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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 152:sc= -0.511 (180deg=-1.77!) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0253 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+ 172:sc= -0.358 (180deg=-0.412) USER MOD Single : A 12 CYS SG : rot 166:sc= -11.5! USER MOD Single : A 13 SER OG : rot 122:sc= -0.646 USER MOD Single : A 14 HIS : no HE2:sc= -5.26! C(o=-5.3!,f=-7.1!) USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= -0.291 (180deg=-1.02) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -3.73! C(o=-3.7!,f=-5!) USER MOD Single : A 27 GLN : amide:sc= -0.863 K(o=-0.86,f=-0.037) USER MOD Single : A 31 LYS NZ :NH3+ -141:sc= -0.0191 (180deg=-0.771) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 179:sc= -7.86! USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 47:sc= 0.641 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -0.251 (180deg=-1.01) USER MOD Single : A 64 MET CE :methyl 178:sc= -1.37 (180deg=-1.39) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 81 SER OG : rot 90:sc= -0.0645 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 150:sc= -0.546 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -9.49! C(o=-9.5!,f=-9.6!) USER MOD Single : A 94 LYS NZ :NH3+ 149:sc= -0.698 (180deg=-2.45!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.480 19.263 -9.386 1.00 0.00 N ATOM 2 CA GLY A 1 12.817 19.917 -9.341 1.00 0.00 C ATOM 3 C GLY A 1 13.778 19.212 -8.401 1.00 0.00 C ATOM 4 O GLY A 1 14.486 18.292 -8.811 1.00 0.00 O ATOM 0 H1 GLY A 1 10.862 19.782 -10.041 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.585 18.281 -9.713 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.059 19.268 -8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.243 19.935 -10.344 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.700 20.954 -9.025 1.00 0.00 H new ATOM 10 N PRO A 2 13.825 19.622 -7.122 1.00 0.00 N ATOM 11 CA PRO A 2 14.715 19.012 -6.129 1.00 0.00 C ATOM 12 C PRO A 2 14.564 17.496 -6.070 1.00 0.00 C ATOM 13 O PRO A 2 13.638 16.977 -5.446 1.00 0.00 O ATOM 14 CB PRO A 2 14.266 19.645 -4.809 1.00 0.00 C ATOM 15 CG PRO A 2 13.652 20.943 -5.202 1.00 0.00 C ATOM 16 CD PRO A 2 13.015 20.712 -6.544 1.00 0.00 C ATOM 0 HA PRO A 2 15.765 19.185 -6.364 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.550 19.009 -4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.109 19.794 -4.134 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.911 21.262 -4.469 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.405 21.729 -5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.967 20.427 -6.448 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.046 21.608 -7.164 1.00 0.00 H new ATOM 24 N MET A 3 15.480 16.789 -6.723 1.00 0.00 N ATOM 25 CA MET A 3 15.447 15.331 -6.745 1.00 0.00 C ATOM 26 C MET A 3 16.428 14.750 -5.731 1.00 0.00 C ATOM 27 O MET A 3 17.601 15.121 -5.703 1.00 0.00 O ATOM 28 CB MET A 3 15.779 14.813 -8.147 1.00 0.00 C ATOM 29 CG MET A 3 17.194 15.137 -8.598 1.00 0.00 C ATOM 30 SD MET A 3 17.399 15.004 -10.385 1.00 0.00 S ATOM 31 CE MET A 3 16.136 16.138 -10.955 1.00 0.00 C ATOM 0 H MET A 3 16.254 17.201 -7.244 1.00 0.00 H new ATOM 0 HA MET A 3 14.440 15.011 -6.476 1.00 0.00 H new ATOM 0 HB2 MET A 3 15.639 13.732 -8.168 1.00 0.00 H new ATOM 0 HB3 MET A 3 15.073 15.240 -8.859 1.00 0.00 H new ATOM 0 HG2 MET A 3 17.450 16.148 -8.281 1.00 0.00 H new ATOM 0 HG3 MET A 3 17.893 14.461 -8.104 1.00 0.00 H new ATOM 0 HE1 MET A 3 16.427 16.551 -11.921 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.190 15.607 -11.058 1.00 0.00 H new ATOM 0 HE3 MET A 3 16.021 16.947 -10.234 1.00 0.00 H new ATOM 41 N GLY A 4 15.938 13.837 -4.899 1.00 0.00 N ATOM 42 CA GLY A 4 16.783 13.219 -3.895 1.00 0.00 C ATOM 43 C GLY A 4 16.026 12.882 -2.625 1.00 0.00 C ATOM 44 O GLY A 4 16.500 13.151 -1.523 1.00 0.00 O ATOM 0 H GLY A 4 14.970 13.514 -4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.222 12.309 -4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.607 13.891 -3.655 1.00 0.00 H new ATOM 48 N SER A 5 14.845 12.293 -2.783 1.00 0.00 N ATOM 49 CA SER A 5 14.018 11.919 -1.642 1.00 0.00 C ATOM 50 C SER A 5 14.585 10.690 -0.939 1.00 0.00 C ATOM 51 O SER A 5 15.421 9.977 -1.493 1.00 0.00 O ATOM 52 CB SER A 5 12.583 11.646 -2.092 1.00 0.00 C ATOM 53 OG SER A 5 12.559 10.835 -3.255 1.00 0.00 O ATOM 0 H SER A 5 14.439 12.064 -3.691 1.00 0.00 H new ATOM 0 HA SER A 5 14.018 12.751 -0.938 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.034 11.153 -1.290 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.075 12.590 -2.292 1.00 0.00 H new ATOM 0 HG SER A 5 11.630 10.673 -3.522 1.00 0.00 H new ATOM 59 N MET A 6 14.123 10.448 0.284 1.00 0.00 N ATOM 60 CA MET A 6 14.584 9.305 1.063 1.00 0.00 C ATOM 61 C MET A 6 13.508 8.226 1.135 1.00 0.00 C ATOM 62 O MET A 6 13.611 7.188 0.483 1.00 0.00 O ATOM 63 CB MET A 6 14.976 9.748 2.473 1.00 0.00 C ATOM 64 CG MET A 6 16.453 10.074 2.620 1.00 0.00 C ATOM 65 SD MET A 6 17.457 8.613 2.957 1.00 0.00 S ATOM 66 CE MET A 6 19.070 9.179 2.423 1.00 0.00 C ATOM 0 H MET A 6 13.430 11.028 0.756 1.00 0.00 H new ATOM 0 HA MET A 6 15.459 8.886 0.566 1.00 0.00 H new ATOM 0 HB2 MET A 6 14.390 10.626 2.745 1.00 0.00 H new ATOM 0 HB3 MET A 6 14.715 8.959 3.178 1.00 0.00 H new ATOM 0 HG2 MET A 6 16.808 10.552 1.707 1.00 0.00 H new ATOM 0 HG3 MET A 6 16.584 10.794 3.428 1.00 0.00 H new ATOM 0 HE1 MET A 6 19.801 8.384 2.569 1.00 0.00 H new ATOM 0 HE2 MET A 6 19.031 9.446 1.367 1.00 0.00 H new ATOM 0 HE3 MET A 6 19.361 10.052 3.007 1.00 0.00 H new ATOM 76 N ALA A 7 12.476 8.477 1.933 1.00 0.00 N ATOM 77 CA ALA A 7 11.383 7.526 2.092 1.00 0.00 C ATOM 78 C ALA A 7 10.069 8.239 2.397 1.00 0.00 C ATOM 79 O ALA A 7 9.207 7.700 3.090 1.00 0.00 O ATOM 80 CB ALA A 7 11.707 6.524 3.188 1.00 0.00 C ATOM 0 H ALA A 7 12.374 9.332 2.480 1.00 0.00 H new ATOM 0 HA ALA A 7 11.265 6.991 1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.881 5.821 3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.615 5.980 2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.858 7.051 4.130 1.00 0.00 H new ATOM 86 N ASP A 8 9.920 9.453 1.871 1.00 0.00 N ATOM 87 CA ASP A 8 8.706 10.236 2.087 1.00 0.00 C ATOM 88 C ASP A 8 7.472 9.439 1.673 1.00 0.00 C ATOM 89 O ASP A 8 6.375 9.659 2.189 1.00 0.00 O ATOM 90 CB ASP A 8 8.772 11.546 1.301 1.00 0.00 C ATOM 91 CG ASP A 8 9.642 12.585 1.981 1.00 0.00 C ATOM 92 OD1 ASP A 8 10.714 12.212 2.503 1.00 0.00 O ATOM 93 OD2 ASP A 8 9.252 13.771 1.991 1.00 0.00 O ATOM 0 H ASP A 8 10.623 9.915 1.294 1.00 0.00 H new ATOM 0 HA ASP A 8 8.631 10.466 3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.161 11.348 0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.765 11.944 1.178 1.00 0.00 H new ATOM 98 N LYS A 9 7.661 8.519 0.732 1.00 0.00 N ATOM 99 CA LYS A 9 6.585 7.691 0.230 1.00 0.00 C ATOM 100 C LYS A 9 6.365 6.484 1.125 1.00 0.00 C ATOM 101 O LYS A 9 7.224 6.122 1.929 1.00 0.00 O ATOM 102 CB LYS A 9 6.937 7.212 -1.171 1.00 0.00 C ATOM 103 CG LYS A 9 6.700 8.241 -2.261 1.00 0.00 C ATOM 104 CD LYS A 9 7.474 9.521 -2.007 1.00 0.00 C ATOM 105 CE LYS A 9 6.636 10.527 -1.245 1.00 0.00 C ATOM 106 NZ LYS A 9 6.591 11.849 -1.931 1.00 0.00 N ATOM 0 H LYS A 9 8.566 8.331 0.300 1.00 0.00 H new ATOM 0 HA LYS A 9 5.670 8.284 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.986 6.917 -1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.351 6.321 -1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.994 7.824 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.635 8.466 -2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.379 9.296 -1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.790 9.952 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.622 10.143 -1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.043 10.653 -0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.008 12.508 -1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.555 12.229 -2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.178 11.734 -2.879 1.00 0.00 H new ATOM 120 N ILE A 10 5.214 5.855 0.958 1.00 0.00 N ATOM 121 CA ILE A 10 4.876 4.672 1.724 1.00 0.00 C ATOM 122 C ILE A 10 4.862 3.476 0.804 1.00 0.00 C ATOM 123 O ILE A 10 4.363 3.541 -0.319 1.00 0.00 O ATOM 124 CB ILE A 10 3.513 4.776 2.440 1.00 0.00 C ATOM 125 CG1 ILE A 10 3.050 6.227 2.516 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.600 4.174 3.835 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.628 6.373 3.000 1.00 0.00 C ATOM 0 H ILE A 10 4.496 6.147 0.295 1.00 0.00 H new ATOM 0 HA ILE A 10 5.635 4.567 2.500 1.00 0.00 H new ATOM 0 HB ILE A 10 2.780 4.214 1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.712 6.778 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.140 6.682 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.631 4.255 4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.883 3.124 3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.349 4.711 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.361 7.429 3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.957 5.849 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.538 5.946 3.999 1.00 0.00 H new ATOM 139 N LYS A 11 5.434 2.397 1.276 1.00 0.00 N ATOM 140 CA LYS A 11 5.519 1.181 0.493 1.00 0.00 C ATOM 141 C LYS A 11 4.535 0.144 1.009 1.00 0.00 C ATOM 142 O LYS A 11 4.802 -0.552 1.986 1.00 0.00 O ATOM 143 CB LYS A 11 6.955 0.663 0.521 1.00 0.00 C ATOM 144 CG LYS A 11 7.989 1.769 0.302 1.00 0.00 C ATOM 145 CD LYS A 11 9.155 1.641 1.269 1.00 0.00 C ATOM 146 CE LYS A 11 10.335 0.930 0.627 1.00 0.00 C ATOM 147 NZ LYS A 11 11.602 1.693 0.793 1.00 0.00 N ATOM 0 H LYS A 11 5.851 2.332 2.204 1.00 0.00 H new ATOM 0 HA LYS A 11 5.249 1.391 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.144 0.180 1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.076 -0.099 -0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.358 1.726 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.515 2.742 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.463 2.632 1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.836 1.092 2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.447 -0.060 1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.136 0.783 -0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.401 1.115 0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.555 2.569 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.736 1.928 1.797 1.00 0.00 H new ATOM 161 N CYS A 12 3.380 0.073 0.352 1.00 0.00 N ATOM 162 CA CYS A 12 2.326 -0.852 0.741 1.00 0.00 C ATOM 163 C CYS A 12 1.895 -1.714 -0.445 1.00 0.00 C ATOM 164 O CYS A 12 2.419 -1.574 -1.548 1.00 0.00 O ATOM 165 CB CYS A 12 1.137 -0.050 1.290 1.00 0.00 C ATOM 166 SG CYS A 12 0.095 -0.928 2.474 1.00 0.00 S ATOM 0 H CYS A 12 3.152 0.650 -0.457 1.00 0.00 H new ATOM 0 HA CYS A 12 2.701 -1.522 1.515 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.518 0.853 1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.517 0.269 0.452 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.679 -0.080 3.084 1.00 0.00 H new ATOM 172 N SER A 13 0.944 -2.609 -0.206 1.00 0.00 N ATOM 173 CA SER A 13 0.436 -3.492 -1.248 1.00 0.00 C ATOM 174 C SER A 13 -1.076 -3.334 -1.367 1.00 0.00 C ATOM 175 O SER A 13 -1.716 -2.791 -0.466 1.00 0.00 O ATOM 176 CB SER A 13 0.788 -4.948 -0.937 1.00 0.00 C ATOM 177 OG SER A 13 -0.023 -5.841 -1.679 1.00 0.00 O ATOM 0 H SER A 13 0.507 -2.742 0.706 1.00 0.00 H new ATOM 0 HA SER A 13 0.901 -3.219 -2.195 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.838 -5.128 -1.168 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.660 -5.136 0.129 1.00 0.00 H new ATOM 0 HG SER A 13 0.546 -6.423 -2.225 1.00 0.00 H new ATOM 183 N HIS A 14 -1.650 -3.796 -2.472 1.00 0.00 N ATOM 184 CA HIS A 14 -3.090 -3.678 -2.671 1.00 0.00 C ATOM 185 C HIS A 14 -3.710 -4.986 -3.153 1.00 0.00 C ATOM 186 O HIS A 14 -3.055 -5.801 -3.803 1.00 0.00 O ATOM 187 CB HIS A 14 -3.403 -2.541 -3.650 1.00 0.00 C ATOM 188 CG HIS A 14 -3.153 -2.881 -5.090 1.00 0.00 C ATOM 189 ND1 HIS A 14 -2.408 -3.970 -5.491 1.00 0.00 N ATOM 190 CD2 HIS A 14 -3.560 -2.266 -6.226 1.00 0.00 C ATOM 191 CE1 HIS A 14 -2.367 -4.009 -6.811 1.00 0.00 C ATOM 192 NE2 HIS A 14 -3.057 -2.988 -7.280 1.00 0.00 N ATOM 0 H HIS A 14 -1.148 -4.250 -3.235 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.535 -3.446 -1.704 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.448 -2.253 -3.533 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.801 -1.672 -3.384 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -1.959 -4.640 -4.867 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.167 -1.375 -6.291 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.855 -4.751 -7.405 1.00 0.00 H new ATOM 201 N ILE A 15 -4.985 -5.166 -2.826 1.00 0.00 N ATOM 202 CA ILE A 15 -5.723 -6.360 -3.212 1.00 0.00 C ATOM 203 C ILE A 15 -7.207 -6.034 -3.366 1.00 0.00 C ATOM 204 O ILE A 15 -7.875 -5.662 -2.402 1.00 0.00 O ATOM 205 CB ILE A 15 -5.516 -7.498 -2.181 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.103 -8.069 -2.320 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.552 -8.610 -2.341 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.107 -7.467 -1.353 1.00 0.00 C ATOM 0 H ILE A 15 -5.532 -4.493 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.340 -6.706 -4.172 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.645 -7.074 -1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.139 -9.147 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.752 -7.904 -3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.370 -9.387 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.552 -8.199 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.475 -9.038 -3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.128 -7.920 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.041 -6.392 -1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.434 -7.655 -0.330 1.00 0.00 H new ATOM 220 N LEU A 16 -7.707 -6.160 -4.591 1.00 0.00 N ATOM 221 CA LEU A 16 -9.103 -5.862 -4.888 1.00 0.00 C ATOM 222 C LEU A 16 -9.939 -7.129 -5.016 1.00 0.00 C ATOM 223 O LEU A 16 -9.593 -8.037 -5.766 1.00 0.00 O ATOM 224 CB LEU A 16 -9.193 -5.067 -6.190 1.00 0.00 C ATOM 225 CG LEU A 16 -10.362 -4.081 -6.284 1.00 0.00 C ATOM 226 CD1 LEU A 16 -10.480 -3.254 -5.014 1.00 0.00 C ATOM 227 CD2 LEU A 16 -10.201 -3.177 -7.500 1.00 0.00 C ATOM 0 H LEU A 16 -7.163 -6.468 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.499 -5.277 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.263 -4.514 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.266 -5.770 -7.020 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.281 -4.655 -6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.317 -2.562 -5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.648 -3.915 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.560 -2.691 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.040 -2.483 -7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.271 -2.616 -7.415 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.177 -3.785 -8.405 1.00 0.00 H new ATOM 239 N VAL A 17 -11.056 -7.175 -4.293 1.00 0.00 N ATOM 240 CA VAL A 17 -11.952 -8.322 -4.350 1.00 0.00 C ATOM 241 C VAL A 17 -13.410 -7.869 -4.284 1.00 0.00 C ATOM 242 O VAL A 17 -13.764 -7.018 -3.468 1.00 0.00 O ATOM 243 CB VAL A 17 -11.667 -9.329 -3.218 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.198 -9.734 -3.221 1.00 0.00 C ATOM 245 CG2 VAL A 17 -12.069 -8.762 -1.862 1.00 0.00 C ATOM 0 H VAL A 17 -11.359 -6.432 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.773 -8.824 -5.301 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.271 -10.219 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.015 -10.445 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.950 -10.196 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.577 -8.851 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.856 -9.495 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.504 -7.851 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.135 -8.534 -1.864 1.00 0.00 H new ATOM 255 N LYS A 18 -14.245 -8.426 -5.156 1.00 0.00 N ATOM 256 CA LYS A 18 -15.658 -8.057 -5.199 1.00 0.00 C ATOM 257 C LYS A 18 -16.428 -8.660 -4.029 1.00 0.00 C ATOM 258 O LYS A 18 -17.329 -8.026 -3.479 1.00 0.00 O ATOM 259 CB LYS A 18 -16.282 -8.497 -6.524 1.00 0.00 C ATOM 260 CG LYS A 18 -15.789 -7.700 -7.722 1.00 0.00 C ATOM 261 CD LYS A 18 -15.357 -8.611 -8.862 1.00 0.00 C ATOM 262 CE LYS A 18 -15.228 -7.845 -10.168 1.00 0.00 C ATOM 263 NZ LYS A 18 -14.040 -8.281 -10.954 1.00 0.00 N ATOM 0 H LYS A 18 -13.971 -9.131 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.721 -6.972 -5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.065 -9.553 -6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.366 -8.402 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.580 -7.034 -8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.951 -7.071 -7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.402 -9.076 -8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.082 -9.416 -8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.130 -7.989 -10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.152 -6.778 -9.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.169 -8.020 -11.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.188 -7.815 -10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.932 -9.313 -10.877 1.00 0.00 H new ATOM 277 N LYS A 19 -16.058 -9.873 -3.632 1.00 0.00 N ATOM 278 CA LYS A 19 -16.701 -10.527 -2.513 1.00 0.00 C ATOM 279 C LYS A 19 -16.247 -9.830 -1.231 1.00 0.00 C ATOM 280 O LYS A 19 -15.331 -10.275 -0.542 1.00 0.00 O ATOM 281 CB LYS A 19 -16.372 -12.026 -2.528 1.00 0.00 C ATOM 282 CG LYS A 19 -16.277 -12.660 -1.160 1.00 0.00 C ATOM 283 CD LYS A 19 -16.277 -14.178 -1.242 1.00 0.00 C ATOM 284 CE LYS A 19 -16.150 -14.810 0.135 1.00 0.00 C ATOM 285 NZ LYS A 19 -17.465 -14.906 0.826 1.00 0.00 N ATOM 0 H LYS A 19 -15.316 -10.417 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.786 -10.449 -2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -17.137 -12.547 -3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.426 -12.172 -3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.366 -12.322 -0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.115 -12.329 -0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.198 -14.518 -1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.452 -14.509 -1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.717 -15.806 0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.463 -14.221 0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.335 -15.342 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.867 -13.954 0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.113 -15.489 0.259 1.00 0.00 H new ATOM 299 N GLN A 20 -16.861 -8.689 -0.964 1.00 0.00 N ATOM 300 CA GLN A 20 -16.503 -7.856 0.181 1.00 0.00 C ATOM 301 C GLN A 20 -16.347 -8.652 1.469 1.00 0.00 C ATOM 302 O GLN A 20 -15.611 -8.236 2.364 1.00 0.00 O ATOM 303 CB GLN A 20 -17.533 -6.739 0.382 1.00 0.00 C ATOM 304 CG GLN A 20 -18.004 -6.086 -0.912 1.00 0.00 C ATOM 305 CD GLN A 20 -19.013 -4.979 -0.672 1.00 0.00 C ATOM 306 OE1 GLN A 20 -19.536 -4.828 0.431 1.00 0.00 O ATOM 307 NE2 GLN A 20 -19.290 -4.198 -1.710 1.00 0.00 N ATOM 0 H GLN A 20 -17.620 -8.312 -1.531 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.531 -7.421 -0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -18.397 -7.147 0.906 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.101 -5.973 1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -17.144 -5.680 -1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.448 -6.844 -1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.832 -4.360 -2.607 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.961 -3.436 -1.610 1.00 0.00 H new ATOM 316 N GLY A 21 -17.015 -9.789 1.575 1.00 0.00 N ATOM 317 CA GLY A 21 -16.881 -10.577 2.781 1.00 0.00 C ATOM 318 C GLY A 21 -15.485 -11.142 2.905 1.00 0.00 C ATOM 319 O GLY A 21 -14.960 -11.303 4.010 1.00 0.00 O ATOM 0 H GLY A 21 -17.636 -10.175 0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.106 -9.959 3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.607 -11.390 2.771 1.00 0.00 H new ATOM 323 N GLU A 22 -14.869 -11.414 1.765 1.00 0.00 N ATOM 324 CA GLU A 22 -13.516 -11.937 1.741 1.00 0.00 C ATOM 325 C GLU A 22 -12.528 -10.863 2.166 1.00 0.00 C ATOM 326 O GLU A 22 -11.566 -11.134 2.880 1.00 0.00 O ATOM 327 CB GLU A 22 -13.178 -12.468 0.349 1.00 0.00 C ATOM 328 CG GLU A 22 -12.902 -11.410 -0.701 1.00 0.00 C ATOM 329 CD GLU A 22 -11.614 -11.677 -1.452 1.00 0.00 C ATOM 330 OE1 GLU A 22 -10.546 -11.246 -0.971 1.00 0.00 O ATOM 331 OE2 GLU A 22 -11.673 -12.316 -2.522 1.00 0.00 O ATOM 0 H GLU A 22 -15.287 -11.280 0.844 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.446 -12.764 2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.304 -13.114 0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.005 -13.090 0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.732 -11.374 -1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.847 -10.432 -0.224 1.00 0.00 H new ATOM 338 N ALA A 23 -12.788 -9.638 1.731 1.00 0.00 N ATOM 339 CA ALA A 23 -11.935 -8.507 2.074 1.00 0.00 C ATOM 340 C ALA A 23 -11.699 -8.466 3.581 1.00 0.00 C ATOM 341 O ALA A 23 -10.601 -8.158 4.044 1.00 0.00 O ATOM 342 CB ALA A 23 -12.567 -7.207 1.593 1.00 0.00 C ATOM 0 H ALA A 23 -13.584 -9.401 1.139 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.972 -8.626 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.921 -6.369 1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.694 -7.243 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.539 -7.077 2.068 1.00 0.00 H new ATOM 348 N LEU A 24 -12.742 -8.801 4.338 1.00 0.00 N ATOM 349 CA LEU A 24 -12.664 -8.827 5.795 1.00 0.00 C ATOM 350 C LEU A 24 -11.852 -10.027 6.273 1.00 0.00 C ATOM 351 O LEU A 24 -11.229 -9.986 7.331 1.00 0.00 O ATOM 352 CB LEU A 24 -14.067 -8.867 6.405 1.00 0.00 C ATOM 353 CG LEU A 24 -14.227 -8.090 7.713 1.00 0.00 C ATOM 354 CD1 LEU A 24 -13.355 -8.692 8.802 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.886 -6.621 7.505 1.00 0.00 C ATOM 0 H LEU A 24 -13.655 -9.059 3.963 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.162 -7.917 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.775 -8.472 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.340 -9.907 6.582 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.268 -8.160 8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.482 -8.126 9.725 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.646 -9.729 8.969 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.310 -8.654 8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.005 -6.083 8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.855 -6.532 7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.554 -6.195 6.756 1.00 0.00 H new ATOM 367 N ALA A 25 -11.880 -11.102 5.492 1.00 0.00 N ATOM 368 CA ALA A 25 -11.151 -12.315 5.843 1.00 0.00 C ATOM 369 C ALA A 25 -9.692 -12.230 5.399 1.00 0.00 C ATOM 370 O ALA A 25 -8.779 -12.498 6.178 1.00 0.00 O ATOM 371 CB ALA A 25 -11.823 -13.531 5.223 1.00 0.00 C ATOM 0 H ALA A 25 -12.398 -11.158 4.615 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.167 -12.417 6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.269 -14.430 5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.845 -13.610 5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.837 -13.425 4.138 1.00 0.00 H new ATOM 377 N VAL A 26 -9.480 -11.853 4.140 1.00 0.00 N ATOM 378 CA VAL A 26 -8.134 -11.732 3.590 1.00 0.00 C ATOM 379 C VAL A 26 -7.236 -10.918 4.511 1.00 0.00 C ATOM 380 O VAL A 26 -6.059 -11.222 4.660 1.00 0.00 O ATOM 381 CB VAL A 26 -8.140 -11.094 2.185 1.00 0.00 C ATOM 382 CG1 VAL A 26 -9.209 -11.735 1.313 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.343 -9.587 2.268 1.00 0.00 C ATOM 0 H VAL A 26 -10.225 -11.626 3.481 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.740 -12.745 3.506 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.167 -11.275 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.199 -11.273 0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.008 -12.802 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.187 -11.590 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.343 -9.164 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.297 -9.374 2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.535 -9.142 2.849 1.00 0.00 H new ATOM 393 N GLN A 27 -7.795 -9.887 5.133 1.00 0.00 N ATOM 394 CA GLN A 27 -7.017 -9.061 6.042 1.00 0.00 C ATOM 395 C GLN A 27 -6.467 -9.924 7.173 1.00 0.00 C ATOM 396 O GLN A 27 -5.275 -9.890 7.476 1.00 0.00 O ATOM 397 CB GLN A 27 -7.863 -7.900 6.587 1.00 0.00 C ATOM 398 CG GLN A 27 -8.933 -8.320 7.580 1.00 0.00 C ATOM 399 CD GLN A 27 -9.565 -7.139 8.292 1.00 0.00 C ATOM 400 OE1 GLN A 27 -9.826 -7.193 9.494 1.00 0.00 O ATOM 401 NE2 GLN A 27 -9.814 -6.065 7.552 1.00 0.00 N ATOM 0 H GLN A 27 -8.770 -9.607 5.026 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.180 -8.624 5.498 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.202 -7.178 7.066 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.340 -7.389 5.751 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.708 -8.881 7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.495 -8.992 8.318 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.581 -6.065 6.559 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.238 -5.240 7.977 1.00 0.00 H new ATOM 410 N GLU A 28 -7.346 -10.720 7.775 1.00 0.00 N ATOM 411 CA GLU A 28 -6.963 -11.623 8.852 1.00 0.00 C ATOM 412 C GLU A 28 -6.167 -12.810 8.307 1.00 0.00 C ATOM 413 O GLU A 28 -5.339 -13.396 9.004 1.00 0.00 O ATOM 414 CB GLU A 28 -8.212 -12.112 9.601 1.00 0.00 C ATOM 415 CG GLU A 28 -9.003 -13.190 8.869 1.00 0.00 C ATOM 416 CD GLU A 28 -9.803 -14.066 9.815 1.00 0.00 C ATOM 417 OE1 GLU A 28 -10.778 -13.562 10.411 1.00 0.00 O ATOM 418 OE2 GLU A 28 -9.453 -15.257 9.959 1.00 0.00 O ATOM 0 H GLU A 28 -8.336 -10.756 7.531 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.326 -11.079 9.549 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.909 -12.498 10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.867 -11.260 9.786 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.679 -12.719 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.317 -13.813 8.295 1.00 0.00 H new ATOM 425 N ARG A 29 -6.451 -13.167 7.057 1.00 0.00 N ATOM 426 CA ARG A 29 -5.801 -14.293 6.393 1.00 0.00 C ATOM 427 C ARG A 29 -4.404 -13.933 5.895 1.00 0.00 C ATOM 428 O ARG A 29 -3.498 -14.767 5.898 1.00 0.00 O ATOM 429 CB ARG A 29 -6.667 -14.752 5.218 1.00 0.00 C ATOM 430 CG ARG A 29 -6.327 -16.135 4.699 1.00 0.00 C ATOM 431 CD ARG A 29 -6.670 -17.214 5.715 1.00 0.00 C ATOM 432 NE ARG A 29 -5.666 -18.277 5.746 1.00 0.00 N ATOM 433 CZ ARG A 29 -5.754 -19.357 6.518 1.00 0.00 C ATOM 434 NH1 ARG A 29 -6.795 -19.522 7.324 1.00 0.00 N ATOM 435 NH2 ARG A 29 -4.798 -20.276 6.483 1.00 0.00 N ATOM 0 H ARG A 29 -7.137 -12.684 6.477 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.692 -15.097 7.120 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.713 -14.738 5.525 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.564 -14.035 4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.871 -16.321 3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.265 -16.184 4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.754 -16.766 6.705 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.643 -17.642 5.475 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.851 -18.185 5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.533 -18.819 7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.857 -20.352 7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.996 -20.154 5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.865 -21.104 7.075 1.00 0.00 H new ATOM 449 N LEU A 30 -4.241 -12.692 5.454 1.00 0.00 N ATOM 450 CA LEU A 30 -2.964 -12.216 4.937 1.00 0.00 C ATOM 451 C LEU A 30 -1.834 -12.472 5.931 1.00 0.00 C ATOM 452 O LEU A 30 -0.837 -13.113 5.600 1.00 0.00 O ATOM 453 CB LEU A 30 -3.059 -10.724 4.603 1.00 0.00 C ATOM 454 CG LEU A 30 -1.964 -10.187 3.679 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.592 -10.377 4.306 1.00 0.00 C ATOM 456 CD2 LEU A 30 -2.036 -10.865 2.316 1.00 0.00 C ATOM 0 H LEU A 30 -4.983 -11.992 5.444 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.735 -12.770 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.027 -10.534 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.035 -10.158 5.534 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.126 -9.118 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.173 -9.989 3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.548 -9.841 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.416 -11.438 4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.250 -10.471 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.901 -11.940 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.008 -10.670 1.863 1.00 0.00 H new ATOM 468 N LYS A 31 -1.997 -11.973 7.150 1.00 0.00 N ATOM 469 CA LYS A 31 -0.989 -12.155 8.190 1.00 0.00 C ATOM 470 C LYS A 31 -0.960 -13.599 8.687 1.00 0.00 C ATOM 471 O LYS A 31 -0.063 -13.988 9.435 1.00 0.00 O ATOM 472 CB LYS A 31 -1.260 -11.209 9.362 1.00 0.00 C ATOM 473 CG LYS A 31 -2.542 -11.529 10.114 1.00 0.00 C ATOM 474 CD LYS A 31 -3.614 -10.478 9.871 1.00 0.00 C ATOM 475 CE LYS A 31 -4.285 -10.054 11.168 1.00 0.00 C ATOM 476 NZ LYS A 31 -4.961 -11.196 11.844 1.00 0.00 N ATOM 0 H LYS A 31 -2.816 -11.440 7.444 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.016 -11.923 7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.420 -11.253 10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.312 -10.186 8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.913 -12.506 9.802 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.331 -11.594 11.181 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.169 -9.607 9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.363 -10.873 9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.540 -9.625 11.838 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.015 -9.272 10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.861 -10.874 12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.146 -11.949 11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.349 -11.564 12.600 1.00 0.00 H new ATOM 490 N ALA A 32 -1.945 -14.392 8.271 1.00 0.00 N ATOM 491 CA ALA A 32 -2.027 -15.787 8.681 1.00 0.00 C ATOM 492 C ALA A 32 -0.779 -16.558 8.263 1.00 0.00 C ATOM 493 O ALA A 32 -0.455 -17.596 8.840 1.00 0.00 O ATOM 494 CB ALA A 32 -3.271 -16.434 8.089 1.00 0.00 C ATOM 0 H ALA A 32 -2.696 -14.090 7.650 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.093 -15.818 9.769 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.323 -17.477 8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.158 -15.906 8.439 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.225 -16.383 7.001 1.00 0.00 H new ATOM 500 N GLY A 33 -0.088 -16.047 7.249 1.00 0.00 N ATOM 501 CA GLY A 33 1.106 -16.697 6.763 1.00 0.00 C ATOM 502 C GLY A 33 1.305 -16.496 5.274 1.00 0.00 C ATOM 503 O GLY A 33 2.403 -16.699 4.754 1.00 0.00 O ATOM 0 H GLY A 33 -0.339 -15.190 6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.972 -16.309 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.050 -17.764 6.979 1.00 0.00 H new ATOM 507 N GLU A 34 0.239 -16.095 4.582 1.00 0.00 N ATOM 508 CA GLU A 34 0.305 -15.867 3.143 1.00 0.00 C ATOM 509 C GLU A 34 0.908 -14.502 2.834 1.00 0.00 C ATOM 510 O GLU A 34 0.891 -13.599 3.671 1.00 0.00 O ATOM 511 CB GLU A 34 -1.088 -15.974 2.521 1.00 0.00 C ATOM 512 CG GLU A 34 -2.089 -14.979 3.089 1.00 0.00 C ATOM 513 CD GLU A 34 -3.501 -15.231 2.602 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.767 -16.341 2.095 1.00 0.00 O ATOM 515 OE2 GLU A 34 -4.345 -14.319 2.730 1.00 0.00 O ATOM 0 H GLU A 34 -0.677 -15.922 4.995 1.00 0.00 H new ATOM 0 HA GLU A 34 0.947 -16.634 2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.008 -15.822 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.467 -16.985 2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.069 -15.031 4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.788 -13.968 2.812 1.00 0.00 H new ATOM 522 N LYS A 35 1.439 -14.362 1.626 1.00 0.00 N ATOM 523 CA LYS A 35 2.050 -13.109 1.199 1.00 0.00 C ATOM 524 C LYS A 35 1.093 -12.307 0.325 1.00 0.00 C ATOM 525 O LYS A 35 0.322 -12.869 -0.452 1.00 0.00 O ATOM 526 CB LYS A 35 3.348 -13.382 0.437 1.00 0.00 C ATOM 527 CG LYS A 35 4.277 -12.181 0.368 1.00 0.00 C ATOM 528 CD LYS A 35 5.246 -12.290 -0.797 1.00 0.00 C ATOM 529 CE LYS A 35 6.628 -12.726 -0.334 1.00 0.00 C ATOM 530 NZ LYS A 35 7.709 -11.988 -1.045 1.00 0.00 N ATOM 0 H LYS A 35 1.459 -15.101 0.924 1.00 0.00 H new ATOM 0 HA LYS A 35 2.277 -12.524 2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.873 -14.210 0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.104 -13.701 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.688 -11.270 0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.836 -12.098 1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.863 -13.005 -1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.318 -11.327 -1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.720 -12.561 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.747 -13.796 -0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.635 -12.313 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.637 -12.166 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.611 -10.969 -0.863 1.00 0.00 H new ATOM 544 N PHE A 36 1.153 -10.987 0.461 1.00 0.00 N ATOM 545 CA PHE A 36 0.296 -10.096 -0.313 1.00 0.00 C ATOM 546 C PHE A 36 0.420 -10.382 -1.807 1.00 0.00 C ATOM 547 O PHE A 36 -0.546 -10.248 -2.558 1.00 0.00 O ATOM 548 CB PHE A 36 0.659 -8.638 -0.029 1.00 0.00 C ATOM 549 CG PHE A 36 2.139 -8.382 0.007 1.00 0.00 C ATOM 550 CD1 PHE A 36 2.880 -8.364 -1.164 1.00 0.00 C ATOM 551 CD2 PHE A 36 2.788 -8.161 1.209 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.242 -8.129 -1.135 1.00 0.00 C ATOM 553 CE2 PHE A 36 4.150 -7.926 1.246 1.00 0.00 C ATOM 554 CZ PHE A 36 4.878 -7.910 0.073 1.00 0.00 C ATOM 0 H PHE A 36 1.787 -10.509 1.101 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.737 -10.273 -0.014 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.208 -8.005 -0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.225 -8.344 0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.388 -8.536 -2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.224 -8.172 2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.808 -8.116 -2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.644 -7.755 2.191 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.942 -7.727 0.099 1.00 0.00 H new ATOM 564 N GLY A 37 1.615 -10.779 -2.228 1.00 0.00 N ATOM 565 CA GLY A 37 1.847 -11.082 -3.627 1.00 0.00 C ATOM 566 C GLY A 37 0.989 -12.230 -4.121 1.00 0.00 C ATOM 567 O GLY A 37 0.572 -12.249 -5.278 1.00 0.00 O ATOM 0 H GLY A 37 2.429 -10.897 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.642 -10.195 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.899 -11.329 -3.773 1.00 0.00 H new ATOM 571 N LYS A 38 0.731 -13.192 -3.242 1.00 0.00 N ATOM 572 CA LYS A 38 -0.080 -14.351 -3.594 1.00 0.00 C ATOM 573 C LYS A 38 -1.535 -13.955 -3.827 1.00 0.00 C ATOM 574 O LYS A 38 -2.111 -14.265 -4.868 1.00 0.00 O ATOM 575 CB LYS A 38 0.001 -15.409 -2.491 1.00 0.00 C ATOM 576 CG LYS A 38 -0.787 -16.672 -2.801 1.00 0.00 C ATOM 577 CD LYS A 38 0.091 -17.912 -2.734 1.00 0.00 C ATOM 578 CE LYS A 38 -0.634 -19.076 -2.078 1.00 0.00 C ATOM 579 NZ LYS A 38 0.255 -20.257 -1.901 1.00 0.00 N ATOM 0 H LYS A 38 1.072 -13.192 -2.281 1.00 0.00 H new ATOM 0 HA LYS A 38 0.314 -14.767 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.046 -15.673 -2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.368 -14.980 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.610 -16.770 -2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.228 -16.591 -3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.399 -18.195 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.999 -17.686 -2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.019 -18.763 -1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.494 -19.357 -2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.278 -21.028 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.602 -20.572 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.062 -19.997 -1.299 1.00 0.00 H new ATOM 593 N LEU A 39 -2.122 -13.263 -2.850 1.00 0.00 N ATOM 594 CA LEU A 39 -3.511 -12.824 -2.944 1.00 0.00 C ATOM 595 C LEU A 39 -3.747 -12.044 -4.232 1.00 0.00 C ATOM 596 O LEU A 39 -4.830 -12.101 -4.811 1.00 0.00 O ATOM 597 CB LEU A 39 -3.888 -11.946 -1.748 1.00 0.00 C ATOM 598 CG LEU A 39 -3.902 -12.638 -0.375 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.696 -13.932 -0.429 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.489 -12.903 0.122 1.00 0.00 C ATOM 0 H LEU A 39 -1.655 -12.995 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.137 -13.716 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.190 -11.110 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.877 -11.526 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.388 -11.964 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.691 -14.403 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.723 -13.717 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.244 -14.606 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.531 -13.393 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.969 -13.548 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.953 -11.959 0.214 1.00 0.00 H new ATOM 612 N ALA A 40 -2.726 -11.314 -4.676 1.00 0.00 N ATOM 613 CA ALA A 40 -2.834 -10.519 -5.893 1.00 0.00 C ATOM 614 C ALA A 40 -3.349 -11.370 -7.047 1.00 0.00 C ATOM 615 O ALA A 40 -4.334 -11.025 -7.703 1.00 0.00 O ATOM 616 CB ALA A 40 -1.485 -9.907 -6.242 1.00 0.00 C ATOM 0 H ALA A 40 -1.819 -11.258 -4.212 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.548 -9.714 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.578 -9.316 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.154 -9.266 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.755 -10.701 -6.398 1.00 0.00 H new ATOM 622 N LYS A 41 -2.685 -12.489 -7.277 1.00 0.00 N ATOM 623 CA LYS A 41 -3.074 -13.412 -8.332 1.00 0.00 C ATOM 624 C LYS A 41 -4.137 -14.397 -7.841 1.00 0.00 C ATOM 625 O LYS A 41 -4.861 -14.990 -8.641 1.00 0.00 O ATOM 626 CB LYS A 41 -1.853 -14.175 -8.848 1.00 0.00 C ATOM 627 CG LYS A 41 -1.173 -15.031 -7.790 1.00 0.00 C ATOM 628 CD LYS A 41 0.136 -15.611 -8.299 1.00 0.00 C ATOM 629 CE LYS A 41 1.109 -14.519 -8.717 1.00 0.00 C ATOM 630 NZ LYS A 41 2.472 -14.744 -8.160 1.00 0.00 N ATOM 0 H LYS A 41 -1.867 -12.783 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.501 -12.828 -9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.158 -14.813 -9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.131 -13.461 -9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.984 -14.430 -6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.839 -15.841 -7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.590 -16.224 -7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.062 -16.267 -9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.164 -14.479 -9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.735 -13.552 -8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.104 -13.978 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.425 -14.757 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.840 -15.655 -8.501 1.00 0.00 H new ATOM 644 N GLU A 42 -4.189 -14.607 -6.525 1.00 0.00 N ATOM 645 CA GLU A 42 -5.123 -15.567 -5.936 1.00 0.00 C ATOM 646 C GLU A 42 -6.586 -15.106 -5.986 1.00 0.00 C ATOM 647 O GLU A 42 -7.392 -15.693 -6.707 1.00 0.00 O ATOM 648 CB GLU A 42 -4.704 -15.864 -4.495 1.00 0.00 C ATOM 649 CG GLU A 42 -4.235 -17.294 -4.281 1.00 0.00 C ATOM 650 CD GLU A 42 -4.712 -17.873 -2.964 1.00 0.00 C ATOM 651 OE1 GLU A 42 -5.069 -17.086 -2.064 1.00 0.00 O ATOM 652 OE2 GLU A 42 -4.729 -19.116 -2.834 1.00 0.00 O ATOM 0 H GLU A 42 -3.597 -14.126 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.074 -16.474 -6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.904 -15.181 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.545 -15.663 -3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.596 -17.917 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.146 -17.324 -4.314 1.00 0.00 H new ATOM 659 N LEU A 43 -6.941 -14.070 -5.221 1.00 0.00 N ATOM 660 CA LEU A 43 -8.328 -13.586 -5.214 1.00 0.00 C ATOM 661 C LEU A 43 -8.443 -12.138 -5.682 1.00 0.00 C ATOM 662 O LEU A 43 -9.541 -11.660 -5.961 1.00 0.00 O ATOM 663 CB LEU A 43 -8.973 -13.735 -3.829 1.00 0.00 C ATOM 664 CG LEU A 43 -8.064 -13.475 -2.625 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.100 -14.630 -2.426 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.311 -12.160 -2.783 1.00 0.00 C ATOM 0 H LEU A 43 -6.304 -13.558 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.867 -14.214 -5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.821 -13.052 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.372 -14.746 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.691 -13.396 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.462 -14.427 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.662 -15.548 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.482 -14.746 -3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.673 -12.000 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.697 -12.198 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.024 -11.340 -2.866 1.00 0.00 H new ATOM 678 N SER A 44 -7.317 -11.440 -5.761 1.00 0.00 N ATOM 679 CA SER A 44 -7.328 -10.045 -6.187 1.00 0.00 C ATOM 680 C SER A 44 -7.808 -9.922 -7.632 1.00 0.00 C ATOM 681 O SER A 44 -7.492 -10.758 -8.477 1.00 0.00 O ATOM 682 CB SER A 44 -5.927 -9.461 -6.047 1.00 0.00 C ATOM 683 OG SER A 44 -5.839 -8.598 -4.929 1.00 0.00 O ATOM 0 H SER A 44 -6.393 -11.811 -5.538 1.00 0.00 H new ATOM 0 HA SER A 44 -8.019 -9.489 -5.553 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.203 -10.269 -5.943 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.667 -8.914 -6.953 1.00 0.00 H new ATOM 0 HG SER A 44 -4.925 -8.252 -4.854 1.00 0.00 H new ATOM 689 N ILE A 45 -8.577 -8.869 -7.902 1.00 0.00 N ATOM 690 CA ILE A 45 -9.106 -8.628 -9.241 1.00 0.00 C ATOM 691 C ILE A 45 -8.362 -7.486 -9.929 1.00 0.00 C ATOM 692 O ILE A 45 -8.576 -7.215 -11.112 1.00 0.00 O ATOM 693 CB ILE A 45 -10.620 -8.312 -9.218 1.00 0.00 C ATOM 694 CG1 ILE A 45 -10.988 -7.504 -7.976 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.427 -9.600 -9.264 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.114 -6.521 -8.196 1.00 0.00 C ATOM 0 H ILE A 45 -8.847 -8.170 -7.211 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.955 -9.549 -9.804 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.857 -7.714 -10.098 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.269 -8.191 -7.178 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.107 -6.961 -7.633 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.491 -9.364 -9.247 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.191 -10.145 -10.178 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.179 -10.216 -8.400 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.316 -5.986 -7.268 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.829 -5.809 -8.971 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.010 -7.058 -8.508 1.00 0.00 H new ATOM 708 N ASP A 46 -7.474 -6.828 -9.184 1.00 0.00 N ATOM 709 CA ASP A 46 -6.680 -5.724 -9.715 1.00 0.00 C ATOM 710 C ASP A 46 -6.086 -6.084 -11.077 1.00 0.00 C ATOM 711 O ASP A 46 -5.579 -7.185 -11.274 1.00 0.00 O ATOM 712 CB ASP A 46 -5.562 -5.354 -8.739 1.00 0.00 C ATOM 713 CG ASP A 46 -4.679 -6.537 -8.394 1.00 0.00 C ATOM 714 OD1 ASP A 46 -5.111 -7.685 -8.626 1.00 0.00 O ATOM 715 OD2 ASP A 46 -3.558 -6.315 -7.894 1.00 0.00 O ATOM 0 H ASP A 46 -7.287 -7.044 -8.205 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.339 -4.865 -9.842 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.951 -4.563 -9.174 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.000 -4.952 -7.825 1.00 0.00 H new ATOM 720 N GLY A 47 -6.170 -5.149 -12.015 1.00 0.00 N ATOM 721 CA GLY A 47 -5.651 -5.386 -13.349 1.00 0.00 C ATOM 722 C GLY A 47 -4.154 -5.629 -13.358 1.00 0.00 C ATOM 723 O GLY A 47 -3.528 -5.665 -12.300 1.00 0.00 O ATOM 0 H GLY A 47 -6.589 -4.229 -11.876 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.158 -6.247 -13.784 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.880 -4.528 -13.982 1.00 0.00 H new ATOM 727 N GLY A 48 -3.603 -5.827 -14.563 1.00 0.00 N ATOM 728 CA GLY A 48 -2.174 -6.097 -14.758 1.00 0.00 C ATOM 729 C GLY A 48 -1.291 -5.865 -13.539 1.00 0.00 C ATOM 730 O GLY A 48 -0.417 -6.680 -13.243 1.00 0.00 O ATOM 0 H GLY A 48 -4.138 -5.804 -15.431 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.058 -7.133 -15.077 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.811 -5.470 -15.572 1.00 0.00 H new ATOM 734 N SER A 49 -1.509 -4.762 -12.829 1.00 0.00 N ATOM 735 CA SER A 49 -0.715 -4.445 -11.643 1.00 0.00 C ATOM 736 C SER A 49 -0.669 -5.621 -10.658 1.00 0.00 C ATOM 737 O SER A 49 0.203 -5.677 -9.793 1.00 0.00 O ATOM 738 CB SER A 49 -1.280 -3.206 -10.946 1.00 0.00 C ATOM 739 OG SER A 49 -0.632 -2.029 -11.393 1.00 0.00 O ATOM 0 H SER A 49 -2.227 -4.073 -13.052 1.00 0.00 H new ATOM 0 HA SER A 49 0.304 -4.245 -11.974 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.350 -3.132 -11.140 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.158 -3.305 -9.867 1.00 0.00 H new ATOM 0 HG SER A 49 -1.013 -1.251 -10.934 1.00 0.00 H new ATOM 745 N ALA A 50 -1.603 -6.561 -10.799 1.00 0.00 N ATOM 746 CA ALA A 50 -1.649 -7.730 -9.926 1.00 0.00 C ATOM 747 C ALA A 50 -0.491 -8.673 -10.222 1.00 0.00 C ATOM 748 O ALA A 50 -0.114 -9.495 -9.387 1.00 0.00 O ATOM 749 CB ALA A 50 -2.974 -8.459 -10.078 1.00 0.00 C ATOM 0 H ALA A 50 -2.336 -6.535 -11.508 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.557 -7.386 -8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.989 -9.327 -9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.791 -7.788 -9.813 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.093 -8.785 -11.111 1.00 0.00 H new ATOM 755 N LYS A 51 0.073 -8.543 -11.418 1.00 0.00 N ATOM 756 CA LYS A 51 1.192 -9.373 -11.834 1.00 0.00 C ATOM 757 C LYS A 51 2.481 -8.903 -11.168 1.00 0.00 C ATOM 758 O LYS A 51 3.528 -9.538 -11.292 1.00 0.00 O ATOM 759 CB LYS A 51 1.331 -9.330 -13.353 1.00 0.00 C ATOM 760 CG LYS A 51 0.853 -10.600 -14.037 1.00 0.00 C ATOM 761 CD LYS A 51 -0.128 -10.300 -15.162 1.00 0.00 C ATOM 762 CE LYS A 51 -1.475 -10.967 -14.924 1.00 0.00 C ATOM 763 NZ LYS A 51 -2.609 -10.035 -15.177 1.00 0.00 N ATOM 0 H LYS A 51 -0.230 -7.866 -12.118 1.00 0.00 H new ATOM 0 HA LYS A 51 1.003 -10.401 -11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.764 -8.483 -13.739 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.376 -9.158 -13.610 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.710 -11.142 -14.437 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.377 -11.251 -13.304 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.265 -9.222 -15.248 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.287 -10.645 -16.109 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.569 -11.837 -15.573 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.525 -11.329 -13.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.508 -10.528 -15.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.534 -9.216 -14.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.577 -9.709 -16.164 1.00 0.00 H new ATOM 777 N ARG A 52 2.389 -7.781 -10.461 1.00 0.00 N ATOM 778 CA ARG A 52 3.529 -7.205 -9.768 1.00 0.00 C ATOM 779 C ARG A 52 3.424 -7.470 -8.267 1.00 0.00 C ATOM 780 O ARG A 52 3.971 -6.721 -7.459 1.00 0.00 O ATOM 781 CB ARG A 52 3.617 -5.698 -10.036 1.00 0.00 C ATOM 782 CG ARG A 52 2.840 -5.232 -11.262 1.00 0.00 C ATOM 783 CD ARG A 52 3.603 -4.166 -12.032 1.00 0.00 C ATOM 784 NE ARG A 52 4.536 -4.750 -12.993 1.00 0.00 N ATOM 785 CZ ARG A 52 5.043 -4.088 -14.030 1.00 0.00 C ATOM 786 NH1 ARG A 52 4.712 -2.821 -14.246 1.00 0.00 N ATOM 787 NH2 ARG A 52 5.885 -4.696 -14.858 1.00 0.00 N ATOM 0 H ARG A 52 1.525 -7.250 -10.354 1.00 0.00 H new ATOM 0 HA ARG A 52 4.437 -7.676 -10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.247 -5.163 -9.161 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.665 -5.423 -10.158 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.643 -6.083 -11.914 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.873 -4.837 -10.953 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.897 -3.522 -12.557 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.151 -3.535 -11.332 1.00 0.00 H new ATOM 0 HE ARG A 52 4.815 -5.722 -12.861 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.065 -2.348 -13.615 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.105 -2.320 -15.043 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.143 -5.670 -14.699 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.274 -4.189 -15.653 1.00 0.00 H new ATOM 801 N ASP A 53 2.699 -8.531 -7.912 1.00 0.00 N ATOM 802 CA ASP A 53 2.492 -8.911 -6.516 1.00 0.00 C ATOM 803 C ASP A 53 1.828 -7.782 -5.730 1.00 0.00 C ATOM 804 O ASP A 53 2.016 -7.655 -4.521 1.00 0.00 O ATOM 805 CB ASP A 53 3.814 -9.343 -5.858 1.00 0.00 C ATOM 806 CG ASP A 53 4.696 -8.181 -5.435 1.00 0.00 C ATOM 807 OD1 ASP A 53 4.416 -7.574 -4.381 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.673 -7.885 -6.156 1.00 0.00 O ATOM 0 H ASP A 53 2.241 -9.149 -8.582 1.00 0.00 H new ATOM 0 HA ASP A 53 1.817 -9.767 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.591 -9.955 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.367 -9.972 -6.555 1.00 0.00 H new ATOM 813 N GLY A 54 1.038 -6.972 -6.430 1.00 0.00 N ATOM 814 CA GLY A 54 0.344 -5.870 -5.790 1.00 0.00 C ATOM 815 C GLY A 54 1.280 -4.934 -5.055 1.00 0.00 C ATOM 816 O GLY A 54 0.858 -4.213 -4.151 1.00 0.00 O ATOM 0 H GLY A 54 0.866 -7.060 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.207 -5.307 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.390 -6.267 -5.089 1.00 0.00 H new ATOM 820 N SER A 55 2.551 -4.939 -5.438 1.00 0.00 N ATOM 821 CA SER A 55 3.538 -4.080 -4.804 1.00 0.00 C ATOM 822 C SER A 55 3.295 -2.619 -5.162 1.00 0.00 C ATOM 823 O SER A 55 3.872 -2.098 -6.117 1.00 0.00 O ATOM 824 CB SER A 55 4.951 -4.488 -5.224 1.00 0.00 C ATOM 825 OG SER A 55 5.536 -5.359 -4.273 1.00 0.00 O ATOM 0 H SER A 55 2.920 -5.529 -6.184 1.00 0.00 H new ATOM 0 HA SER A 55 3.440 -4.196 -3.725 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.917 -4.978 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.571 -3.599 -5.336 1.00 0.00 H new ATOM 0 HG SER A 55 4.895 -6.060 -4.034 1.00 0.00 H new ATOM 831 N LEU A 56 2.442 -1.959 -4.386 1.00 0.00 N ATOM 832 CA LEU A 56 2.129 -0.554 -4.620 1.00 0.00 C ATOM 833 C LEU A 56 3.401 0.285 -4.604 1.00 0.00 C ATOM 834 O LEU A 56 3.487 1.317 -5.271 1.00 0.00 O ATOM 835 CB LEU A 56 1.141 -0.043 -3.564 1.00 0.00 C ATOM 836 CG LEU A 56 -0.292 -0.565 -3.698 1.00 0.00 C ATOM 837 CD1 LEU A 56 -1.235 0.232 -2.811 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.754 -0.514 -5.148 1.00 0.00 C ATOM 0 H LEU A 56 1.956 -2.373 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 56 1.666 -0.463 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.517 -0.314 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.119 1.046 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.306 -1.605 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.249 -0.153 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.921 0.140 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.212 1.281 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.775 -0.890 -5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.721 0.516 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.097 -1.131 -5.761 1.00 0.00 H new ATOM 850 N GLY A 57 4.391 -0.172 -3.846 1.00 0.00 N ATOM 851 CA GLY A 57 5.653 0.537 -3.761 1.00 0.00 C ATOM 852 C GLY A 57 5.526 1.877 -3.067 1.00 0.00 C ATOM 853 O GLY A 57 4.527 2.147 -2.402 1.00 0.00 O ATOM 0 H GLY A 57 4.341 -1.024 -3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.375 -0.078 -3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.048 0.689 -4.766 1.00 0.00 H new ATOM 857 N TYR A 58 6.547 2.714 -3.215 1.00 0.00 N ATOM 858 CA TYR A 58 6.548 4.032 -2.583 1.00 0.00 C ATOM 859 C TYR A 58 5.500 4.954 -3.191 1.00 0.00 C ATOM 860 O TYR A 58 5.542 5.271 -4.380 1.00 0.00 O ATOM 861 CB TYR A 58 7.923 4.715 -2.681 1.00 0.00 C ATOM 862 CG TYR A 58 9.077 3.791 -3.016 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.424 3.538 -4.336 1.00 0.00 C ATOM 864 CD2 TYR A 58 9.816 3.177 -2.014 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.476 2.698 -4.649 1.00 0.00 C ATOM 866 CE2 TYR A 58 10.869 2.335 -2.318 1.00 0.00 C ATOM 867 CZ TYR A 58 11.195 2.099 -3.636 1.00 0.00 C ATOM 868 OH TYR A 58 12.244 1.263 -3.943 1.00 0.00 O ATOM 0 H TYR A 58 7.381 2.507 -3.764 1.00 0.00 H new ATOM 0 HA TYR A 58 6.308 3.859 -1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.871 5.495 -3.440 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.136 5.207 -1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.863 4.005 -5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.564 3.360 -0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.734 2.512 -5.681 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.433 1.864 -1.527 1.00 0.00 H new ATOM 0 HH TYR A 58 12.645 0.924 -3.116 1.00 0.00 H new ATOM 878 N PHE A 59 4.590 5.419 -2.346 1.00 0.00 N ATOM 879 CA PHE A 59 3.555 6.351 -2.762 1.00 0.00 C ATOM 880 C PHE A 59 3.474 7.486 -1.756 1.00 0.00 C ATOM 881 O PHE A 59 3.829 7.318 -0.590 1.00 0.00 O ATOM 882 CB PHE A 59 2.194 5.668 -2.887 1.00 0.00 C ATOM 883 CG PHE A 59 2.050 4.780 -4.096 1.00 0.00 C ATOM 884 CD1 PHE A 59 2.810 4.995 -5.238 1.00 0.00 C ATOM 885 CD2 PHE A 59 1.142 3.732 -4.090 1.00 0.00 C ATOM 886 CE1 PHE A 59 2.667 4.180 -6.345 1.00 0.00 C ATOM 887 CE2 PHE A 59 0.995 2.918 -5.196 1.00 0.00 C ATOM 888 CZ PHE A 59 1.759 3.141 -6.325 1.00 0.00 C ATOM 0 H PHE A 59 4.549 5.162 -1.360 1.00 0.00 H new ATOM 0 HA PHE A 59 3.819 6.738 -3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.017 5.073 -1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.419 6.434 -2.920 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.521 5.808 -5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.543 3.550 -3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.266 4.356 -7.226 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.282 2.107 -5.178 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.646 2.504 -7.190 1.00 0.00 H new ATOM 898 N GLY A 60 3.018 8.637 -2.207 1.00 0.00 N ATOM 899 CA GLY A 60 2.914 9.782 -1.325 1.00 0.00 C ATOM 900 C GLY A 60 1.498 10.314 -1.231 1.00 0.00 C ATOM 901 O GLY A 60 0.567 9.718 -1.773 1.00 0.00 O ATOM 0 H GLY A 60 2.717 8.804 -3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.261 9.503 -0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.573 10.573 -1.682 1.00 0.00 H new ATOM 905 N ARG A 61 1.333 11.438 -0.541 1.00 0.00 N ATOM 906 CA ARG A 61 0.024 12.047 -0.376 1.00 0.00 C ATOM 907 C ARG A 61 -0.339 12.851 -1.611 1.00 0.00 C ATOM 908 O ARG A 61 -0.106 14.058 -1.670 1.00 0.00 O ATOM 909 CB ARG A 61 0.005 12.946 0.862 1.00 0.00 C ATOM 910 CG ARG A 61 1.086 14.015 0.855 1.00 0.00 C ATOM 911 CD ARG A 61 1.849 14.055 2.172 1.00 0.00 C ATOM 912 NE ARG A 61 3.264 13.731 1.996 1.00 0.00 N ATOM 913 CZ ARG A 61 3.738 12.488 1.931 1.00 0.00 C ATOM 914 NH1 ARG A 61 2.918 11.449 2.021 1.00 0.00 N ATOM 915 NH2 ARG A 61 5.039 12.283 1.772 1.00 0.00 N ATOM 0 H ARG A 61 2.093 11.944 -0.087 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.713 11.255 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.970 13.428 0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.123 12.327 1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.781 13.824 0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.633 14.989 0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.757 15.047 2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.400 13.351 2.872 1.00 0.00 H new ATOM 0 HE ARG A 61 3.927 14.502 1.918 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.916 11.599 2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.289 10.500 1.970 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.675 13.077 1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.403 11.331 1.722 1.00 0.00 H new ATOM 929 N GLY A 62 -0.906 12.174 -2.596 1.00 0.00 N ATOM 930 CA GLY A 62 -1.288 12.843 -3.818 1.00 0.00 C ATOM 931 C GLY A 62 -1.167 11.956 -5.044 1.00 0.00 C ATOM 932 O GLY A 62 -0.791 12.425 -6.119 1.00 0.00 O ATOM 0 H GLY A 62 -1.108 11.175 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.317 13.191 -3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.663 13.726 -3.952 1.00 0.00 H new ATOM 936 N LYS A 63 -1.484 10.673 -4.890 1.00 0.00 N ATOM 937 CA LYS A 63 -1.403 9.731 -6.002 1.00 0.00 C ATOM 938 C LYS A 63 -2.569 8.745 -5.978 1.00 0.00 C ATOM 939 O LYS A 63 -3.222 8.519 -6.998 1.00 0.00 O ATOM 940 CB LYS A 63 -0.076 8.971 -5.955 1.00 0.00 C ATOM 941 CG LYS A 63 1.003 9.578 -6.838 1.00 0.00 C ATOM 942 CD LYS A 63 1.539 8.571 -7.843 1.00 0.00 C ATOM 943 CE LYS A 63 0.698 8.547 -9.109 1.00 0.00 C ATOM 944 NZ LYS A 63 -0.661 7.988 -8.863 1.00 0.00 N ATOM 0 H LYS A 63 -1.798 10.263 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.458 10.301 -6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.281 8.943 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.247 7.939 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.598 10.440 -7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.821 9.942 -6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.570 8.820 -8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.551 7.578 -7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.608 9.559 -9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.203 7.951 -9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.068 7.658 -9.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.593 7.190 -8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.271 8.725 -8.456 1.00 0.00 H new ATOM 958 N MET A 64 -2.822 8.154 -4.814 1.00 0.00 N ATOM 959 CA MET A 64 -3.906 7.187 -4.669 1.00 0.00 C ATOM 960 C MET A 64 -5.199 7.871 -4.234 1.00 0.00 C ATOM 961 O MET A 64 -5.200 9.046 -3.873 1.00 0.00 O ATOM 962 CB MET A 64 -3.529 6.103 -3.653 1.00 0.00 C ATOM 963 CG MET A 64 -2.047 5.758 -3.644 1.00 0.00 C ATOM 964 SD MET A 64 -1.155 6.579 -2.309 1.00 0.00 S ATOM 965 CE MET A 64 -1.084 5.266 -1.092 1.00 0.00 C ATOM 0 H MET A 64 -2.293 8.327 -3.959 1.00 0.00 H new ATOM 0 HA MET A 64 -4.068 6.724 -5.642 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.821 6.435 -2.657 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.101 5.201 -3.869 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.929 4.679 -3.546 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.606 6.041 -4.600 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.529 5.609 -0.219 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.096 4.991 -0.794 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.584 4.398 -1.522 1.00 0.00 H new ATOM 975 N VAL A 65 -6.299 7.120 -4.267 1.00 0.00 N ATOM 976 CA VAL A 65 -7.599 7.651 -3.870 1.00 0.00 C ATOM 977 C VAL A 65 -7.554 8.179 -2.438 1.00 0.00 C ATOM 978 O VAL A 65 -6.594 7.937 -1.708 1.00 0.00 O ATOM 979 CB VAL A 65 -8.702 6.580 -3.994 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.851 6.126 -5.439 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.402 5.400 -3.086 1.00 0.00 C ATOM 0 H VAL A 65 -6.314 6.144 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.836 8.473 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.647 7.022 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.634 5.371 -5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.117 6.979 -6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.909 5.703 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.190 4.654 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.446 4.958 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.354 5.740 -2.052 1.00 0.00 H new ATOM 991 N LYS A 66 -8.586 8.917 -2.048 1.00 0.00 N ATOM 992 CA LYS A 66 -8.653 9.499 -0.710 1.00 0.00 C ATOM 993 C LYS A 66 -8.740 8.437 0.390 1.00 0.00 C ATOM 994 O LYS A 66 -8.013 8.510 1.381 1.00 0.00 O ATOM 995 CB LYS A 66 -9.848 10.449 -0.608 1.00 0.00 C ATOM 996 CG LYS A 66 -9.540 11.737 0.141 1.00 0.00 C ATOM 997 CD LYS A 66 -9.551 12.941 -0.788 1.00 0.00 C ATOM 998 CE LYS A 66 -9.268 14.233 -0.034 1.00 0.00 C ATOM 999 NZ LYS A 66 -8.138 14.990 -0.636 1.00 0.00 N ATOM 0 H LYS A 66 -9.390 9.128 -2.639 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.725 10.051 -0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.192 10.696 -1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.669 9.935 -0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.274 11.882 0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.564 11.655 0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.804 12.805 -1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.520 13.012 -1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.162 14.856 -0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.038 14.003 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.977 15.863 -0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.278 14.406 -0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.368 15.232 -1.621 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.632 7.439 0.249 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.785 6.392 1.258 1.00 0.00 C ATOM 1015 C PRO A 67 -8.547 5.513 1.362 1.00 0.00 C ATOM 1016 O PRO A 67 -8.135 5.121 2.453 1.00 0.00 O ATOM 1017 CB PRO A 67 -10.980 5.564 0.778 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.203 5.931 -0.651 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.548 7.266 -0.889 1.00 0.00 C ATOM 0 HA PRO A 67 -9.931 6.819 2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.778 4.498 0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.866 5.778 1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.779 5.174 -1.311 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.269 5.984 -0.870 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.010 7.280 -1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.285 8.068 -0.930 1.00 0.00 H new ATOM 1027 N PHE A 68 -7.961 5.212 0.214 1.00 0.00 N ATOM 1028 CA PHE A 68 -6.766 4.379 0.159 1.00 0.00 C ATOM 1029 C PHE A 68 -5.539 5.161 0.614 1.00 0.00 C ATOM 1030 O PHE A 68 -4.785 4.704 1.474 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.552 3.850 -1.262 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.663 2.642 -1.337 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -4.287 2.771 -1.241 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -6.204 1.377 -1.507 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -3.466 1.663 -1.317 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -5.387 0.265 -1.581 1.00 0.00 C ATOM 1037 CZ PHE A 68 -4.017 0.408 -1.487 1.00 0.00 C ATOM 0 H PHE A 68 -8.293 5.532 -0.696 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.908 3.536 0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.521 3.603 -1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.122 4.643 -1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.851 3.750 -1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.275 1.259 -1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.395 1.778 -1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.820 -0.716 -1.712 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.377 -0.460 -1.546 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.345 6.343 0.036 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.208 7.186 0.387 1.00 0.00 C ATOM 1049 C GLU A 69 -4.226 7.528 1.871 1.00 0.00 C ATOM 1050 O GLU A 69 -3.178 7.677 2.498 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.221 8.467 -0.448 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.916 9.244 -0.395 1.00 0.00 C ATOM 1053 CD GLU A 69 -3.123 10.716 -0.099 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.704 11.418 -0.956 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -2.708 11.169 0.987 1.00 0.00 O ATOM 0 H GLU A 69 -5.960 6.738 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.294 6.633 0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.440 8.212 -1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.030 9.109 -0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.271 8.811 0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.396 9.139 -1.347 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.427 7.652 2.428 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.582 7.977 3.840 1.00 0.00 C ATOM 1064 C ASP A 70 -5.100 6.828 4.722 1.00 0.00 C ATOM 1065 O ASP A 70 -4.371 7.041 5.690 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.045 8.296 4.153 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.237 8.813 5.565 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.334 8.605 6.403 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -8.290 9.429 5.835 1.00 0.00 O ATOM 0 H ASP A 70 -6.305 7.532 1.923 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.971 8.854 4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.411 9.039 3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.647 7.398 4.013 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.514 5.613 4.382 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.126 4.431 5.144 1.00 0.00 C ATOM 1076 C ALA A 71 -3.676 4.033 4.868 1.00 0.00 C ATOM 1077 O ALA A 71 -3.095 3.231 5.597 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.060 3.273 4.826 1.00 0.00 C ATOM 0 H ALA A 71 -6.119 5.420 3.583 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.206 4.676 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.761 2.396 5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.082 3.547 5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.007 3.045 3.761 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.100 4.592 3.807 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.722 4.288 3.432 1.00 0.00 C ATOM 1086 C ALA A 72 -0.749 4.571 4.575 1.00 0.00 C ATOM 1087 O ALA A 72 0.122 3.756 4.877 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.327 5.082 2.197 1.00 0.00 C ATOM 0 H ALA A 72 -3.566 5.258 3.191 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.667 3.223 3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.297 4.847 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.988 4.821 1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.412 6.148 2.407 1.00 0.00 H new ATOM 1094 N PHE A 73 -0.900 5.732 5.202 1.00 0.00 N ATOM 1095 CA PHE A 73 -0.027 6.126 6.307 1.00 0.00 C ATOM 1096 C PHE A 73 -0.608 5.707 7.658 1.00 0.00 C ATOM 1097 O PHE A 73 -0.192 6.210 8.701 1.00 0.00 O ATOM 1098 CB PHE A 73 0.200 7.640 6.289 1.00 0.00 C ATOM 1099 CG PHE A 73 -1.052 8.433 6.053 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.939 8.679 7.090 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.348 8.929 4.794 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -3.094 9.406 6.875 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.502 9.655 4.572 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.376 9.893 5.614 1.00 0.00 C ATOM 0 H PHE A 73 -1.617 6.418 4.966 1.00 0.00 H new ATOM 0 HA PHE A 73 0.926 5.614 6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.639 7.944 7.239 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.925 7.881 5.511 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.724 8.298 8.077 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.668 8.746 3.975 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.775 9.593 7.692 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.720 10.036 3.585 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.279 10.460 5.443 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.573 4.793 7.635 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.206 4.322 8.862 1.00 0.00 C ATOM 1116 C ARG A 74 -1.557 3.033 9.363 1.00 0.00 C ATOM 1117 O ARG A 74 -1.572 2.749 10.560 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.702 4.100 8.633 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.586 5.051 9.424 1.00 0.00 C ATOM 1120 CD ARG A 74 -4.963 6.274 8.604 1.00 0.00 C ATOM 1121 NE ARG A 74 -5.533 7.333 9.432 1.00 0.00 N ATOM 1122 CZ ARG A 74 -6.792 7.341 9.864 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -7.615 6.349 9.548 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -7.230 8.345 10.613 1.00 0.00 N ATOM 0 H ARG A 74 -1.933 4.365 6.782 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.069 5.088 9.625 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.919 4.214 7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.954 3.074 8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.490 4.531 9.740 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.066 5.365 10.329 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.080 6.652 8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.681 5.988 7.836 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.931 8.113 9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.284 5.576 8.971 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.579 6.360 9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.602 9.111 10.858 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.195 8.351 10.944 1.00 0.00 H new ATOM 1138 N LEU A 75 -0.994 2.255 8.443 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.350 0.996 8.807 1.00 0.00 C ATOM 1140 C LEU A 75 1.167 1.132 8.828 1.00 0.00 C ATOM 1141 O LEU A 75 1.873 0.437 8.096 1.00 0.00 O ATOM 1142 CB LEU A 75 -0.747 -0.113 7.835 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.180 -0.051 7.318 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -2.453 -1.258 6.443 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.164 0.007 8.476 1.00 0.00 C ATOM 0 H LEU A 75 -0.970 2.472 7.447 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.689 0.737 9.810 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.070 -0.084 6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.598 -1.074 8.327 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.308 0.855 6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.477 -1.215 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.762 -1.260 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.316 -2.169 7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.181 0.051 8.087 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.050 -0.883 9.095 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.967 0.895 9.077 1.00 0.00 H new ATOM 1157 N GLN A 76 1.668 2.016 9.678 1.00 0.00 N ATOM 1158 CA GLN A 76 3.106 2.216 9.795 1.00 0.00 C ATOM 1159 C GLN A 76 3.758 0.977 10.405 1.00 0.00 C ATOM 1160 O GLN A 76 4.937 0.703 10.176 1.00 0.00 O ATOM 1161 CB GLN A 76 3.405 3.454 10.641 1.00 0.00 C ATOM 1162 CG GLN A 76 3.181 4.760 9.894 1.00 0.00 C ATOM 1163 CD GLN A 76 4.003 5.903 10.457 1.00 0.00 C ATOM 1164 OE1 GLN A 76 5.223 5.801 10.586 1.00 0.00 O ATOM 1165 NE2 GLN A 76 3.337 7.001 10.796 1.00 0.00 N ATOM 0 H GLN A 76 1.105 2.603 10.293 1.00 0.00 H new ATOM 0 HA GLN A 76 3.522 2.374 8.800 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.775 3.439 11.530 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.439 3.411 10.983 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.432 4.620 8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.124 5.022 9.937 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.325 7.043 10.672 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.837 7.803 11.180 1.00 0.00 H new ATOM 1174 N VAL A 77 2.970 0.222 11.165 1.00 0.00 N ATOM 1175 CA VAL A 77 3.443 -1.003 11.798 1.00 0.00 C ATOM 1176 C VAL A 77 3.669 -2.094 10.753 1.00 0.00 C ATOM 1177 O VAL A 77 4.481 -2.997 10.947 1.00 0.00 O ATOM 1178 CB VAL A 77 2.434 -1.512 12.856 1.00 0.00 C ATOM 1179 CG1 VAL A 77 1.015 -1.467 12.309 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.780 -2.923 13.320 1.00 0.00 C ATOM 0 H VAL A 77 1.993 0.441 11.358 1.00 0.00 H new ATOM 0 HA VAL A 77 4.386 -0.772 12.293 1.00 0.00 H new ATOM 0 HB VAL A 77 2.497 -0.850 13.719 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.321 -1.829 13.068 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.760 -0.441 12.043 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.946 -2.099 11.424 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.052 -3.251 14.062 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.759 -3.602 12.467 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.776 -2.927 13.762 1.00 0.00 H new ATOM 1190 N GLY A 78 2.935 -2.004 9.648 1.00 0.00 N ATOM 1191 CA GLY A 78 3.057 -2.992 8.594 1.00 0.00 C ATOM 1192 C GLY A 78 2.060 -4.102 8.759 1.00 0.00 C ATOM 1193 O GLY A 78 2.413 -5.232 9.096 1.00 0.00 O ATOM 0 H GLY A 78 2.258 -1.264 9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.911 -2.512 7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.066 -3.405 8.597 1.00 0.00 H new ATOM 1197 N GLU A 79 0.810 -3.763 8.551 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.272 -4.705 8.701 1.00 0.00 C ATOM 1199 C GLU A 79 -1.317 -4.468 7.637 1.00 0.00 C ATOM 1200 O GLU A 79 -1.192 -3.540 6.844 1.00 0.00 O ATOM 1201 CB GLU A 79 -0.881 -4.529 10.078 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.538 -5.776 10.632 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.051 -5.681 10.657 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.574 -4.692 11.212 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -3.712 -6.597 10.124 1.00 0.00 O ATOM 0 H GLU A 79 0.515 -2.827 8.273 1.00 0.00 H new ATOM 0 HA GLU A 79 0.105 -5.722 8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.102 -4.205 10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.622 -3.730 10.036 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.242 -6.635 10.030 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.173 -5.955 11.643 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.354 -5.287 7.620 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.404 -5.104 6.641 1.00 0.00 C ATOM 1214 C VAL A 80 -4.326 -3.981 7.107 1.00 0.00 C ATOM 1215 O VAL A 80 -4.449 -3.732 8.304 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.221 -6.392 6.403 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.337 -6.142 5.398 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.317 -7.520 5.926 1.00 0.00 C ATOM 0 H VAL A 80 -2.489 -6.070 8.260 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.936 -4.846 5.691 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.672 -6.690 7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.901 -7.062 5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.003 -5.368 5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.907 -5.817 4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.912 -8.419 5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.835 -7.230 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.556 -7.720 6.680 1.00 0.00 H new ATOM 1228 N SER A 81 -4.946 -3.284 6.163 1.00 0.00 N ATOM 1229 CA SER A 81 -5.819 -2.170 6.506 1.00 0.00 C ATOM 1230 C SER A 81 -7.286 -2.544 6.357 1.00 0.00 C ATOM 1231 O SER A 81 -7.639 -3.478 5.635 1.00 0.00 O ATOM 1232 CB SER A 81 -5.498 -0.953 5.630 1.00 0.00 C ATOM 1233 OG SER A 81 -6.671 -0.230 5.294 1.00 0.00 O ATOM 0 H SER A 81 -4.862 -3.468 5.163 1.00 0.00 H new ATOM 0 HA SER A 81 -5.639 -1.919 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.804 -0.298 6.156 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.998 -1.281 4.719 1.00 0.00 H new ATOM 0 HG SER A 81 -6.840 0.454 5.975 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.127 -1.809 7.070 1.00 0.00 N ATOM 1240 CA GLU A 82 -9.563 -2.041 7.064 1.00 0.00 C ATOM 1241 C GLU A 82 -10.135 -2.080 5.652 1.00 0.00 C ATOM 1242 O GLU A 82 -9.588 -1.489 4.718 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.263 -0.960 7.882 1.00 0.00 C ATOM 1244 CG GLU A 82 -9.710 -0.834 9.288 1.00 0.00 C ATOM 1245 CD GLU A 82 -9.222 0.568 9.603 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -8.367 1.080 8.851 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -9.696 1.151 10.600 1.00 0.00 O ATOM 0 H GLU A 82 -7.833 -1.036 7.668 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.741 -3.019 7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.163 -0.003 7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.328 -1.184 7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.482 -1.115 10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.887 -1.538 9.415 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.264 -2.776 5.490 1.00 0.00 N ATOM 1255 CA PRO A 83 -11.940 -2.896 4.202 1.00 0.00 C ATOM 1256 C PRO A 83 -12.252 -1.533 3.599 1.00 0.00 C ATOM 1257 O PRO A 83 -13.190 -0.857 4.021 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.239 -3.644 4.538 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.381 -3.533 6.020 1.00 0.00 C ATOM 1260 CD PRO A 83 -11.981 -3.494 6.553 1.00 0.00 C ATOM 0 HA PRO A 83 -11.325 -3.410 3.463 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.093 -3.200 4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.186 -4.687 4.224 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.931 -2.633 6.295 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.932 -4.381 6.426 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.923 -2.971 7.508 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.578 -4.494 6.712 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.463 -1.135 2.609 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.663 0.150 1.950 1.00 0.00 C ATOM 1270 C VAL A 84 -12.362 -0.039 0.610 1.00 0.00 C ATOM 1271 O VAL A 84 -11.733 -0.389 -0.387 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.326 0.881 1.706 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.562 2.180 0.951 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.604 1.147 3.017 1.00 0.00 C ATOM 0 H VAL A 84 -10.682 -1.681 2.246 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.281 0.753 2.615 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.692 0.236 1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.609 2.684 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.028 1.963 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.218 2.826 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.665 1.663 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.230 1.768 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.399 0.201 3.518 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.669 0.196 0.597 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.453 0.053 -0.620 1.00 0.00 C ATOM 1286 C LYS A 85 -14.542 1.374 -1.372 1.00 0.00 C ATOM 1287 O LYS A 85 -15.167 2.326 -0.904 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.859 -0.452 -0.288 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.637 -0.929 -1.503 1.00 0.00 C ATOM 1290 CD LYS A 85 -17.311 0.227 -2.222 1.00 0.00 C ATOM 1291 CE LYS A 85 -18.719 -0.136 -2.665 1.00 0.00 C ATOM 1292 NZ LYS A 85 -18.719 -1.233 -3.673 1.00 0.00 N ATOM 0 H LYS A 85 -14.206 0.486 1.415 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.952 -0.674 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.782 -1.270 0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.417 0.347 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.963 -1.442 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.389 -1.654 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.348 1.094 -1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.717 0.512 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -19.305 -0.440 -1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -19.205 0.744 -3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -19.698 -1.451 -3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.181 -0.934 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -18.278 -2.081 -3.263 1.00 0.00 H new ATOM 1306 N SER A 86 -13.918 1.420 -2.544 1.00 0.00 N ATOM 1307 CA SER A 86 -13.932 2.619 -3.369 1.00 0.00 C ATOM 1308 C SER A 86 -14.686 2.363 -4.668 1.00 0.00 C ATOM 1309 O SER A 86 -15.247 1.284 -4.867 1.00 0.00 O ATOM 1310 CB SER A 86 -12.501 3.071 -3.675 1.00 0.00 C ATOM 1311 OG SER A 86 -11.828 3.469 -2.492 1.00 0.00 O ATOM 0 H SER A 86 -13.396 0.640 -2.943 1.00 0.00 H new ATOM 0 HA SER A 86 -14.442 3.410 -2.818 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.954 2.258 -4.153 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.521 3.900 -4.382 1.00 0.00 H new ATOM 0 HG SER A 86 -10.869 3.293 -2.586 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.696 3.352 -5.554 1.00 0.00 N ATOM 1318 CA GLU A 87 -15.379 3.220 -6.836 1.00 0.00 C ATOM 1319 C GLU A 87 -14.862 2.005 -7.606 1.00 0.00 C ATOM 1320 O GLU A 87 -15.543 1.483 -8.490 1.00 0.00 O ATOM 1321 CB GLU A 87 -15.191 4.486 -7.671 1.00 0.00 C ATOM 1322 CG GLU A 87 -13.737 4.907 -7.817 1.00 0.00 C ATOM 1323 CD GLU A 87 -13.376 6.077 -6.921 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -13.588 5.972 -5.695 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -12.885 7.098 -7.447 1.00 0.00 O ATOM 0 H GLU A 87 -14.240 4.253 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.442 3.078 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.615 4.324 -8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.752 5.300 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.092 4.061 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.543 5.176 -8.855 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.655 1.564 -7.265 1.00 0.00 N ATOM 1333 CA PHE A 88 -13.043 0.418 -7.924 1.00 0.00 C ATOM 1334 C PHE A 88 -13.463 -0.895 -7.260 1.00 0.00 C ATOM 1335 O PHE A 88 -13.427 -1.953 -7.885 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.518 0.555 -7.904 1.00 0.00 C ATOM 1337 CG PHE A 88 -10.924 0.842 -9.252 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -11.046 -0.071 -10.287 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.241 2.025 -9.484 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.499 0.192 -11.529 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -9.693 2.294 -10.724 1.00 0.00 C ATOM 1342 CZ PHE A 88 -9.822 1.377 -11.748 1.00 0.00 C ATOM 0 H PHE A 88 -13.081 1.985 -6.534 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.389 0.397 -8.957 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.242 1.355 -7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.084 -0.365 -7.513 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.574 -0.998 -10.122 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.136 2.745 -8.686 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.601 -0.528 -12.328 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.164 3.221 -10.892 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.395 1.585 -12.718 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.861 -0.821 -5.991 1.00 0.00 N ATOM 1353 CA GLY A 89 -14.278 -2.016 -5.276 1.00 0.00 C ATOM 1354 C GLY A 89 -13.712 -2.089 -3.875 1.00 0.00 C ATOM 1355 O GLY A 89 -13.122 -1.127 -3.382 1.00 0.00 O ATOM 0 H GLY A 89 -13.902 0.041 -5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.366 -2.042 -5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.964 -2.897 -5.836 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.892 -3.238 -3.232 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.397 -3.446 -1.885 1.00 0.00 C ATOM 1361 C TYR A 90 -11.884 -3.642 -1.912 1.00 0.00 C ATOM 1362 O TYR A 90 -11.390 -4.726 -2.221 1.00 0.00 O ATOM 1363 CB TYR A 90 -14.098 -4.659 -1.275 1.00 0.00 C ATOM 1364 CG TYR A 90 -14.984 -4.322 -0.096 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -16.202 -3.675 -0.282 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -14.611 -4.651 1.199 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -17.017 -3.368 0.790 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -15.422 -4.349 2.276 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.624 -3.708 2.066 1.00 0.00 C ATOM 1370 OH TYR A 90 -17.435 -3.406 3.136 1.00 0.00 O ATOM 0 H TYR A 90 -14.380 -4.041 -3.629 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.612 -2.572 -1.271 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.700 -5.144 -2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.345 -5.381 -0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -16.515 -3.409 -1.281 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.670 -5.152 1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -17.958 -2.864 0.629 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -15.116 -4.614 3.277 1.00 0.00 H new ATOM 0 HH TYR A 90 -17.012 -3.714 3.964 1.00 0.00 H new ATOM 1380 N HIS A 91 -11.158 -2.568 -1.619 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.701 -2.593 -1.641 1.00 0.00 C ATOM 1382 C HIS A 91 -9.106 -3.068 -0.318 1.00 0.00 C ATOM 1383 O HIS A 91 -9.799 -3.185 0.692 1.00 0.00 O ATOM 1384 CB HIS A 91 -9.168 -1.197 -1.971 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.540 -0.719 -3.339 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -10.750 -0.124 -3.627 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -8.851 -0.744 -4.507 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -10.791 0.194 -4.908 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -9.651 -0.171 -5.463 1.00 0.00 N ATOM 0 H HIS A 91 -11.558 -1.665 -1.362 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.399 -3.306 -2.409 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.546 -0.490 -1.233 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.082 -1.202 -1.880 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.498 0.045 -2.954 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.858 -1.141 -4.657 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.617 0.671 -5.415 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.800 -3.324 -0.345 1.00 0.00 N ATOM 1399 CA VAL A 92 -7.058 -3.774 0.827 1.00 0.00 C ATOM 1400 C VAL A 92 -5.649 -3.188 0.799 1.00 0.00 C ATOM 1401 O VAL A 92 -5.129 -2.875 -0.272 1.00 0.00 O ATOM 1402 CB VAL A 92 -6.969 -5.311 0.888 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.308 -5.760 2.182 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.350 -5.932 0.745 1.00 0.00 C ATOM 0 H VAL A 92 -7.227 -3.225 -1.183 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.592 -3.429 1.712 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.353 -5.652 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.255 -6.848 2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.301 -5.346 2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.893 -5.407 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.267 -7.018 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.991 -5.583 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.782 -5.641 -0.212 1.00 0.00 H new ATOM 1414 N ILE A 93 -5.034 -3.020 1.967 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.692 -2.446 2.027 1.00 0.00 C ATOM 1416 C ILE A 93 -2.787 -3.184 3.011 1.00 0.00 C ATOM 1417 O ILE A 93 -3.085 -3.273 4.202 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.733 -0.947 2.413 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.154 -0.390 2.281 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.767 -0.146 1.549 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.265 1.079 2.629 1.00 0.00 C ATOM 0 H ILE A 93 -5.435 -3.268 2.871 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.278 -2.554 1.025 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.425 -0.856 3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.500 -0.539 1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.820 -0.960 2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.809 0.905 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.754 -0.521 1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.046 -0.249 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.299 1.403 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.950 1.233 3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.626 1.660 1.964 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.662 -3.685 2.500 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.679 -4.393 3.318 1.00 0.00 C ATOM 1435 C LYS A 94 0.708 -3.792 3.085 1.00 0.00 C ATOM 1436 O LYS A 94 1.251 -3.874 1.985 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.681 -5.890 2.988 1.00 0.00 C ATOM 1438 CG LYS A 94 0.448 -6.666 3.649 1.00 0.00 C ATOM 1439 CD LYS A 94 0.424 -6.507 5.161 1.00 0.00 C ATOM 1440 CE LYS A 94 1.274 -7.563 5.849 1.00 0.00 C ATOM 1441 NZ LYS A 94 0.498 -8.322 6.869 1.00 0.00 N ATOM 0 H LYS A 94 -1.408 -3.612 1.515 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.943 -4.280 4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.634 -6.319 3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.611 -6.014 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.364 -7.722 3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.405 -6.319 3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.788 -5.515 5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.603 -6.577 5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.668 -8.254 5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.131 -7.086 6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.866 -9.293 6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.590 -7.855 7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.504 -8.349 6.593 1.00 0.00 H new ATOM 1455 N ARG A 95 1.255 -3.152 4.114 1.00 0.00 N ATOM 1456 CA ARG A 95 2.554 -2.493 4.009 1.00 0.00 C ATOM 1457 C ARG A 95 3.655 -3.447 3.578 1.00 0.00 C ATOM 1458 O ARG A 95 3.758 -4.576 4.059 1.00 0.00 O ATOM 1459 CB ARG A 95 2.928 -1.844 5.341 1.00 0.00 C ATOM 1460 CG ARG A 95 3.548 -0.464 5.193 1.00 0.00 C ATOM 1461 CD ARG A 95 4.793 -0.314 6.054 1.00 0.00 C ATOM 1462 NE ARG A 95 5.911 -1.105 5.546 1.00 0.00 N ATOM 1463 CZ ARG A 95 7.164 -0.981 5.977 1.00 0.00 C ATOM 1464 NH1 ARG A 95 7.463 -0.101 6.925 1.00 0.00 N ATOM 1465 NH2 ARG A 95 8.121 -1.739 5.461 1.00 0.00 N ATOM 0 H ARG A 95 0.818 -3.075 5.033 1.00 0.00 H new ATOM 0 HA ARG A 95 2.461 -1.728 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.035 -1.767 5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.628 -2.493 5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.805 -0.290 4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.818 0.295 5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.081 0.736 6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.566 -0.621 7.075 1.00 0.00 H new ATOM 0 HE ARG A 95 5.720 -1.793 4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.731 0.484 7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.425 -0.010 7.252 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.897 -2.418 4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.081 -1.644 5.792 1.00 0.00 H new ATOM 1479 N LEU A 96 4.482 -2.961 2.659 1.00 0.00 N ATOM 1480 CA LEU A 96 5.591 -3.707 2.126 1.00 0.00 C ATOM 1481 C LEU A 96 6.616 -2.750 1.522 1.00 0.00 C ATOM 1482 O LEU A 96 6.332 -2.032 0.564 1.00 0.00 O ATOM 1483 CB LEU A 96 5.087 -4.701 1.074 1.00 0.00 C ATOM 1484 CG LEU A 96 5.265 -4.281 -0.391 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.705 -4.499 -0.842 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.299 -5.043 -1.286 1.00 0.00 C ATOM 0 H LEU A 96 4.391 -2.025 2.265 1.00 0.00 H new ATOM 0 HA LEU A 96 6.073 -4.266 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.602 -5.650 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.027 -4.882 1.253 1.00 0.00 H new ATOM 0 HG LEU A 96 5.041 -3.217 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.810 -4.195 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.375 -3.904 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.961 -5.554 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.440 -4.732 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.489 -6.113 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.275 -4.831 -0.980 1.00 0.00 H new ATOM 1498 N GLY A 97 7.803 -2.741 2.094 1.00 0.00 N ATOM 1499 CA GLY A 97 8.855 -1.875 1.604 1.00 0.00 C ATOM 1500 C GLY A 97 10.236 -2.357 1.999 1.00 0.00 C ATOM 1501 O GLY A 97 10.582 -3.508 1.662 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.973 -1.583 2.646 1.00 0.00 O ATOM 0 H GLY A 97 8.062 -3.319 2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.793 -1.812 0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.701 -0.868 1.991 1.00 0.00 H new TER 1506 GLY A 97