USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 803 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 32 SER OG : rot -77:sc= 0.516 USER MOD Set 1.2: A 92 GLN : amide:sc= -3.56! C(o=-3!,f=-5.7!) USER MOD Set 2.1: A 60 ASN : amide:sc= -5.3! C(o=-4.2!,f=-6.6!) USER MOD Set 2.2: A 61 SER OG : rot 103:sc= 1.05 USER MOD Set 3.1: A 42 THR OG1 : rot -140:sc= -4.23! USER MOD Set 3.2: A 43 HIS : no HD1:sc= -9.17! C(o=-13!,f=-14!) USER MOD Set 4.1: A 9 SER OG : rot 180:sc= -0.218 USER MOD Set 4.2: A 10 THR OG1 : rot 180:sc= 0.00229 USER MOD Single : A 0 SER OG : rot 130:sc= -0.265 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 GLY N :NH3+ -125:sc= 0.121 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= -0.303 (180deg=-0.889) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.707 X(o=-0.71,f=-0.44!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -7.74! C(o=-7.7!,f=-18!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 170:sc= -0.657 (180deg=-1.01) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0707 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -108:sc= -0.123 (180deg=-0.996) USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= 1.14 (180deg=0.544) USER MOD Single : A 50 SER OG : rot 100:sc= 0.451 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.14 USER MOD Single : A 52 CYS SG : rot 88:sc= -8.09! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 55 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.037) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -1.04 K(o=-1,f=-2.5!) USER MOD Single : A 74 ASN : amide:sc= -2.37! C(o=-2.4!,f=-5.3!) USER MOD Single : A 75 HIS : no HD1:sc= -7.71! C(o=-7.7!,f=-14!) USER MOD Single : A 76 THR OG1 : rot 88:sc= 0.0237! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -111:sc= -1.32 (180deg=-6.24!) USER MOD Single : A 91 TYR OH : rot 30:sc= -0.811 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.172 F(o=-1.5,f=-0.17) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 HIS :FLIP no HD1:sc= 0.0574 F(o=-1.4!,f=0.057) USER MOD Single : A 99 SER OG : rot 126:sc= 1.21 USER MOD Single : A 100 THR OG1 : rot 180:sc=0.000896 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 50.768 -12.315 6.970 1.00 0.00 N ATOM 2 CA GLY A -1 49.811 -11.176 7.067 1.00 0.00 C ATOM 3 C GLY A -1 50.355 -10.139 8.052 1.00 0.00 C ATOM 4 O GLY A -1 51.513 -10.170 8.416 1.00 0.00 O ATOM 0 H1 GLY A -1 51.033 -12.462 5.975 1.00 0.00 H new ATOM 0 H2 GLY A -1 51.620 -12.101 7.528 1.00 0.00 H new ATOM 0 H3 GLY A -1 50.320 -13.178 7.340 1.00 0.00 H new ATOM 0 HA2 GLY A -1 49.668 -10.722 6.086 1.00 0.00 H new ATOM 0 HA3 GLY A -1 48.836 -11.533 7.399 1.00 0.00 H new ATOM 10 N SER A 0 49.533 -9.225 8.489 1.00 0.00 N ATOM 11 CA SER A 0 50.019 -8.196 9.452 1.00 0.00 C ATOM 12 C SER A 0 48.957 -7.929 10.525 1.00 0.00 C ATOM 13 O SER A 0 47.786 -8.192 10.334 1.00 0.00 O ATOM 14 CB SER A 0 50.264 -6.946 8.607 1.00 0.00 C ATOM 15 OG SER A 0 49.024 -6.461 8.109 1.00 0.00 O ATOM 0 H SER A 0 48.551 -9.146 8.223 1.00 0.00 H new ATOM 0 HA SER A 0 50.921 -8.513 9.976 1.00 0.00 H new ATOM 0 HB2 SER A 0 50.753 -6.178 9.207 1.00 0.00 H new ATOM 0 HB3 SER A 0 50.934 -7.179 7.780 1.00 0.00 H new ATOM 0 HG SER A 0 48.948 -5.502 8.297 1.00 0.00 H new ATOM 21 N MET A 1 49.362 -7.418 11.657 1.00 0.00 N ATOM 22 CA MET A 1 48.384 -7.143 12.750 1.00 0.00 C ATOM 23 C MET A 1 47.336 -6.129 12.289 1.00 0.00 C ATOM 24 O MET A 1 46.201 -6.151 12.722 1.00 0.00 O ATOM 25 CB MET A 1 49.224 -6.564 13.888 1.00 0.00 C ATOM 26 CG MET A 1 50.221 -7.622 14.362 1.00 0.00 C ATOM 27 SD MET A 1 49.304 -9.063 14.965 1.00 0.00 S ATOM 28 CE MET A 1 50.703 -9.984 15.651 1.00 0.00 C ATOM 0 H MET A 1 50.330 -7.179 11.872 1.00 0.00 H new ATOM 0 HA MET A 1 47.841 -8.039 13.052 1.00 0.00 H new ATOM 0 HB2 MET A 1 49.753 -5.673 13.549 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.580 -6.258 14.713 1.00 0.00 H new ATOM 0 HG2 MET A 1 50.882 -7.911 13.544 1.00 0.00 H new ATOM 0 HG3 MET A 1 50.852 -7.218 15.154 1.00 0.00 H new ATOM 0 HE1 MET A 1 50.347 -10.921 16.079 1.00 0.00 H new ATOM 0 HE2 MET A 1 51.422 -10.197 14.860 1.00 0.00 H new ATOM 0 HE3 MET A 1 51.184 -9.390 16.428 1.00 0.00 H new ATOM 38 N SER A 2 47.713 -5.239 11.418 1.00 0.00 N ATOM 39 CA SER A 2 46.745 -4.219 10.929 1.00 0.00 C ATOM 40 C SER A 2 45.774 -4.850 9.934 1.00 0.00 C ATOM 41 O SER A 2 46.119 -5.766 9.213 1.00 0.00 O ATOM 42 CB SER A 2 47.603 -3.158 10.247 1.00 0.00 C ATOM 43 OG SER A 2 48.401 -2.504 11.223 1.00 0.00 O ATOM 0 H SER A 2 48.651 -5.173 11.022 1.00 0.00 H new ATOM 0 HA SER A 2 46.142 -3.798 11.734 1.00 0.00 H new ATOM 0 HB2 SER A 2 48.238 -3.618 9.490 1.00 0.00 H new ATOM 0 HB3 SER A 2 46.969 -2.435 9.734 1.00 0.00 H new ATOM 0 HG SER A 2 48.955 -1.822 10.789 1.00 0.00 H new ATOM 49 N ASP A 3 44.561 -4.372 9.891 1.00 0.00 N ATOM 50 CA ASP A 3 43.570 -4.952 8.940 1.00 0.00 C ATOM 51 C ASP A 3 43.995 -4.654 7.498 1.00 0.00 C ATOM 52 O ASP A 3 43.583 -5.313 6.566 1.00 0.00 O ATOM 53 CB ASP A 3 42.231 -4.286 9.292 1.00 0.00 C ATOM 54 CG ASP A 3 42.281 -2.775 9.034 1.00 0.00 C ATOM 55 OD1 ASP A 3 43.137 -2.340 8.287 1.00 0.00 O ATOM 56 OD2 ASP A 3 41.451 -2.077 9.593 1.00 0.00 O ATOM 0 H ASP A 3 44.214 -3.608 10.471 1.00 0.00 H new ATOM 0 HA ASP A 3 43.495 -6.037 9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 3 41.432 -4.733 8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 3 41.993 -4.472 10.339 1.00 0.00 H new ATOM 61 N GLN A 4 44.832 -3.672 7.317 1.00 0.00 N ATOM 62 CA GLN A 4 45.305 -3.327 5.950 1.00 0.00 C ATOM 63 C GLN A 4 46.815 -3.111 5.990 1.00 0.00 C ATOM 64 O GLN A 4 47.387 -2.888 7.037 1.00 0.00 O ATOM 65 CB GLN A 4 44.574 -2.031 5.583 1.00 0.00 C ATOM 66 CG GLN A 4 45.015 -0.909 6.528 1.00 0.00 C ATOM 67 CD GLN A 4 44.290 0.395 6.170 1.00 0.00 C ATOM 68 OE1 GLN A 4 43.254 0.697 6.727 1.00 0.00 O ATOM 69 NE2 GLN A 4 44.796 1.188 5.267 1.00 0.00 N ATOM 0 H GLN A 4 45.211 -3.090 8.064 1.00 0.00 H new ATOM 0 HA GLN A 4 45.103 -4.110 5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 4 44.792 -1.758 4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 4 43.496 -2.177 5.653 1.00 0.00 H new ATOM 0 HG2 GLN A 4 44.797 -1.185 7.560 1.00 0.00 H new ATOM 0 HG3 GLN A 4 46.093 -0.766 6.458 1.00 0.00 H new ATOM 0 HE21 GLN A 4 45.666 0.937 4.798 1.00 0.00 H new ATOM 0 HE22 GLN A 4 44.322 2.059 5.030 1.00 0.00 H new ATOM 78 N GLU A 5 47.470 -3.178 4.871 1.00 0.00 N ATOM 79 CA GLU A 5 48.941 -2.972 4.876 1.00 0.00 C ATOM 80 C GLU A 5 49.283 -1.693 4.118 1.00 0.00 C ATOM 81 O GLU A 5 48.764 -1.433 3.050 1.00 0.00 O ATOM 82 CB GLU A 5 49.523 -4.207 4.185 1.00 0.00 C ATOM 83 CG GLU A 5 49.272 -5.445 5.055 1.00 0.00 C ATOM 84 CD GLU A 5 47.863 -5.994 4.809 1.00 0.00 C ATOM 85 OE1 GLU A 5 47.147 -5.412 4.011 1.00 0.00 O ATOM 86 OE2 GLU A 5 47.526 -6.995 5.421 1.00 0.00 O ATOM 0 H GLU A 5 47.055 -3.365 3.958 1.00 0.00 H new ATOM 0 HA GLU A 5 49.348 -2.859 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 5 49.064 -4.339 3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 5 50.593 -4.075 4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 5 50.013 -6.212 4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 5 49.390 -5.188 6.108 1.00 0.00 H new ATOM 93 N ALA A 6 50.136 -0.878 4.666 1.00 0.00 N ATOM 94 CA ALA A 6 50.484 0.393 3.975 1.00 0.00 C ATOM 95 C ALA A 6 51.980 0.678 4.099 1.00 0.00 C ATOM 96 O ALA A 6 52.418 1.397 4.978 1.00 0.00 O ATOM 97 CB ALA A 6 49.661 1.467 4.688 1.00 0.00 C ATOM 0 H ALA A 6 50.606 -1.034 5.558 1.00 0.00 H new ATOM 0 HA ALA A 6 50.266 0.357 2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 6 49.861 2.439 4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 6 48.600 1.235 4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 6 49.934 1.494 5.743 1.00 0.00 H new ATOM 103 N LYS A 7 52.767 0.124 3.218 1.00 0.00 N ATOM 104 CA LYS A 7 54.235 0.365 3.276 1.00 0.00 C ATOM 105 C LYS A 7 54.610 1.568 2.396 1.00 0.00 C ATOM 106 O LYS A 7 54.443 1.522 1.193 1.00 0.00 O ATOM 107 CB LYS A 7 54.868 -0.911 2.723 1.00 0.00 C ATOM 108 CG LYS A 7 54.555 -2.083 3.655 1.00 0.00 C ATOM 109 CD LYS A 7 55.145 -3.366 3.070 1.00 0.00 C ATOM 110 CE LYS A 7 55.635 -4.268 4.204 1.00 0.00 C ATOM 111 NZ LYS A 7 57.095 -4.000 4.294 1.00 0.00 N ATOM 0 H LYS A 7 52.456 -0.485 2.461 1.00 0.00 H new ATOM 0 HA LYS A 7 54.576 0.588 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 7 54.485 -1.116 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 7 55.947 -0.784 2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 7 54.971 -1.896 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 7 53.477 -2.188 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 7 54.393 -3.886 2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 7 55.970 -3.126 2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 7 55.131 -4.035 5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 7 55.437 -5.318 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 57.509 -4.581 5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 57.548 -4.237 3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 57.251 -2.994 4.506 1.00 0.00 H new ATOM 125 N PRO A 8 55.107 2.610 3.022 1.00 0.00 N ATOM 126 CA PRO A 8 55.516 3.830 2.279 1.00 0.00 C ATOM 127 C PRO A 8 56.611 3.508 1.256 1.00 0.00 C ATOM 128 O PRO A 8 56.780 4.200 0.270 1.00 0.00 O ATOM 129 CB PRO A 8 56.066 4.728 3.391 1.00 0.00 C ATOM 130 CG PRO A 8 55.943 3.987 4.735 1.00 0.00 C ATOM 131 CD PRO A 8 55.287 2.625 4.492 1.00 0.00 C ATOM 0 HA PRO A 8 54.704 4.283 1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 8 57.108 4.979 3.193 1.00 0.00 H new ATOM 0 HB3 PRO A 8 55.513 5.667 3.426 1.00 0.00 H new ATOM 0 HG2 PRO A 8 56.927 3.856 5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 8 55.347 4.573 5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 8 55.919 1.804 4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 8 54.337 2.533 5.018 1.00 0.00 H new ATOM 139 N SER A 9 57.363 2.469 1.494 1.00 0.00 N ATOM 140 CA SER A 9 58.458 2.097 0.553 1.00 0.00 C ATOM 141 C SER A 9 57.895 1.783 -0.827 1.00 0.00 C ATOM 142 O SER A 9 58.497 2.079 -1.841 1.00 0.00 O ATOM 143 CB SER A 9 59.067 0.835 1.148 1.00 0.00 C ATOM 144 OG SER A 9 58.095 -0.203 1.118 1.00 0.00 O ATOM 0 H SER A 9 57.266 1.858 2.305 1.00 0.00 H new ATOM 0 HA SER A 9 59.181 2.904 0.434 1.00 0.00 H new ATOM 0 HB2 SER A 9 59.951 0.540 0.583 1.00 0.00 H new ATOM 0 HB3 SER A 9 59.391 1.019 2.172 1.00 0.00 H new ATOM 0 HG SER A 9 58.478 -1.021 1.498 1.00 0.00 H new ATOM 150 N THR A 10 56.748 1.171 -0.876 1.00 0.00 N ATOM 151 CA THR A 10 56.166 0.824 -2.195 1.00 0.00 C ATOM 152 C THR A 10 55.966 2.099 -3.013 1.00 0.00 C ATOM 153 O THR A 10 56.365 2.178 -4.157 1.00 0.00 O ATOM 154 CB THR A 10 54.821 0.167 -1.875 1.00 0.00 C ATOM 155 OG1 THR A 10 55.030 -0.938 -1.004 1.00 0.00 O ATOM 156 CG2 THR A 10 54.172 -0.318 -3.172 1.00 0.00 C ATOM 0 H THR A 10 56.193 0.898 -0.065 1.00 0.00 H new ATOM 0 HA THR A 10 56.805 0.162 -2.779 1.00 0.00 H new ATOM 0 HB THR A 10 54.166 0.891 -1.390 1.00 0.00 H new ATOM 0 HG1 THR A 10 54.169 -1.359 -0.797 1.00 0.00 H new ATOM 0 HG21 THR A 10 53.214 -0.786 -2.946 1.00 0.00 H new ATOM 0 HG22 THR A 10 54.014 0.530 -3.839 1.00 0.00 H new ATOM 0 HG23 THR A 10 54.825 -1.044 -3.657 1.00 0.00 H new ATOM 164 N GLU A 11 55.376 3.107 -2.433 1.00 0.00 N ATOM 165 CA GLU A 11 55.182 4.378 -3.188 1.00 0.00 C ATOM 166 C GLU A 11 56.550 4.952 -3.595 1.00 0.00 C ATOM 167 O GLU A 11 56.733 5.424 -4.700 1.00 0.00 O ATOM 168 CB GLU A 11 54.467 5.321 -2.215 1.00 0.00 C ATOM 169 CG GLU A 11 54.099 6.619 -2.940 1.00 0.00 C ATOM 170 CD GLU A 11 53.856 7.731 -1.919 1.00 0.00 C ATOM 171 OE1 GLU A 11 53.799 7.425 -0.739 1.00 0.00 O ATOM 172 OE2 GLU A 11 53.733 8.872 -2.336 1.00 0.00 O ATOM 0 H GLU A 11 55.022 3.107 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 11 54.606 4.236 -4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 11 53.569 4.844 -1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 11 55.111 5.538 -1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 11 54.901 6.906 -3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 11 53.206 6.467 -3.546 1.00 0.00 H new ATOM 179 N ASP A 12 57.511 4.913 -2.702 1.00 0.00 N ATOM 180 CA ASP A 12 58.873 5.453 -3.022 1.00 0.00 C ATOM 181 C ASP A 12 59.943 4.672 -2.243 1.00 0.00 C ATOM 182 O ASP A 12 59.643 4.006 -1.272 1.00 0.00 O ATOM 183 CB ASP A 12 58.838 6.914 -2.566 1.00 0.00 C ATOM 184 CG ASP A 12 59.980 7.694 -3.226 1.00 0.00 C ATOM 185 OD1 ASP A 12 60.722 7.094 -3.986 1.00 0.00 O ATOM 186 OD2 ASP A 12 60.093 8.879 -2.960 1.00 0.00 O ATOM 0 H ASP A 12 57.411 4.529 -1.762 1.00 0.00 H new ATOM 0 HA ASP A 12 59.117 5.364 -4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 12 57.880 7.363 -2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 12 58.929 6.968 -1.481 1.00 0.00 H new ATOM 191 N LEU A 13 61.183 4.738 -2.665 1.00 0.00 N ATOM 192 CA LEU A 13 62.265 3.985 -1.950 1.00 0.00 C ATOM 193 C LEU A 13 61.982 2.484 -1.990 1.00 0.00 C ATOM 194 O LEU A 13 62.256 1.765 -1.050 1.00 0.00 O ATOM 195 CB LEU A 13 62.260 4.490 -0.501 1.00 0.00 C ATOM 196 CG LEU A 13 62.876 5.886 -0.432 1.00 0.00 C ATOM 197 CD1 LEU A 13 61.959 6.886 -1.133 1.00 0.00 C ATOM 198 CD2 LEU A 13 63.047 6.290 1.035 1.00 0.00 C ATOM 0 H LEU A 13 61.493 5.279 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 13 63.235 4.146 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 13 61.239 4.515 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 13 62.821 3.804 0.134 1.00 0.00 H new ATOM 0 HG LEU A 13 63.847 5.881 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 13 62.400 7.881 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 13 61.835 6.596 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 13 60.986 6.895 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 13 63.486 7.286 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 13 62.074 6.295 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 13 63.702 5.577 1.535 1.00 0.00 H new ATOM 210 N GLY A 14 61.443 2.004 -3.075 1.00 0.00 N ATOM 211 CA GLY A 14 61.154 0.548 -3.184 1.00 0.00 C ATOM 212 C GLY A 14 62.132 -0.065 -4.179 1.00 0.00 C ATOM 213 O GLY A 14 63.243 -0.419 -3.838 1.00 0.00 O ATOM 0 H GLY A 14 61.190 2.559 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 14 61.253 0.068 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 14 60.128 0.389 -3.515 1.00 0.00 H new ATOM 217 N ASP A 15 61.738 -0.175 -5.417 1.00 0.00 N ATOM 218 CA ASP A 15 62.659 -0.746 -6.434 1.00 0.00 C ATOM 219 C ASP A 15 63.902 0.137 -6.543 1.00 0.00 C ATOM 220 O ASP A 15 64.992 -0.333 -6.800 1.00 0.00 O ATOM 221 CB ASP A 15 61.882 -0.713 -7.751 1.00 0.00 C ATOM 222 CG ASP A 15 62.636 -1.532 -8.799 1.00 0.00 C ATOM 223 OD1 ASP A 15 63.712 -2.014 -8.484 1.00 0.00 O ATOM 224 OD2 ASP A 15 62.125 -1.667 -9.900 1.00 0.00 O ATOM 0 H ASP A 15 60.821 0.105 -5.766 1.00 0.00 H new ATOM 0 HA ASP A 15 62.982 -1.755 -6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 15 60.880 -1.118 -7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 15 61.764 0.316 -8.092 1.00 0.00 H new ATOM 229 N LYS A 16 63.734 1.421 -6.366 1.00 0.00 N ATOM 230 CA LYS A 16 64.886 2.353 -6.475 1.00 0.00 C ATOM 231 C LYS A 16 65.483 2.255 -7.883 1.00 0.00 C ATOM 232 O LYS A 16 64.807 2.498 -8.862 1.00 0.00 O ATOM 233 CB LYS A 16 65.885 1.912 -5.398 1.00 0.00 C ATOM 234 CG LYS A 16 65.280 2.149 -4.010 1.00 0.00 C ATOM 235 CD LYS A 16 66.388 2.079 -2.954 1.00 0.00 C ATOM 236 CE LYS A 16 65.823 2.428 -1.574 1.00 0.00 C ATOM 237 NZ LYS A 16 66.999 2.393 -0.659 1.00 0.00 N ATOM 0 H LYS A 16 62.841 1.863 -6.149 1.00 0.00 H new ATOM 0 HA LYS A 16 64.603 3.395 -6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 16 66.130 0.857 -5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 16 66.816 2.470 -5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 16 64.791 3.122 -3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 16 64.516 1.400 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 16 66.821 1.079 -2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 16 67.191 2.769 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 16 65.353 3.412 -1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 16 65.061 1.712 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.693 2.622 0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 67.421 1.443 -0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 67.704 3.090 -0.973 1.00 0.00 H new ATOM 251 N LYS A 17 66.734 1.916 -8.007 1.00 0.00 N ATOM 252 CA LYS A 17 67.331 1.827 -9.366 1.00 0.00 C ATOM 253 C LYS A 17 67.850 0.412 -9.640 1.00 0.00 C ATOM 254 O LYS A 17 68.632 -0.133 -8.886 1.00 0.00 O ATOM 255 CB LYS A 17 68.476 2.835 -9.334 1.00 0.00 C ATOM 256 CG LYS A 17 69.155 2.906 -10.701 1.00 0.00 C ATOM 257 CD LYS A 17 70.321 3.894 -10.623 1.00 0.00 C ATOM 258 CE LYS A 17 69.783 5.297 -10.331 1.00 0.00 C ATOM 259 NZ LYS A 17 70.068 5.513 -8.887 1.00 0.00 N ATOM 0 H LYS A 17 67.364 1.699 -7.235 1.00 0.00 H new ATOM 0 HA LYS A 17 66.612 2.040 -10.157 1.00 0.00 H new ATOM 0 HB2 LYS A 17 68.097 3.819 -9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 17 69.202 2.547 -8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 17 69.515 1.920 -10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 17 68.441 3.224 -11.461 1.00 0.00 H new ATOM 0 HD2 LYS A 17 71.017 3.590 -9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 17 70.875 3.894 -11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 17 70.276 6.047 -10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 17 68.715 5.364 -10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 69.243 5.954 -8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 70.266 4.599 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 70.894 6.137 -8.786 1.00 0.00 H new ATOM 273 N GLU A 18 67.433 -0.179 -10.730 1.00 0.00 N ATOM 274 CA GLU A 18 67.912 -1.549 -11.072 1.00 0.00 C ATOM 275 C GLU A 18 69.429 -1.527 -11.232 1.00 0.00 C ATOM 276 O GLU A 18 70.127 -2.438 -10.828 1.00 0.00 O ATOM 277 CB GLU A 18 67.250 -1.869 -12.410 1.00 0.00 C ATOM 278 CG GLU A 18 67.603 -3.295 -12.834 1.00 0.00 C ATOM 279 CD GLU A 18 67.038 -3.553 -14.230 1.00 0.00 C ATOM 280 OE1 GLU A 18 66.320 -2.696 -14.722 1.00 0.00 O ATOM 281 OE2 GLU A 18 67.334 -4.598 -14.787 1.00 0.00 O ATOM 0 H GLU A 18 66.780 0.230 -11.398 1.00 0.00 H new ATOM 0 HA GLU A 18 67.668 -2.286 -10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 18 66.169 -1.762 -12.326 1.00 0.00 H new ATOM 0 HB3 GLU A 18 67.582 -1.161 -13.169 1.00 0.00 H new ATOM 0 HG2 GLU A 18 68.685 -3.431 -12.835 1.00 0.00 H new ATOM 0 HG3 GLU A 18 67.192 -4.012 -12.123 1.00 0.00 H new ATOM 288 N GLY A 19 69.941 -0.484 -11.821 1.00 0.00 N ATOM 289 CA GLY A 19 71.411 -0.376 -12.017 1.00 0.00 C ATOM 290 C GLY A 19 72.099 -0.392 -10.655 1.00 0.00 C ATOM 291 O GLY A 19 71.475 -0.179 -9.637 1.00 0.00 O ATOM 0 H GLY A 19 69.400 0.304 -12.177 1.00 0.00 H new ATOM 0 HA2 GLY A 19 71.770 -1.203 -12.630 1.00 0.00 H new ATOM 0 HA3 GLY A 19 71.653 0.544 -12.550 1.00 0.00 H new ATOM 295 N GLU A 20 73.376 -0.641 -10.620 1.00 0.00 N ATOM 296 CA GLU A 20 74.077 -0.667 -9.307 1.00 0.00 C ATOM 297 C GLU A 20 75.219 0.349 -9.262 1.00 0.00 C ATOM 298 O GLU A 20 76.371 -0.006 -9.350 1.00 0.00 O ATOM 299 CB GLU A 20 74.633 -2.088 -9.171 1.00 0.00 C ATOM 300 CG GLU A 20 73.492 -3.072 -8.900 1.00 0.00 C ATOM 301 CD GLU A 20 74.043 -4.501 -8.878 1.00 0.00 C ATOM 302 OE1 GLU A 20 75.239 -4.657 -9.066 1.00 0.00 O ATOM 303 OE2 GLU A 20 73.260 -5.415 -8.675 1.00 0.00 O ATOM 0 H GLU A 20 73.961 -0.826 -11.435 1.00 0.00 H new ATOM 0 HA GLU A 20 73.398 -0.406 -8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 20 75.159 -2.370 -10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 20 75.359 -2.127 -8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 20 73.016 -2.840 -7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 20 72.726 -2.978 -9.670 1.00 0.00 H new ATOM 310 N TYR A 21 74.912 1.606 -9.084 1.00 0.00 N ATOM 311 CA TYR A 21 75.999 2.623 -8.984 1.00 0.00 C ATOM 312 C TYR A 21 75.793 3.433 -7.711 1.00 0.00 C ATOM 313 O TYR A 21 74.702 3.880 -7.419 1.00 0.00 O ATOM 314 CB TYR A 21 75.872 3.505 -10.223 1.00 0.00 C ATOM 315 CG TYR A 21 76.125 2.658 -11.445 1.00 0.00 C ATOM 316 CD1 TYR A 21 77.433 2.460 -11.901 1.00 0.00 C ATOM 317 CD2 TYR A 21 75.052 2.045 -12.103 1.00 0.00 C ATOM 318 CE1 TYR A 21 77.668 1.652 -13.020 1.00 0.00 C ATOM 319 CE2 TYR A 21 75.287 1.232 -13.218 1.00 0.00 C ATOM 320 CZ TYR A 21 76.596 1.035 -13.676 1.00 0.00 C ATOM 321 OH TYR A 21 76.828 0.226 -14.769 1.00 0.00 O ATOM 0 H TYR A 21 73.963 1.971 -9.004 1.00 0.00 H new ATOM 0 HA TYR A 21 76.991 2.174 -8.939 1.00 0.00 H new ATOM 0 HB2 TYR A 21 74.878 3.950 -10.270 1.00 0.00 H new ATOM 0 HB3 TYR A 21 76.587 4.326 -10.177 1.00 0.00 H new ATOM 0 HD1 TYR A 21 78.260 2.930 -11.390 1.00 0.00 H new ATOM 0 HD2 TYR A 21 74.043 2.199 -11.750 1.00 0.00 H new ATOM 0 HE1 TYR A 21 78.676 1.505 -13.377 1.00 0.00 H new ATOM 0 HE2 TYR A 21 74.460 0.757 -13.725 1.00 0.00 H new ATOM 0 HH TYR A 21 75.976 -0.124 -15.104 1.00 0.00 H new ATOM 331 N ILE A 22 76.822 3.613 -6.938 1.00 0.00 N ATOM 332 CA ILE A 22 76.657 4.378 -5.678 1.00 0.00 C ATOM 333 C ILE A 22 77.870 5.253 -5.443 1.00 0.00 C ATOM 334 O ILE A 22 78.945 4.967 -5.922 1.00 0.00 O ATOM 335 CB ILE A 22 76.541 3.312 -4.584 1.00 0.00 C ATOM 336 CG1 ILE A 22 77.927 2.663 -4.314 1.00 0.00 C ATOM 337 CG2 ILE A 22 75.529 2.263 -5.053 1.00 0.00 C ATOM 338 CD1 ILE A 22 78.049 1.304 -5.003 1.00 0.00 C ATOM 0 H ILE A 22 77.763 3.266 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 22 75.788 5.036 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 22 76.203 3.761 -3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 22 78.716 3.325 -4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 22 78.071 2.543 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 22 75.427 1.490 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 22 74.563 2.739 -5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 22 75.876 1.812 -5.983 1.00 0.00 H new ATOM 0 HD11 ILE A 22 79.030 0.877 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 22 77.275 0.635 -4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 22 77.930 1.430 -6.079 1.00 0.00 H new ATOM 350 N LYS A 23 77.727 6.285 -4.676 1.00 0.00 N ATOM 351 CA LYS A 23 78.903 7.126 -4.389 1.00 0.00 C ATOM 352 C LYS A 23 79.476 6.690 -3.052 1.00 0.00 C ATOM 353 O LYS A 23 78.893 6.902 -2.009 1.00 0.00 O ATOM 354 CB LYS A 23 78.380 8.560 -4.359 1.00 0.00 C ATOM 355 CG LYS A 23 79.513 9.517 -3.970 1.00 0.00 C ATOM 356 CD LYS A 23 79.018 10.963 -4.059 1.00 0.00 C ATOM 357 CE LYS A 23 78.793 11.338 -5.529 1.00 0.00 C ATOM 358 NZ LYS A 23 78.346 12.761 -5.508 1.00 0.00 N ATOM 0 H LYS A 23 76.854 6.580 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 23 79.701 7.041 -5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 23 77.981 8.832 -5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 23 77.560 8.643 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 23 79.854 9.300 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 23 80.367 9.373 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 23 78.090 11.076 -3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 23 79.747 11.636 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 23 79.708 11.222 -6.109 1.00 0.00 H new ATOM 0 HE3 LYS A 23 78.041 10.696 -5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 78.173 13.085 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 77.469 12.841 -4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 79.084 13.350 -5.073 1.00 0.00 H new ATOM 372 N LEU A 24 80.611 6.056 -3.086 1.00 0.00 N ATOM 373 CA LEU A 24 81.229 5.576 -1.830 1.00 0.00 C ATOM 374 C LEU A 24 82.469 6.407 -1.517 1.00 0.00 C ATOM 375 O LEU A 24 83.335 6.582 -2.348 1.00 0.00 O ATOM 376 CB LEU A 24 81.616 4.121 -2.099 1.00 0.00 C ATOM 377 CG LEU A 24 82.180 3.510 -0.814 1.00 0.00 C ATOM 378 CD1 LEU A 24 81.981 1.992 -0.822 1.00 0.00 C ATOM 379 CD2 LEU A 24 83.672 3.837 -0.721 1.00 0.00 C ATOM 0 H LEU A 24 81.137 5.850 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 24 80.555 5.661 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.746 3.556 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 24 82.357 4.070 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 24 81.657 3.926 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 24 82.386 1.567 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 24 80.917 1.765 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 24 82.498 1.562 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 24 84.083 3.406 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 24 84.190 3.420 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 24 83.807 4.918 -0.704 1.00 0.00 H new ATOM 391 N LYS A 25 82.575 6.915 -0.328 1.00 0.00 N ATOM 392 CA LYS A 25 83.778 7.721 0.013 1.00 0.00 C ATOM 393 C LYS A 25 84.479 7.120 1.231 1.00 0.00 C ATOM 394 O LYS A 25 83.847 6.789 2.215 1.00 0.00 O ATOM 395 CB LYS A 25 83.253 9.114 0.333 1.00 0.00 C ATOM 396 CG LYS A 25 82.288 9.039 1.518 1.00 0.00 C ATOM 397 CD LYS A 25 81.452 10.315 1.579 1.00 0.00 C ATOM 398 CE LYS A 25 80.377 10.164 2.658 1.00 0.00 C ATOM 399 NZ LYS A 25 79.349 11.193 2.331 1.00 0.00 N ATOM 0 H LYS A 25 81.889 6.810 0.419 1.00 0.00 H new ATOM 0 HA LYS A 25 84.504 7.742 -0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 25 84.082 9.781 0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 25 82.745 9.531 -0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.637 8.170 1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.845 8.912 2.446 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.089 11.171 1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 25 80.988 10.506 0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 25 79.948 9.162 2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 25 80.792 10.324 3.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 78.579 11.149 3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 79.784 12.138 2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 78.966 11.011 1.381 1.00 0.00 H new ATOM 413 N VAL A 26 85.777 6.976 1.178 1.00 0.00 N ATOM 414 CA VAL A 26 86.497 6.390 2.350 1.00 0.00 C ATOM 415 C VAL A 26 87.617 7.321 2.833 1.00 0.00 C ATOM 416 O VAL A 26 88.311 7.935 2.049 1.00 0.00 O ATOM 417 CB VAL A 26 87.092 5.067 1.857 1.00 0.00 C ATOM 418 CG1 VAL A 26 86.020 4.241 1.147 1.00 0.00 C ATOM 419 CG2 VAL A 26 88.242 5.343 0.891 1.00 0.00 C ATOM 0 H VAL A 26 86.365 7.235 0.385 1.00 0.00 H new ATOM 0 HA VAL A 26 85.819 6.246 3.192 1.00 0.00 H new ATOM 0 HB VAL A 26 87.465 4.509 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 26 86.454 3.303 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 26 85.205 4.030 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 26 85.636 4.800 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 26 88.661 4.398 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.872 5.911 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 26 89.016 5.917 1.401 1.00 0.00 H new ATOM 429 N ILE A 27 87.804 7.408 4.124 1.00 0.00 N ATOM 430 CA ILE A 27 88.886 8.275 4.683 1.00 0.00 C ATOM 431 C ILE A 27 89.741 7.466 5.669 1.00 0.00 C ATOM 432 O ILE A 27 89.285 6.492 6.233 1.00 0.00 O ATOM 433 CB ILE A 27 88.143 9.402 5.404 1.00 0.00 C ATOM 434 CG1 ILE A 27 87.186 8.809 6.440 1.00 0.00 C ATOM 435 CG2 ILE A 27 87.339 10.212 4.394 1.00 0.00 C ATOM 436 CD1 ILE A 27 86.704 9.913 7.379 1.00 0.00 C ATOM 0 H ILE A 27 87.249 6.912 4.822 1.00 0.00 H new ATOM 0 HA ILE A 27 89.561 8.658 3.918 1.00 0.00 H new ATOM 0 HB ILE A 27 88.869 10.046 5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 27 86.336 8.344 5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 27 87.688 8.027 7.009 1.00 0.00 H new ATOM 0 HG21 ILE A 27 86.810 11.014 4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 27 88.013 10.640 3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 27 86.618 9.562 3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 27 86.022 9.491 8.117 1.00 0.00 H new ATOM 0 HD12 ILE A 27 87.560 10.357 7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 27 86.186 10.680 6.803 1.00 0.00 H new ATOM 448 N GLY A 28 90.979 7.842 5.878 1.00 0.00 N ATOM 449 CA GLY A 28 91.830 7.056 6.824 1.00 0.00 C ATOM 450 C GLY A 28 92.742 7.980 7.641 1.00 0.00 C ATOM 451 O GLY A 28 92.957 9.132 7.291 1.00 0.00 O ATOM 0 H GLY A 28 91.431 8.646 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 28 91.195 6.479 7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 28 92.436 6.342 6.266 1.00 0.00 H new ATOM 455 N GLN A 29 93.281 7.460 8.730 1.00 0.00 N ATOM 456 CA GLN A 29 94.181 8.257 9.625 1.00 0.00 C ATOM 457 C GLN A 29 95.276 8.954 8.826 1.00 0.00 C ATOM 458 O GLN A 29 95.830 9.949 9.248 1.00 0.00 O ATOM 459 CB GLN A 29 94.781 7.229 10.587 1.00 0.00 C ATOM 460 CG GLN A 29 95.706 7.938 11.579 1.00 0.00 C ATOM 461 CD GLN A 29 94.932 9.060 12.264 1.00 0.00 C ATOM 462 OE1 GLN A 29 94.848 10.157 11.750 1.00 0.00 O ATOM 463 NE2 GLN A 29 94.350 8.828 13.408 1.00 0.00 N ATOM 0 H GLN A 29 93.128 6.499 9.036 1.00 0.00 H new ATOM 0 HA GLN A 29 93.641 9.047 10.147 1.00 0.00 H new ATOM 0 HB2 GLN A 29 93.987 6.709 11.122 1.00 0.00 H new ATOM 0 HB3 GLN A 29 95.337 6.475 10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 29 96.077 7.230 12.320 1.00 0.00 H new ATOM 0 HG3 GLN A 29 96.575 8.342 11.060 1.00 0.00 H new ATOM 0 HE21 GLN A 29 94.421 7.906 13.839 1.00 0.00 H new ATOM 0 HE22 GLN A 29 93.824 9.568 13.872 1.00 0.00 H new ATOM 472 N ASP A 30 95.562 8.470 7.657 1.00 0.00 N ATOM 473 CA ASP A 30 96.587 9.133 6.808 1.00 0.00 C ATOM 474 C ASP A 30 95.958 10.360 6.143 1.00 0.00 C ATOM 475 O ASP A 30 96.522 10.959 5.248 1.00 0.00 O ATOM 476 CB ASP A 30 96.964 8.076 5.770 1.00 0.00 C ATOM 477 CG ASP A 30 95.736 7.732 4.922 1.00 0.00 C ATOM 478 OD1 ASP A 30 94.737 8.420 5.049 1.00 0.00 O ATOM 479 OD2 ASP A 30 95.810 6.779 4.168 1.00 0.00 O ATOM 0 H ASP A 30 95.130 7.641 7.249 1.00 0.00 H new ATOM 0 HA ASP A 30 97.460 9.476 7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.767 8.447 5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.339 7.181 6.266 1.00 0.00 H new ATOM 484 N SER A 31 94.770 10.719 6.571 1.00 0.00 N ATOM 485 CA SER A 31 94.067 11.878 5.974 1.00 0.00 C ATOM 486 C SER A 31 93.825 11.589 4.500 1.00 0.00 C ATOM 487 O SER A 31 93.917 12.455 3.654 1.00 0.00 O ATOM 488 CB SER A 31 94.997 13.071 6.189 1.00 0.00 C ATOM 489 OG SER A 31 95.256 13.196 7.583 1.00 0.00 O ATOM 0 H SER A 31 94.260 10.247 7.317 1.00 0.00 H new ATOM 0 HA SER A 31 93.094 12.080 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 31 95.929 12.928 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 31 94.539 13.983 5.806 1.00 0.00 H new ATOM 0 HG SER A 31 95.854 13.957 7.738 1.00 0.00 H new ATOM 495 N SER A 32 93.499 10.359 4.196 1.00 0.00 N ATOM 496 CA SER A 32 93.230 9.992 2.775 1.00 0.00 C ATOM 497 C SER A 32 91.728 9.978 2.516 1.00 0.00 C ATOM 498 O SER A 32 91.106 8.936 2.518 1.00 0.00 O ATOM 499 CB SER A 32 93.791 8.580 2.591 1.00 0.00 C ATOM 500 OG SER A 32 93.091 7.679 3.442 1.00 0.00 O ATOM 0 H SER A 32 93.408 9.597 4.867 1.00 0.00 H new ATOM 0 HA SER A 32 93.686 10.704 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 32 93.689 8.269 1.551 1.00 0.00 H new ATOM 0 HB3 SER A 32 94.855 8.566 2.825 1.00 0.00 H new ATOM 0 HG SER A 32 93.410 7.784 4.363 1.00 0.00 H new ATOM 506 N GLU A 33 91.133 11.112 2.281 1.00 0.00 N ATOM 507 CA GLU A 33 89.669 11.121 2.012 1.00 0.00 C ATOM 508 C GLU A 33 89.397 11.247 0.515 1.00 0.00 C ATOM 509 O GLU A 33 89.811 12.191 -0.128 1.00 0.00 O ATOM 510 CB GLU A 33 89.128 12.333 2.767 1.00 0.00 C ATOM 511 CG GLU A 33 87.640 12.522 2.453 1.00 0.00 C ATOM 512 CD GLU A 33 87.060 13.559 3.417 1.00 0.00 C ATOM 513 OE1 GLU A 33 87.096 13.313 4.612 1.00 0.00 O ATOM 514 OE2 GLU A 33 86.602 14.586 2.947 1.00 0.00 O ATOM 0 H GLU A 33 91.590 12.024 2.263 1.00 0.00 H new ATOM 0 HA GLU A 33 89.190 10.197 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 33 89.268 12.196 3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 33 89.685 13.227 2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 33 87.511 12.851 1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 33 87.110 11.575 2.554 1.00 0.00 H new ATOM 521 N ILE A 34 88.688 10.302 -0.038 1.00 0.00 N ATOM 522 CA ILE A 34 88.360 10.361 -1.490 1.00 0.00 C ATOM 523 C ILE A 34 86.865 10.106 -1.689 1.00 0.00 C ATOM 524 O ILE A 34 86.301 9.189 -1.110 1.00 0.00 O ATOM 525 CB ILE A 34 89.184 9.247 -2.148 1.00 0.00 C ATOM 526 CG1 ILE A 34 88.787 7.887 -1.560 1.00 0.00 C ATOM 527 CG2 ILE A 34 90.669 9.484 -1.893 1.00 0.00 C ATOM 528 CD1 ILE A 34 87.578 7.330 -2.314 1.00 0.00 C ATOM 0 H ILE A 34 88.320 9.488 0.455 1.00 0.00 H new ATOM 0 HA ILE A 34 88.590 11.334 -1.924 1.00 0.00 H new ATOM 0 HB ILE A 34 88.990 9.252 -3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 34 89.623 7.192 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 34 88.550 7.993 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 34 91.250 8.690 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 34 90.962 10.446 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 34 90.858 9.486 -0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 34 87.300 6.364 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 34 86.741 8.021 -2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 34 87.831 7.207 -3.367 1.00 0.00 H new ATOM 540 N HIS A 35 86.213 10.895 -2.507 1.00 0.00 N ATOM 541 CA HIS A 35 84.761 10.665 -2.734 1.00 0.00 C ATOM 542 C HIS A 35 84.518 10.258 -4.198 1.00 0.00 C ATOM 543 O HIS A 35 84.781 11.014 -5.115 1.00 0.00 O ATOM 544 CB HIS A 35 84.076 11.999 -2.415 1.00 0.00 C ATOM 545 CG HIS A 35 84.390 12.390 -0.998 1.00 0.00 C ATOM 546 ND1 HIS A 35 83.656 11.922 0.080 1.00 0.00 N ATOM 547 CD2 HIS A 35 85.381 13.175 -0.463 1.00 0.00 C ATOM 548 CE1 HIS A 35 84.219 12.415 1.201 1.00 0.00 C ATOM 549 NE2 HIS A 35 85.272 13.189 0.925 1.00 0.00 N ATOM 0 H HIS A 35 86.620 11.677 -3.019 1.00 0.00 H new ATOM 0 HA HIS A 35 84.369 9.862 -2.110 1.00 0.00 H new ATOM 0 HB2 HIS A 35 84.420 12.772 -3.103 1.00 0.00 H new ATOM 0 HB3 HIS A 35 82.998 11.909 -2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 35 86.132 13.702 -1.033 1.00 0.00 H new ATOM 0 HE1 HIS A 35 83.863 12.209 2.200 1.00 0.00 H new ATOM 0 HE2 HIS A 35 85.868 13.684 1.588 1.00 0.00 H new ATOM 557 N PHE A 36 84.017 9.069 -4.420 1.00 0.00 N ATOM 558 CA PHE A 36 83.757 8.617 -5.823 1.00 0.00 C ATOM 559 C PHE A 36 82.704 7.490 -5.837 1.00 0.00 C ATOM 560 O PHE A 36 82.336 6.968 -4.805 1.00 0.00 O ATOM 561 CB PHE A 36 85.130 8.179 -6.365 1.00 0.00 C ATOM 562 CG PHE A 36 85.576 6.836 -5.816 1.00 0.00 C ATOM 563 CD1 PHE A 36 85.025 6.312 -4.644 1.00 0.00 C ATOM 564 CD2 PHE A 36 86.564 6.117 -6.502 1.00 0.00 C ATOM 565 CE1 PHE A 36 85.455 5.069 -4.160 1.00 0.00 C ATOM 566 CE2 PHE A 36 86.995 4.877 -6.019 1.00 0.00 C ATOM 567 CZ PHE A 36 86.440 4.351 -4.849 1.00 0.00 C ATOM 0 H PHE A 36 83.777 8.393 -3.694 1.00 0.00 H new ATOM 0 HA PHE A 36 83.337 9.399 -6.455 1.00 0.00 H new ATOM 0 HB2 PHE A 36 85.086 8.126 -7.453 1.00 0.00 H new ATOM 0 HB3 PHE A 36 85.874 8.935 -6.113 1.00 0.00 H new ATOM 0 HD1 PHE A 36 84.267 6.866 -4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 36 86.994 6.521 -7.406 1.00 0.00 H new ATOM 0 HE1 PHE A 36 85.026 4.665 -3.255 1.00 0.00 H new ATOM 0 HE2 PHE A 36 87.757 4.326 -6.550 1.00 0.00 H new ATOM 0 HZ PHE A 36 86.770 3.392 -4.477 1.00 0.00 H new ATOM 577 N LYS A 37 82.174 7.141 -6.987 1.00 0.00 N ATOM 578 CA LYS A 37 81.108 6.083 -7.019 1.00 0.00 C ATOM 579 C LYS A 37 81.592 4.809 -7.715 1.00 0.00 C ATOM 580 O LYS A 37 82.379 4.845 -8.642 1.00 0.00 O ATOM 581 CB LYS A 37 79.963 6.692 -7.837 1.00 0.00 C ATOM 582 CG LYS A 37 79.758 8.162 -7.459 1.00 0.00 C ATOM 583 CD LYS A 37 78.706 8.779 -8.392 1.00 0.00 C ATOM 584 CE LYS A 37 77.334 8.155 -8.103 1.00 0.00 C ATOM 585 NZ LYS A 37 76.372 8.880 -8.983 1.00 0.00 N ATOM 0 H LYS A 37 82.428 7.535 -7.893 1.00 0.00 H new ATOM 0 HA LYS A 37 80.816 5.802 -6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 37 80.185 6.611 -8.901 1.00 0.00 H new ATOM 0 HB3 LYS A 37 79.044 6.133 -7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 37 79.433 8.242 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 37 80.699 8.706 -7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 37 78.664 9.858 -8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 37 78.983 8.608 -9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 37 77.335 7.087 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 37 77.066 8.267 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 75.414 8.503 -8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 76.384 9.894 -8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 76.646 8.750 -9.978 1.00 0.00 H new ATOM 599 N VAL A 38 81.098 3.683 -7.277 1.00 0.00 N ATOM 600 CA VAL A 38 81.483 2.386 -7.899 1.00 0.00 C ATOM 601 C VAL A 38 80.254 1.477 -7.964 1.00 0.00 C ATOM 602 O VAL A 38 79.302 1.665 -7.232 1.00 0.00 O ATOM 603 CB VAL A 38 82.540 1.797 -6.969 1.00 0.00 C ATOM 604 CG1 VAL A 38 82.945 0.414 -7.477 1.00 0.00 C ATOM 605 CG2 VAL A 38 83.766 2.716 -6.948 1.00 0.00 C ATOM 0 H VAL A 38 80.436 3.607 -6.505 1.00 0.00 H new ATOM 0 HA VAL A 38 81.864 2.498 -8.914 1.00 0.00 H new ATOM 0 HB VAL A 38 82.135 1.709 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 38 83.700 -0.010 -6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.071 -0.237 -7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 38 83.353 0.501 -8.484 1.00 0.00 H new ATOM 0 HG21 VAL A 38 84.523 2.298 -6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 38 84.174 2.802 -7.955 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.475 3.703 -6.589 1.00 0.00 H new ATOM 615 N LYS A 39 80.253 0.493 -8.823 1.00 0.00 N ATOM 616 CA LYS A 39 79.068 -0.404 -8.902 1.00 0.00 C ATOM 617 C LYS A 39 79.341 -1.709 -8.139 1.00 0.00 C ATOM 618 O LYS A 39 80.320 -2.393 -8.373 1.00 0.00 O ATOM 619 CB LYS A 39 78.858 -0.677 -10.399 1.00 0.00 C ATOM 620 CG LYS A 39 79.970 -1.606 -10.898 1.00 0.00 C ATOM 621 CD LYS A 39 79.861 -1.830 -12.412 1.00 0.00 C ATOM 622 CE LYS A 39 80.929 -2.846 -12.843 1.00 0.00 C ATOM 623 NZ LYS A 39 80.612 -3.183 -14.259 1.00 0.00 N ATOM 0 H LYS A 39 81.014 0.274 -9.466 1.00 0.00 H new ATOM 0 HA LYS A 39 78.182 0.045 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 39 77.883 -1.134 -10.565 1.00 0.00 H new ATOM 0 HB3 LYS A 39 78.870 0.259 -10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 39 80.943 -1.176 -10.660 1.00 0.00 H new ATOM 0 HG3 LYS A 39 79.909 -2.563 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 39 78.867 -2.197 -12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 39 80.000 -0.888 -12.943 1.00 0.00 H new ATOM 0 HE2 LYS A 39 81.930 -2.424 -12.755 1.00 0.00 H new ATOM 0 HE3 LYS A 39 80.902 -3.735 -12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 81.304 -3.873 -14.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 79.657 -3.591 -14.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 80.654 -2.321 -14.839 1.00 0.00 H new ATOM 637 N MET A 40 78.475 -2.046 -7.221 1.00 0.00 N ATOM 638 CA MET A 40 78.643 -3.291 -6.418 1.00 0.00 C ATOM 639 C MET A 40 77.865 -4.436 -7.068 1.00 0.00 C ATOM 640 O MET A 40 76.689 -4.606 -6.822 1.00 0.00 O ATOM 641 CB MET A 40 78.015 -2.952 -5.069 1.00 0.00 C ATOM 642 CG MET A 40 78.753 -1.773 -4.433 1.00 0.00 C ATOM 643 SD MET A 40 80.462 -2.246 -4.072 1.00 0.00 S ATOM 644 CE MET A 40 80.711 -1.128 -2.671 1.00 0.00 C ATOM 0 H MET A 40 77.644 -1.501 -6.990 1.00 0.00 H new ATOM 0 HA MET A 40 79.685 -3.602 -6.338 1.00 0.00 H new ATOM 0 HB2 MET A 40 76.962 -2.705 -5.200 1.00 0.00 H new ATOM 0 HB3 MET A 40 78.059 -3.819 -4.409 1.00 0.00 H new ATOM 0 HG2 MET A 40 78.737 -0.916 -5.106 1.00 0.00 H new ATOM 0 HG3 MET A 40 78.249 -1.468 -3.516 1.00 0.00 H new ATOM 0 HE1 MET A 40 81.648 -1.374 -2.172 1.00 0.00 H new ATOM 0 HE2 MET A 40 80.749 -0.099 -3.029 1.00 0.00 H new ATOM 0 HE3 MET A 40 79.886 -1.237 -1.967 1.00 0.00 H new ATOM 654 N THR A 41 78.499 -5.239 -7.871 1.00 0.00 N ATOM 655 CA THR A 41 77.762 -6.376 -8.490 1.00 0.00 C ATOM 656 C THR A 41 78.052 -7.653 -7.713 1.00 0.00 C ATOM 657 O THR A 41 77.413 -8.669 -7.896 1.00 0.00 O ATOM 658 CB THR A 41 78.304 -6.488 -9.913 1.00 0.00 C ATOM 659 OG1 THR A 41 79.671 -6.874 -9.865 1.00 0.00 O ATOM 660 CG2 THR A 41 78.177 -5.141 -10.614 1.00 0.00 C ATOM 0 H THR A 41 79.484 -5.161 -8.125 1.00 0.00 H new ATOM 0 HA THR A 41 76.683 -6.222 -8.484 1.00 0.00 H new ATOM 0 HB THR A 41 77.733 -7.235 -10.464 1.00 0.00 H new ATOM 0 HG1 THR A 41 80.022 -6.949 -10.777 1.00 0.00 H new ATOM 0 HG21 THR A 41 78.564 -5.222 -11.630 1.00 0.00 H new ATOM 0 HG22 THR A 41 77.128 -4.846 -10.648 1.00 0.00 H new ATOM 0 HG23 THR A 41 78.748 -4.391 -10.067 1.00 0.00 H new ATOM 668 N THR A 42 79.019 -7.603 -6.850 1.00 0.00 N ATOM 669 CA THR A 42 79.373 -8.805 -6.055 1.00 0.00 C ATOM 670 C THR A 42 79.435 -8.434 -4.572 1.00 0.00 C ATOM 671 O THR A 42 78.470 -8.566 -3.851 1.00 0.00 O ATOM 672 CB THR A 42 80.746 -9.258 -6.591 1.00 0.00 C ATOM 673 OG1 THR A 42 81.458 -9.921 -5.561 1.00 0.00 O ATOM 674 CG2 THR A 42 81.579 -8.065 -7.106 1.00 0.00 C ATOM 0 H THR A 42 79.584 -6.776 -6.659 1.00 0.00 H new ATOM 0 HA THR A 42 78.641 -9.607 -6.146 1.00 0.00 H new ATOM 0 HB THR A 42 80.574 -9.935 -7.428 1.00 0.00 H new ATOM 0 HG1 THR A 42 82.402 -9.661 -5.597 1.00 0.00 H new ATOM 0 HG21 THR A 42 82.539 -8.424 -7.475 1.00 0.00 H new ATOM 0 HG22 THR A 42 81.042 -7.568 -7.914 1.00 0.00 H new ATOM 0 HG23 THR A 42 81.744 -7.359 -6.293 1.00 0.00 H new ATOM 682 N HIS A 43 80.557 -7.956 -4.127 1.00 0.00 N ATOM 683 CA HIS A 43 80.710 -7.542 -2.706 1.00 0.00 C ATOM 684 C HIS A 43 81.336 -6.150 -2.715 1.00 0.00 C ATOM 685 O HIS A 43 81.645 -5.620 -3.764 1.00 0.00 O ATOM 686 CB HIS A 43 81.676 -8.564 -2.092 1.00 0.00 C ATOM 687 CG HIS A 43 81.368 -9.941 -2.622 1.00 0.00 C ATOM 688 ND1 HIS A 43 82.283 -10.658 -3.378 1.00 0.00 N ATOM 689 CD2 HIS A 43 80.262 -10.749 -2.513 1.00 0.00 C ATOM 690 CE1 HIS A 43 81.719 -11.838 -3.689 1.00 0.00 C ATOM 691 NE2 HIS A 43 80.487 -11.946 -3.187 1.00 0.00 N ATOM 0 H HIS A 43 81.393 -7.831 -4.698 1.00 0.00 H new ATOM 0 HA HIS A 43 79.775 -7.510 -2.146 1.00 0.00 H new ATOM 0 HB2 HIS A 43 82.705 -8.294 -2.331 1.00 0.00 H new ATOM 0 HB3 HIS A 43 81.588 -8.554 -1.006 1.00 0.00 H new ATOM 0 HD2 HIS A 43 79.355 -10.494 -1.984 1.00 0.00 H new ATOM 0 HE1 HIS A 43 82.204 -12.605 -4.274 1.00 0.00 H new ATOM 0 HE2 HIS A 43 79.848 -12.736 -3.278 1.00 0.00 H new ATOM 699 N LEU A 44 81.554 -5.554 -1.583 1.00 0.00 N ATOM 700 CA LEU A 44 82.192 -4.206 -1.592 1.00 0.00 C ATOM 701 C LEU A 44 83.670 -4.345 -1.978 1.00 0.00 C ATOM 702 O LEU A 44 84.397 -3.375 -2.045 1.00 0.00 O ATOM 703 CB LEU A 44 82.032 -3.645 -0.174 1.00 0.00 C ATOM 704 CG LEU A 44 82.594 -4.625 0.853 1.00 0.00 C ATOM 705 CD1 LEU A 44 84.040 -4.264 1.159 1.00 0.00 C ATOM 706 CD2 LEU A 44 81.769 -4.530 2.137 1.00 0.00 C ATOM 0 H LEU A 44 81.324 -5.930 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 44 81.731 -3.535 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 44 82.549 -2.689 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 44 80.979 -3.456 0.033 1.00 0.00 H new ATOM 0 HG LEU A 44 82.548 -5.639 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 44 84.442 -4.963 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 44 84.630 -4.318 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 44 84.085 -3.252 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 44 82.164 -5.227 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 44 81.824 -3.515 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 44 80.730 -4.780 1.921 1.00 0.00 H new ATOM 718 N LYS A 45 84.115 -5.550 -2.234 1.00 0.00 N ATOM 719 CA LYS A 45 85.534 -5.759 -2.620 1.00 0.00 C ATOM 720 C LYS A 45 85.859 -5.002 -3.909 1.00 0.00 C ATOM 721 O LYS A 45 86.925 -4.456 -4.060 1.00 0.00 O ATOM 722 CB LYS A 45 85.671 -7.266 -2.842 1.00 0.00 C ATOM 723 CG LYS A 45 85.109 -7.646 -4.217 1.00 0.00 C ATOM 724 CD LYS A 45 85.335 -9.139 -4.460 1.00 0.00 C ATOM 725 CE LYS A 45 86.838 -9.425 -4.508 1.00 0.00 C ATOM 726 NZ LYS A 45 86.947 -10.909 -4.440 1.00 0.00 N ATOM 0 H LYS A 45 83.550 -6.398 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 45 86.220 -5.392 -1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 45 86.719 -7.558 -2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 45 85.138 -7.807 -2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 45 84.045 -7.415 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 45 85.597 -7.061 -4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 45 84.868 -9.723 -3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 45 84.866 -9.441 -5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 45 87.285 -9.037 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 45 87.357 -8.952 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 87.949 -11.185 -4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 86.519 -11.248 -3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 86.449 -11.331 -5.250 1.00 0.00 H new ATOM 740 N LYS A 46 84.948 -4.969 -4.842 1.00 0.00 N ATOM 741 CA LYS A 46 85.222 -4.249 -6.122 1.00 0.00 C ATOM 742 C LYS A 46 85.517 -2.774 -5.848 1.00 0.00 C ATOM 743 O LYS A 46 86.396 -2.183 -6.442 1.00 0.00 O ATOM 744 CB LYS A 46 83.924 -4.366 -6.926 1.00 0.00 C ATOM 745 CG LYS A 46 83.791 -5.769 -7.516 1.00 0.00 C ATOM 746 CD LYS A 46 84.478 -5.802 -8.879 1.00 0.00 C ATOM 747 CE LYS A 46 85.810 -6.533 -8.755 1.00 0.00 C ATOM 748 NZ LYS A 46 85.434 -7.946 -8.482 1.00 0.00 N ATOM 0 H LYS A 46 84.029 -5.407 -4.776 1.00 0.00 H new ATOM 0 HA LYS A 46 86.082 -4.666 -6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 46 83.070 -4.152 -6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 46 83.915 -3.625 -7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 46 84.243 -6.503 -6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 46 82.739 -6.036 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 46 83.841 -6.304 -9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 46 84.640 -4.787 -9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 46 86.396 -6.448 -9.670 1.00 0.00 H new ATOM 0 HE3 LYS A 46 86.416 -6.120 -7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 85.650 -8.177 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 84.416 -8.074 -8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 85.973 -8.576 -9.110 1.00 0.00 H new ATOM 762 N LEU A 47 84.779 -2.177 -4.960 1.00 0.00 N ATOM 763 CA LEU A 47 84.999 -0.739 -4.649 1.00 0.00 C ATOM 764 C LEU A 47 86.348 -0.516 -3.952 1.00 0.00 C ATOM 765 O LEU A 47 87.121 0.347 -4.336 1.00 0.00 O ATOM 766 CB LEU A 47 83.822 -0.383 -3.727 1.00 0.00 C ATOM 767 CG LEU A 47 83.962 1.030 -3.136 1.00 0.00 C ATOM 768 CD1 LEU A 47 84.962 1.004 -1.983 1.00 0.00 C ATOM 769 CD2 LEU A 47 84.435 2.042 -4.184 1.00 0.00 C ATOM 0 H LEU A 47 84.029 -2.624 -4.433 1.00 0.00 H new ATOM 0 HA LEU A 47 85.036 -0.116 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 47 82.889 -0.451 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 47 83.762 -1.111 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 47 82.978 1.340 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 47 85.061 2.006 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 47 84.609 0.321 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 47 85.931 0.667 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 47 84.521 3.027 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.407 1.736 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 47 83.715 2.083 -5.001 1.00 0.00 H new ATOM 781 N LYS A 48 86.644 -1.268 -2.929 1.00 0.00 N ATOM 782 CA LYS A 48 87.937 -1.050 -2.222 1.00 0.00 C ATOM 783 C LYS A 48 89.093 -1.844 -2.846 1.00 0.00 C ATOM 784 O LYS A 48 90.228 -1.440 -2.750 1.00 0.00 O ATOM 785 CB LYS A 48 87.682 -1.464 -0.771 1.00 0.00 C ATOM 786 CG LYS A 48 87.237 -2.926 -0.702 1.00 0.00 C ATOM 787 CD LYS A 48 88.390 -3.776 -0.162 1.00 0.00 C ATOM 788 CE LYS A 48 87.864 -5.140 0.297 1.00 0.00 C ATOM 789 NZ LYS A 48 89.040 -6.054 0.242 1.00 0.00 N ATOM 0 H LYS A 48 86.057 -2.014 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 48 88.251 -0.009 -2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 48 88.589 -1.325 -0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 48 86.917 -0.824 -0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 48 86.364 -3.023 -0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 48 86.943 -3.277 -1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 48 89.147 -3.910 -0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 48 88.872 -3.264 0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 48 87.456 -5.085 1.306 1.00 0.00 H new ATOM 0 HE3 LYS A 48 87.062 -5.491 -0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 88.750 -6.969 -0.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 89.779 -5.633 -0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 89.413 -6.199 1.202 1.00 0.00 H new ATOM 803 N GLU A 49 88.848 -2.951 -3.495 1.00 0.00 N ATOM 804 CA GLU A 49 90.001 -3.686 -4.101 1.00 0.00 C ATOM 805 C GLU A 49 90.579 -2.834 -5.236 1.00 0.00 C ATOM 806 O GLU A 49 91.772 -2.669 -5.355 1.00 0.00 O ATOM 807 CB GLU A 49 89.450 -5.017 -4.633 1.00 0.00 C ATOM 808 CG GLU A 49 88.767 -4.794 -5.984 1.00 0.00 C ATOM 809 CD GLU A 49 88.338 -6.135 -6.578 1.00 0.00 C ATOM 810 OE1 GLU A 49 87.803 -6.947 -5.841 1.00 0.00 O ATOM 811 OE2 GLU A 49 88.554 -6.326 -7.764 1.00 0.00 O ATOM 0 H GLU A 49 87.928 -3.371 -3.631 1.00 0.00 H new ATOM 0 HA GLU A 49 90.796 -3.877 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 49 90.259 -5.739 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 49 88.739 -5.437 -3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 49 87.899 -4.147 -5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 49 89.448 -4.286 -6.666 1.00 0.00 H new ATOM 818 N SER A 50 89.733 -2.262 -6.055 1.00 0.00 N ATOM 819 CA SER A 50 90.244 -1.387 -7.148 1.00 0.00 C ATOM 820 C SER A 50 90.901 -0.172 -6.502 1.00 0.00 C ATOM 821 O SER A 50 91.993 0.224 -6.854 1.00 0.00 O ATOM 822 CB SER A 50 89.005 -0.967 -7.940 1.00 0.00 C ATOM 823 OG SER A 50 88.419 -2.111 -8.549 1.00 0.00 O ATOM 0 H SER A 50 88.719 -2.363 -6.013 1.00 0.00 H new ATOM 0 HA SER A 50 90.973 -1.876 -7.794 1.00 0.00 H new ATOM 0 HB2 SER A 50 88.285 -0.485 -7.279 1.00 0.00 H new ATOM 0 HB3 SER A 50 89.278 -0.236 -8.702 1.00 0.00 H new ATOM 0 HG SER A 50 87.654 -2.410 -8.015 1.00 0.00 H new ATOM 829 N TYR A 51 90.240 0.397 -5.528 1.00 0.00 N ATOM 830 CA TYR A 51 90.812 1.570 -4.807 1.00 0.00 C ATOM 831 C TYR A 51 92.116 1.163 -4.106 1.00 0.00 C ATOM 832 O TYR A 51 93.079 1.901 -4.072 1.00 0.00 O ATOM 833 CB TYR A 51 89.731 1.925 -3.778 1.00 0.00 C ATOM 834 CG TYR A 51 90.193 3.050 -2.882 1.00 0.00 C ATOM 835 CD1 TYR A 51 90.564 4.278 -3.436 1.00 0.00 C ATOM 836 CD2 TYR A 51 90.229 2.868 -1.492 1.00 0.00 C ATOM 837 CE1 TYR A 51 90.977 5.325 -2.604 1.00 0.00 C ATOM 838 CE2 TYR A 51 90.643 3.913 -0.660 1.00 0.00 C ATOM 839 CZ TYR A 51 91.018 5.144 -1.216 1.00 0.00 C ATOM 840 OH TYR A 51 91.428 6.178 -0.397 1.00 0.00 O ATOM 0 H TYR A 51 89.322 0.096 -5.200 1.00 0.00 H new ATOM 0 HA TYR A 51 91.056 2.406 -5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 51 88.815 2.216 -4.292 1.00 0.00 H new ATOM 0 HB3 TYR A 51 89.494 1.048 -3.176 1.00 0.00 H new ATOM 0 HD1 TYR A 51 90.532 4.419 -4.506 1.00 0.00 H new ATOM 0 HD2 TYR A 51 89.937 1.920 -1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 51 91.264 6.274 -3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 51 90.674 3.772 0.410 1.00 0.00 H new ATOM 0 HH TYR A 51 91.397 5.887 0.538 1.00 0.00 H new ATOM 850 N CYS A 52 92.129 -0.009 -3.534 1.00 0.00 N ATOM 851 CA CYS A 52 93.335 -0.507 -2.800 1.00 0.00 C ATOM 852 C CYS A 52 94.413 -1.056 -3.736 1.00 0.00 C ATOM 853 O CYS A 52 95.577 -0.783 -3.576 1.00 0.00 O ATOM 854 CB CYS A 52 92.781 -1.614 -1.918 1.00 0.00 C ATOM 855 SG CYS A 52 91.774 -0.875 -0.610 1.00 0.00 S ATOM 0 H CYS A 52 91.342 -0.657 -3.543 1.00 0.00 H new ATOM 0 HA CYS A 52 93.828 0.293 -2.247 1.00 0.00 H new ATOM 0 HB2 CYS A 52 92.181 -2.303 -2.511 1.00 0.00 H new ATOM 0 HB3 CYS A 52 93.596 -2.193 -1.484 1.00 0.00 H new ATOM 0 HG CYS A 52 90.553 -0.730 -1.032 1.00 0.00 H new ATOM 861 N GLN A 53 94.056 -1.839 -4.694 1.00 0.00 N ATOM 862 CA GLN A 53 95.096 -2.394 -5.598 1.00 0.00 C ATOM 863 C GLN A 53 95.811 -1.276 -6.358 1.00 0.00 C ATOM 864 O GLN A 53 97.017 -1.286 -6.505 1.00 0.00 O ATOM 865 CB GLN A 53 94.336 -3.328 -6.532 1.00 0.00 C ATOM 866 CG GLN A 53 93.999 -4.604 -5.761 1.00 0.00 C ATOM 867 CD GLN A 53 93.480 -5.673 -6.720 1.00 0.00 C ATOM 868 OE1 GLN A 53 92.703 -5.387 -7.610 1.00 0.00 O ATOM 869 NE2 GLN A 53 93.888 -6.902 -6.571 1.00 0.00 N ATOM 0 H GLN A 53 93.098 -2.123 -4.897 1.00 0.00 H new ATOM 0 HA GLN A 53 95.882 -2.923 -5.059 1.00 0.00 H new ATOM 0 HB2 GLN A 53 93.425 -2.849 -6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 53 94.939 -3.562 -7.409 1.00 0.00 H new ATOM 0 HG2 GLN A 53 94.885 -4.969 -5.241 1.00 0.00 H new ATOM 0 HG3 GLN A 53 93.248 -4.391 -5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 53 94.540 -7.136 -5.822 1.00 0.00 H new ATOM 0 HE22 GLN A 53 93.555 -7.630 -7.203 1.00 0.00 H new ATOM 878 N ARG A 54 95.084 -0.310 -6.841 1.00 0.00 N ATOM 879 CA ARG A 54 95.738 0.803 -7.584 1.00 0.00 C ATOM 880 C ARG A 54 96.487 1.737 -6.612 1.00 0.00 C ATOM 881 O ARG A 54 97.365 2.476 -7.011 1.00 0.00 O ATOM 882 CB ARG A 54 94.599 1.517 -8.325 1.00 0.00 C ATOM 883 CG ARG A 54 93.705 2.256 -7.329 1.00 0.00 C ATOM 884 CD ARG A 54 92.393 2.666 -8.013 1.00 0.00 C ATOM 885 NE ARG A 54 92.799 3.545 -9.146 1.00 0.00 N ATOM 886 CZ ARG A 54 92.147 3.504 -10.280 1.00 0.00 C ATOM 887 NH1 ARG A 54 90.840 3.502 -10.291 1.00 0.00 N ATOM 888 NH2 ARG A 54 92.806 3.473 -11.406 1.00 0.00 N ATOM 0 H ARG A 54 94.070 -0.242 -6.755 1.00 0.00 H new ATOM 0 HA ARG A 54 96.494 0.451 -8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 54 95.011 2.221 -9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 54 94.009 0.792 -8.886 1.00 0.00 H new ATOM 0 HG2 ARG A 54 93.495 1.617 -6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 54 94.220 3.139 -6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 54 91.845 1.793 -8.369 1.00 0.00 H new ATOM 0 HD3 ARG A 54 91.737 3.194 -7.321 1.00 0.00 H new ATOM 0 HE ARG A 54 93.589 4.181 -9.037 1.00 0.00 H new ATOM 0 HH11 ARG A 54 90.323 3.533 -9.413 1.00 0.00 H new ATOM 0 HH12 ARG A 54 90.338 3.470 -11.178 1.00 0.00 H new ATOM 0 HH21 ARG A 54 93.826 3.481 -11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 54 92.301 3.441 -12.292 1.00 0.00 H new ATOM 902 N GLN A 55 96.164 1.708 -5.338 1.00 0.00 N ATOM 903 CA GLN A 55 96.889 2.595 -4.367 1.00 0.00 C ATOM 904 C GLN A 55 97.509 1.788 -3.219 1.00 0.00 C ATOM 905 O GLN A 55 98.676 1.929 -2.920 1.00 0.00 O ATOM 906 CB GLN A 55 95.842 3.583 -3.856 1.00 0.00 C ATOM 907 CG GLN A 55 95.576 4.602 -4.963 1.00 0.00 C ATOM 908 CD GLN A 55 94.375 5.468 -4.607 1.00 0.00 C ATOM 909 OE1 GLN A 55 94.524 6.542 -4.060 1.00 0.00 O ATOM 910 NE2 GLN A 55 93.178 5.045 -4.902 1.00 0.00 N ATOM 0 H GLN A 55 95.439 1.116 -4.932 1.00 0.00 H new ATOM 0 HA GLN A 55 97.724 3.109 -4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 55 94.923 3.061 -3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 55 96.197 4.083 -2.955 1.00 0.00 H new ATOM 0 HG2 GLN A 55 96.455 5.230 -5.108 1.00 0.00 H new ATOM 0 HG3 GLN A 55 95.394 4.086 -5.906 1.00 0.00 H new ATOM 0 HE21 GLN A 55 93.055 4.143 -5.361 1.00 0.00 H new ATOM 0 HE22 GLN A 55 92.364 5.616 -4.673 1.00 0.00 H new ATOM 919 N GLY A 56 96.754 0.937 -2.584 1.00 0.00 N ATOM 920 CA GLY A 56 97.329 0.123 -1.474 1.00 0.00 C ATOM 921 C GLY A 56 96.347 -0.978 -1.061 1.00 0.00 C ATOM 922 O GLY A 56 95.225 -0.716 -0.679 1.00 0.00 O ATOM 0 H GLY A 56 95.768 0.769 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 56 98.273 -0.321 -1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 56 97.549 0.763 -0.620 1.00 0.00 H new ATOM 926 N VAL A 57 96.775 -2.209 -1.132 1.00 0.00 N ATOM 927 CA VAL A 57 95.884 -3.352 -0.737 1.00 0.00 C ATOM 928 C VAL A 57 95.835 -3.517 0.802 1.00 0.00 C ATOM 929 O VAL A 57 96.850 -3.498 1.454 1.00 0.00 O ATOM 930 CB VAL A 57 96.498 -4.588 -1.388 1.00 0.00 C ATOM 931 CG1 VAL A 57 97.997 -4.594 -1.142 1.00 0.00 C ATOM 932 CG2 VAL A 57 95.881 -5.839 -0.765 1.00 0.00 C ATOM 0 H VAL A 57 97.707 -2.479 -1.447 1.00 0.00 H new ATOM 0 HA VAL A 57 94.857 -3.186 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 57 96.304 -4.574 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 57 98.438 -5.476 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 57 98.440 -3.697 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 57 98.190 -4.614 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 57 96.315 -6.727 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 57 96.083 -5.850 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 57 94.804 -5.834 -0.931 1.00 0.00 H new ATOM 942 N PRO A 58 94.643 -3.674 1.333 1.00 0.00 N ATOM 943 CA PRO A 58 94.449 -3.839 2.804 1.00 0.00 C ATOM 944 C PRO A 58 95.251 -5.013 3.387 1.00 0.00 C ATOM 945 O PRO A 58 95.554 -5.033 4.563 1.00 0.00 O ATOM 946 CB PRO A 58 92.950 -4.130 2.907 1.00 0.00 C ATOM 947 CG PRO A 58 92.348 -4.140 1.492 1.00 0.00 C ATOM 948 CD PRO A 58 93.421 -3.685 0.504 1.00 0.00 C ATOM 0 HA PRO A 58 94.788 -2.966 3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 58 92.785 -5.091 3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 58 92.460 -3.374 3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 58 91.998 -5.140 1.237 1.00 0.00 H new ATOM 0 HG3 PRO A 58 91.484 -3.478 1.444 1.00 0.00 H new ATOM 0 HD2 PRO A 58 93.510 -4.369 -0.340 1.00 0.00 H new ATOM 0 HD3 PRO A 58 93.201 -2.699 0.093 1.00 0.00 H new ATOM 956 N MET A 59 95.578 -5.999 2.600 1.00 0.00 N ATOM 957 CA MET A 59 96.330 -7.165 3.157 1.00 0.00 C ATOM 958 C MET A 59 97.628 -6.721 3.850 1.00 0.00 C ATOM 959 O MET A 59 98.100 -7.382 4.756 1.00 0.00 O ATOM 960 CB MET A 59 96.665 -8.057 1.956 1.00 0.00 C ATOM 961 CG MET A 59 95.380 -8.609 1.327 1.00 0.00 C ATOM 962 SD MET A 59 94.542 -9.708 2.502 1.00 0.00 S ATOM 963 CE MET A 59 95.302 -11.269 1.977 1.00 0.00 C ATOM 0 H MET A 59 95.361 -6.052 1.605 1.00 0.00 H new ATOM 0 HA MET A 59 95.734 -7.683 3.908 1.00 0.00 H new ATOM 0 HB2 MET A 59 97.224 -7.486 1.215 1.00 0.00 H new ATOM 0 HB3 MET A 59 97.305 -8.880 2.273 1.00 0.00 H new ATOM 0 HG2 MET A 59 94.719 -7.788 1.048 1.00 0.00 H new ATOM 0 HG3 MET A 59 95.617 -9.152 0.412 1.00 0.00 H new ATOM 0 HE1 MET A 59 94.914 -12.085 2.586 1.00 0.00 H new ATOM 0 HE2 MET A 59 95.066 -11.454 0.929 1.00 0.00 H new ATOM 0 HE3 MET A 59 96.383 -11.207 2.100 1.00 0.00 H new ATOM 973 N ASN A 60 98.240 -5.644 3.423 1.00 0.00 N ATOM 974 CA ASN A 60 99.528 -5.246 4.072 1.00 0.00 C ATOM 975 C ASN A 60 99.382 -4.112 5.100 1.00 0.00 C ATOM 976 O ASN A 60 99.986 -4.162 6.153 1.00 0.00 O ATOM 977 CB ASN A 60 100.444 -4.786 2.930 1.00 0.00 C ATOM 978 CG ASN A 60 100.107 -3.348 2.531 1.00 0.00 C ATOM 979 OD1 ASN A 60 100.724 -2.412 3.002 1.00 0.00 O ATOM 980 ND2 ASN A 60 99.150 -3.135 1.685 1.00 0.00 N ATOM 0 H ASN A 60 97.914 -5.036 2.672 1.00 0.00 H new ATOM 0 HA ASN A 60 99.923 -6.094 4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 60 101.487 -4.850 3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 60 100.327 -5.447 2.071 1.00 0.00 H new ATOM 0 HD21 ASN A 60 98.913 -2.181 1.413 1.00 0.00 H new ATOM 0 HD22 ASN A 60 98.633 -3.921 1.291 1.00 0.00 H new ATOM 987 N SER A 61 98.663 -3.055 4.809 1.00 0.00 N ATOM 988 CA SER A 61 98.632 -1.950 5.821 1.00 0.00 C ATOM 989 C SER A 61 97.302 -1.195 5.909 1.00 0.00 C ATOM 990 O SER A 61 97.111 -0.404 6.814 1.00 0.00 O ATOM 991 CB SER A 61 99.730 -1.002 5.353 1.00 0.00 C ATOM 992 OG SER A 61 100.990 -1.641 5.501 1.00 0.00 O ATOM 0 H SER A 61 98.120 -2.910 3.958 1.00 0.00 H new ATOM 0 HA SER A 61 98.770 -2.359 6.822 1.00 0.00 H new ATOM 0 HB2 SER A 61 99.569 -0.725 4.311 1.00 0.00 H new ATOM 0 HB3 SER A 61 99.705 -0.081 5.935 1.00 0.00 H new ATOM 0 HG SER A 61 101.307 -1.946 4.625 1.00 0.00 H new ATOM 998 N LEU A 62 96.386 -1.388 5.010 1.00 0.00 N ATOM 999 CA LEU A 62 95.112 -0.618 5.129 1.00 0.00 C ATOM 1000 C LEU A 62 94.010 -1.486 5.732 1.00 0.00 C ATOM 1001 O LEU A 62 93.777 -2.604 5.318 1.00 0.00 O ATOM 1002 CB LEU A 62 94.735 -0.176 3.709 1.00 0.00 C ATOM 1003 CG LEU A 62 95.751 0.847 3.186 1.00 0.00 C ATOM 1004 CD1 LEU A 62 96.984 0.125 2.647 1.00 0.00 C ATOM 1005 CD2 LEU A 62 95.115 1.674 2.061 1.00 0.00 C ATOM 0 H LEU A 62 96.453 -2.026 4.217 1.00 0.00 H new ATOM 0 HA LEU A 62 95.235 0.241 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 62 94.705 -1.041 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 62 93.736 0.260 3.709 1.00 0.00 H new ATOM 0 HG LEU A 62 96.046 1.506 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 62 97.702 0.857 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 62 97.441 -0.460 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 62 96.691 -0.538 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 62 95.838 2.401 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 62 94.816 1.013 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 62 94.239 2.197 2.445 1.00 0.00 H new ATOM 1017 N ARG A 63 93.325 -0.956 6.704 1.00 0.00 N ATOM 1018 CA ARG A 63 92.214 -1.699 7.357 1.00 0.00 C ATOM 1019 C ARG A 63 90.894 -1.022 6.991 1.00 0.00 C ATOM 1020 O ARG A 63 90.789 0.174 7.082 1.00 0.00 O ATOM 1021 CB ARG A 63 92.506 -1.557 8.853 1.00 0.00 C ATOM 1022 CG ARG A 63 91.393 -2.208 9.665 1.00 0.00 C ATOM 1023 CD ARG A 63 91.639 -3.706 9.768 1.00 0.00 C ATOM 1024 NE ARG A 63 90.293 -4.301 9.601 1.00 0.00 N ATOM 1025 CZ ARG A 63 90.108 -5.254 8.735 1.00 0.00 C ATOM 1026 NH1 ARG A 63 90.691 -6.411 8.899 1.00 0.00 N ATOM 1027 NH2 ARG A 63 89.349 -5.044 7.694 1.00 0.00 N ATOM 0 H ARG A 63 93.491 -0.023 7.080 1.00 0.00 H new ATOM 0 HA ARG A 63 92.140 -2.744 7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 63 93.462 -2.024 9.091 1.00 0.00 H new ATOM 0 HB3 ARG A 63 92.591 -0.503 9.117 1.00 0.00 H new ATOM 0 HG2 ARG A 63 91.352 -1.768 10.661 1.00 0.00 H new ATOM 0 HG3 ARG A 63 90.428 -2.020 9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 63 92.327 -4.052 8.997 1.00 0.00 H new ATOM 0 HD3 ARG A 63 92.078 -3.974 10.729 1.00 0.00 H new ATOM 0 HE ARG A 63 89.512 -3.964 10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 63 91.293 -6.569 9.707 1.00 0.00 H new ATOM 0 HH12 ARG A 63 90.545 -7.157 8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 63 88.904 -4.136 7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 63 89.201 -5.788 7.012 1.00 0.00 H new ATOM 1041 N PHE A 64 89.892 -1.752 6.558 1.00 0.00 N ATOM 1042 CA PHE A 64 88.617 -1.065 6.175 1.00 0.00 C ATOM 1043 C PHE A 64 87.488 -1.225 7.192 1.00 0.00 C ATOM 1044 O PHE A 64 87.016 -2.314 7.506 1.00 0.00 O ATOM 1045 CB PHE A 64 88.176 -1.645 4.835 1.00 0.00 C ATOM 1046 CG PHE A 64 88.943 -0.973 3.734 1.00 0.00 C ATOM 1047 CD1 PHE A 64 90.277 -1.300 3.504 1.00 0.00 C ATOM 1048 CD2 PHE A 64 88.309 0.002 2.954 1.00 0.00 C ATOM 1049 CE1 PHE A 64 90.987 -0.649 2.492 1.00 0.00 C ATOM 1050 CE2 PHE A 64 89.014 0.650 1.939 1.00 0.00 C ATOM 1051 CZ PHE A 64 90.355 0.327 1.708 1.00 0.00 C ATOM 0 H PHE A 64 89.899 -2.767 6.455 1.00 0.00 H new ATOM 0 HA PHE A 64 88.818 0.005 6.127 1.00 0.00 H new ATOM 0 HB2 PHE A 64 88.352 -2.720 4.814 1.00 0.00 H new ATOM 0 HB3 PHE A 64 87.106 -1.495 4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 64 90.761 -2.055 4.106 1.00 0.00 H new ATOM 0 HD2 PHE A 64 87.275 0.252 3.138 1.00 0.00 H new ATOM 0 HE1 PHE A 64 92.023 -0.897 2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 64 88.525 1.399 1.333 1.00 0.00 H new ATOM 0 HZ PHE A 64 90.904 0.829 0.925 1.00 0.00 H new ATOM 1061 N LEU A 65 87.014 -0.103 7.635 1.00 0.00 N ATOM 1062 CA LEU A 65 85.864 -0.051 8.563 1.00 0.00 C ATOM 1063 C LEU A 65 84.673 0.385 7.705 1.00 0.00 C ATOM 1064 O LEU A 65 84.769 1.351 6.974 1.00 0.00 O ATOM 1065 CB LEU A 65 86.274 1.018 9.588 1.00 0.00 C ATOM 1066 CG LEU A 65 85.223 1.135 10.679 1.00 0.00 C ATOM 1067 CD1 LEU A 65 83.996 1.851 10.118 1.00 0.00 C ATOM 1068 CD2 LEU A 65 84.846 -0.260 11.158 1.00 0.00 C ATOM 0 H LEU A 65 87.390 0.811 7.382 1.00 0.00 H new ATOM 0 HA LEU A 65 85.602 -0.978 9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 65 87.237 0.759 10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 65 86.399 1.979 9.090 1.00 0.00 H new ATOM 0 HG LEU A 65 85.615 1.707 11.520 1.00 0.00 H new ATOM 0 HD11 LEU A 65 83.238 1.938 10.896 1.00 0.00 H new ATOM 0 HD12 LEU A 65 84.280 2.846 9.775 1.00 0.00 H new ATOM 0 HD13 LEU A 65 83.593 1.281 9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 65 84.092 -0.184 11.941 1.00 0.00 H new ATOM 0 HD22 LEU A 65 84.446 -0.835 10.323 1.00 0.00 H new ATOM 0 HD23 LEU A 65 85.730 -0.760 11.553 1.00 0.00 H new ATOM 1080 N PHE A 66 83.575 -0.325 7.717 1.00 0.00 N ATOM 1081 CA PHE A 66 82.458 0.089 6.802 1.00 0.00 C ATOM 1082 C PHE A 66 81.286 0.687 7.591 1.00 0.00 C ATOM 1083 O PHE A 66 81.269 1.871 7.860 1.00 0.00 O ATOM 1084 CB PHE A 66 82.096 -1.201 6.055 1.00 0.00 C ATOM 1085 CG PHE A 66 81.452 -0.908 4.717 1.00 0.00 C ATOM 1086 CD1 PHE A 66 80.116 -0.493 4.640 1.00 0.00 C ATOM 1087 CD2 PHE A 66 82.195 -1.091 3.542 1.00 0.00 C ATOM 1088 CE1 PHE A 66 79.527 -0.262 3.388 1.00 0.00 C ATOM 1089 CE2 PHE A 66 81.608 -0.856 2.293 1.00 0.00 C ATOM 1090 CZ PHE A 66 80.273 -0.442 2.217 1.00 0.00 C ATOM 0 H PHE A 66 83.401 -1.146 8.297 1.00 0.00 H new ATOM 0 HA PHE A 66 82.737 0.882 6.108 1.00 0.00 H new ATOM 0 HB2 PHE A 66 82.995 -1.799 5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.416 -1.796 6.664 1.00 0.00 H new ATOM 0 HD1 PHE A 66 79.541 -0.351 5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 66 83.224 -1.414 3.601 1.00 0.00 H new ATOM 0 HE1 PHE A 66 78.496 0.055 3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 66 82.184 -0.994 1.390 1.00 0.00 H new ATOM 0 HZ PHE A 66 79.818 -0.261 1.254 1.00 0.00 H new ATOM 1100 N GLU A 67 80.311 -0.089 7.975 1.00 0.00 N ATOM 1101 CA GLU A 67 79.181 0.498 8.744 1.00 0.00 C ATOM 1102 C GLU A 67 79.692 1.018 10.086 1.00 0.00 C ATOM 1103 O GLU A 67 79.004 1.729 10.790 1.00 0.00 O ATOM 1104 CB GLU A 67 78.184 -0.637 8.959 1.00 0.00 C ATOM 1105 CG GLU A 67 78.827 -1.729 9.813 1.00 0.00 C ATOM 1106 CD GLU A 67 77.785 -2.802 10.133 1.00 0.00 C ATOM 1107 OE1 GLU A 67 76.835 -2.920 9.378 1.00 0.00 O ATOM 1108 OE2 GLU A 67 77.956 -3.489 11.126 1.00 0.00 O ATOM 0 H GLU A 67 80.248 -1.091 7.792 1.00 0.00 H new ATOM 0 HA GLU A 67 78.719 1.333 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 67 77.287 -0.259 9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 67 77.873 -1.048 7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 67 79.670 -2.172 9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 67 79.220 -1.301 10.735 1.00 0.00 H new ATOM 1115 N GLY A 68 80.896 0.665 10.447 1.00 0.00 N ATOM 1116 CA GLY A 68 81.444 1.138 11.744 1.00 0.00 C ATOM 1117 C GLY A 68 82.331 0.057 12.357 1.00 0.00 C ATOM 1118 O GLY A 68 83.097 0.313 13.267 1.00 0.00 O ATOM 0 H GLY A 68 81.520 0.072 9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 68 82.019 2.052 11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 68 80.629 1.382 12.426 1.00 0.00 H new ATOM 1122 N GLN A 69 82.208 -1.159 11.900 1.00 0.00 N ATOM 1123 CA GLN A 69 83.025 -2.255 12.471 1.00 0.00 C ATOM 1124 C GLN A 69 83.915 -2.836 11.377 1.00 0.00 C ATOM 1125 O GLN A 69 83.683 -2.610 10.197 1.00 0.00 O ATOM 1126 CB GLN A 69 82.009 -3.303 12.920 1.00 0.00 C ATOM 1127 CG GLN A 69 81.395 -3.973 11.688 1.00 0.00 C ATOM 1128 CD GLN A 69 80.259 -4.901 12.114 1.00 0.00 C ATOM 1129 OE1 GLN A 69 79.424 -4.530 12.914 1.00 0.00 O ATOM 1130 NE2 GLN A 69 80.188 -6.098 11.606 1.00 0.00 N ATOM 0 H GLN A 69 81.573 -1.437 11.152 1.00 0.00 H new ATOM 0 HA GLN A 69 83.665 -1.924 13.289 1.00 0.00 H new ATOM 0 HB2 GLN A 69 82.493 -4.049 13.550 1.00 0.00 H new ATOM 0 HB3 GLN A 69 81.229 -2.836 13.521 1.00 0.00 H new ATOM 0 HG2 GLN A 69 81.019 -3.215 11.000 1.00 0.00 H new ATOM 0 HG3 GLN A 69 82.158 -4.539 11.153 1.00 0.00 H new ATOM 0 HE21 GLN A 69 80.889 -6.409 10.934 1.00 0.00 H new ATOM 0 HE22 GLN A 69 79.431 -6.724 11.880 1.00 0.00 H new ATOM 1139 N ARG A 70 84.912 -3.584 11.735 1.00 0.00 N ATOM 1140 CA ARG A 70 85.770 -4.172 10.683 1.00 0.00 C ATOM 1141 C ARG A 70 84.887 -5.036 9.782 1.00 0.00 C ATOM 1142 O ARG A 70 84.145 -5.869 10.257 1.00 0.00 O ATOM 1143 CB ARG A 70 86.770 -5.040 11.435 1.00 0.00 C ATOM 1144 CG ARG A 70 87.863 -5.476 10.470 1.00 0.00 C ATOM 1145 CD ARG A 70 87.583 -6.899 9.987 1.00 0.00 C ATOM 1146 NE ARG A 70 88.277 -7.782 10.966 1.00 0.00 N ATOM 1147 CZ ARG A 70 87.955 -9.043 11.050 1.00 0.00 C ATOM 1148 NH1 ARG A 70 86.800 -9.392 11.546 1.00 0.00 N ATOM 1149 NH2 ARG A 70 88.790 -9.954 10.638 1.00 0.00 N ATOM 0 H ARG A 70 85.167 -3.811 12.696 1.00 0.00 H new ATOM 0 HA ARG A 70 86.274 -3.430 10.064 1.00 0.00 H new ATOM 0 HB2 ARG A 70 87.201 -4.484 12.268 1.00 0.00 H new ATOM 0 HB3 ARG A 70 86.270 -5.911 11.858 1.00 0.00 H new ATOM 0 HG2 ARG A 70 87.905 -4.794 9.620 1.00 0.00 H new ATOM 0 HG3 ARG A 70 88.835 -5.433 10.962 1.00 0.00 H new ATOM 0 HD2 ARG A 70 86.513 -7.103 9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 70 87.962 -7.055 8.977 1.00 0.00 H new ATOM 0 HE ARG A 70 89.004 -7.400 11.571 1.00 0.00 H new ATOM 0 HH11 ARG A 70 86.147 -8.678 11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 70 86.550 -10.379 11.611 1.00 0.00 H new ATOM 0 HH21 ARG A 70 89.693 -9.680 10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 70 88.541 -10.941 10.703 1.00 0.00 H new ATOM 1163 N ILE A 71 84.923 -4.826 8.495 1.00 0.00 N ATOM 1164 CA ILE A 71 84.026 -5.636 7.601 1.00 0.00 C ATOM 1165 C ILE A 71 84.794 -6.471 6.565 1.00 0.00 C ATOM 1166 O ILE A 71 85.929 -6.199 6.234 1.00 0.00 O ATOM 1167 CB ILE A 71 83.213 -4.598 6.852 1.00 0.00 C ATOM 1168 CG1 ILE A 71 84.193 -3.727 6.068 1.00 0.00 C ATOM 1169 CG2 ILE A 71 82.420 -3.747 7.848 1.00 0.00 C ATOM 1170 CD1 ILE A 71 83.683 -3.534 4.640 1.00 0.00 C ATOM 0 H ILE A 71 85.519 -4.145 8.024 1.00 0.00 H new ATOM 0 HA ILE A 71 83.445 -6.341 8.196 1.00 0.00 H new ATOM 0 HB ILE A 71 82.504 -5.072 6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 71 84.307 -2.760 6.558 1.00 0.00 H new ATOM 0 HG13 ILE A 71 85.178 -4.194 6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 71 81.837 -3.002 7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 71 81.749 -4.387 8.420 1.00 0.00 H new ATOM 0 HG23 ILE A 71 83.109 -3.245 8.527 1.00 0.00 H new ATOM 0 HD11 ILE A 71 84.385 -2.912 4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 71 83.592 -4.504 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 71 82.708 -3.048 4.665 1.00 0.00 H new ATOM 1182 N ALA A 72 84.127 -7.459 6.013 1.00 0.00 N ATOM 1183 CA ALA A 72 84.734 -8.310 4.941 1.00 0.00 C ATOM 1184 C ALA A 72 84.204 -7.820 3.585 1.00 0.00 C ATOM 1185 O ALA A 72 83.298 -7.015 3.533 1.00 0.00 O ATOM 1186 CB ALA A 72 84.233 -9.729 5.220 1.00 0.00 C ATOM 0 H ALA A 72 83.172 -7.714 6.265 1.00 0.00 H new ATOM 0 HA ALA A 72 85.823 -8.270 4.925 1.00 0.00 H new ATOM 0 HB1 ALA A 72 84.638 -10.411 4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 72 84.560 -10.042 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 72 83.144 -9.746 5.175 1.00 0.00 H new ATOM 1192 N ASP A 73 84.746 -8.276 2.488 1.00 0.00 N ATOM 1193 CA ASP A 73 84.241 -7.796 1.170 1.00 0.00 C ATOM 1194 C ASP A 73 83.588 -8.940 0.380 1.00 0.00 C ATOM 1195 O ASP A 73 83.824 -9.096 -0.801 1.00 0.00 O ATOM 1196 CB ASP A 73 85.475 -7.266 0.442 1.00 0.00 C ATOM 1197 CG ASP A 73 86.471 -8.407 0.232 1.00 0.00 C ATOM 1198 OD1 ASP A 73 86.133 -9.530 0.568 1.00 0.00 O ATOM 1199 OD2 ASP A 73 87.555 -8.139 -0.259 1.00 0.00 O ATOM 0 H ASP A 73 85.508 -8.953 2.447 1.00 0.00 H new ATOM 0 HA ASP A 73 83.474 -7.030 1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 73 85.188 -6.838 -0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 73 85.937 -6.467 1.022 1.00 0.00 H new ATOM 1204 N ASN A 74 82.777 -9.745 1.016 1.00 0.00 N ATOM 1205 CA ASN A 74 82.123 -10.871 0.281 1.00 0.00 C ATOM 1206 C ASN A 74 80.598 -10.878 0.499 1.00 0.00 C ATOM 1207 O ASN A 74 79.976 -11.923 0.490 1.00 0.00 O ATOM 1208 CB ASN A 74 82.753 -12.148 0.843 1.00 0.00 C ATOM 1209 CG ASN A 74 82.353 -12.332 2.307 1.00 0.00 C ATOM 1210 OD1 ASN A 74 81.216 -12.115 2.672 1.00 0.00 O ATOM 1211 ND2 ASN A 74 83.251 -12.728 3.167 1.00 0.00 N ATOM 0 H ASN A 74 82.540 -9.673 2.005 1.00 0.00 H new ATOM 0 HA ASN A 74 82.275 -10.779 -0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 74 82.430 -13.010 0.259 1.00 0.00 H new ATOM 0 HB3 ASN A 74 83.838 -12.095 0.759 1.00 0.00 H new ATOM 0 HD21 ASN A 74 82.998 -12.855 4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 74 84.206 -12.910 2.859 1.00 0.00 H new ATOM 1218 N HIS A 75 79.983 -9.735 0.698 1.00 0.00 N ATOM 1219 CA HIS A 75 78.499 -9.720 0.915 1.00 0.00 C ATOM 1220 C HIS A 75 77.838 -8.516 0.225 1.00 0.00 C ATOM 1221 O HIS A 75 78.481 -7.536 -0.095 1.00 0.00 O ATOM 1222 CB HIS A 75 78.318 -9.651 2.435 1.00 0.00 C ATOM 1223 CG HIS A 75 79.207 -8.581 3.012 1.00 0.00 C ATOM 1224 ND1 HIS A 75 78.733 -7.330 3.374 1.00 0.00 N ATOM 1225 CD2 HIS A 75 80.548 -8.572 3.302 1.00 0.00 C ATOM 1226 CE1 HIS A 75 79.776 -6.628 3.857 1.00 0.00 C ATOM 1227 NE2 HIS A 75 80.906 -7.339 3.834 1.00 0.00 N ATOM 0 H HIS A 75 80.437 -8.822 0.720 1.00 0.00 H new ATOM 0 HA HIS A 75 78.023 -10.602 0.486 1.00 0.00 H new ATOM 0 HB2 HIS A 75 77.276 -9.439 2.676 1.00 0.00 H new ATOM 0 HB3 HIS A 75 78.559 -10.615 2.882 1.00 0.00 H new ATOM 0 HD2 HIS A 75 81.224 -9.399 3.141 1.00 0.00 H new ATOM 0 HE1 HIS A 75 79.707 -5.613 4.219 1.00 0.00 H new ATOM 0 HE2 HIS A 75 81.832 -7.041 4.141 1.00 0.00 H new ATOM 1235 N THR A 76 76.550 -8.595 -0.012 1.00 0.00 N ATOM 1236 CA THR A 76 75.837 -7.465 -0.689 1.00 0.00 C ATOM 1237 C THR A 76 74.601 -6.974 0.113 1.00 0.00 C ATOM 1238 O THR A 76 74.559 -5.826 0.504 1.00 0.00 O ATOM 1239 CB THR A 76 75.440 -8.009 -2.069 1.00 0.00 C ATOM 1240 OG1 THR A 76 76.510 -7.794 -2.971 1.00 0.00 O ATOM 1241 CG2 THR A 76 74.191 -7.292 -2.598 1.00 0.00 C ATOM 0 H THR A 76 75.962 -9.392 0.234 1.00 0.00 H new ATOM 0 HA THR A 76 76.478 -6.587 -0.766 1.00 0.00 H new ATOM 0 HB THR A 76 75.221 -9.073 -1.978 1.00 0.00 H new ATOM 0 HG1 THR A 76 77.130 -8.552 -2.929 1.00 0.00 H new ATOM 0 HG21 THR A 76 73.928 -7.693 -3.577 1.00 0.00 H new ATOM 0 HG22 THR A 76 73.362 -7.448 -1.907 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.394 -6.225 -2.686 1.00 0.00 H new ATOM 1249 N PRO A 77 73.611 -7.821 0.316 1.00 0.00 N ATOM 1250 CA PRO A 77 72.391 -7.385 1.051 1.00 0.00 C ATOM 1251 C PRO A 77 72.672 -6.977 2.508 1.00 0.00 C ATOM 1252 O PRO A 77 71.989 -6.136 3.057 1.00 0.00 O ATOM 1253 CB PRO A 77 71.512 -8.638 1.020 1.00 0.00 C ATOM 1254 CG PRO A 77 72.267 -9.759 0.287 1.00 0.00 C ATOM 1255 CD PRO A 77 73.631 -9.228 -0.163 1.00 0.00 C ATOM 0 HA PRO A 77 71.944 -6.500 0.598 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.266 -8.951 2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 77 70.570 -8.425 0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 77 72.396 -10.619 0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 77 71.692 -10.099 -0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.451 -9.794 0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 77 73.750 -9.285 -1.245 1.00 0.00 H new ATOM 1263 N LYS A 78 73.623 -7.590 3.162 1.00 0.00 N ATOM 1264 CA LYS A 78 73.865 -7.246 4.602 1.00 0.00 C ATOM 1265 C LYS A 78 74.299 -5.787 4.808 1.00 0.00 C ATOM 1266 O LYS A 78 73.539 -4.977 5.301 1.00 0.00 O ATOM 1267 CB LYS A 78 74.973 -8.189 5.055 1.00 0.00 C ATOM 1268 CG LYS A 78 75.141 -8.079 6.572 1.00 0.00 C ATOM 1269 CD LYS A 78 76.226 -9.051 7.034 1.00 0.00 C ATOM 1270 CE LYS A 78 77.573 -8.330 7.050 1.00 0.00 C ATOM 1271 NZ LYS A 78 78.506 -9.266 7.740 1.00 0.00 N ATOM 0 H LYS A 78 74.237 -8.305 2.772 1.00 0.00 H new ATOM 0 HA LYS A 78 72.945 -7.356 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 78 74.729 -9.215 4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 78 75.908 -7.937 4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 78 75.410 -7.059 6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 78 74.198 -8.305 7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 78 75.991 -9.431 8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 78 76.268 -9.911 6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 78 77.914 -8.108 6.039 1.00 0.00 H new ATOM 0 HE3 LYS A 78 77.505 -7.379 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 79.453 -8.839 7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 78.161 -9.454 8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 78.556 -10.159 7.210 1.00 0.00 H new ATOM 1285 N GLU A 79 75.513 -5.442 4.464 1.00 0.00 N ATOM 1286 CA GLU A 79 75.968 -4.030 4.684 1.00 0.00 C ATOM 1287 C GLU A 79 76.235 -3.319 3.356 1.00 0.00 C ATOM 1288 O GLU A 79 76.806 -2.247 3.324 1.00 0.00 O ATOM 1289 CB GLU A 79 77.271 -4.138 5.480 1.00 0.00 C ATOM 1290 CG GLU A 79 77.026 -4.892 6.787 1.00 0.00 C ATOM 1291 CD GLU A 79 78.280 -4.820 7.662 1.00 0.00 C ATOM 1292 OE1 GLU A 79 79.162 -4.042 7.337 1.00 0.00 O ATOM 1293 OE2 GLU A 79 78.338 -5.547 8.641 1.00 0.00 O ATOM 0 H GLU A 79 76.203 -6.065 4.045 1.00 0.00 H new ATOM 0 HA GLU A 79 75.205 -3.452 5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 79 78.026 -4.656 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 79 77.660 -3.142 5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 79 76.176 -4.459 7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 79 76.775 -5.932 6.578 1.00 0.00 H new ATOM 1300 N LEU A 80 75.848 -3.897 2.259 1.00 0.00 N ATOM 1301 CA LEU A 80 76.111 -3.230 0.955 1.00 0.00 C ATOM 1302 C LEU A 80 74.805 -2.853 0.257 1.00 0.00 C ATOM 1303 O LEU A 80 74.766 -2.656 -0.941 1.00 0.00 O ATOM 1304 CB LEU A 80 76.890 -4.252 0.133 1.00 0.00 C ATOM 1305 CG LEU A 80 78.354 -4.237 0.548 1.00 0.00 C ATOM 1306 CD1 LEU A 80 78.512 -4.881 1.924 1.00 0.00 C ATOM 1307 CD2 LEU A 80 79.164 -5.032 -0.470 1.00 0.00 C ATOM 0 H LEU A 80 75.365 -4.794 2.205 1.00 0.00 H new ATOM 0 HA LEU A 80 76.666 -2.301 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.471 -5.247 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 80 76.801 -4.023 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 80 78.708 -3.207 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 80 79.563 -4.866 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 80 77.926 -4.325 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 80 78.160 -5.912 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 80 80.215 -5.028 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 80 78.801 -6.059 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 80 79.056 -4.578 -1.455 1.00 0.00 H new ATOM 1319 N GLY A 81 73.735 -2.746 0.994 1.00 0.00 N ATOM 1320 CA GLY A 81 72.434 -2.379 0.368 1.00 0.00 C ATOM 1321 C GLY A 81 72.331 -0.855 0.220 1.00 0.00 C ATOM 1322 O GLY A 81 71.262 -0.321 0.003 1.00 0.00 O ATOM 0 H GLY A 81 73.705 -2.897 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 81 72.345 -2.854 -0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 81 71.611 -2.749 0.979 1.00 0.00 H new ATOM 1326 N MET A 82 73.427 -0.146 0.337 1.00 0.00 N ATOM 1327 CA MET A 82 73.365 1.343 0.204 1.00 0.00 C ATOM 1328 C MET A 82 73.565 1.769 -1.257 1.00 0.00 C ATOM 1329 O MET A 82 74.478 1.330 -1.928 1.00 0.00 O ATOM 1330 CB MET A 82 74.511 1.872 1.075 1.00 0.00 C ATOM 1331 CG MET A 82 74.222 1.572 2.548 1.00 0.00 C ATOM 1332 SD MET A 82 73.413 3.000 3.318 1.00 0.00 S ATOM 1333 CE MET A 82 74.873 4.065 3.465 1.00 0.00 C ATOM 0 H MET A 82 74.355 -0.530 0.517 1.00 0.00 H new ATOM 0 HA MET A 82 72.397 1.736 0.515 1.00 0.00 H new ATOM 0 HB2 MET A 82 75.451 1.407 0.777 1.00 0.00 H new ATOM 0 HB3 MET A 82 74.626 2.946 0.929 1.00 0.00 H new ATOM 0 HG2 MET A 82 73.584 0.692 2.631 1.00 0.00 H new ATOM 0 HG3 MET A 82 75.150 1.343 3.071 1.00 0.00 H new ATOM 0 HE1 MET A 82 75.139 4.175 4.516 1.00 0.00 H new ATOM 0 HE2 MET A 82 75.707 3.616 2.925 1.00 0.00 H new ATOM 0 HE3 MET A 82 74.653 5.045 3.042 1.00 0.00 H new ATOM 1343 N GLU A 83 72.709 2.628 -1.746 1.00 0.00 N ATOM 1344 CA GLU A 83 72.823 3.106 -3.154 1.00 0.00 C ATOM 1345 C GLU A 83 73.119 4.607 -3.183 1.00 0.00 C ATOM 1346 O GLU A 83 72.513 5.380 -2.475 1.00 0.00 O ATOM 1347 CB GLU A 83 71.451 2.836 -3.768 1.00 0.00 C ATOM 1348 CG GLU A 83 70.373 3.417 -2.850 1.00 0.00 C ATOM 1349 CD GLU A 83 69.161 3.849 -3.676 1.00 0.00 C ATOM 1350 OE1 GLU A 83 68.892 3.212 -4.681 1.00 0.00 O ATOM 1351 OE2 GLU A 83 68.520 4.811 -3.283 1.00 0.00 O ATOM 0 H GLU A 83 71.927 3.022 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 83 73.628 2.607 -3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 83 71.386 3.287 -4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 83 71.300 1.764 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 83 70.074 2.674 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 83 70.772 4.270 -2.301 1.00 0.00 H new ATOM 1358 N GLU A 84 74.047 5.010 -4.002 1.00 0.00 N ATOM 1359 CA GLU A 84 74.419 6.458 -4.124 1.00 0.00 C ATOM 1360 C GLU A 84 75.088 7.003 -2.846 1.00 0.00 C ATOM 1361 O GLU A 84 75.682 8.060 -2.870 1.00 0.00 O ATOM 1362 CB GLU A 84 73.105 7.200 -4.401 1.00 0.00 C ATOM 1363 CG GLU A 84 72.516 6.735 -5.736 1.00 0.00 C ATOM 1364 CD GLU A 84 71.393 7.692 -6.152 1.00 0.00 C ATOM 1365 OE1 GLU A 84 70.475 7.873 -5.369 1.00 0.00 O ATOM 1366 OE2 GLU A 84 71.471 8.228 -7.245 1.00 0.00 O ATOM 0 H GLU A 84 74.579 4.387 -4.609 1.00 0.00 H new ATOM 0 HA GLU A 84 75.151 6.598 -4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 84 72.395 7.013 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 84 73.283 8.275 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 84 73.292 6.711 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 84 72.129 5.720 -5.643 1.00 0.00 H new ATOM 1373 N GLU A 85 75.013 6.306 -1.739 1.00 0.00 N ATOM 1374 CA GLU A 85 75.659 6.816 -0.493 1.00 0.00 C ATOM 1375 C GLU A 85 76.353 5.676 0.260 1.00 0.00 C ATOM 1376 O GLU A 85 75.713 4.892 0.935 1.00 0.00 O ATOM 1377 CB GLU A 85 74.513 7.356 0.362 1.00 0.00 C ATOM 1378 CG GLU A 85 73.840 8.542 -0.326 1.00 0.00 C ATOM 1379 CD GLU A 85 72.612 8.946 0.490 1.00 0.00 C ATOM 1380 OE1 GLU A 85 72.277 8.220 1.414 1.00 0.00 O ATOM 1381 OE2 GLU A 85 72.026 9.969 0.181 1.00 0.00 O ATOM 0 H GLU A 85 74.534 5.410 -1.646 1.00 0.00 H new ATOM 0 HA GLU A 85 76.412 7.572 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 85 73.781 6.568 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 85 74.893 7.662 1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 85 74.535 9.378 -0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 85 73.548 8.275 -1.342 1.00 0.00 H new ATOM 1388 N ASP A 86 77.649 5.587 0.174 1.00 0.00 N ATOM 1389 CA ASP A 86 78.371 4.509 0.909 1.00 0.00 C ATOM 1390 C ASP A 86 79.588 5.123 1.603 1.00 0.00 C ATOM 1391 O ASP A 86 80.237 5.995 1.062 1.00 0.00 O ATOM 1392 CB ASP A 86 78.804 3.512 -0.167 1.00 0.00 C ATOM 1393 CG ASP A 86 79.201 2.189 0.491 1.00 0.00 C ATOM 1394 OD1 ASP A 86 79.262 2.149 1.708 1.00 0.00 O ATOM 1395 OD2 ASP A 86 79.425 1.234 -0.235 1.00 0.00 O ATOM 0 H ASP A 86 78.241 6.213 -0.372 1.00 0.00 H new ATOM 0 HA ASP A 86 77.761 4.024 1.671 1.00 0.00 H new ATOM 0 HB2 ASP A 86 77.991 3.349 -0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 86 79.644 3.915 -0.734 1.00 0.00 H new ATOM 1400 N VAL A 87 79.901 4.703 2.795 1.00 0.00 N ATOM 1401 CA VAL A 87 81.076 5.309 3.489 1.00 0.00 C ATOM 1402 C VAL A 87 81.939 4.253 4.164 1.00 0.00 C ATOM 1403 O VAL A 87 81.450 3.325 4.776 1.00 0.00 O ATOM 1404 CB VAL A 87 80.492 6.220 4.563 1.00 0.00 C ATOM 1405 CG1 VAL A 87 79.787 5.361 5.616 1.00 0.00 C ATOM 1406 CG2 VAL A 87 81.628 6.997 5.239 1.00 0.00 C ATOM 0 H VAL A 87 79.405 3.979 3.315 1.00 0.00 H new ATOM 0 HA VAL A 87 81.708 5.835 2.773 1.00 0.00 H new ATOM 0 HB VAL A 87 79.785 6.915 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 87 79.366 6.005 6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 87 78.987 4.790 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 87 80.505 4.676 6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 87 81.215 7.650 6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 87 82.327 6.296 5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 87 82.151 7.598 4.495 1.00 0.00 H new ATOM 1416 N ILE A 88 83.226 4.414 4.092 1.00 0.00 N ATOM 1417 CA ILE A 88 84.133 3.453 4.767 1.00 0.00 C ATOM 1418 C ILE A 88 85.279 4.206 5.446 1.00 0.00 C ATOM 1419 O ILE A 88 85.805 5.161 4.914 1.00 0.00 O ATOM 1420 CB ILE A 88 84.684 2.540 3.674 1.00 0.00 C ATOM 1421 CG1 ILE A 88 83.587 1.599 3.174 1.00 0.00 C ATOM 1422 CG2 ILE A 88 85.835 1.719 4.256 1.00 0.00 C ATOM 1423 CD1 ILE A 88 83.411 1.760 1.664 1.00 0.00 C ATOM 0 H ILE A 88 83.691 5.173 3.593 1.00 0.00 H new ATOM 0 HA ILE A 88 83.608 2.882 5.533 1.00 0.00 H new ATOM 0 HB ILE A 88 85.038 3.143 2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 88 83.846 0.567 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 88 82.648 1.817 3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 88 86.239 1.062 3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 88 86.619 2.390 4.608 1.00 0.00 H new ATOM 0 HG23 ILE A 88 85.469 1.119 5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 88 82.628 1.087 1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 88 83.132 2.789 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 88 84.347 1.519 1.161 1.00 0.00 H new ATOM 1435 N GLU A 89 85.696 3.763 6.593 1.00 0.00 N ATOM 1436 CA GLU A 89 86.845 4.425 7.270 1.00 0.00 C ATOM 1437 C GLU A 89 87.982 3.427 7.291 1.00 0.00 C ATOM 1438 O GLU A 89 87.796 2.283 7.640 1.00 0.00 O ATOM 1439 CB GLU A 89 86.394 4.748 8.695 1.00 0.00 C ATOM 1440 CG GLU A 89 85.288 5.800 8.659 1.00 0.00 C ATOM 1441 CD GLU A 89 84.862 6.154 10.085 1.00 0.00 C ATOM 1442 OE1 GLU A 89 84.838 5.261 10.915 1.00 0.00 O ATOM 1443 OE2 GLU A 89 84.567 7.314 10.320 1.00 0.00 O ATOM 0 H GLU A 89 85.293 2.971 7.094 1.00 0.00 H new ATOM 0 HA GLU A 89 87.167 5.337 6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 89 86.034 3.844 9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 89 87.238 5.114 9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 89 85.640 6.693 8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 89 84.433 5.423 8.097 1.00 0.00 H new ATOM 1450 N VAL A 90 89.150 3.812 6.899 1.00 0.00 N ATOM 1451 CA VAL A 90 90.241 2.812 6.895 1.00 0.00 C ATOM 1452 C VAL A 90 91.369 3.220 7.831 1.00 0.00 C ATOM 1453 O VAL A 90 91.755 4.370 7.908 1.00 0.00 O ATOM 1454 CB VAL A 90 90.754 2.709 5.446 1.00 0.00 C ATOM 1455 CG1 VAL A 90 90.076 1.547 4.728 1.00 0.00 C ATOM 1456 CG2 VAL A 90 90.453 3.987 4.675 1.00 0.00 C ATOM 0 H VAL A 90 89.398 4.751 6.587 1.00 0.00 H new ATOM 0 HA VAL A 90 89.871 1.850 7.249 1.00 0.00 H new ATOM 0 HB VAL A 90 91.832 2.550 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 90 90.447 1.485 3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 90 90.298 0.617 5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 90 88.998 1.707 4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 90 90.824 3.892 3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 90 89.376 4.155 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 90 90.943 4.830 5.162 1.00 0.00 H new ATOM 1466 N TYR A 91 91.910 2.265 8.526 1.00 0.00 N ATOM 1467 CA TYR A 91 93.035 2.556 9.445 1.00 0.00 C ATOM 1468 C TYR A 91 94.323 2.135 8.747 1.00 0.00 C ATOM 1469 O TYR A 91 94.664 0.971 8.692 1.00 0.00 O ATOM 1470 CB TYR A 91 92.759 1.703 10.686 1.00 0.00 C ATOM 1471 CG TYR A 91 91.348 1.966 11.157 1.00 0.00 C ATOM 1472 CD1 TYR A 91 90.925 3.278 11.388 1.00 0.00 C ATOM 1473 CD2 TYR A 91 90.457 0.900 11.347 1.00 0.00 C ATOM 1474 CE1 TYR A 91 89.618 3.529 11.811 1.00 0.00 C ATOM 1475 CE2 TYR A 91 89.148 1.152 11.770 1.00 0.00 C ATOM 1476 CZ TYR A 91 88.728 2.465 12.002 1.00 0.00 C ATOM 1477 OH TYR A 91 87.437 2.713 12.421 1.00 0.00 O ATOM 0 H TYR A 91 91.618 1.288 8.496 1.00 0.00 H new ATOM 0 HA TYR A 91 93.132 3.607 9.718 1.00 0.00 H new ATOM 0 HB2 TYR A 91 92.888 0.646 10.453 1.00 0.00 H new ATOM 0 HB3 TYR A 91 93.471 1.944 11.475 1.00 0.00 H new ATOM 0 HD1 TYR A 91 91.610 4.099 11.239 1.00 0.00 H new ATOM 0 HD2 TYR A 91 90.781 -0.114 11.167 1.00 0.00 H new ATOM 0 HE1 TYR A 91 89.294 4.543 11.991 1.00 0.00 H new ATOM 0 HE2 TYR A 91 88.461 0.332 11.918 1.00 0.00 H new ATOM 0 HH TYR A 91 87.150 3.592 12.095 1.00 0.00 H new ATOM 1487 N GLN A 92 95.011 3.073 8.169 1.00 0.00 N ATOM 1488 CA GLN A 92 96.254 2.733 7.418 1.00 0.00 C ATOM 1489 C GLN A 92 97.508 3.045 8.243 1.00 0.00 C ATOM 1490 O GLN A 92 97.613 4.086 8.861 1.00 0.00 O ATOM 1491 CB GLN A 92 96.209 3.638 6.186 1.00 0.00 C ATOM 1492 CG GLN A 92 94.945 3.354 5.368 1.00 0.00 C ATOM 1493 CD GLN A 92 94.969 4.204 4.094 1.00 0.00 C ATOM 1494 OE1 GLN A 92 96.026 4.543 3.601 1.00 0.00 O ATOM 1495 NE2 GLN A 92 93.846 4.564 3.533 1.00 0.00 N ATOM 0 H GLN A 92 94.769 4.064 8.182 1.00 0.00 H new ATOM 0 HA GLN A 92 96.301 1.672 7.173 1.00 0.00 H new ATOM 0 HB2 GLN A 92 96.225 4.684 6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 92 97.094 3.472 5.571 1.00 0.00 H new ATOM 0 HG2 GLN A 92 94.893 2.296 5.113 1.00 0.00 H new ATOM 0 HG3 GLN A 92 94.057 3.584 5.957 1.00 0.00 H new ATOM 0 HE21 GLN A 92 92.957 4.281 3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 92 93.858 5.128 2.683 1.00 0.00 H new ATOM 1504 N GLU A 93 98.476 2.161 8.239 1.00 0.00 N ATOM 1505 CA GLU A 93 99.728 2.434 9.001 1.00 0.00 C ATOM 1506 C GLU A 93 100.823 2.925 8.046 1.00 0.00 C ATOM 1507 O GLU A 93 101.895 3.315 8.464 1.00 0.00 O ATOM 1508 CB GLU A 93 100.120 1.102 9.643 1.00 0.00 C ATOM 1509 CG GLU A 93 99.065 0.705 10.676 1.00 0.00 C ATOM 1510 CD GLU A 93 99.423 -0.659 11.267 1.00 0.00 C ATOM 1511 OE1 GLU A 93 100.363 -1.265 10.780 1.00 0.00 O ATOM 1512 OE2 GLU A 93 98.753 -1.074 12.198 1.00 0.00 O ATOM 0 H GLU A 93 98.452 1.269 7.744 1.00 0.00 H new ATOM 0 HA GLU A 93 99.590 3.209 9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 93 100.206 0.329 8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 93 101.096 1.189 10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 93 99.013 1.454 11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 93 98.080 0.665 10.210 1.00 0.00 H new ATOM 1519 N GLN A 94 100.553 2.915 6.768 1.00 0.00 N ATOM 1520 CA GLN A 94 101.565 3.384 5.778 1.00 0.00 C ATOM 1521 C GLN A 94 100.970 4.501 4.914 1.00 0.00 C ATOM 1522 O GLN A 94 99.770 4.598 4.747 1.00 0.00 O ATOM 1523 CB GLN A 94 101.889 2.150 4.932 1.00 0.00 C ATOM 1524 CG GLN A 94 102.655 1.132 5.784 1.00 0.00 C ATOM 1525 CD GLN A 94 104.009 1.720 6.202 1.00 0.00 C ATOM 1526 OE1 GLN A 94 104.575 2.634 5.459 1.00 0.00 O flip ATOM 1527 NE2 GLN A 94 104.559 1.342 7.218 1.00 0.00 N flip ATOM 0 H GLN A 94 99.670 2.600 6.365 1.00 0.00 H new ATOM 0 HA GLN A 94 102.458 3.793 6.251 1.00 0.00 H new ATOM 0 HB2 GLN A 94 100.969 1.704 4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 94 102.485 2.436 4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 94 102.073 0.872 6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 94 102.806 0.212 5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 94 104.120 0.629 7.800 1.00 0.00 H new ATOM 0 HE22 GLN A 94 105.459 1.738 7.488 1.00 0.00 H new ATOM 1536 N THR A 95 101.801 5.347 4.370 1.00 0.00 N ATOM 1537 CA THR A 95 101.293 6.462 3.519 1.00 0.00 C ATOM 1538 C THR A 95 102.108 6.548 2.225 1.00 0.00 C ATOM 1539 O THR A 95 103.320 6.482 2.241 1.00 0.00 O ATOM 1540 CB THR A 95 101.494 7.721 4.369 1.00 0.00 C ATOM 1541 OG1 THR A 95 100.990 8.853 3.673 1.00 0.00 O ATOM 1542 CG2 THR A 95 102.985 7.919 4.660 1.00 0.00 C ATOM 0 H THR A 95 102.815 5.314 4.478 1.00 0.00 H new ATOM 0 HA THR A 95 100.251 6.327 3.228 1.00 0.00 H new ATOM 0 HB THR A 95 100.957 7.606 5.311 1.00 0.00 H new ATOM 0 HG1 THR A 95 101.118 9.657 4.219 1.00 0.00 H new ATOM 0 HG21 THR A 95 103.122 8.816 5.265 1.00 0.00 H new ATOM 0 HG22 THR A 95 103.368 7.054 5.202 1.00 0.00 H new ATOM 0 HG23 THR A 95 103.528 8.028 3.721 1.00 0.00 H new ATOM 1550 N GLY A 96 101.455 6.695 1.105 1.00 0.00 N ATOM 1551 CA GLY A 96 102.198 6.788 -0.183 1.00 0.00 C ATOM 1552 C GLY A 96 102.939 8.118 -0.248 1.00 0.00 C ATOM 1553 O GLY A 96 104.116 8.175 -0.541 1.00 0.00 O ATOM 0 H GLY A 96 100.440 6.755 1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 96 102.904 5.962 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 96 101.506 6.704 -1.021 1.00 0.00 H new ATOM 1557 N GLY A 97 102.252 9.194 0.009 1.00 0.00 N ATOM 1558 CA GLY A 97 102.913 10.523 -0.057 1.00 0.00 C ATOM 1559 C GLY A 97 103.268 10.808 -1.514 1.00 0.00 C ATOM 1560 O GLY A 97 102.419 10.788 -2.384 1.00 0.00 O ATOM 0 H GLY A 97 101.264 9.210 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 97 102.250 11.297 0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 97 103.810 10.532 0.562 1.00 0.00 H new ATOM 1564 N HIS A 98 104.511 11.069 -1.791 1.00 0.00 N ATOM 1565 CA HIS A 98 104.917 11.344 -3.198 1.00 0.00 C ATOM 1566 C HIS A 98 104.827 10.064 -4.041 1.00 0.00 C ATOM 1567 O HIS A 98 104.884 10.104 -5.254 1.00 0.00 O ATOM 1568 CB HIS A 98 106.364 11.811 -3.092 1.00 0.00 C ATOM 1569 CG HIS A 98 107.196 10.712 -2.493 1.00 0.00 C ATOM 1570 ND1 HIS A 98 107.391 10.316 -1.192 1.00 0.00 N flip ATOM 1571 CD2 HIS A 98 107.964 9.860 -3.267 1.00 0.00 C flip ATOM 1572 CE1 HIS A 98 108.269 9.238 -1.157 1.00 0.00 C flip ATOM 1573 NE2 HIS A 98 108.584 9.002 -2.433 1.00 0.00 N flip ATOM 0 H HIS A 98 105.266 11.104 -1.106 1.00 0.00 H new ATOM 0 HA HIS A 98 104.276 12.082 -3.680 1.00 0.00 H new ATOM 0 HB2 HIS A 98 106.746 12.076 -4.078 1.00 0.00 H new ATOM 0 HB3 HIS A 98 106.425 12.707 -2.475 1.00 0.00 H new ATOM 0 HD2 HIS A 98 108.051 9.879 -4.343 1.00 0.00 H new ATOM 0 HE1 HIS A 98 108.620 8.706 -0.285 1.00 0.00 H new ATOM 0 HE2 HIS A 98 109.217 8.263 -2.739 1.00 0.00 H new ATOM 1581 N SER A 99 104.695 8.932 -3.404 1.00 0.00 N ATOM 1582 CA SER A 99 104.612 7.647 -4.163 1.00 0.00 C ATOM 1583 C SER A 99 103.311 6.908 -3.825 1.00 0.00 C ATOM 1584 O SER A 99 102.707 7.132 -2.795 1.00 0.00 O ATOM 1585 CB SER A 99 105.818 6.838 -3.691 1.00 0.00 C ATOM 1586 OG SER A 99 105.679 6.566 -2.304 1.00 0.00 O ATOM 0 H SER A 99 104.641 8.840 -2.390 1.00 0.00 H new ATOM 0 HA SER A 99 104.615 7.805 -5.241 1.00 0.00 H new ATOM 0 HB2 SER A 99 105.889 5.906 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 99 106.738 7.392 -3.875 1.00 0.00 H new ATOM 0 HG SER A 99 105.752 5.601 -2.151 1.00 0.00 H new ATOM 1592 N THR A 100 102.875 6.032 -4.693 1.00 0.00 N ATOM 1593 CA THR A 100 101.612 5.274 -4.437 1.00 0.00 C ATOM 1594 C THR A 100 101.714 4.449 -3.153 1.00 0.00 C ATOM 1595 O THR A 100 100.738 4.237 -2.462 1.00 0.00 O ATOM 1596 CB THR A 100 101.456 4.332 -5.628 1.00 0.00 C ATOM 1597 OG1 THR A 100 101.458 5.079 -6.835 1.00 0.00 O ATOM 1598 CG2 THR A 100 100.143 3.559 -5.491 1.00 0.00 C ATOM 0 H THR A 100 103.341 5.808 -5.572 1.00 0.00 H new ATOM 0 HA THR A 100 100.767 5.952 -4.320 1.00 0.00 H new ATOM 0 HB THR A 100 102.288 3.628 -5.649 1.00 0.00 H new ATOM 0 HG1 THR A 100 101.359 4.470 -7.597 1.00 0.00 H new ATOM 0 HG21 THR A 100 100.027 2.885 -6.340 1.00 0.00 H new ATOM 0 HG22 THR A 100 100.156 2.981 -4.567 1.00 0.00 H new ATOM 0 HG23 THR A 100 99.309 4.260 -5.468 1.00 0.00 H new ATOM 1606 N VAL A 101 102.879 3.950 -2.844 1.00 0.00 N ATOM 1607 CA VAL A 101 103.017 3.114 -1.619 1.00 0.00 C ATOM 1608 C VAL A 101 104.288 3.480 -0.849 1.00 0.00 C ATOM 1609 O VAL A 101 104.586 2.796 0.118 1.00 0.00 O ATOM 1610 CB VAL A 101 103.100 1.678 -2.136 1.00 0.00 C ATOM 1611 CG1 VAL A 101 104.479 1.429 -2.754 1.00 0.00 C ATOM 1612 CG2 VAL A 101 102.883 0.713 -0.970 1.00 0.00 C ATOM 1613 OXT VAL A 101 104.943 4.433 -1.240 1.00 0.00 O ATOM 0 H VAL A 101 103.735 4.084 -3.382 1.00 0.00 H new ATOM 0 HA VAL A 101 102.186 3.260 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 101 102.334 1.519 -2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 101 104.534 0.404 -3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 101 104.637 2.120 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 101 105.250 1.585 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 101 102.941 -0.314 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 101 103.652 0.876 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 101 101.901 0.888 -0.531 1.00 0.00 H new TER 1623 VAL A 101