USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 768 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 14 HIS : no HE2:sc= -5.19 K(o=-5.6,f=-7!) USER MOD Set 1.2: A 49 SER OG : rot -80:sc= -0.373! USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.069 (180deg=0) USER MOD Single : A 3 MET CE :methyl 177:sc= 0 (180deg=-0.00853) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -4.45! USER MOD Single : A 13 SER OG : rot 23:sc= 0.811 USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= -0.0627 (180deg=-0.077) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -133:sc= -0.0721 (180deg=-1.16) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= 0.161 (180deg=0.128) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 110:sc= -7.17! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 47:sc= 1.04 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -139:sc= 0 (180deg=-0.0127) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0791 K(o=-0.079,f=-0.71) USER MOD Single : A 81 SER OG : rot -116:sc= -0.362 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 130:sc= -0.382 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HE2:sc= -5.73! C(o=-6.5!,f=-5.7!) USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= -0.153 (180deg=-0.197) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.844 17.117 8.378 1.00 0.00 N ATOM 2 CA GLY A 1 18.460 16.613 8.162 1.00 0.00 C ATOM 3 C GLY A 1 18.419 15.114 7.931 1.00 0.00 C ATOM 4 O GLY A 1 19.445 14.502 7.639 1.00 0.00 O ATOM 0 H1 GLY A 1 19.994 17.297 9.391 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.528 16.406 8.048 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.979 18.000 7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.847 16.861 9.028 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.021 17.122 7.304 1.00 0.00 H new ATOM 10 N PRO A 2 17.235 14.489 8.057 1.00 0.00 N ATOM 11 CA PRO A 2 17.080 13.044 7.856 1.00 0.00 C ATOM 12 C PRO A 2 17.658 12.580 6.523 1.00 0.00 C ATOM 13 O PRO A 2 16.961 12.554 5.508 1.00 0.00 O ATOM 14 CB PRO A 2 15.563 12.843 7.879 1.00 0.00 C ATOM 15 CG PRO A 2 15.042 13.981 8.684 1.00 0.00 C ATOM 16 CD PRO A 2 15.958 15.140 8.403 1.00 0.00 C ATOM 0 HA PRO A 2 17.611 12.468 8.613 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.148 12.848 6.871 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.297 11.886 8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.015 14.218 8.405 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.036 13.737 9.746 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.587 15.757 7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 2 16.061 15.791 9.271 1.00 0.00 H new ATOM 24 N MET A 3 18.936 12.215 6.532 1.00 0.00 N ATOM 25 CA MET A 3 19.607 11.752 5.324 1.00 0.00 C ATOM 26 C MET A 3 19.654 10.227 5.280 1.00 0.00 C ATOM 27 O MET A 3 19.941 9.576 6.283 1.00 0.00 O ATOM 28 CB MET A 3 21.024 12.319 5.250 1.00 0.00 C ATOM 29 CG MET A 3 21.072 13.792 4.877 1.00 0.00 C ATOM 30 SD MET A 3 21.421 14.054 3.127 1.00 0.00 S ATOM 31 CE MET A 3 19.785 14.438 2.510 1.00 0.00 C ATOM 0 H MET A 3 19.527 12.231 7.363 1.00 0.00 H new ATOM 0 HA MET A 3 19.038 12.107 4.465 1.00 0.00 H new ATOM 0 HB2 MET A 3 21.512 12.181 6.215 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.597 11.749 4.519 1.00 0.00 H new ATOM 0 HG2 MET A 3 20.119 14.257 5.127 1.00 0.00 H new ATOM 0 HG3 MET A 3 21.836 14.289 5.474 1.00 0.00 H new ATOM 0 HE1 MET A 3 19.844 14.678 1.448 1.00 0.00 H new ATOM 0 HE2 MET A 3 19.131 13.577 2.652 1.00 0.00 H new ATOM 0 HE3 MET A 3 19.383 15.293 3.053 1.00 0.00 H new ATOM 41 N GLY A 4 19.370 9.666 4.109 1.00 0.00 N ATOM 42 CA GLY A 4 19.386 8.223 3.956 1.00 0.00 C ATOM 43 C GLY A 4 18.002 7.613 4.068 1.00 0.00 C ATOM 44 O GLY A 4 17.549 6.914 3.163 1.00 0.00 O ATOM 0 H GLY A 4 19.129 10.184 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.815 7.968 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.034 7.787 4.716 1.00 0.00 H new ATOM 48 N SER A 5 17.330 7.880 5.183 1.00 0.00 N ATOM 49 CA SER A 5 15.989 7.354 5.411 1.00 0.00 C ATOM 50 C SER A 5 14.933 8.297 4.845 1.00 0.00 C ATOM 51 O SER A 5 14.880 9.473 5.203 1.00 0.00 O ATOM 52 CB SER A 5 15.750 7.140 6.908 1.00 0.00 C ATOM 53 OG SER A 5 14.462 6.598 7.145 1.00 0.00 O ATOM 0 H SER A 5 17.692 8.457 5.942 1.00 0.00 H new ATOM 0 HA SER A 5 15.908 6.396 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.510 6.469 7.309 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.852 8.089 7.435 1.00 0.00 H new ATOM 0 HG SER A 5 14.334 6.469 8.108 1.00 0.00 H new ATOM 59 N MET A 6 14.095 7.772 3.958 1.00 0.00 N ATOM 60 CA MET A 6 13.039 8.568 3.341 1.00 0.00 C ATOM 61 C MET A 6 11.708 7.824 3.374 1.00 0.00 C ATOM 62 O MET A 6 11.534 6.815 2.690 1.00 0.00 O ATOM 63 CB MET A 6 13.408 8.914 1.897 1.00 0.00 C ATOM 64 CG MET A 6 14.293 10.145 1.772 1.00 0.00 C ATOM 65 SD MET A 6 15.961 9.750 1.211 1.00 0.00 S ATOM 66 CE MET A 6 16.004 10.614 -0.356 1.00 0.00 C ATOM 0 H MET A 6 14.126 6.800 3.650 1.00 0.00 H new ATOM 0 HA MET A 6 12.934 9.491 3.912 1.00 0.00 H new ATOM 0 HB2 MET A 6 13.919 8.063 1.448 1.00 0.00 H new ATOM 0 HB3 MET A 6 12.494 9.075 1.326 1.00 0.00 H new ATOM 0 HG2 MET A 6 13.836 10.846 1.074 1.00 0.00 H new ATOM 0 HG3 MET A 6 14.348 10.647 2.738 1.00 0.00 H new ATOM 0 HE1 MET A 6 16.976 10.465 -0.827 1.00 0.00 H new ATOM 0 HE2 MET A 6 15.221 10.225 -1.008 1.00 0.00 H new ATOM 0 HE3 MET A 6 15.841 11.679 -0.189 1.00 0.00 H new ATOM 76 N ALA A 7 10.773 8.328 4.170 1.00 0.00 N ATOM 77 CA ALA A 7 9.458 7.709 4.287 1.00 0.00 C ATOM 78 C ALA A 7 8.344 8.716 4.016 1.00 0.00 C ATOM 79 O ALA A 7 7.221 8.552 4.491 1.00 0.00 O ATOM 80 CB ALA A 7 9.287 7.087 5.664 1.00 0.00 C ATOM 0 H ALA A 7 10.900 9.162 4.743 1.00 0.00 H new ATOM 0 HA ALA A 7 9.389 6.924 3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.301 6.629 5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.053 6.326 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.385 7.859 6.427 1.00 0.00 H new ATOM 86 N ASP A 8 8.659 9.752 3.243 1.00 0.00 N ATOM 87 CA ASP A 8 7.677 10.777 2.902 1.00 0.00 C ATOM 88 C ASP A 8 6.438 10.140 2.284 1.00 0.00 C ATOM 89 O ASP A 8 5.314 10.591 2.504 1.00 0.00 O ATOM 90 CB ASP A 8 8.284 11.787 1.926 1.00 0.00 C ATOM 91 CG ASP A 8 7.391 12.995 1.714 1.00 0.00 C ATOM 92 OD1 ASP A 8 6.193 12.803 1.420 1.00 0.00 O ATOM 93 OD2 ASP A 8 7.891 14.131 1.843 1.00 0.00 O ATOM 0 H ASP A 8 9.584 9.904 2.842 1.00 0.00 H new ATOM 0 HA ASP A 8 7.388 11.296 3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.252 12.116 2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.464 11.299 0.968 1.00 0.00 H new ATOM 98 N LYS A 9 6.663 9.083 1.515 1.00 0.00 N ATOM 99 CA LYS A 9 5.586 8.358 0.860 1.00 0.00 C ATOM 100 C LYS A 9 5.331 7.029 1.555 1.00 0.00 C ATOM 101 O LYS A 9 5.996 6.700 2.538 1.00 0.00 O ATOM 102 CB LYS A 9 5.871 8.197 -0.638 1.00 0.00 C ATOM 103 CG LYS A 9 6.754 7.021 -0.989 1.00 0.00 C ATOM 104 CD LYS A 9 8.183 7.233 -0.499 1.00 0.00 C ATOM 105 CE LYS A 9 8.749 8.563 -0.973 1.00 0.00 C ATOM 106 NZ LYS A 9 10.238 8.579 -0.936 1.00 0.00 N ATOM 0 H LYS A 9 7.593 8.707 1.329 1.00 0.00 H new ATOM 0 HA LYS A 9 4.668 8.939 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.923 8.092 -1.165 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.341 9.109 -1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.346 6.113 -0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.756 6.875 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.203 7.196 0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.815 6.420 -0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.409 8.760 -1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.362 9.366 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.584 9.503 -1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.563 8.416 0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.609 7.829 -1.554 1.00 0.00 H new ATOM 120 N ILE A 10 4.348 6.277 1.073 1.00 0.00 N ATOM 121 CA ILE A 10 4.008 5.008 1.700 1.00 0.00 C ATOM 122 C ILE A 10 4.406 3.851 0.836 1.00 0.00 C ATOM 123 O ILE A 10 4.424 3.935 -0.388 1.00 0.00 O ATOM 124 CB ILE A 10 2.504 4.857 1.997 1.00 0.00 C ATOM 125 CG1 ILE A 10 1.854 6.213 2.205 1.00 0.00 C ATOM 126 CG2 ILE A 10 2.303 3.988 3.227 1.00 0.00 C ATOM 127 CD1 ILE A 10 2.424 6.952 3.385 1.00 0.00 C ATOM 0 H ILE A 10 3.780 6.520 0.261 1.00 0.00 H new ATOM 0 HA ILE A 10 4.559 5.007 2.641 1.00 0.00 H new ATOM 0 HB ILE A 10 2.031 4.380 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.984 6.816 1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.782 6.080 2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.237 3.886 3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.735 3.003 3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.793 4.451 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.923 7.915 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.271 6.365 4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.491 7.112 3.233 1.00 0.00 H new ATOM 139 N LYS A 11 4.725 2.769 1.501 1.00 0.00 N ATOM 140 CA LYS A 11 5.141 1.565 0.833 1.00 0.00 C ATOM 141 C LYS A 11 4.277 0.402 1.271 1.00 0.00 C ATOM 142 O LYS A 11 4.697 -0.415 2.078 1.00 0.00 O ATOM 143 CB LYS A 11 6.618 1.296 1.130 1.00 0.00 C ATOM 144 CG LYS A 11 7.453 2.571 1.281 1.00 0.00 C ATOM 145 CD LYS A 11 8.387 2.483 2.476 1.00 0.00 C ATOM 146 CE LYS A 11 9.665 1.740 2.125 1.00 0.00 C ATOM 147 NZ LYS A 11 10.852 2.639 2.135 1.00 0.00 N ATOM 0 H LYS A 11 4.703 2.700 2.518 1.00 0.00 H new ATOM 0 HA LYS A 11 5.022 1.687 -0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.695 0.710 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.037 0.690 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.035 2.737 0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.791 3.430 1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.631 3.487 2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.883 1.975 3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.819 0.928 2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.562 1.286 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.703 2.093 1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.717 3.400 1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.966 3.052 3.082 1.00 0.00 H new ATOM 161 N CYS A 12 3.057 0.347 0.747 1.00 0.00 N ATOM 162 CA CYS A 12 2.125 -0.721 1.095 1.00 0.00 C ATOM 163 C CYS A 12 1.761 -1.557 -0.127 1.00 0.00 C ATOM 164 O CYS A 12 2.251 -1.312 -1.224 1.00 0.00 O ATOM 165 CB CYS A 12 0.856 -0.162 1.747 1.00 0.00 C ATOM 166 SG CYS A 12 1.155 1.096 3.006 1.00 0.00 S ATOM 0 H CYS A 12 2.691 1.027 0.081 1.00 0.00 H new ATOM 0 HA CYS A 12 2.628 -1.365 1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.220 0.263 0.970 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.301 -0.985 2.198 1.00 0.00 H new ATOM 0 HG CYS A 12 0.020 1.503 3.491 1.00 0.00 H new ATOM 172 N SER A 13 0.910 -2.554 0.085 1.00 0.00 N ATOM 173 CA SER A 13 0.460 -3.447 -0.980 1.00 0.00 C ATOM 174 C SER A 13 -1.042 -3.277 -1.192 1.00 0.00 C ATOM 175 O SER A 13 -1.729 -2.715 -0.339 1.00 0.00 O ATOM 176 CB SER A 13 0.775 -4.901 -0.624 1.00 0.00 C ATOM 177 OG SER A 13 0.482 -5.767 -1.708 1.00 0.00 O ATOM 0 H SER A 13 0.512 -2.767 0.999 1.00 0.00 H new ATOM 0 HA SER A 13 0.986 -3.192 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.827 -4.993 -0.355 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.196 -5.198 0.250 1.00 0.00 H new ATOM 0 HG SER A 13 0.497 -5.259 -2.546 1.00 0.00 H new ATOM 183 N HIS A 14 -1.555 -3.749 -2.324 1.00 0.00 N ATOM 184 CA HIS A 14 -2.982 -3.617 -2.607 1.00 0.00 C ATOM 185 C HIS A 14 -3.603 -4.921 -3.090 1.00 0.00 C ATOM 186 O HIS A 14 -2.936 -5.774 -3.673 1.00 0.00 O ATOM 187 CB HIS A 14 -3.221 -2.506 -3.632 1.00 0.00 C ATOM 188 CG HIS A 14 -2.688 -2.814 -4.997 1.00 0.00 C ATOM 189 ND1 HIS A 14 -2.966 -2.041 -6.104 1.00 0.00 N ATOM 190 CD2 HIS A 14 -1.887 -3.816 -5.432 1.00 0.00 C ATOM 191 CE1 HIS A 14 -2.363 -2.555 -7.161 1.00 0.00 C ATOM 192 NE2 HIS A 14 -1.702 -3.632 -6.782 1.00 0.00 N ATOM 0 H HIS A 14 -1.015 -4.219 -3.050 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.471 -3.356 -1.668 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.292 -2.317 -3.705 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.759 -1.587 -3.271 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -3.547 -1.203 -6.107 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.471 -4.611 -4.831 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.404 -2.160 -8.165 1.00 0.00 H new ATOM 201 N ILE A 15 -4.901 -5.051 -2.835 1.00 0.00 N ATOM 202 CA ILE A 15 -5.663 -6.229 -3.224 1.00 0.00 C ATOM 203 C ILE A 15 -7.143 -5.871 -3.356 1.00 0.00 C ATOM 204 O ILE A 15 -7.752 -5.358 -2.418 1.00 0.00 O ATOM 205 CB ILE A 15 -5.478 -7.372 -2.196 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.093 -8.005 -2.357 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.569 -8.431 -2.333 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.035 -7.385 -1.472 1.00 0.00 C ATOM 0 H ILE A 15 -5.453 -4.342 -2.353 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.292 -6.577 -4.188 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.560 -6.943 -1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.162 -9.070 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.781 -7.916 -3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.407 -9.218 -1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.544 -7.973 -2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.536 -8.860 -3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.081 -7.884 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.937 -6.326 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.323 -7.497 -0.427 1.00 0.00 H new ATOM 220 N LEU A 16 -7.710 -6.122 -4.532 1.00 0.00 N ATOM 221 CA LEU A 16 -9.112 -5.802 -4.783 1.00 0.00 C ATOM 222 C LEU A 16 -9.964 -7.056 -4.943 1.00 0.00 C ATOM 223 O LEU A 16 -9.625 -7.955 -5.711 1.00 0.00 O ATOM 224 CB LEU A 16 -9.239 -4.942 -6.040 1.00 0.00 C ATOM 225 CG LEU A 16 -10.531 -4.130 -6.144 1.00 0.00 C ATOM 226 CD1 LEU A 16 -10.740 -3.296 -4.889 1.00 0.00 C ATOM 227 CD2 LEU A 16 -10.503 -3.243 -7.380 1.00 0.00 C ATOM 0 H LEU A 16 -7.223 -6.544 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.478 -5.252 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.393 -4.256 -6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.164 -5.590 -6.913 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.368 -4.822 -6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.664 -2.725 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.805 -3.953 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.901 -2.611 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.430 -2.672 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.658 -2.558 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.402 -3.863 -8.271 1.00 0.00 H new ATOM 239 N VAL A 17 -11.087 -7.096 -4.233 1.00 0.00 N ATOM 240 CA VAL A 17 -12.005 -8.223 -4.312 1.00 0.00 C ATOM 241 C VAL A 17 -13.453 -7.747 -4.212 1.00 0.00 C ATOM 242 O VAL A 17 -13.782 -6.912 -3.370 1.00 0.00 O ATOM 243 CB VAL A 17 -11.726 -9.266 -3.211 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.274 -9.723 -3.261 1.00 0.00 C ATOM 245 CG2 VAL A 17 -12.074 -8.713 -1.835 1.00 0.00 C ATOM 0 H VAL A 17 -11.382 -6.357 -3.595 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.847 -8.698 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.363 -10.131 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.097 -10.459 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.067 -10.172 -4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.617 -8.866 -3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.868 -9.468 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.472 -7.826 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.131 -8.448 -1.806 1.00 0.00 H new ATOM 255 N LYS A 18 -14.311 -8.270 -5.084 1.00 0.00 N ATOM 256 CA LYS A 18 -15.719 -7.878 -5.095 1.00 0.00 C ATOM 257 C LYS A 18 -16.469 -8.453 -3.898 1.00 0.00 C ATOM 258 O LYS A 18 -17.349 -7.799 -3.337 1.00 0.00 O ATOM 259 CB LYS A 18 -16.383 -8.327 -6.399 1.00 0.00 C ATOM 260 CG LYS A 18 -16.614 -7.193 -7.385 1.00 0.00 C ATOM 261 CD LYS A 18 -15.357 -6.886 -8.184 1.00 0.00 C ATOM 262 CE LYS A 18 -15.409 -7.519 -9.566 1.00 0.00 C ATOM 263 NZ LYS A 18 -15.457 -9.004 -9.495 1.00 0.00 N ATOM 0 H LYS A 18 -14.059 -8.963 -5.789 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.763 -6.791 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.761 -9.087 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.339 -8.797 -6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.423 -7.460 -8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.932 -6.300 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.240 -5.807 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.483 -7.254 -7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.286 -7.153 -10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.535 -7.211 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.423 -9.399 -10.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.643 -9.352 -8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.338 -9.301 -9.030 1.00 0.00 H new ATOM 277 N LYS A 19 -16.107 -9.665 -3.493 1.00 0.00 N ATOM 278 CA LYS A 19 -16.735 -10.298 -2.351 1.00 0.00 C ATOM 279 C LYS A 19 -16.216 -9.628 -1.079 1.00 0.00 C ATOM 280 O LYS A 19 -15.299 -10.112 -0.420 1.00 0.00 O ATOM 281 CB LYS A 19 -16.461 -11.808 -2.384 1.00 0.00 C ATOM 282 CG LYS A 19 -16.355 -12.454 -1.021 1.00 0.00 C ATOM 283 CD LYS A 19 -16.421 -13.970 -1.109 1.00 0.00 C ATOM 284 CE LYS A 19 -16.110 -14.623 0.228 1.00 0.00 C ATOM 285 NZ LYS A 19 -17.272 -15.388 0.757 1.00 0.00 N ATOM 0 H LYS A 19 -15.382 -10.225 -3.942 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.818 -10.175 -2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -17.258 -12.297 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.534 -11.985 -2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.418 -12.158 -0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.161 -12.091 -0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.414 -14.273 -1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.714 -14.322 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.256 -15.291 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.822 -13.857 0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.018 -15.817 1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.079 -14.746 0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.531 -16.136 0.083 1.00 0.00 H new ATOM 299 N GLN A 20 -16.779 -8.466 -0.785 1.00 0.00 N ATOM 300 CA GLN A 20 -16.359 -7.661 0.356 1.00 0.00 C ATOM 301 C GLN A 20 -16.198 -8.469 1.634 1.00 0.00 C ATOM 302 O GLN A 20 -15.424 -8.085 2.512 1.00 0.00 O ATOM 303 CB GLN A 20 -17.347 -6.516 0.583 1.00 0.00 C ATOM 304 CG GLN A 20 -18.802 -6.958 0.567 1.00 0.00 C ATOM 305 CD GLN A 20 -19.534 -6.606 1.847 1.00 0.00 C ATOM 306 OE1 GLN A 20 -20.468 -5.804 1.842 1.00 0.00 O ATOM 307 NE2 GLN A 20 -19.113 -7.207 2.954 1.00 0.00 N ATOM 0 H GLN A 20 -17.538 -8.054 -1.328 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.374 -7.263 0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.130 -6.044 1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.197 -5.759 -0.187 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.310 -6.492 -0.277 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.848 -8.036 0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.335 -7.865 2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.568 -7.010 3.846 1.00 0.00 H new ATOM 316 N GLY A 21 -16.904 -9.582 1.753 1.00 0.00 N ATOM 317 CA GLY A 21 -16.764 -10.380 2.952 1.00 0.00 C ATOM 318 C GLY A 21 -15.384 -10.989 3.036 1.00 0.00 C ATOM 319 O GLY A 21 -14.834 -11.170 4.125 1.00 0.00 O ATOM 0 H GLY A 21 -17.558 -9.942 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.946 -9.760 3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.515 -11.170 2.958 1.00 0.00 H new ATOM 323 N GLU A 22 -14.808 -11.274 1.878 1.00 0.00 N ATOM 324 CA GLU A 22 -13.474 -11.838 1.816 1.00 0.00 C ATOM 325 C GLU A 22 -12.441 -10.797 2.214 1.00 0.00 C ATOM 326 O GLU A 22 -11.465 -11.102 2.894 1.00 0.00 O ATOM 327 CB GLU A 22 -13.193 -12.374 0.411 1.00 0.00 C ATOM 328 CG GLU A 22 -12.909 -11.320 -0.640 1.00 0.00 C ATOM 329 CD GLU A 22 -11.646 -11.623 -1.422 1.00 0.00 C ATOM 330 OE1 GLU A 22 -10.557 -11.208 -0.976 1.00 0.00 O ATOM 331 OE2 GLU A 22 -11.749 -12.277 -2.481 1.00 0.00 O ATOM 0 H GLU A 22 -15.246 -11.123 0.969 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.409 -12.668 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.340 -13.051 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.050 -12.965 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.753 -11.256 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.813 -10.346 -0.160 1.00 0.00 H new ATOM 338 N ALA A 23 -12.675 -9.560 1.794 1.00 0.00 N ATOM 339 CA ALA A 23 -11.777 -8.459 2.114 1.00 0.00 C ATOM 340 C ALA A 23 -11.501 -8.427 3.614 1.00 0.00 C ATOM 341 O ALA A 23 -10.383 -8.152 4.048 1.00 0.00 O ATOM 342 CB ALA A 23 -12.373 -7.135 1.646 1.00 0.00 C ATOM 0 H ALA A 23 -13.482 -9.294 1.229 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.832 -8.611 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.691 -6.322 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.526 -7.166 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.329 -6.970 2.144 1.00 0.00 H new ATOM 348 N LEU A 24 -12.532 -8.729 4.399 1.00 0.00 N ATOM 349 CA LEU A 24 -12.412 -8.758 5.852 1.00 0.00 C ATOM 350 C LEU A 24 -11.630 -9.987 6.306 1.00 0.00 C ATOM 351 O LEU A 24 -10.976 -9.970 7.347 1.00 0.00 O ATOM 352 CB LEU A 24 -13.796 -8.745 6.503 1.00 0.00 C ATOM 353 CG LEU A 24 -13.896 -7.941 7.802 1.00 0.00 C ATOM 354 CD1 LEU A 24 -13.124 -8.631 8.917 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.381 -6.524 7.593 1.00 0.00 C ATOM 0 H LEU A 24 -13.463 -8.958 4.050 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.868 -7.867 6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.513 -8.341 5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.094 -9.773 6.707 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.945 -7.886 8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.206 -8.045 9.833 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.537 -9.626 9.084 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.075 -8.717 8.634 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.460 -5.967 8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.338 -6.559 7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.976 -6.030 6.825 1.00 0.00 H new ATOM 367 N ALA A 25 -11.720 -11.060 5.527 1.00 0.00 N ATOM 368 CA ALA A 25 -11.029 -12.302 5.856 1.00 0.00 C ATOM 369 C ALA A 25 -9.582 -12.282 5.370 1.00 0.00 C ATOM 370 O ALA A 25 -8.673 -12.708 6.082 1.00 0.00 O ATOM 371 CB ALA A 25 -11.770 -13.488 5.255 1.00 0.00 C ATOM 0 H ALA A 25 -12.264 -11.095 4.665 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.014 -12.401 6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.246 -14.410 5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.783 -13.525 5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.813 -13.379 4.171 1.00 0.00 H new ATOM 377 N VAL A 26 -9.374 -11.787 4.153 1.00 0.00 N ATOM 378 CA VAL A 26 -8.039 -11.716 3.573 1.00 0.00 C ATOM 379 C VAL A 26 -7.088 -10.942 4.474 1.00 0.00 C ATOM 380 O VAL A 26 -5.930 -11.311 4.621 1.00 0.00 O ATOM 381 CB VAL A 26 -8.052 -11.075 2.167 1.00 0.00 C ATOM 382 CG1 VAL A 26 -9.201 -11.629 1.336 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.134 -9.557 2.256 1.00 0.00 C ATOM 0 H VAL A 26 -10.115 -11.429 3.550 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.687 -12.743 3.479 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.115 -11.330 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.193 -11.165 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.087 -12.708 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.147 -11.411 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.141 -9.134 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.048 -9.272 2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.271 -9.177 2.803 1.00 0.00 H new ATOM 393 N GLN A 27 -7.580 -9.869 5.080 1.00 0.00 N ATOM 394 CA GLN A 27 -6.751 -9.064 5.966 1.00 0.00 C ATOM 395 C GLN A 27 -6.164 -9.934 7.077 1.00 0.00 C ATOM 396 O GLN A 27 -4.954 -9.939 7.303 1.00 0.00 O ATOM 397 CB GLN A 27 -7.557 -7.893 6.547 1.00 0.00 C ATOM 398 CG GLN A 27 -8.600 -8.297 7.571 1.00 0.00 C ATOM 399 CD GLN A 27 -9.280 -7.105 8.216 1.00 0.00 C ATOM 400 OE1 GLN A 27 -9.433 -7.048 9.436 1.00 0.00 O ATOM 401 NE2 GLN A 27 -9.691 -6.143 7.398 1.00 0.00 N ATOM 0 H GLN A 27 -8.539 -9.539 4.976 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.926 -8.646 5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.867 -7.187 7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.052 -7.368 5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.352 -8.923 7.090 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.128 -8.903 8.344 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.544 -6.231 6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.154 -5.316 7.775 1.00 0.00 H new ATOM 410 N GLU A 28 -7.031 -10.683 7.755 1.00 0.00 N ATOM 411 CA GLU A 28 -6.604 -11.574 8.827 1.00 0.00 C ATOM 412 C GLU A 28 -5.887 -12.803 8.268 1.00 0.00 C ATOM 413 O GLU A 28 -5.026 -13.389 8.924 1.00 0.00 O ATOM 414 CB GLU A 28 -7.816 -11.991 9.676 1.00 0.00 C ATOM 415 CG GLU A 28 -8.447 -13.315 9.267 1.00 0.00 C ATOM 416 CD GLU A 28 -9.654 -13.671 10.113 1.00 0.00 C ATOM 417 OE1 GLU A 28 -9.462 -14.088 11.274 1.00 0.00 O ATOM 418 OE2 GLU A 28 -10.791 -13.533 9.613 1.00 0.00 O ATOM 0 H GLU A 28 -8.036 -10.689 7.579 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.897 -11.038 9.461 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.508 -12.057 10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.572 -11.208 9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.744 -13.263 8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.704 -14.108 9.349 1.00 0.00 H new ATOM 425 N ARG A 29 -6.271 -13.196 7.056 1.00 0.00 N ATOM 426 CA ARG A 29 -5.699 -14.368 6.399 1.00 0.00 C ATOM 427 C ARG A 29 -4.330 -14.062 5.791 1.00 0.00 C ATOM 428 O ARG A 29 -3.477 -14.943 5.687 1.00 0.00 O ATOM 429 CB ARG A 29 -6.666 -14.862 5.318 1.00 0.00 C ATOM 430 CG ARG A 29 -6.125 -15.989 4.455 1.00 0.00 C ATOM 431 CD ARG A 29 -6.784 -17.319 4.791 1.00 0.00 C ATOM 432 NE ARG A 29 -6.816 -17.566 6.232 1.00 0.00 N ATOM 433 CZ ARG A 29 -7.206 -18.717 6.777 1.00 0.00 C ATOM 434 NH1 ARG A 29 -7.594 -19.726 6.008 1.00 0.00 N ATOM 435 NH2 ARG A 29 -7.204 -18.859 8.095 1.00 0.00 N ATOM 0 H ARG A 29 -6.982 -12.715 6.505 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.553 -15.147 7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.586 -15.198 5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.930 -14.023 4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.292 -15.755 3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.047 -16.071 4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.801 -17.329 4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.244 -18.126 4.297 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.523 -16.814 6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.595 -19.623 4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.892 -20.605 6.432 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.904 -18.087 8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.502 -19.740 8.513 1.00 0.00 H new ATOM 449 N LEU A 30 -4.129 -12.814 5.387 1.00 0.00 N ATOM 450 CA LEU A 30 -2.868 -12.395 4.784 1.00 0.00 C ATOM 451 C LEU A 30 -1.694 -12.717 5.703 1.00 0.00 C ATOM 452 O LEU A 30 -0.750 -13.402 5.308 1.00 0.00 O ATOM 453 CB LEU A 30 -2.906 -10.896 4.472 1.00 0.00 C ATOM 454 CG LEU A 30 -1.871 -10.412 3.455 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.461 -10.695 3.951 1.00 0.00 C ATOM 456 CD2 LEU A 30 -2.107 -11.063 2.098 1.00 0.00 C ATOM 0 H LEU A 30 -4.824 -12.072 5.466 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.731 -12.946 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.900 -10.644 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.763 -10.345 5.401 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.982 -9.334 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.261 -10.344 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.297 -10.177 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.336 -11.768 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.361 -10.706 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.027 -12.146 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.103 -10.804 1.738 1.00 0.00 H new ATOM 468 N LYS A 31 -1.763 -12.223 6.934 1.00 0.00 N ATOM 469 CA LYS A 31 -0.711 -12.463 7.917 1.00 0.00 C ATOM 470 C LYS A 31 -0.730 -13.910 8.404 1.00 0.00 C ATOM 471 O LYS A 31 0.184 -14.347 9.105 1.00 0.00 O ATOM 472 CB LYS A 31 -0.874 -11.516 9.105 1.00 0.00 C ATOM 473 CG LYS A 31 -2.165 -11.734 9.878 1.00 0.00 C ATOM 474 CD LYS A 31 -3.131 -10.572 9.705 1.00 0.00 C ATOM 475 CE LYS A 31 -3.713 -10.127 11.036 1.00 0.00 C ATOM 476 NZ LYS A 31 -4.503 -11.209 11.688 1.00 0.00 N ATOM 0 H LYS A 31 -2.537 -11.653 7.276 1.00 0.00 H new ATOM 0 HA LYS A 31 0.248 -12.276 7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.028 -11.644 9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.843 -10.487 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.640 -12.655 9.540 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.938 -11.863 10.936 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.614 -9.735 9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.938 -10.866 9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.906 -9.817 11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.350 -9.256 10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.411 -10.825 12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.678 -11.972 11.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.972 -11.587 12.498 1.00 0.00 H new ATOM 490 N ALA A 32 -1.774 -14.649 8.037 1.00 0.00 N ATOM 491 CA ALA A 32 -1.907 -16.040 8.446 1.00 0.00 C ATOM 492 C ALA A 32 -0.727 -16.873 7.961 1.00 0.00 C ATOM 493 O ALA A 32 -0.415 -17.919 8.530 1.00 0.00 O ATOM 494 CB ALA A 32 -3.211 -16.617 7.918 1.00 0.00 C ATOM 0 H ALA A 32 -2.539 -14.305 7.457 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.916 -16.074 9.535 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.301 -17.658 8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.049 -16.045 8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.219 -16.562 6.829 1.00 0.00 H new ATOM 500 N GLY A 33 -0.079 -16.405 6.901 1.00 0.00 N ATOM 501 CA GLY A 33 1.051 -17.114 6.348 1.00 0.00 C ATOM 502 C GLY A 33 1.207 -16.876 4.859 1.00 0.00 C ATOM 503 O GLY A 33 2.277 -17.108 4.296 1.00 0.00 O ATOM 0 H GLY A 33 -0.321 -15.542 6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.960 -16.800 6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.933 -18.182 6.533 1.00 0.00 H new ATOM 507 N GLU A 34 0.138 -16.409 4.218 1.00 0.00 N ATOM 508 CA GLU A 34 0.165 -16.139 2.787 1.00 0.00 C ATOM 509 C GLU A 34 0.815 -14.792 2.503 1.00 0.00 C ATOM 510 O GLU A 34 0.866 -13.919 3.370 1.00 0.00 O ATOM 511 CB GLU A 34 -1.249 -16.169 2.205 1.00 0.00 C ATOM 512 CG GLU A 34 -2.188 -15.150 2.831 1.00 0.00 C ATOM 513 CD GLU A 34 -3.618 -15.306 2.352 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.980 -16.418 1.913 1.00 0.00 O ATOM 515 OE2 GLU A 34 -4.377 -14.316 2.417 1.00 0.00 O ATOM 0 H GLU A 34 -0.755 -16.211 4.668 1.00 0.00 H new ATOM 0 HA GLU A 34 0.758 -16.920 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.195 -15.989 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.667 -17.167 2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.159 -15.252 3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.837 -14.145 2.596 1.00 0.00 H new ATOM 522 N LYS A 35 1.314 -14.630 1.285 1.00 0.00 N ATOM 523 CA LYS A 35 1.964 -13.390 0.886 1.00 0.00 C ATOM 524 C LYS A 35 1.039 -12.540 0.025 1.00 0.00 C ATOM 525 O LYS A 35 0.341 -13.053 -0.850 1.00 0.00 O ATOM 526 CB LYS A 35 3.258 -13.688 0.125 1.00 0.00 C ATOM 527 CG LYS A 35 4.308 -12.596 0.257 1.00 0.00 C ATOM 528 CD LYS A 35 5.456 -13.027 1.156 1.00 0.00 C ATOM 529 CE LYS A 35 5.294 -12.489 2.567 1.00 0.00 C ATOM 530 NZ LYS A 35 5.679 -11.053 2.661 1.00 0.00 N ATOM 0 H LYS A 35 1.281 -15.343 0.556 1.00 0.00 H new ATOM 0 HA LYS A 35 2.203 -12.830 1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.675 -14.627 0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.024 -13.830 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.694 -12.341 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.847 -11.695 0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.507 -14.115 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.399 -12.674 0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.258 -12.609 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.907 -13.075 3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.751 -10.778 3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.598 -10.909 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.958 -10.469 2.192 1.00 0.00 H new ATOM 544 N PHE A 36 1.041 -11.233 0.276 1.00 0.00 N ATOM 545 CA PHE A 36 0.206 -10.302 -0.475 1.00 0.00 C ATOM 546 C PHE A 36 0.315 -10.558 -1.976 1.00 0.00 C ATOM 547 O PHE A 36 -0.628 -10.320 -2.729 1.00 0.00 O ATOM 548 CB PHE A 36 0.605 -8.857 -0.163 1.00 0.00 C ATOM 549 CG PHE A 36 2.087 -8.663 0.001 1.00 0.00 C ATOM 550 CD1 PHE A 36 2.933 -8.723 -1.095 1.00 0.00 C ATOM 551 CD2 PHE A 36 2.633 -8.424 1.252 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.296 -8.549 -0.946 1.00 0.00 C ATOM 553 CE2 PHE A 36 3.994 -8.247 1.407 1.00 0.00 C ATOM 554 CZ PHE A 36 4.827 -8.312 0.307 1.00 0.00 C ATOM 0 H PHE A 36 1.614 -10.794 0.997 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.829 -10.460 -0.172 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.249 -8.210 -0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.102 -8.539 0.751 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.523 -8.908 -2.077 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.987 -8.376 2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.945 -8.598 -1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.406 -8.058 2.387 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.892 -8.178 0.426 1.00 0.00 H new ATOM 564 N GLY A 37 1.476 -11.049 -2.400 1.00 0.00 N ATOM 565 CA GLY A 37 1.690 -11.334 -3.803 1.00 0.00 C ATOM 566 C GLY A 37 0.781 -12.434 -4.315 1.00 0.00 C ATOM 567 O GLY A 37 0.327 -12.391 -5.459 1.00 0.00 O ATOM 0 H GLY A 37 2.271 -11.254 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.522 -10.428 -4.385 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.729 -11.624 -3.958 1.00 0.00 H new ATOM 571 N LYS A 38 0.515 -13.419 -3.466 1.00 0.00 N ATOM 572 CA LYS A 38 -0.346 -14.535 -3.837 1.00 0.00 C ATOM 573 C LYS A 38 -1.777 -14.065 -4.061 1.00 0.00 C ATOM 574 O LYS A 38 -2.365 -14.319 -5.111 1.00 0.00 O ATOM 575 CB LYS A 38 -0.312 -15.616 -2.755 1.00 0.00 C ATOM 576 CG LYS A 38 1.095 -16.017 -2.337 1.00 0.00 C ATOM 577 CD LYS A 38 1.284 -17.527 -2.365 1.00 0.00 C ATOM 578 CE LYS A 38 1.818 -18.050 -1.040 1.00 0.00 C ATOM 579 NZ LYS A 38 2.875 -19.079 -1.236 1.00 0.00 N ATOM 0 H LYS A 38 0.883 -13.468 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 38 0.028 -14.956 -4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.854 -15.259 -1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.839 -16.498 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.820 -15.548 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.296 -15.644 -1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.333 -18.009 -2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.974 -17.793 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.221 -17.221 -0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.999 -18.477 -0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.213 -19.410 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.484 -19.882 -1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.668 -18.665 -1.766 1.00 0.00 H new ATOM 593 N LEU A 39 -2.332 -13.370 -3.069 1.00 0.00 N ATOM 594 CA LEU A 39 -3.695 -12.858 -3.157 1.00 0.00 C ATOM 595 C LEU A 39 -3.873 -12.032 -4.423 1.00 0.00 C ATOM 596 O LEU A 39 -4.951 -12.010 -5.013 1.00 0.00 O ATOM 597 CB LEU A 39 -4.033 -11.996 -1.935 1.00 0.00 C ATOM 598 CG LEU A 39 -4.082 -12.725 -0.583 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.905 -13.999 -0.679 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.681 -13.038 -0.075 1.00 0.00 C ATOM 0 H LEU A 39 -1.856 -13.149 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.371 -13.712 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.296 -11.196 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.001 -11.525 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.563 -12.057 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.923 -14.495 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.923 -13.753 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.460 -14.665 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.748 -13.554 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.167 -13.675 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.124 -12.110 0.051 1.00 0.00 H new ATOM 612 N ALA A 40 -2.802 -11.358 -4.839 1.00 0.00 N ATOM 613 CA ALA A 40 -2.841 -10.524 -6.035 1.00 0.00 C ATOM 614 C ALA A 40 -3.394 -11.309 -7.219 1.00 0.00 C ATOM 615 O ALA A 40 -4.345 -10.884 -7.875 1.00 0.00 O ATOM 616 CB ALA A 40 -1.449 -9.998 -6.350 1.00 0.00 C ATOM 0 H ALA A 40 -1.899 -11.374 -4.365 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.502 -9.678 -5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.489 -9.377 -7.245 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.086 -9.404 -5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.773 -10.836 -6.520 1.00 0.00 H new ATOM 622 N LYS A 41 -2.797 -12.460 -7.476 1.00 0.00 N ATOM 623 CA LYS A 41 -3.225 -13.326 -8.561 1.00 0.00 C ATOM 624 C LYS A 41 -4.351 -14.259 -8.114 1.00 0.00 C ATOM 625 O LYS A 41 -5.094 -14.788 -8.941 1.00 0.00 O ATOM 626 CB LYS A 41 -2.044 -14.148 -9.082 1.00 0.00 C ATOM 627 CG LYS A 41 -1.287 -14.886 -7.989 1.00 0.00 C ATOM 628 CD LYS A 41 -0.684 -16.182 -8.508 1.00 0.00 C ATOM 629 CE LYS A 41 0.531 -15.920 -9.384 1.00 0.00 C ATOM 630 NZ LYS A 41 1.777 -15.786 -8.581 1.00 0.00 N ATOM 0 H LYS A 41 -2.006 -12.819 -6.942 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.604 -12.693 -9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.409 -14.871 -9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.355 -13.486 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.496 -14.247 -7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.961 -15.103 -7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.398 -16.814 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.434 -16.730 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.646 -16.735 -10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.372 -15.010 -9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.582 -15.608 -9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.678 -14.992 -7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.943 -16.664 -8.049 1.00 0.00 H new ATOM 644 N GLU A 42 -4.435 -14.502 -6.805 1.00 0.00 N ATOM 645 CA GLU A 42 -5.432 -15.423 -6.259 1.00 0.00 C ATOM 646 C GLU A 42 -6.867 -14.884 -6.328 1.00 0.00 C ATOM 647 O GLU A 42 -7.682 -15.400 -7.091 1.00 0.00 O ATOM 648 CB GLU A 42 -5.059 -15.766 -4.814 1.00 0.00 C ATOM 649 CG GLU A 42 -4.698 -17.227 -4.611 1.00 0.00 C ATOM 650 CD GLU A 42 -5.854 -18.161 -4.913 1.00 0.00 C ATOM 651 OE1 GLU A 42 -6.809 -18.202 -4.110 1.00 0.00 O ATOM 652 OE2 GLU A 42 -5.802 -18.854 -5.952 1.00 0.00 O ATOM 0 H GLU A 42 -3.827 -14.075 -6.106 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.420 -16.318 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.216 -15.146 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.895 -15.513 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.854 -17.481 -5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.374 -17.378 -3.581 1.00 0.00 H new ATOM 659 N LEU A 43 -7.182 -13.858 -5.538 1.00 0.00 N ATOM 660 CA LEU A 43 -8.536 -13.293 -5.546 1.00 0.00 C ATOM 661 C LEU A 43 -8.548 -11.823 -5.950 1.00 0.00 C ATOM 662 O LEU A 43 -9.607 -11.263 -6.230 1.00 0.00 O ATOM 663 CB LEU A 43 -9.222 -13.463 -4.185 1.00 0.00 C ATOM 664 CG LEU A 43 -8.350 -13.203 -2.957 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.389 -14.358 -2.734 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.596 -11.887 -3.093 1.00 0.00 C ATOM 0 H LEU A 43 -6.533 -13.406 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.095 -13.852 -6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.079 -12.791 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.611 -14.479 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.001 -13.126 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.776 -14.157 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.954 -15.277 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.746 -14.470 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.983 -11.726 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.956 -11.924 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.308 -11.068 -3.196 1.00 0.00 H new ATOM 678 N SER A 44 -7.380 -11.195 -5.964 1.00 0.00 N ATOM 679 CA SER A 44 -7.290 -9.786 -6.320 1.00 0.00 C ATOM 680 C SER A 44 -7.717 -9.554 -7.766 1.00 0.00 C ATOM 681 O SER A 44 -7.344 -10.309 -8.666 1.00 0.00 O ATOM 682 CB SER A 44 -5.862 -9.295 -6.111 1.00 0.00 C ATOM 683 OG SER A 44 -5.747 -8.543 -4.921 1.00 0.00 O ATOM 0 H SER A 44 -6.489 -11.635 -5.735 1.00 0.00 H new ATOM 0 HA SER A 44 -7.967 -9.225 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.184 -10.148 -6.072 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.557 -8.684 -6.961 1.00 0.00 H new ATOM 0 HG SER A 44 -5.229 -9.051 -4.262 1.00 0.00 H new ATOM 689 N ILE A 45 -8.499 -8.499 -7.982 1.00 0.00 N ATOM 690 CA ILE A 45 -8.977 -8.155 -9.317 1.00 0.00 C ATOM 691 C ILE A 45 -8.164 -7.006 -9.904 1.00 0.00 C ATOM 692 O ILE A 45 -8.325 -6.648 -11.071 1.00 0.00 O ATOM 693 CB ILE A 45 -10.465 -7.754 -9.294 1.00 0.00 C ATOM 694 CG1 ILE A 45 -10.669 -6.596 -8.321 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.331 -8.943 -8.904 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.090 -6.101 -8.232 1.00 0.00 C ATOM 0 H ILE A 45 -8.815 -7.867 -7.247 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.858 -9.042 -9.939 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.763 -7.433 -10.292 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.343 -6.909 -7.329 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.027 -5.768 -8.621 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.379 -8.642 -8.893 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.192 -9.747 -9.627 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.043 -9.293 -7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.145 -5.279 -7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.416 -5.754 -9.212 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.738 -6.912 -7.900 1.00 0.00 H new ATOM 708 N ASP A 46 -7.284 -6.433 -9.083 1.00 0.00 N ATOM 709 CA ASP A 46 -6.432 -5.326 -9.504 1.00 0.00 C ATOM 710 C ASP A 46 -5.799 -5.602 -10.867 1.00 0.00 C ATOM 711 O ASP A 46 -5.314 -6.702 -11.129 1.00 0.00 O ATOM 712 CB ASP A 46 -5.343 -5.072 -8.463 1.00 0.00 C ATOM 713 CG ASP A 46 -4.433 -6.268 -8.275 1.00 0.00 C ATOM 714 OD1 ASP A 46 -4.868 -7.396 -8.584 1.00 0.00 O ATOM 715 OD2 ASP A 46 -3.285 -6.077 -7.822 1.00 0.00 O ATOM 0 H ASP A 46 -7.144 -6.722 -8.115 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.056 -4.437 -9.594 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.748 -4.211 -8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.807 -4.819 -7.510 1.00 0.00 H new ATOM 720 N GLY A 47 -5.823 -4.595 -11.730 1.00 0.00 N ATOM 721 CA GLY A 47 -5.263 -4.736 -13.061 1.00 0.00 C ATOM 722 C GLY A 47 -3.773 -5.018 -13.040 1.00 0.00 C ATOM 723 O GLY A 47 -3.186 -5.160 -11.971 1.00 0.00 O ATOM 0 H GLY A 47 -6.223 -3.678 -11.531 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.775 -5.545 -13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.448 -3.824 -13.628 1.00 0.00 H new ATOM 727 N GLY A 48 -3.186 -5.128 -14.240 1.00 0.00 N ATOM 728 CA GLY A 48 -1.758 -5.419 -14.413 1.00 0.00 C ATOM 729 C GLY A 48 -0.911 -5.317 -13.152 1.00 0.00 C ATOM 730 O GLY A 48 -0.063 -6.171 -12.908 1.00 0.00 O ATOM 0 H GLY A 48 -3.690 -5.017 -15.120 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.657 -6.426 -14.817 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.353 -4.734 -15.158 1.00 0.00 H new ATOM 734 N SER A 49 -1.131 -4.282 -12.348 1.00 0.00 N ATOM 735 CA SER A 49 -0.366 -4.099 -11.115 1.00 0.00 C ATOM 736 C SER A 49 -0.370 -5.365 -10.248 1.00 0.00 C ATOM 737 O SER A 49 0.472 -5.519 -9.364 1.00 0.00 O ATOM 738 CB SER A 49 -0.928 -2.920 -10.316 1.00 0.00 C ATOM 739 OG SER A 49 -0.306 -2.823 -9.047 1.00 0.00 O ATOM 0 H SER A 49 -1.829 -3.559 -12.525 1.00 0.00 H new ATOM 0 HA SER A 49 0.666 -3.891 -11.397 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.776 -1.994 -10.871 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.004 -3.042 -10.189 1.00 0.00 H new ATOM 0 HG SER A 49 -0.709 -3.473 -8.434 1.00 0.00 H new ATOM 745 N ALA A 50 -1.308 -6.276 -10.512 1.00 0.00 N ATOM 746 CA ALA A 50 -1.390 -7.527 -9.761 1.00 0.00 C ATOM 747 C ALA A 50 -0.237 -8.447 -10.132 1.00 0.00 C ATOM 748 O ALA A 50 0.122 -9.353 -9.381 1.00 0.00 O ATOM 749 CB ALA A 50 -2.721 -8.218 -10.016 1.00 0.00 C ATOM 0 H ALA A 50 -2.018 -6.171 -11.237 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.320 -7.294 -8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.763 -9.147 -9.448 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.536 -7.565 -9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.819 -8.438 -11.079 1.00 0.00 H new ATOM 755 N LYS A 51 0.339 -8.196 -11.302 1.00 0.00 N ATOM 756 CA LYS A 51 1.454 -8.975 -11.801 1.00 0.00 C ATOM 757 C LYS A 51 2.729 -8.632 -11.045 1.00 0.00 C ATOM 758 O LYS A 51 3.751 -9.305 -11.175 1.00 0.00 O ATOM 759 CB LYS A 51 1.636 -8.684 -13.282 1.00 0.00 C ATOM 760 CG LYS A 51 0.785 -9.559 -14.184 1.00 0.00 C ATOM 761 CD LYS A 51 1.280 -10.997 -14.202 1.00 0.00 C ATOM 762 CE LYS A 51 0.141 -11.980 -13.984 1.00 0.00 C ATOM 763 NZ LYS A 51 0.633 -13.308 -13.524 1.00 0.00 N ATOM 0 H LYS A 51 0.043 -7.446 -11.927 1.00 0.00 H new ATOM 0 HA LYS A 51 1.245 -10.035 -11.654 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.393 -7.638 -13.470 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.685 -8.820 -13.544 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.250 -9.535 -13.843 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.797 -9.157 -15.197 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.764 -11.205 -15.156 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.034 -11.133 -13.426 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.552 -11.575 -13.247 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.416 -12.101 -14.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.174 -13.949 -13.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.275 -13.707 -14.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.143 -13.197 -12.624 1.00 0.00 H new ATOM 777 N ARG A 52 2.650 -7.570 -10.257 1.00 0.00 N ATOM 778 CA ARG A 52 3.776 -7.101 -9.470 1.00 0.00 C ATOM 779 C ARG A 52 3.599 -7.483 -8.001 1.00 0.00 C ATOM 780 O ARG A 52 4.140 -6.827 -7.113 1.00 0.00 O ATOM 781 CB ARG A 52 3.921 -5.582 -9.611 1.00 0.00 C ATOM 782 CG ARG A 52 3.208 -4.999 -10.825 1.00 0.00 C ATOM 783 CD ARG A 52 3.420 -3.495 -10.931 1.00 0.00 C ATOM 784 NE ARG A 52 4.169 -3.132 -12.133 1.00 0.00 N ATOM 785 CZ ARG A 52 5.499 -3.112 -12.204 1.00 0.00 C ATOM 786 NH1 ARG A 52 6.235 -3.425 -11.145 1.00 0.00 N ATOM 787 NH2 ARG A 52 6.095 -2.774 -13.339 1.00 0.00 N ATOM 0 H ARG A 52 1.804 -7.011 -10.147 1.00 0.00 H new ATOM 0 HA ARG A 52 4.683 -7.577 -9.842 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.532 -5.106 -8.711 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.980 -5.333 -9.671 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.574 -5.483 -11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.141 -5.213 -10.759 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.453 -2.992 -10.940 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.955 -3.141 -10.050 1.00 0.00 H new ATOM 0 HE ARG A 52 3.641 -2.879 -12.968 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.783 -3.683 -10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.253 -3.407 -11.208 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.535 -2.530 -14.156 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.113 -2.758 -13.395 1.00 0.00 H new ATOM 801 N ASP A 53 2.822 -8.541 -7.763 1.00 0.00 N ATOM 802 CA ASP A 53 2.551 -9.028 -6.413 1.00 0.00 C ATOM 803 C ASP A 53 1.869 -7.955 -5.564 1.00 0.00 C ATOM 804 O ASP A 53 1.992 -7.943 -4.340 1.00 0.00 O ATOM 805 CB ASP A 53 3.840 -9.538 -5.744 1.00 0.00 C ATOM 806 CG ASP A 53 4.672 -8.446 -5.092 1.00 0.00 C ATOM 807 OD1 ASP A 53 4.334 -8.031 -3.964 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.673 -8.017 -5.705 1.00 0.00 O ATOM 0 H ASP A 53 2.366 -9.081 -8.498 1.00 0.00 H new ATOM 0 HA ASP A 53 1.862 -9.869 -6.491 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.577 -10.279 -4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.449 -10.047 -6.492 1.00 0.00 H new ATOM 813 N GLY A 54 1.137 -7.064 -6.227 1.00 0.00 N ATOM 814 CA GLY A 54 0.436 -6.005 -5.523 1.00 0.00 C ATOM 815 C GLY A 54 1.362 -5.142 -4.690 1.00 0.00 C ATOM 816 O GLY A 54 0.919 -4.453 -3.773 1.00 0.00 O ATOM 0 H GLY A 54 1.017 -7.057 -7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.086 -5.378 -6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.323 -6.445 -4.876 1.00 0.00 H new ATOM 820 N SER A 55 2.650 -5.174 -5.015 1.00 0.00 N ATOM 821 CA SER A 55 3.635 -4.385 -4.292 1.00 0.00 C ATOM 822 C SER A 55 3.550 -2.925 -4.711 1.00 0.00 C ATOM 823 O SER A 55 4.252 -2.486 -5.622 1.00 0.00 O ATOM 824 CB SER A 55 5.045 -4.920 -4.549 1.00 0.00 C ATOM 825 OG SER A 55 5.407 -4.773 -5.911 1.00 0.00 O ATOM 0 H SER A 55 3.034 -5.738 -5.774 1.00 0.00 H new ATOM 0 HA SER A 55 3.421 -4.462 -3.226 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.759 -4.388 -3.920 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.095 -5.972 -4.268 1.00 0.00 H new ATOM 0 HG SER A 55 5.190 -3.866 -6.211 1.00 0.00 H new ATOM 831 N LEU A 56 2.687 -2.177 -4.037 1.00 0.00 N ATOM 832 CA LEU A 56 2.509 -0.767 -4.338 1.00 0.00 C ATOM 833 C LEU A 56 3.797 0.007 -4.062 1.00 0.00 C ATOM 834 O LEU A 56 3.965 1.132 -4.529 1.00 0.00 O ATOM 835 CB LEU A 56 1.346 -0.200 -3.515 1.00 0.00 C ATOM 836 CG LEU A 56 -0.051 -0.537 -4.042 1.00 0.00 C ATOM 837 CD1 LEU A 56 -1.104 0.279 -3.311 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.137 -0.305 -5.544 1.00 0.00 C ATOM 0 H LEU A 56 2.100 -2.525 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 56 2.272 -0.659 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.430 -0.570 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.448 0.884 -3.470 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.241 -1.594 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.092 0.028 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.063 0.054 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.913 1.341 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.140 -0.552 -5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.076 0.741 -5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.590 -0.938 -6.052 1.00 0.00 H new ATOM 850 N GLY A 57 4.708 -0.605 -3.306 1.00 0.00 N ATOM 851 CA GLY A 57 5.971 0.039 -2.986 1.00 0.00 C ATOM 852 C GLY A 57 5.798 1.466 -2.538 1.00 0.00 C ATOM 853 O GLY A 57 4.682 1.916 -2.281 1.00 0.00 O ATOM 0 H GLY A 57 4.592 -1.537 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.473 -0.526 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.619 0.013 -3.862 1.00 0.00 H new ATOM 857 N TYR A 58 6.907 2.180 -2.441 1.00 0.00 N ATOM 858 CA TYR A 58 6.873 3.561 -2.010 1.00 0.00 C ATOM 859 C TYR A 58 6.172 4.461 -3.014 1.00 0.00 C ATOM 860 O TYR A 58 6.693 4.732 -4.096 1.00 0.00 O ATOM 861 CB TYR A 58 8.273 4.099 -1.770 1.00 0.00 C ATOM 862 CG TYR A 58 9.240 3.848 -2.904 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.988 2.681 -2.967 1.00 0.00 C ATOM 864 CD2 TYR A 58 9.403 4.788 -3.912 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.872 2.456 -4.005 1.00 0.00 C ATOM 866 CE2 TYR A 58 10.284 4.571 -4.955 1.00 0.00 C ATOM 867 CZ TYR A 58 11.015 3.403 -4.996 1.00 0.00 C ATOM 868 OH TYR A 58 11.894 3.183 -6.033 1.00 0.00 O ATOM 0 H TYR A 58 7.839 1.824 -2.655 1.00 0.00 H new ATOM 0 HA TYR A 58 6.309 3.570 -1.077 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.211 5.173 -1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.672 3.648 -0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.878 1.937 -2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.832 5.704 -3.881 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.448 1.543 -4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.399 5.312 -5.733 1.00 0.00 H new ATOM 0 HH TYR A 58 11.874 3.947 -6.646 1.00 0.00 H new ATOM 878 N PHE A 59 5.015 4.958 -2.620 1.00 0.00 N ATOM 879 CA PHE A 59 4.250 5.876 -3.438 1.00 0.00 C ATOM 880 C PHE A 59 3.618 6.918 -2.543 1.00 0.00 C ATOM 881 O PHE A 59 3.284 6.644 -1.390 1.00 0.00 O ATOM 882 CB PHE A 59 3.160 5.172 -4.235 1.00 0.00 C ATOM 883 CG PHE A 59 3.657 4.336 -5.386 1.00 0.00 C ATOM 884 CD1 PHE A 59 4.832 4.657 -6.052 1.00 0.00 C ATOM 885 CD2 PHE A 59 2.936 3.229 -5.806 1.00 0.00 C ATOM 886 CE1 PHE A 59 5.276 3.888 -7.110 1.00 0.00 C ATOM 887 CE2 PHE A 59 3.379 2.456 -6.864 1.00 0.00 C ATOM 888 CZ PHE A 59 4.550 2.787 -7.516 1.00 0.00 C ATOM 0 H PHE A 59 4.580 4.736 -1.724 1.00 0.00 H new ATOM 0 HA PHE A 59 4.933 6.335 -4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.591 4.533 -3.560 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.470 5.922 -4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.405 5.517 -5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.018 2.967 -5.301 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.192 4.149 -7.620 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.809 1.594 -7.180 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.897 2.185 -8.343 1.00 0.00 H new ATOM 898 N GLY A 60 3.468 8.109 -3.071 1.00 0.00 N ATOM 899 CA GLY A 60 2.889 9.189 -2.303 1.00 0.00 C ATOM 900 C GLY A 60 1.541 9.623 -2.842 1.00 0.00 C ATOM 901 O GLY A 60 1.004 9.000 -3.758 1.00 0.00 O ATOM 0 H GLY A 60 3.736 8.356 -4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.778 8.875 -1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.570 10.040 -2.307 1.00 0.00 H new ATOM 905 N ARG A 61 0.988 10.690 -2.277 1.00 0.00 N ATOM 906 CA ARG A 61 -0.299 11.193 -2.709 1.00 0.00 C ATOM 907 C ARG A 61 -0.156 11.922 -4.031 1.00 0.00 C ATOM 908 O ARG A 61 0.919 12.424 -4.360 1.00 0.00 O ATOM 909 CB ARG A 61 -0.888 12.131 -1.652 1.00 0.00 C ATOM 910 CG ARG A 61 -0.067 13.391 -1.430 1.00 0.00 C ATOM 911 CD ARG A 61 -0.868 14.646 -1.739 1.00 0.00 C ATOM 912 NE ARG A 61 -0.138 15.863 -1.392 1.00 0.00 N ATOM 913 CZ ARG A 61 -0.454 17.075 -1.844 1.00 0.00 C ATOM 914 NH1 ARG A 61 -1.487 17.235 -2.662 1.00 0.00 N ATOM 915 NH2 ARG A 61 0.263 18.128 -1.478 1.00 0.00 N ATOM 0 H ARG A 61 1.416 11.220 -1.518 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.976 10.349 -2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.897 12.413 -1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.974 11.593 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.277 13.424 -0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.822 13.362 -2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.118 14.664 -2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.809 14.619 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 61 0.662 15.779 -0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.042 16.428 -2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.726 18.165 -3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.058 18.010 -0.850 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.020 19.056 -1.825 1.00 0.00 H new ATOM 929 N GLY A 62 -1.238 11.977 -4.784 1.00 0.00 N ATOM 930 CA GLY A 62 -1.204 12.649 -6.058 1.00 0.00 C ATOM 931 C GLY A 62 -2.124 12.005 -7.077 1.00 0.00 C ATOM 932 O GLY A 62 -2.746 12.693 -7.886 1.00 0.00 O ATOM 0 H GLY A 62 -2.139 11.568 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.490 13.692 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.183 12.645 -6.441 1.00 0.00 H new ATOM 936 N LYS A 63 -2.207 10.678 -7.036 1.00 0.00 N ATOM 937 CA LYS A 63 -3.055 9.934 -7.961 1.00 0.00 C ATOM 938 C LYS A 63 -3.699 8.735 -7.271 1.00 0.00 C ATOM 939 O LYS A 63 -4.065 7.756 -7.922 1.00 0.00 O ATOM 940 CB LYS A 63 -2.240 9.464 -9.166 1.00 0.00 C ATOM 941 CG LYS A 63 -1.922 10.573 -10.155 1.00 0.00 C ATOM 942 CD LYS A 63 -2.811 10.495 -11.387 1.00 0.00 C ATOM 943 CE LYS A 63 -2.069 9.905 -12.576 1.00 0.00 C ATOM 944 NZ LYS A 63 -2.423 10.593 -13.848 1.00 0.00 N ATOM 0 H LYS A 63 -1.697 10.096 -6.372 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.847 10.601 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.307 9.024 -8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.790 8.676 -9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.053 11.541 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.876 10.505 -10.455 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.688 9.886 -11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.171 11.492 -11.640 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.995 9.982 -12.408 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.303 8.844 -12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.896 10.162 -14.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.444 10.498 -14.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.176 11.601 -13.778 1.00 0.00 H new ATOM 958 N MET A 64 -3.841 8.817 -5.950 1.00 0.00 N ATOM 959 CA MET A 64 -4.447 7.737 -5.177 1.00 0.00 C ATOM 960 C MET A 64 -5.779 8.180 -4.587 1.00 0.00 C ATOM 961 O MET A 64 -6.063 9.375 -4.502 1.00 0.00 O ATOM 962 CB MET A 64 -3.506 7.283 -4.056 1.00 0.00 C ATOM 963 CG MET A 64 -2.034 7.313 -4.439 1.00 0.00 C ATOM 964 SD MET A 64 -0.980 6.522 -3.208 1.00 0.00 S ATOM 965 CE MET A 64 -1.223 4.794 -3.614 1.00 0.00 C ATOM 0 H MET A 64 -3.545 9.619 -5.394 1.00 0.00 H new ATOM 0 HA MET A 64 -4.623 6.898 -5.850 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.658 7.922 -3.186 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.774 6.269 -3.758 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.902 6.814 -5.399 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.718 8.348 -4.571 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.311 4.213 -2.696 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.134 4.683 -4.202 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.372 4.433 -4.192 1.00 0.00 H new ATOM 975 N VAL A 65 -6.595 7.214 -4.176 1.00 0.00 N ATOM 976 CA VAL A 65 -7.896 7.518 -3.595 1.00 0.00 C ATOM 977 C VAL A 65 -7.756 7.943 -2.133 1.00 0.00 C ATOM 978 O VAL A 65 -6.865 7.480 -1.421 1.00 0.00 O ATOM 979 CB VAL A 65 -8.858 6.314 -3.702 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.979 5.862 -5.149 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.397 5.166 -2.818 1.00 0.00 C ATOM 0 H VAL A 65 -6.379 6.219 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.318 8.346 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.841 6.631 -3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.660 5.013 -5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.366 6.681 -5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.998 5.567 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.092 4.332 -2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.402 4.846 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.366 5.496 -1.780 1.00 0.00 H new ATOM 991 N LYS A 66 -8.635 8.841 -1.701 1.00 0.00 N ATOM 992 CA LYS A 66 -8.613 9.353 -0.333 1.00 0.00 C ATOM 993 C LYS A 66 -8.752 8.246 0.720 1.00 0.00 C ATOM 994 O LYS A 66 -8.036 8.254 1.719 1.00 0.00 O ATOM 995 CB LYS A 66 -9.723 10.390 -0.147 1.00 0.00 C ATOM 996 CG LYS A 66 -9.207 11.805 0.051 1.00 0.00 C ATOM 997 CD LYS A 66 -8.990 12.511 -1.278 1.00 0.00 C ATOM 998 CE LYS A 66 -7.525 12.492 -1.686 1.00 0.00 C ATOM 999 NZ LYS A 66 -7.330 12.987 -3.077 1.00 0.00 N ATOM 0 H LYS A 66 -9.377 9.232 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.638 9.816 -0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.377 10.370 -1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.330 10.110 0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.917 12.371 0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.270 11.777 0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.590 12.029 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.335 13.542 -1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.948 13.109 -0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.138 11.476 -1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.318 12.958 -3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.860 12.383 -3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.675 13.965 -3.149 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.677 7.285 0.528 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.881 6.206 1.496 1.00 0.00 C ATOM 1015 C PRO A 67 -8.669 5.294 1.604 1.00 0.00 C ATOM 1016 O PRO A 67 -8.268 4.898 2.698 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.082 5.427 0.953 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.233 5.833 -0.472 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.590 7.184 -0.622 1.00 0.00 C ATOM 0 HA PRO A 67 -10.042 6.600 2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.918 4.353 1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.984 5.657 1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.758 5.106 -1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.286 5.875 -0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.051 7.265 -1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.333 7.981 -0.610 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.094 4.963 0.458 1.00 0.00 N ATOM 1028 CA PHE A 68 -6.923 4.093 0.414 1.00 0.00 C ATOM 1029 C PHE A 68 -5.674 4.842 0.862 1.00 0.00 C ATOM 1030 O PHE A 68 -4.918 4.360 1.707 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.721 3.535 -0.996 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.845 2.315 -1.044 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -4.465 2.436 -1.025 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -6.403 1.048 -1.112 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -3.658 1.315 -1.073 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -5.600 -0.076 -1.160 1.00 0.00 C ATOM 1037 CZ PHE A 68 -4.225 0.058 -1.141 1.00 0.00 C ATOM 0 H PHE A 68 -8.417 5.282 -0.455 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.094 3.263 1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.694 3.290 -1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.283 4.310 -1.625 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.015 3.416 -0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.477 0.938 -1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.583 1.422 -1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.047 -1.058 -1.212 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.595 -0.819 -1.179 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.463 6.022 0.291 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.307 6.840 0.631 1.00 0.00 C ATOM 1049 C GLU A 69 -4.307 7.188 2.115 1.00 0.00 C ATOM 1050 O GLU A 69 -3.252 7.324 2.733 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.310 8.121 -0.205 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.935 8.746 -0.373 1.00 0.00 C ATOM 1053 CD GLU A 69 -2.936 10.237 -0.102 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.586 10.979 -0.868 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -2.286 10.664 0.875 1.00 0.00 O ATOM 0 H GLU A 69 -6.079 6.433 -0.410 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.405 6.269 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.721 7.900 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.975 8.848 0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.233 8.258 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.579 8.565 -1.387 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.502 7.330 2.679 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.650 7.664 4.090 1.00 0.00 C ATOM 1064 C ASP A 70 -5.108 6.549 4.983 1.00 0.00 C ATOM 1065 O ASP A 70 -4.375 6.807 5.936 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.120 7.925 4.421 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.494 9.386 4.274 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.715 10.248 4.735 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -8.566 9.670 3.699 1.00 0.00 O ATOM 0 H ASP A 70 -6.384 7.219 2.179 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.071 8.568 4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.750 7.324 3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.323 7.602 5.442 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.483 5.312 4.671 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.042 4.159 5.451 1.00 0.00 C ATOM 1076 C ALA A 71 -3.582 3.809 5.168 1.00 0.00 C ATOM 1077 O ALA A 71 -2.943 3.101 5.947 1.00 0.00 O ATOM 1078 CB ALA A 71 -5.935 2.963 5.166 1.00 0.00 C ATOM 0 H ALA A 71 -6.090 5.082 3.885 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.119 4.423 6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.597 2.109 5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.963 3.204 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.886 2.717 4.105 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.058 4.300 4.048 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.675 4.028 3.663 1.00 0.00 C ATOM 1086 C ALA A 72 -0.698 4.405 4.775 1.00 0.00 C ATOM 1087 O ALA A 72 0.131 3.592 5.187 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.331 4.774 2.383 1.00 0.00 C ATOM 0 H ALA A 72 -3.570 4.888 3.391 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.581 2.956 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.298 4.564 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.995 4.448 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.453 5.845 2.542 1.00 0.00 H new ATOM 1094 N PHE A 73 -0.795 5.641 5.253 1.00 0.00 N ATOM 1095 CA PHE A 73 0.089 6.123 6.313 1.00 0.00 C ATOM 1096 C PHE A 73 -0.466 5.811 7.701 1.00 0.00 C ATOM 1097 O PHE A 73 -0.030 6.397 8.692 1.00 0.00 O ATOM 1098 CB PHE A 73 0.335 7.631 6.180 1.00 0.00 C ATOM 1099 CG PHE A 73 -0.855 8.411 5.694 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.999 8.513 6.469 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -0.825 9.044 4.461 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -3.091 9.231 6.022 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -1.914 9.764 4.011 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.049 9.858 4.791 1.00 0.00 C ATOM 0 H PHE A 73 -1.475 6.327 4.925 1.00 0.00 H new ATOM 0 HA PHE A 73 1.036 5.596 6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.641 8.024 7.149 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.166 7.793 5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.037 8.026 7.432 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.060 8.973 3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.978 9.302 6.634 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.878 10.253 3.049 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.902 10.420 4.440 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.424 4.891 7.776 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.018 4.522 9.053 1.00 0.00 C ATOM 1116 C ARG A 74 -1.422 3.217 9.568 1.00 0.00 C ATOM 1117 O ARG A 74 -1.313 3.007 10.775 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.536 4.382 8.912 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.305 4.836 10.143 1.00 0.00 C ATOM 1120 CD ARG A 74 -5.630 5.480 9.766 1.00 0.00 C ATOM 1121 NE ARG A 74 -6.463 5.745 10.936 1.00 0.00 N ATOM 1122 CZ ARG A 74 -7.508 6.569 10.930 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -7.852 7.210 9.820 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -8.212 6.754 12.040 1.00 0.00 N ATOM 0 H ARG A 74 -1.802 4.391 6.971 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.799 5.312 9.771 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.868 4.963 8.052 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.779 3.340 8.706 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.487 3.982 10.795 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.702 5.546 10.709 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.441 6.414 9.237 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.168 4.827 9.079 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.230 5.271 11.809 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.314 7.073 8.964 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.654 7.840 9.823 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.952 6.265 12.896 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.013 7.385 12.037 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.044 2.341 8.643 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.464 1.054 9.007 1.00 0.00 C ATOM 1140 C LEU A 75 1.044 1.037 8.804 1.00 0.00 C ATOM 1141 O LEU A 75 1.558 0.344 7.924 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.114 -0.069 8.198 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.583 -0.356 8.518 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -2.858 -1.831 8.336 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -2.941 0.070 9.937 1.00 0.00 C ATOM 0 H LEU A 75 -1.129 2.498 7.639 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.659 0.894 10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.034 0.178 7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.542 -0.983 8.356 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.201 0.224 7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.904 -2.037 8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.648 -2.116 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.221 -2.406 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.991 -0.149 10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.321 -0.476 10.648 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.767 1.140 10.051 1.00 0.00 H new ATOM 1157 N GLN A 76 1.752 1.787 9.634 1.00 0.00 N ATOM 1158 CA GLN A 76 3.205 1.841 9.563 1.00 0.00 C ATOM 1159 C GLN A 76 3.808 0.596 10.208 1.00 0.00 C ATOM 1160 O GLN A 76 4.979 0.276 9.999 1.00 0.00 O ATOM 1161 CB GLN A 76 3.722 3.098 10.260 1.00 0.00 C ATOM 1162 CG GLN A 76 3.761 4.321 9.355 1.00 0.00 C ATOM 1163 CD GLN A 76 4.970 5.200 9.614 1.00 0.00 C ATOM 1164 OE1 GLN A 76 5.546 5.178 10.702 1.00 0.00 O ATOM 1165 NE2 GLN A 76 5.359 5.979 8.613 1.00 0.00 N ATOM 0 H GLN A 76 1.344 2.368 10.366 1.00 0.00 H new ATOM 0 HA GLN A 76 3.504 1.875 8.515 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.089 3.313 11.121 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.725 2.906 10.642 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.768 3.998 8.314 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.853 4.906 9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.851 5.964 7.728 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.166 6.592 8.728 1.00 0.00 H new ATOM 1174 N VAL A 77 2.988 -0.105 10.989 1.00 0.00 N ATOM 1175 CA VAL A 77 3.412 -1.322 11.671 1.00 0.00 C ATOM 1176 C VAL A 77 3.652 -2.451 10.673 1.00 0.00 C ATOM 1177 O VAL A 77 4.427 -3.370 10.936 1.00 0.00 O ATOM 1178 CB VAL A 77 2.354 -1.777 12.707 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.956 -1.707 12.113 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.643 -3.184 13.217 1.00 0.00 C ATOM 0 H VAL A 77 2.017 0.154 11.165 1.00 0.00 H new ATOM 0 HA VAL A 77 4.344 -1.095 12.188 1.00 0.00 H new ATOM 0 HB VAL A 77 2.409 -1.094 13.555 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.228 -2.031 12.857 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.738 -0.681 11.815 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.898 -2.359 11.241 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.882 -3.472 13.942 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.631 -3.884 12.381 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.623 -3.204 13.693 1.00 0.00 H new ATOM 1190 N GLY A 78 2.965 -2.388 9.539 1.00 0.00 N ATOM 1191 CA GLY A 78 3.106 -3.425 8.537 1.00 0.00 C ATOM 1192 C GLY A 78 2.009 -4.447 8.654 1.00 0.00 C ATOM 1193 O GLY A 78 2.263 -5.623 8.909 1.00 0.00 O ATOM 0 H GLY A 78 2.315 -1.640 9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.086 -2.979 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.074 -3.913 8.648 1.00 0.00 H new ATOM 1197 N GLU A 79 0.782 -3.987 8.506 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.369 -4.855 8.635 1.00 0.00 C ATOM 1199 C GLU A 79 -1.438 -4.495 7.622 1.00 0.00 C ATOM 1200 O GLU A 79 -1.305 -3.520 6.882 1.00 0.00 O ATOM 1201 CB GLU A 79 -0.925 -4.712 10.043 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.677 -5.929 10.545 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.143 -5.645 10.807 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.444 -4.605 11.430 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -3.990 -6.462 10.390 1.00 0.00 O ATOM 0 H GLU A 79 0.558 -3.014 8.296 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.064 -5.885 8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.102 -4.501 10.726 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.592 -3.850 10.072 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.592 -6.731 9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.211 -6.286 11.463 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.509 -5.274 7.603 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.602 -5.010 6.689 1.00 0.00 C ATOM 1214 C VAL A 80 -4.557 -3.992 7.303 1.00 0.00 C ATOM 1215 O VAL A 80 -4.704 -3.936 8.524 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.380 -6.291 6.329 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.471 -5.983 5.317 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.436 -7.360 5.796 1.00 0.00 C ATOM 0 H VAL A 80 -2.641 -6.086 8.206 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.169 -4.613 5.771 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.851 -6.675 7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.011 -6.898 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.164 -5.255 5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.022 -5.575 4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.004 -8.256 5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.934 -6.989 4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.693 -7.601 6.556 1.00 0.00 H new ATOM 1228 N SER A 81 -5.191 -3.177 6.466 1.00 0.00 N ATOM 1229 CA SER A 81 -6.105 -2.155 6.964 1.00 0.00 C ATOM 1230 C SER A 81 -7.558 -2.554 6.740 1.00 0.00 C ATOM 1231 O SER A 81 -7.857 -3.469 5.974 1.00 0.00 O ATOM 1232 CB SER A 81 -5.822 -0.816 6.281 1.00 0.00 C ATOM 1233 OG SER A 81 -6.180 0.269 7.119 1.00 0.00 O ATOM 0 H SER A 81 -5.091 -3.203 5.451 1.00 0.00 H new ATOM 0 HA SER A 81 -5.942 -2.055 8.037 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.764 -0.750 6.027 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.379 -0.756 5.346 1.00 0.00 H new ATOM 0 HG SER A 81 -6.907 0.778 6.703 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.455 -1.866 7.442 1.00 0.00 N ATOM 1240 CA GLU A 82 -9.884 -2.142 7.363 1.00 0.00 C ATOM 1241 C GLU A 82 -10.383 -2.192 5.920 1.00 0.00 C ATOM 1242 O GLU A 82 -9.766 -1.636 5.008 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.664 -1.081 8.141 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.588 -1.259 9.648 1.00 0.00 C ATOM 1245 CD GLU A 82 -10.815 0.036 10.401 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -11.990 0.387 10.638 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -9.818 0.700 10.755 1.00 0.00 O ATOM 0 H GLU A 82 -8.212 -1.106 8.078 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.050 -3.125 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.281 -0.095 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.709 -1.109 7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.331 -1.992 9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.611 -1.663 9.913 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.523 -2.861 5.700 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.119 -2.983 4.371 1.00 0.00 C ATOM 1256 C PRO A 83 -12.395 -1.623 3.749 1.00 0.00 C ATOM 1257 O PRO A 83 -13.352 -0.942 4.119 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.432 -3.736 4.621 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.681 -3.617 6.086 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.327 -3.544 6.725 1.00 0.00 C ATOM 0 HA PRO A 83 -11.457 -3.495 3.673 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.250 -3.302 4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.350 -4.780 4.319 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.269 -2.727 6.312 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.243 -4.473 6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.350 -2.985 7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.934 -4.534 6.955 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.553 -1.234 2.802 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.709 0.049 2.129 1.00 0.00 C ATOM 1270 C VAL A 84 -12.336 -0.135 0.754 1.00 0.00 C ATOM 1271 O VAL A 84 -11.683 -0.597 -0.182 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.357 0.768 1.957 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.553 2.108 1.267 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.666 0.953 3.296 1.00 0.00 C ATOM 0 H VAL A 84 -10.757 -1.786 2.483 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.360 0.657 2.758 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.718 0.145 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.589 2.603 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.998 1.950 0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.213 2.733 1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.714 1.463 3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.299 1.550 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.488 -0.021 3.751 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.607 0.232 0.638 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.322 0.110 -0.622 1.00 0.00 C ATOM 1286 C LYS A 85 -14.360 1.442 -1.356 1.00 0.00 C ATOM 1287 O LYS A 85 -15.001 2.394 -0.910 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.748 -0.385 -0.374 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.469 -0.819 -1.640 1.00 0.00 C ATOM 1290 CD LYS A 85 -16.999 0.376 -2.415 1.00 0.00 C ATOM 1291 CE LYS A 85 -18.096 -0.030 -3.386 1.00 0.00 C ATOM 1292 NZ LYS A 85 -19.089 1.060 -3.590 1.00 0.00 N ATOM 0 H LYS A 85 -14.162 0.616 1.403 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.793 -0.613 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.717 -1.223 0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.321 0.408 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.788 -1.390 -2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.295 -1.482 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.386 1.120 -1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.183 0.846 -2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -17.651 -0.300 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.604 -0.918 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -19.820 0.743 -4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -19.532 1.300 -2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -18.609 1.899 -3.974 1.00 0.00 H new ATOM 1306 N SER A 86 -13.674 1.503 -2.491 1.00 0.00 N ATOM 1307 CA SER A 86 -13.635 2.718 -3.296 1.00 0.00 C ATOM 1308 C SER A 86 -14.405 2.521 -4.596 1.00 0.00 C ATOM 1309 O SER A 86 -15.063 1.499 -4.788 1.00 0.00 O ATOM 1310 CB SER A 86 -12.188 3.111 -3.596 1.00 0.00 C ATOM 1311 OG SER A 86 -11.434 3.233 -2.404 1.00 0.00 O ATOM 0 H SER A 86 -13.137 0.725 -2.875 1.00 0.00 H new ATOM 0 HA SER A 86 -14.107 3.521 -2.730 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.732 2.362 -4.243 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.170 4.056 -4.139 1.00 0.00 H new ATOM 0 HG SER A 86 -10.603 2.720 -2.488 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.317 3.500 -5.488 1.00 0.00 N ATOM 1318 CA GLU A 87 -15.007 3.426 -6.771 1.00 0.00 C ATOM 1319 C GLU A 87 -14.579 2.184 -7.551 1.00 0.00 C ATOM 1320 O GLU A 87 -15.280 1.736 -8.456 1.00 0.00 O ATOM 1321 CB GLU A 87 -14.727 4.682 -7.598 1.00 0.00 C ATOM 1322 CG GLU A 87 -13.251 5.046 -7.670 1.00 0.00 C ATOM 1323 CD GLU A 87 -12.989 6.493 -7.303 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -13.582 6.972 -6.314 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -12.190 7.148 -8.004 1.00 0.00 O ATOM 0 H GLU A 87 -13.776 4.353 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.077 3.359 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.106 4.533 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.279 5.519 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.687 4.397 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.883 4.859 -8.679 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.420 1.633 -7.195 1.00 0.00 N ATOM 1333 CA PHE A 88 -12.898 0.447 -7.863 1.00 0.00 C ATOM 1334 C PHE A 88 -13.404 -0.833 -7.201 1.00 0.00 C ATOM 1335 O PHE A 88 -13.573 -1.856 -7.863 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.368 0.471 -7.851 1.00 0.00 C ATOM 1337 CG PHE A 88 -10.768 1.145 -9.053 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -10.648 2.524 -9.103 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.323 0.398 -10.132 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.097 3.147 -10.206 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -9.771 1.014 -11.238 1.00 0.00 C ATOM 1342 CZ PHE A 88 -9.658 2.391 -11.275 1.00 0.00 C ATOM 0 H PHE A 88 -12.826 1.991 -6.447 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.254 0.457 -8.893 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.028 0.982 -6.950 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.997 -0.552 -7.796 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.989 3.120 -8.269 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.409 -0.678 -10.108 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.010 4.223 -10.232 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.428 0.421 -12.073 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.227 2.875 -12.139 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.643 -0.772 -5.893 1.00 0.00 N ATOM 1353 CA GLY A 89 -14.123 -1.943 -5.176 1.00 0.00 C ATOM 1354 C GLY A 89 -13.553 -2.052 -3.779 1.00 0.00 C ATOM 1355 O GLY A 89 -12.923 -1.120 -3.280 1.00 0.00 O ATOM 0 H GLY A 89 -13.514 0.061 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.211 -1.906 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.864 -2.839 -5.740 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.779 -3.198 -3.151 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.293 -3.447 -1.807 1.00 0.00 C ATOM 1361 C TYR A 90 -11.792 -3.707 -1.835 1.00 0.00 C ATOM 1362 O TYR A 90 -11.346 -4.811 -2.146 1.00 0.00 O ATOM 1363 CB TYR A 90 -14.044 -4.641 -1.223 1.00 0.00 C ATOM 1364 CG TYR A 90 -14.988 -4.279 -0.098 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -16.163 -3.582 -0.353 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -14.710 -4.637 1.214 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -17.034 -3.254 0.669 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -15.576 -4.312 2.242 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.735 -3.621 1.964 1.00 0.00 C ATOM 1370 OH TYR A 90 -17.600 -3.297 2.984 1.00 0.00 O ATOM 0 H TYR A 90 -14.301 -3.974 -3.558 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.470 -2.574 -1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.611 -5.126 -2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.320 -5.370 -0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -16.399 -3.292 -1.366 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.802 -5.178 1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -17.944 -2.713 0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -15.345 -4.598 3.257 1.00 0.00 H new ATOM 0 HH TYR A 90 -17.243 -3.629 3.834 1.00 0.00 H new ATOM 1380 N HIS A 91 -11.016 -2.671 -1.533 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.560 -2.769 -1.548 1.00 0.00 C ATOM 1382 C HIS A 91 -8.997 -3.217 -0.205 1.00 0.00 C ATOM 1383 O HIS A 91 -9.702 -3.262 0.804 1.00 0.00 O ATOM 1384 CB HIS A 91 -8.950 -1.421 -1.934 1.00 0.00 C ATOM 1385 CG HIS A 91 -8.722 -1.266 -3.406 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -7.803 -1.834 -4.224 1.00 0.00 N flip ATOM 1387 CD2 HIS A 91 -9.489 -0.445 -4.206 1.00 0.00 C flip ATOM 1388 CE1 HIS A 91 -8.031 -1.349 -5.489 1.00 0.00 C flip ATOM 1389 NE2 HIS A 91 -9.052 -0.516 -5.450 1.00 0.00 N flip ATOM 0 H HIS A 91 -11.372 -1.751 -1.274 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.295 -3.525 -2.287 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.607 -0.622 -1.591 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.001 -1.299 -1.413 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -7.078 -2.497 -3.952 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -10.317 0.161 -3.868 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -7.466 -1.608 -6.372 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.707 -3.531 -0.212 1.00 0.00 N ATOM 1399 CA VAL A 92 -6.995 -3.962 0.982 1.00 0.00 C ATOM 1400 C VAL A 92 -5.607 -3.333 1.005 1.00 0.00 C ATOM 1401 O VAL A 92 -4.919 -3.304 -0.015 1.00 0.00 O ATOM 1402 CB VAL A 92 -6.861 -5.495 1.036 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.266 -5.934 2.365 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.208 -6.158 0.801 1.00 0.00 C ATOM 0 H VAL A 92 -7.125 -3.493 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.569 -3.639 1.851 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.185 -5.809 0.241 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.179 -7.020 2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.278 -5.489 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.913 -5.608 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.093 -7.241 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.910 -5.838 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.589 -5.871 -0.179 1.00 0.00 H new ATOM 1414 N ILE A 93 -5.201 -2.806 2.155 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.897 -2.156 2.262 1.00 0.00 C ATOM 1416 C ILE A 93 -2.983 -2.850 3.263 1.00 0.00 C ATOM 1417 O ILE A 93 -3.311 -2.959 4.445 1.00 0.00 O ATOM 1418 CB ILE A 93 -4.042 -0.676 2.676 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.419 -0.140 2.260 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.918 0.150 2.065 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.506 1.372 2.203 1.00 0.00 C ATOM 0 H ILE A 93 -5.747 -2.815 3.017 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.448 -2.224 1.271 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.967 -0.599 3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.673 -0.544 1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.167 -0.510 2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.029 1.193 2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.957 -0.227 2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.962 0.077 0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.511 1.668 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.286 1.786 3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.784 1.751 1.480 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.822 -3.290 2.787 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.840 -3.944 3.642 1.00 0.00 C ATOM 1435 C LYS A 94 0.531 -3.294 3.468 1.00 0.00 C ATOM 1436 O LYS A 94 1.180 -3.460 2.436 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.761 -5.438 3.322 1.00 0.00 C ATOM 1438 CG LYS A 94 -0.556 -6.313 4.548 1.00 0.00 C ATOM 1439 CD LYS A 94 0.867 -6.212 5.079 1.00 0.00 C ATOM 1440 CE LYS A 94 1.540 -7.574 5.134 1.00 0.00 C ATOM 1441 NZ LYS A 94 1.022 -8.405 6.256 1.00 0.00 N ATOM 0 H LYS A 94 -1.539 -3.205 1.811 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.154 -3.828 4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.679 -5.742 2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.058 -5.609 2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.258 -6.017 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.778 -7.350 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.447 -5.544 4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.854 -5.771 6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.379 -8.097 4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.616 -7.443 5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.431 -9.360 6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.287 -7.969 7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.014 -8.468 6.192 1.00 0.00 H new ATOM 1455 N ARG A 95 0.960 -2.551 4.480 1.00 0.00 N ATOM 1456 CA ARG A 95 2.247 -1.864 4.437 1.00 0.00 C ATOM 1457 C ARG A 95 3.405 -2.840 4.242 1.00 0.00 C ATOM 1458 O ARG A 95 3.510 -3.856 4.929 1.00 0.00 O ATOM 1459 CB ARG A 95 2.450 -1.044 5.714 1.00 0.00 C ATOM 1460 CG ARG A 95 3.810 -0.365 5.796 1.00 0.00 C ATOM 1461 CD ARG A 95 4.839 -1.255 6.473 1.00 0.00 C ATOM 1462 NE ARG A 95 6.157 -1.135 5.853 1.00 0.00 N ATOM 1463 CZ ARG A 95 7.263 -1.683 6.351 1.00 0.00 C ATOM 1464 NH1 ARG A 95 7.215 -2.384 7.477 1.00 0.00 N ATOM 1465 NH2 ARG A 95 8.420 -1.530 5.721 1.00 0.00 N ATOM 0 H ARG A 95 0.435 -2.408 5.343 1.00 0.00 H new ATOM 0 HA ARG A 95 2.236 -1.193 3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.670 -0.285 5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 95 2.327 -1.697 6.578 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.152 -0.111 4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.718 0.570 6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.909 -0.991 7.528 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.509 -2.293 6.425 1.00 0.00 H new ATOM 0 HE ARG A 95 6.234 -0.600 4.988 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.328 -2.505 7.965 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.066 -2.802 7.854 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.462 -0.992 4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.268 -1.950 6.102 1.00 0.00 H new ATOM 1479 N LEU A 96 4.276 -2.501 3.297 1.00 0.00 N ATOM 1480 CA LEU A 96 5.438 -3.293 2.976 1.00 0.00 C ATOM 1481 C LEU A 96 6.467 -2.436 2.232 1.00 0.00 C ATOM 1482 O LEU A 96 6.216 -1.957 1.126 1.00 0.00 O ATOM 1483 CB LEU A 96 5.020 -4.493 2.122 1.00 0.00 C ATOM 1484 CG LEU A 96 5.212 -4.340 0.606 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.665 -4.591 0.221 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.285 -5.278 -0.154 1.00 0.00 C ATOM 0 H LEU A 96 4.186 -1.657 2.731 1.00 0.00 H new ATOM 0 HA LEU A 96 5.894 -3.657 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.585 -5.364 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.968 -4.703 2.316 1.00 0.00 H new ATOM 0 HG LEU A 96 4.957 -3.316 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.781 -4.478 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.306 -3.873 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.949 -5.602 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.439 -5.152 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.502 -6.309 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.249 -5.046 0.094 1.00 0.00 H new ATOM 1498 N GLY A 97 7.621 -2.243 2.842 1.00 0.00 N ATOM 1499 CA GLY A 97 8.661 -1.452 2.218 1.00 0.00 C ATOM 1500 C GLY A 97 10.039 -1.761 2.771 1.00 0.00 C ATOM 1501 O GLY A 97 10.762 -2.564 2.145 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.395 -1.200 3.828 1.00 0.00 O ATOM 0 H GLY A 97 7.859 -2.619 3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.656 -1.634 1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.444 -0.394 2.363 1.00 0.00 H new TER 1506 GLY A 97