM 1133 CA ILE A 75 4.246 -2.224 2.844 1.00 0.00 C ATOM 1134 C ILE A 75 3.225 -1.466 3.709 1.00 0.00 C ATOM 1135 O ILE A 75 3.397 -1.412 4.927 1.00 0.00 O ATOM 1136 CB ILE A 75 3.814 -3.671 2.550 1.00 0.00 C ATOM 1137 CG1 ILE A 75 3.992 -4.585 3.771 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.604 -4.218 1.351 1.00 0.00 C ATOM 1139 CD1 ILE A 75 3.183 -5.867 3.609 1.00 0.00 C ATOM 0 H ILE A 75 5.645 -2.905 4.232 1.00 0.00 H new ATOM 0 HA ILE A 75 4.302 -1.706 1.887 1.00 0.00 H new ATOM 0 HB ILE A 75 2.751 -3.659 2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.047 -4.829 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.675 -4.061 4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.294 -5.243 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.410 -3.600 0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.670 -4.200 1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.324 -6.499 4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.126 -5.620 3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.519 -6.400 2.719 1.00 0.00 H new ATOM 1151 N PRO A 76 2.164 -0.881 3.123 1.00 0.00 N ATOM 1152 CA PRO A 76 1.861 -0.853 1.699 1.00 0.00 C ATOM 1153 C PRO A 76 2.878 0.017 0.952 1.00 0.00 C ATOM 1154 O PRO A 76 3.317 1.030 1.491 1.00 0.00 O ATOM 1155 CB PRO A 76 0.451 -0.266 1.588 1.00 0.00 C ATOM 1156 CG PRO A 76 0.323 0.600 2.840 1.00 0.00 C ATOM 1157 CD PRO A 76 1.147 -0.167 3.875 1.00 0.00 C ATOM 0 HA PRO A 76 1.913 -1.846 1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.333 0.324 0.679 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.308 -1.048 1.562 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.713 1.605 2.677 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.716 0.708 3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.600 0.513 4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.521 -0.858 4.439 1.00 0.00 H new ATOM 1165 N THR A 77 3.276 -0.389 -0.260 1.00 0.00 N ATOM 1166 CA THR A 77 4.242 0.365 -1.061 1.00 0.00 C ATOM 1167 C THR A 77 3.578 0.730 -2.388 1.00 0.00 C ATOM 1168 O THR A 77 3.342 -0.156 -3.209 1.00 0.00 O ATOM 1169 CB THR A 77 5.531 -0.439 -1.313 1.00 0.00 C ATOM 1170 OG1 THR A 77 5.793 -1.345 -0.264 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.711 0.532 -1.412 1.00 0.00 C ATOM 0 H THR A 77 2.940 -1.242 -0.708 1.00 0.00 H new ATOM 0 HA THR A 77 4.532 1.263 -0.515 1.00 0.00 H new ATOM 0 HB THR A 77 5.400 -1.002 -2.237 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.977 -0.847 0.560 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.629 -0.028 -1.590 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.543 1.226 -2.236 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.802 1.090 -0.480 1.00 0.00 H new ATOM 1179 N LEU A 78 3.272 2.010 -2.601 1.00 0.00 N ATOM 1180 CA LEU A 78 2.631 2.501 -3.811 1.00 0.00 C ATOM 1181 C LEU A 78 3.695 2.874 -4.846 1.00 0.00 C ATOM 1182 O LEU A 78 4.171 4.009 -4.842 1.00 0.00 O ATOM 1183 CB LEU A 78 1.758 3.727 -3.497 1.00 0.00 C ATOM 1184 CG LEU A 78 0.829 3.594 -2.287 1.00 0.00 C ATOM 1185 CD1 LEU A 78 -0.056 4.839 -2.226 1.00 0.00 C ATOM 1186 CD2 LEU A 78 -0.076 2.365 -2.366 1.00 0.00 C ATOM 0 H LEU A 78 3.468 2.745 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 78 1.995 1.713 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.413 4.583 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.151 3.951 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 78 1.453 3.487 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.727 4.767 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.570 5.725 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.642 4.914 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.712 2.324 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.699 2.429 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.536 1.465 -2.415 1.00 0.00 H new ATOM 1198 N LEU A 79 4.057 1.953 -5.740 1.00 0.00 N ATOM 1199 CA LEU A 79 5.005 2.219 -6.817 1.00 0.00 C ATOM 1200 C LEU A 79 4.204 2.679 -8.027 1.00 0.00 C ATOM 1201 O LEU A 79 3.414 1.912 -8.574 1.00 0.00 O ATOM 1202 CB LEU A 79 5.826 0.975 -7.178 1.00 0.00 C ATOM 1203 CG LEU A 79 7.030 0.752 -6.251 1.00 0.00 C ATOM 1204 CD1 LEU A 79 6.625 0.213 -4.879 1.00 0.00 C ATOM 1205 CD2 LEU A 79 8.025 -0.222 -6.886 1.00 0.00 C ATOM 0 H LEU A 79 3.698 0.998 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 79 5.713 2.983 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.180 0.098 -7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.179 1.067 -8.205 1.00 0.00 H new ATOM 0 HG LEU A 79 7.492 1.729 -6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.515 0.074 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.956 0.923 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.115 -0.743 -5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.871 -0.367 -6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.534 -1.179 -7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.379 0.186 -7.833 1.00 0.00 H new ATOM 1217 N LEU A 80 4.408 3.924 -8.455 1.00 0.00 N ATOM 1218 CA LEU A 80 3.705 4.476 -9.600 1.00 0.00 C ATOM 1219 C LEU A 80 4.559 4.241 -10.843 1.00 0.00 C ATOM 1220 O LEU A 80 5.471 5.011 -11.136 1.00 0.00 O ATOM 1221 CB LEU A 80 3.390 5.943 -9.309 1.00 0.00 C ATOM 1222 CG LEU A 80 2.555 6.654 -10.389 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.588 5.752 -11.167 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.706 7.713 -9.685 1.00 0.00 C ATOM 0 H LEU A 80 5.063 4.571 -8.017 1.00 0.00 H new ATOM 0 HA LEU A 80 2.748 3.989 -9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.857 6.004 -8.360 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.329 6.483 -9.182 1.00 0.00 H new ATOM 0 HG LEU A 80 3.267 7.049 -11.114 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.048 6.347 -11.903 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.150 4.969 -11.676 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.878 5.298 -10.476 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.098 8.240 -10.420 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.056 7.231 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.358 8.424 -9.177 1.00 0.00 H new ATOM 1236 N PHE A 81 4.261 3.161 -11.564 1.00 0.00 N ATOM 1237 CA PHE A 81 4.963 2.740 -12.765 1.00 0.00 C ATOM 1238 C PHE A 81 4.360 3.415 -13.992 1.00 0.00 C ATOM 1239 O PHE A 81 3.309 2.989 -14.467 1.00 0.00 O ATOM 1240 CB PHE A 81 4.857 1.216 -12.908 1.00 0.00 C ATOM 1241 CG PHE A 81 5.838 0.436 -12.055 1.00 0.00 C ATOM 1242 CD1 PHE A 81 5.483 0.021 -10.761 1.00 0.00 C ATOM 1243 CD2 PHE A 81 7.063 0.021 -12.610 1.00 0.00 C ATOM 1244 CE1 PHE A 81 6.335 -0.837 -10.043 1.00 0.00 C ATOM 1245 CE2 PHE A 81 7.915 -0.831 -11.890 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.564 -1.233 -10.592 1.00 0.00 C ATOM 0 H PHE A 81 3.495 2.535 -11.314 1.00 0.00 H new ATOM 0 HA PHE A 81 6.011 3.029 -12.686 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.844 0.909 -12.648 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.012 0.950 -13.954 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.558 0.360 -10.318 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.349 0.360 -13.595 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.042 -1.192 -9.066 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.837 -1.176 -12.333 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.240 -1.847 -10.016 1.00 0.00 H new ATOM 1256 N LYS A 82 5.037 4.421 -14.544 1.00 0.00 N ATOM 1257 CA LYS A 82 4.633 5.063 -15.782 1.00 0.00 C ATOM 1258 C LYS A 82 5.379 4.359 -16.912 1.00 0.00 C ATOM 1259 O LYS A 82 6.592 4.501 -17.034 1.00 0.00 O ATOM 1260 CB LYS A 82 4.920 6.568 -15.742 1.00 0.00 C ATOM 1261 CG LYS A 82 3.992 7.273 -14.743 1.00 0.00 C ATOM 1262 CD LYS A 82 4.177 8.798 -14.756 1.00 0.00 C ATOM 1263 CE LYS A 82 3.522 9.453 -15.978 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.717 10.914 -15.973 1.00 0.00 N ATOM 0 H LYS A 82 5.887 4.812 -14.137 1.00 0.00 H new ATOM 0 HA LYS A 82 3.558 4.975 -15.938 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.960 6.737 -15.462 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.784 6.995 -16.736 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.956 7.032 -14.980 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.186 6.894 -13.740 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.750 9.221 -13.847 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.241 9.033 -14.747 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.945 9.031 -16.890 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.456 9.227 -15.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.113 11.347 -16.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.463 11.295 -15.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.713 11.132 -16.176 1.00 0.00 H new ATOM 1278 N ASN A 83 4.658 3.572 -17.715 1.00 0.00 N ATOM 1279 CA ASN A 83 5.221 2.826 -18.838 1.00 0.00 C ATOM 1280 C ASN A 83 6.460 2.035 -18.395 1.00 0.00 C ATOM 1281 O ASN A 83 7.528 2.121 -18.999 1.00 0.00 O ATOM 1282 CB ASN A 83 5.502 3.788 -20.005 1.00 0.00 C ATOM 1283 CG ASN A 83 5.614 3.075 -21.354 1.00 0.00 C ATOM 1284 OD1 ASN A 83 4.775 3.270 -22.224 1.00 0.00 O ATOM 1285 ND2 ASN A 83 6.650 2.270 -21.556 1.00 0.00 N ATOM 0 H ASN A 83 3.654 3.435 -17.600 1.00 0.00 H new ATOM 0 HA ASN A 83 4.502 2.088 -19.193 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.705 4.530 -20.057 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.428 4.329 -19.808 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.761 1.797 -22.453 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.335 2.125 -20.814 1.00 0.00 H new ATOM 1292 N GLY A 84 6.325 1.274 -17.305 1.00 0.00 N ATOM 1293 CA GLY A 84 7.408 0.462 -16.770 1.00 0.00 C ATOM 1294 C GLY A 84 8.431 1.236 -15.935 1.00 0.00 C ATOM 1295 O GLY A 84 9.208 0.609 -15.217 1.00 0.00 O ATOM 0 H GLY A 84 5.458 1.207 -16.772 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.981 -0.330 -16.155 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.926 -0.022 -17.598 1.00 0.00 H new ATOM 1299 N GLU A 85 8.448 2.572 -15.984 1.00 0.00 N ATOM 1300 CA GLU A 85 9.391 3.373 -15.218 1.00 0.00 C ATOM 1301 C GLU A 85 8.758 3.814 -13.902 1.00 0.00 C ATOM 1302 O GLU A 85 7.735 4.498 -13.907 1.00 0.00 O ATOM 1303 CB GLU A 85 9.822 4.594 -16.039 1.00 0.00 C ATOM 1304 CG GLU A 85 10.565 4.162 -17.307 1.00 0.00 C ATOM 1305 CD GLU A 85 10.898 5.360 -18.188 1.00 0.00 C ATOM 1306 OE1 GLU A 85 11.900 6.034 -17.869 1.00 0.00 O ATOM 1307 OE2 GLU A 85 10.140 5.587 -19.157 1.00 0.00 O ATOM 0 H GLU A 85 7.807 3.122 -16.556 1.00 0.00 H new ATOM 0 HA GLU A 85 10.271 2.771 -14.994 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.946 5.184 -16.309 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.465 5.235 -15.436 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.483 3.642 -17.034 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.953 3.455 -17.867 1.00 0.00 H new ATOM 1314 N VAL A 86 9.371 3.449 -12.774 1.00 0.00 N ATOM 1315 CA VAL A 86 8.911 3.890 -11.462 1.00 0.00 C ATOM 1316 C VAL A 86 9.071 5.414 -11.400 1.00 0.00 C ATOM 1317 O VAL A 86 10.185 5.915 -11.266 1.00 0.00 O ATOM 1318 CB VAL A 86 9.696 3.186 -10.338 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.276 3.707 -8.958 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.439 1.675 -10.355 1.00 0.00 C ATOM 0 H VAL A 86 10.192 2.845 -12.747 1.00 0.00 H new ATOM 0 HA VAL A 86 7.864 3.626 -11.316 1.00 0.00 H new ATOM 0 HB VAL A 86 10.751 3.396 -10.515 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.847 3.192 -8.185 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.470 4.778 -8.899 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.212 3.522 -8.807 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.004 1.201 -9.553 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.375 1.485 -10.211 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.755 1.263 -11.314 1.00 0.00 H new ATOM 1330 N ALA A 87 7.964 6.147 -11.507 1.00 0.00 N ATOM 1331 CA ALA A 87 7.949 7.602 -11.479 1.00 0.00 C ATOM 1332 C ALA A 87 8.054 8.093 -10.037 1.00 0.00 C ATOM 1333 O ALA A 87 8.738 9.077 -9.763 1.00 0.00 O ATOM 1334 CB ALA A 87 6.663 8.103 -12.139 1.00 0.00 C ATOM 0 H ALA A 87 7.037 5.735 -11.617 1.00 0.00 H new ATOM 0 HA ALA A 87 8.802 7.995 -12.032 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.646 9.193 -12.121 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.625 7.756 -13.172 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.801 7.717 -11.595 1.00 0.00 H new ATOM 1340 N ALA A 88 7.398 7.391 -9.110 1.00 0.00 N ATOM 1341 CA ALA A 88 7.434 7.698 -7.692 1.00 0.00 C ATOM 1342 C ALA A 88 7.126 6.431 -6.905 1.00 0.00 C ATOM 1343 O ALA A 88 6.676 5.428 -7.467 1.00 0.00 O ATOM 1344 CB ALA A 88 6.446 8.818 -7.359 1.00 0.00 C ATOM 0 H ALA A 88 6.820 6.582 -9.335 1.00 0.00 H new ATOM 0 HA ALA A 88 8.427 8.052 -7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.487 9.034 -6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.709 9.714 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.437 8.505 -7.627 1.00 0.00 H new ATOM 1350 N THR A 89 7.394 6.461 -5.600 1.00 0.00 N ATOM 1351 CA THR A 89 7.195 5.331 -4.713 1.00 0.00 C ATOM 1352 C THR A 89 6.816 5.847 -3.330 1.00 0.00 C ATOM 1353 O THR A 89 7.609 6.553 -2.712 1.00 0.00 O ATOM 1354 CB THR A 89 8.471 4.479 -4.692 1.00 0.00 C ATOM 1355 OG1 THR A 89 8.692 3.961 -5.987 1.00 0.00 O ATOM 1356 CG2 THR A 89 8.364 3.308 -3.712 1.00 0.00 C ATOM 0 H THR A 89 7.761 7.288 -5.128 1.00 0.00 H new ATOM 0 HA THR A 89 6.381 4.695 -5.063 1.00 0.00 H new ATOM 0 HB THR A 89 9.295 5.117 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.506 3.416 -5.987 1.00 0.00 H new ATOM 0 HG21 THR A 89 9.289 2.732 -3.730 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.194 3.690 -2.705 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.532 2.666 -4.001 1.00 0.00 H new ATOM 1364 N LYS A 90 5.618 5.504 -2.848 1.00 0.00 N ATOM 1365 CA LYS A 90 5.150 5.902 -1.528 1.00 0.00 C ATOM 1366 C LYS A 90 5.236 4.687 -0.615 1.00 0.00 C ATOM 1367 O LYS A 90 4.492 3.728 -0.793 1.00 0.00 O ATOM 1368 CB LYS A 90 3.735 6.495 -1.598 1.00 0.00 C ATOM 1369 CG LYS A 90 3.457 7.458 -0.438 1.00 0.00 C ATOM 1370 CD LYS A 90 3.139 6.714 0.866 1.00 0.00 C ATOM 1371 CE LYS A 90 3.169 7.632 2.090 1.00 0.00 C ATOM 1372 NZ LYS A 90 4.552 7.885 2.532 1.00 0.00 N ATOM 0 H LYS A 90 4.947 4.940 -3.369 1.00 0.00 H new ATOM 0 HA LYS A 90 5.778 6.694 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.609 7.021 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.003 5.688 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.324 8.101 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.620 8.106 -0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.154 6.253 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.858 5.907 1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.682 8.577 1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.602 7.178 2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.542 8.510 3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.007 6.984 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.084 8.340 1.763 1.00 0.00 H new ATOM 1386 N VAL A 91 6.132 4.735 0.370 1.00 0.00 N ATOM 1387 CA VAL A 91 6.302 3.687 1.360 1.00 0.00 C ATOM 1388 C VAL A 91 5.381 4.011 2.540 1.00 0.00 C ATOM 1389 O VAL A 91 5.472 5.104 3.097 1.00 0.00 O ATOM 1390 CB VAL A 91 7.776 3.646 1.803 1.00 0.00 C ATOM 1391 CG1 VAL A 91 8.031 2.518 2.811 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.736 3.478 0.617 1.00 0.00 C ATOM 0 H VAL A 91 6.769 5.521 0.500 1.00 0.00 H new ATOM 0 HA VAL A 91 6.044 2.709 0.954 1.00 0.00 H new ATOM 0 HB VAL A 91 7.971 4.608 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.082 2.520 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.411 2.672 3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.782 1.560 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.763 3.455 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.514 2.546 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.614 4.314 -0.071 1.00 0.00 H new ATOM 1402 N GLY A 92 4.496 3.082 2.912 1.00 0.00 N ATOM 1403 CA GLY A 92 3.575 3.242 4.026 1.00 0.00 C ATOM 1404 C GLY A 92 2.210 3.763 3.578 1.00 0.00 C ATOM 1405 O GLY A 92 2.030 4.194 2.440 1.00 0.00 O ATOM 0 H GLY A 92 4.403 2.185 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.448 2.284 4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.004 3.931 4.753 1.00 0.00 H new ATOM 1409 N ALA A 93 1.235 3.712 4.492 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.118 4.186 4.238 1.00 0.00 C ATOM 1411 C ALA A 93 -0.131 5.712 4.119 1.00 0.00 C ATOM 1412 O ALA A 93 0.837 6.379 4.479 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.050 3.701 5.350 1.00 0.00 C ATOM 0 H ALA A 93 1.369 3.338 5.431 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.476 3.779 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.062 4.057 5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.048 2.611 5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.705 4.089 6.309 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.233 6.270 3.611 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.384 7.699 3.387 1.00 0.00 C ATOM 1421 C LEU A 94 -2.865 8.071 3.390 1.00 0.00 C ATOM 1422 O LEU A 94 -3.723 7.190 3.386 1.00 0.00 O ATOM 1423 CB LEU A 94 -0.689 8.086 2.071 1.00 0.00 C ATOM 1424 CG LEU A 94 -1.422 7.693 0.774 1.00 0.00 C ATOM 1425 CD1 LEU A 94 -0.478 7.946 -0.406 1.00 0.00 C ATOM 1426 CD2 LEU A 94 -1.881 6.231 0.704 1.00 0.00 C ATOM 0 H LEU A 94 -2.054 5.728 3.342 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.908 8.259 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.540 9.166 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.300 7.628 2.058 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.326 8.301 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.977 7.674 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.206 9.001 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.422 7.343 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.386 6.053 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.015 5.574 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.569 6.026 1.524 1.00 0.00 H new ATOM 1438 N SER A 95 -3.163 9.371 3.388 1.00 0.00 N ATOM 1439 CA SER A 95 -4.528 9.867 3.343 1.00 0.00 C ATOM 1440 C SER A 95 -4.978 9.956 1.885 1.00 0.00 C ATOM 1441 O SER A 95 -4.150 9.997 0.971 1.00 0.00 O ATOM 1442 CB SER A 95 -4.581 11.254 3.994 1.00 0.00 C ATOM 1443 OG SER A 95 -3.913 12.189 3.164 1.00 0.00 O ATOM 0 H SER A 95 -2.458 10.107 3.418 1.00 0.00 H new ATOM 0 HA SER A 95 -5.191 9.192 3.884 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.617 11.559 4.143 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.112 11.224 4.978 1.00 0.00 H new ATOM 0 HG SER A 95 -3.226 12.656 3.684 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.291 10.049 1.659 1.00 0.00 N ATOM 1450 CA LYS A 96 -6.797 10.241 0.311 1.00 0.00 C ATOM 1451 C LYS A 96 -6.210 11.537 -0.260 1.00 0.00 C ATOM 1452 O LYS A 96 -5.833 11.576 -1.424 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.331 10.235 0.303 1.00 0.00 C ATOM 1454 CG LYS A 96 -8.853 10.201 -1.140 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.366 9.969 -1.177 1.00 0.00 C ATOM 1456 CE LYS A 96 -10.820 9.810 -2.631 1.00 0.00 C ATOM 1457 NZ LYS A 96 -12.270 9.573 -2.721 1.00 0.00 N ATOM 0 H LYS A 96 -7.007 9.995 2.383 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.484 9.416 -0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.701 9.369 0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.708 11.121 0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.614 11.141 -1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.348 9.410 -1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.623 9.078 -0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.885 10.807 -0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.561 10.707 -3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.285 8.979 -3.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.530 9.386 -3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.525 8.753 -2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.781 10.413 -2.382 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.093 12.581 0.568 1.00 0.00 N ATOM 1472 CA GLY A 97 -5.502 13.850 0.169 1.00 0.00 C ATOM 1473 C GLY A 97 -4.077 13.640 -0.348 1.00 0.00 C ATOM 1474 O GLY A 97 -3.772 13.999 -1.485 1.00 0.00 O ATOM 0 H GLY A 97 -6.409 12.563 1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.112 14.314 -0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.490 14.535 1.017 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.215 13.032 0.478 1.00 0.00 N ATOM 1479 CA GLN A 98 -1.839 12.739 0.097 1.00 0.00 C ATOM 1480 C GLN A 98 -1.810 11.940 -1.209 1.00 0.00 C ATOM 1481 O GLN A 98 -1.049 12.265 -2.121 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.101 12.014 1.229 1.00 0.00 C ATOM 1483 CG GLN A 98 -0.388 12.970 2.200 1.00 0.00 C ATOM 1484 CD GLN A 98 -1.294 14.048 2.792 1.00 0.00 C ATOM 1485 OE1 GLN A 98 -1.932 13.838 3.818 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -1.350 15.219 2.165 1.00 0.00 N ATOM 0 H GLN A 98 -3.456 12.733 1.423 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.314 13.678 -0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.813 11.405 1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.368 11.332 0.798 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.045 12.388 3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.438 13.452 1.677 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.809 15.368 1.313 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.934 15.969 2.536 1.00 0.00 H new ATOM 1495 N LEU A 99 -2.647 10.905 -1.307 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.707 10.095 -2.511 1.00 0.00 C ATOM 1497 C LEU A 99 -3.073 10.954 -3.726 1.00 0.00 C ATOM 1498 O LEU A 99 -2.378 10.912 -4.738 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.652 8.905 -2.297 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.754 7.934 -3.486 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.400 7.468 -4.034 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.524 6.692 -3.020 1.00 0.00 C ATOM 0 H LEU A 99 -3.287 10.614 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.722 9.680 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.319 8.349 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.648 9.287 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.254 8.474 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.561 6.787 -4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.829 8.332 -4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.847 6.954 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.610 5.986 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.990 6.221 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.520 6.985 -2.687 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.135 11.757 -3.637 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.553 12.631 -4.725 1.00 0.00 C ATOM 1516 C LYS A 100 -3.408 13.538 -5.182 1.00 0.00 C ATOM 1517 O LYS A 100 -3.150 13.621 -6.384 1.00 0.00 O ATOM 1518 CB LYS A 100 -5.781 13.461 -4.321 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.080 12.643 -4.225 1.00 0.00 C ATOM 1520 CD LYS A 100 -7.621 12.118 -5.563 1.00 0.00 C ATOM 1521 CE LYS A 100 -7.935 13.201 -6.604 1.00 0.00 C ATOM 1522 NZ LYS A 100 -8.917 14.177 -6.100 1.00 0.00 N ATOM 0 H LYS A 100 -4.726 11.817 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.832 11.999 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.588 13.933 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.920 14.263 -5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.908 11.795 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.847 13.262 -3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.892 11.428 -5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.528 11.545 -5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.016 13.719 -6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.320 12.733 -7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.128 14.873 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.791 13.682 -5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.526 14.666 -5.270 1.00 0.00 H new ATOM 1536 N GLU A 101 -2.713 14.212 -4.255 1.00 0.00 N ATOM 1537 CA GLU A 101 -1.624 15.096 -4.670 1.00 0.00 C ATOM 1538 C GLU A 101 -0.477 14.299 -5.290 1.00 0.00 C ATOM 1539 O GLU A 101 0.049 14.690 -6.329 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.173 16.068 -3.569 1.00 0.00 C ATOM 1541 CG GLU A 101 -0.700 15.404 -2.273 1.00 0.00 C ATOM 1542 CD GLU A 101 -0.252 16.403 -1.211 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -0.251 17.616 -1.509 1.00 0.00 O ATOM 1544 OE2 GLU A 101 0.080 15.925 -0.104 1.00 0.00 O ATOM 0 H GLU A 101 -2.879 14.164 -3.250 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.018 15.745 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.364 16.685 -3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.001 16.738 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.508 14.794 -1.870 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.126 14.730 -2.499 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.108 13.170 -4.677 1.00 0.00 N ATOM 1552 CA PHE A 102 0.930 12.282 -5.195 1.00 0.00 C ATOM 1553 C PHE A 102 0.610 11.914 -6.649 1.00 0.00 C ATOM 1554 O PHE A 102 1.439 12.079 -7.546 1.00 0.00 O ATOM 1555 CB PHE A 102 1.027 11.042 -4.294 1.00 0.00 C ATOM 1556 CG PHE A 102 1.962 9.947 -4.776 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.307 9.933 -4.361 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.454 8.870 -5.526 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.126 8.828 -4.658 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.276 7.771 -5.831 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.608 7.742 -5.385 1.00 0.00 C ATOM 0 H PHE A 102 -0.525 12.848 -3.804 1.00 0.00 H new ATOM 0 HA PHE A 102 1.900 12.780 -5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.351 11.360 -3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.029 10.618 -4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.711 10.772 -3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.430 8.888 -5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.154 8.814 -4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.883 6.948 -6.409 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.232 6.887 -5.600 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.612 11.432 -6.883 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.069 11.060 -8.211 1.00 0.00 C ATOM 1573 C LEU A 103 -0.992 12.254 -9.149 1.00 0.00 C ATOM 1574 O LEU A 103 -0.354 12.157 -10.192 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.499 10.517 -8.158 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.582 9.166 -7.444 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -4.050 8.794 -7.261 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.831 8.071 -8.202 1.00 0.00 C ATOM 0 H LEU A 103 -1.309 11.291 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.417 10.273 -8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.139 11.236 -7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.884 10.413 -9.173 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.100 9.255 -6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.121 7.832 -6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.547 9.558 -6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.532 8.726 -8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.916 7.129 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.261 7.957 -9.197 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.780 8.345 -8.290 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.625 13.373 -8.793 1.00 0.00 N ATOM 1591 CA ASP A 104 -1.619 14.569 -9.625 1.00 0.00 C ATOM 1592 C ASP A 104 -0.194 14.954 -10.027 1.00 0.00 C ATOM 1593 O ASP A 104 0.082 15.152 -11.207 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.321 15.719 -8.898 1.00 0.00 C ATOM 1595 CG ASP A 104 -2.301 16.986 -9.744 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.152 17.075 -10.653 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -1.429 17.840 -9.468 1.00 0.00 O ATOM 0 H ASP A 104 -2.152 13.472 -7.925 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.168 14.356 -10.542 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.351 15.440 -8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.829 15.906 -7.943 1.00 0.00 H new ATOM 1602 N ALA A 105 0.710 15.037 -9.048 1.00 0.00 N ATOM 1603 CA ALA A 105 2.107 15.380 -9.274 1.00 0.00 C ATOM 1604 C ALA A 105 2.769 14.435 -10.280 1.00 0.00 C ATOM 1605 O ALA A 105 3.567 14.875 -11.104 1.00 0.00 O ATOM 1606 CB ALA A 105 2.858 15.370 -7.939 1.00 0.00 C ATOM 0 H ALA A 105 0.486 14.865 -8.068 1.00 0.00 H new ATOM 0 HA ALA A 105 2.150 16.381 -9.704 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.904 15.627 -8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.410 16.099 -7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.796 14.377 -7.494 1.00 0.00 H new ATOM 1612 N ASN A 106 2.440 13.141 -10.228 1.00 0.00 N ATOM 1613 CA ASN A 106 3.038 12.156 -11.124 1.00 0.00 C ATOM 1614 C ASN A 106 2.397 12.213 -12.507 1.00 0.00 C ATOM 1615 O ASN A 106 3.100 12.150 -13.512 1.00 0.00 O ATOM 1616 CB ASN A 106 2.883 10.743 -10.552 1.00 0.00 C ATOM 1617 CG ASN A 106 3.982 10.403 -9.555 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.960 9.758 -9.914 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.827 10.809 -8.299 1.00 0.00 N ATOM 0 H ASN A 106 1.761 12.754 -9.572 1.00 0.00 H new ATOM 0 HA ASN A 106 4.098 12.395 -11.216 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.912 10.655 -10.064 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.897 10.019 -11.367 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.535 10.585 -7.600 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.000 11.344 -8.034 1.00 0.00 H new ATOM 1626 N LEU A 107 1.070 12.320 -12.575 1.00 0.00 N ATOM 1627 CA LEU A 107 0.341 12.377 -13.831 1.00 0.00 C ATOM 1628 C LEU A 107 0.743 13.639 -14.594 1.00 0.00 C ATOM 1629 O LEU A 107 1.031 13.580 -15.788 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.167 12.320 -13.543 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.622 10.951 -13.005 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.030 11.080 -12.413 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.641 9.881 -14.106 1.00 0.00 C ATOM 0 H LEU A 107 0.471 12.370 -11.751 1.00 0.00 H new ATOM 0 HA LEU A 107 0.588 11.523 -14.461 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.423 13.093 -12.818 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.715 12.546 -14.457 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.909 10.641 -12.241 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.354 10.112 -12.031 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.018 11.805 -11.599 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.721 11.415 -13.187 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.968 8.931 -13.684 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.329 10.183 -14.895 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.640 9.769 -14.521 1.00 0.00 H new ATOM 1645 N ALA A 108 0.798 14.781 -13.903 1.00 0.00 N ATOM 1646 CA ALA A 108 1.212 16.044 -14.495 1.00 0.00 C ATOM 1647 C ALA A 108 2.640 15.924 -15.027 1.00 0.00 C ATOM 1648 O ALA A 108 3.147 16.843 -15.666 1.00 0.00 O ATOM 1649 CB ALA A 108 1.104 17.159 -13.450 1.00 0.00 C ATOM 0 H ALA A 108 0.555 14.850 -12.915 1.00 0.00 H new ATOM 0 HA ALA A 108 0.558 16.291 -15.331 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.414 18.105 -13.894 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.072 17.239 -13.109 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.749 16.927 -12.602 1.00 0.00 H new TER 1655 ALA A 108