USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 692 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 TYR OH : rot -71:sc= 1.32 USER MOD Set 1.2: A 99 GLN : amide:sc= 1.07 K(o=2.4,f=-2.2) USER MOD Set 2.1: A 50 MET CE :methyl -169:sc= 0 (180deg=-0.0246) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.00532 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0.662 (180deg=0.662) USER MOD Single : A 23 ASN : amide:sc= 0.54 K(o=0.54,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 37 THR OG1 : rot -43:sc= 1.27 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 46 TYR OH : rot 0:sc= 0 USER MOD Single : A 47 SER OG : rot 140:sc= 1.27 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0.258 K(o=0.26,f=-1.1) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 67 THR OG1 : rot 62:sc= 1.2 USER MOD Single : A 68 ASN : amide:sc= 0.16 K(o=0.16,f=-3.1!) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 0.509 (180deg=0.477) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 173:sc= 0.99 (180deg=0.945) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0684 X(o=-0.068,f=0.038) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 -0.336 -0.683 -4.432 1.00 0.00 N ATOM 30 CA ASP A 3 -0.897 -1.013 -5.768 1.00 0.00 C ATOM 31 C ASP A 3 -2.467 -0.877 -5.747 1.00 0.00 C ATOM 32 O ASP A 3 -3.118 -1.714 -5.108 1.00 0.00 O ATOM 33 CB ASP A 3 -0.396 -2.435 -6.137 1.00 0.00 C ATOM 34 CG ASP A 3 -0.771 -2.887 -7.548 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.886 -3.293 -7.860 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.265 -2.772 -8.423 1.00 0.00 O ATOM 0 HA ASP A 3 -0.559 -0.319 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.689 -2.463 -6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.802 -3.148 -5.420 1.00 0.00 H new ATOM 41 N PRO A 4 -3.122 0.103 -6.443 1.00 0.00 N ATOM 42 CA PRO A 4 -4.607 0.229 -6.437 1.00 0.00 C ATOM 43 C PRO A 4 -5.454 -0.863 -7.171 1.00 0.00 C ATOM 44 O PRO A 4 -6.584 -1.119 -6.748 1.00 0.00 O ATOM 45 CB PRO A 4 -4.839 1.660 -6.954 1.00 0.00 C ATOM 46 CG PRO A 4 -3.549 2.142 -7.609 1.00 0.00 C ATOM 47 CD PRO A 4 -2.437 1.191 -7.166 1.00 0.00 C ATOM 0 HA PRO A 4 -4.985 0.046 -5.431 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.660 1.677 -7.671 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.119 2.320 -6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.645 2.143 -8.695 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.323 3.165 -7.308 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.883 0.807 -8.023 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.718 1.699 -6.523 1.00 0.00 H new ATOM 55 N ALA A 5 -4.928 -1.538 -8.211 1.00 0.00 N ATOM 56 CA ALA A 5 -5.550 -2.772 -8.775 1.00 0.00 C ATOM 57 C ALA A 5 -5.654 -3.985 -7.786 1.00 0.00 C ATOM 58 O ALA A 5 -6.742 -4.546 -7.626 1.00 0.00 O ATOM 59 CB ALA A 5 -4.788 -3.115 -10.069 1.00 0.00 C ATOM 0 H ALA A 5 -4.071 -1.255 -8.686 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.599 -2.562 -8.984 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.213 -4.014 -10.514 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.874 -2.287 -10.772 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.737 -3.287 -9.838 1.00 0.00 H new ATOM 65 N ALA A 6 -4.569 -4.335 -7.063 1.00 0.00 N ATOM 66 CA ALA A 6 -4.655 -5.197 -5.852 1.00 0.00 C ATOM 67 C ALA A 6 -5.548 -4.661 -4.678 1.00 0.00 C ATOM 68 O ALA A 6 -6.308 -5.435 -4.090 1.00 0.00 O ATOM 69 CB ALA A 6 -3.210 -5.486 -5.409 1.00 0.00 C ATOM 0 H ALA A 6 -3.621 -4.037 -7.292 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.187 -6.107 -6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.221 -6.117 -4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.679 -5.998 -6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.705 -4.547 -5.181 1.00 0.00 H new ATOM 75 N GLY A 7 -5.524 -3.347 -4.378 1.00 0.00 N ATOM 76 CA GLY A 7 -6.543 -2.694 -3.509 1.00 0.00 C ATOM 77 C GLY A 7 -8.043 -2.829 -3.869 1.00 0.00 C ATOM 78 O GLY A 7 -8.863 -2.968 -2.961 1.00 0.00 O ATOM 0 H GLY A 7 -4.808 -2.708 -4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.412 -3.084 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.309 -1.630 -3.472 1.00 0.00 H new ATOM 82 N GLU A 8 -8.404 -2.830 -5.164 1.00 0.00 N ATOM 83 CA GLU A 8 -9.776 -3.182 -5.634 1.00 0.00 C ATOM 84 C GLU A 8 -10.280 -4.614 -5.260 1.00 0.00 C ATOM 85 O GLU A 8 -11.445 -4.747 -4.873 1.00 0.00 O ATOM 86 CB GLU A 8 -9.851 -2.926 -7.165 1.00 0.00 C ATOM 87 CG GLU A 8 -11.281 -2.808 -7.764 1.00 0.00 C ATOM 88 CD GLU A 8 -11.912 -4.091 -8.312 1.00 0.00 C ATOM 89 OE1 GLU A 8 -12.474 -4.871 -7.338 1.00 0.00 O ATOM 90 OE2 GLU A 8 -11.927 -4.367 -9.508 1.00 0.00 O ATOM 0 H GLU A 8 -7.763 -2.589 -5.920 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.466 -2.534 -5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.308 -2.007 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.330 -3.736 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.940 -2.409 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.252 -2.074 -8.569 1.00 0.00 H new ATOM 97 N LYS A 9 -9.447 -5.664 -5.391 1.00 0.00 N ATOM 98 CA LYS A 9 -9.756 -7.011 -4.819 1.00 0.00 C ATOM 99 C LYS A 9 -9.749 -7.107 -3.251 1.00 0.00 C ATOM 100 O LYS A 9 -10.635 -7.761 -2.695 1.00 0.00 O ATOM 101 CB LYS A 9 -8.955 -8.131 -5.535 1.00 0.00 C ATOM 102 CG LYS A 9 -7.422 -8.122 -5.374 1.00 0.00 C ATOM 103 CD LYS A 9 -6.747 -9.359 -5.995 1.00 0.00 C ATOM 104 CE LYS A 9 -5.220 -9.341 -5.824 1.00 0.00 C ATOM 105 NZ LYS A 9 -4.635 -10.565 -6.405 1.00 0.00 N ATOM 0 H LYS A 9 -8.555 -5.617 -5.884 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.809 -7.182 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.325 -9.091 -5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.182 -8.079 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.018 -7.222 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.173 -8.072 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.151 -10.260 -5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.990 -9.408 -7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.801 -8.461 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.965 -9.272 -4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.602 -10.546 -6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.024 -11.399 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.866 -10.613 -7.418 1.00 0.00 H new ATOM 118 N VAL A 10 -8.841 -6.412 -2.528 1.00 0.00 N ATOM 119 CA VAL A 10 -8.968 -6.196 -1.043 1.00 0.00 C ATOM 120 C VAL A 10 -10.289 -5.434 -0.622 1.00 0.00 C ATOM 121 O VAL A 10 -10.922 -5.830 0.363 1.00 0.00 O ATOM 122 CB VAL A 10 -7.662 -5.564 -0.433 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.699 -5.449 1.111 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.353 -6.330 -0.751 1.00 0.00 C ATOM 0 H VAL A 10 -8.009 -5.986 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.074 -7.186 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.651 -4.586 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.768 -5.006 1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.537 -4.819 1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.817 -6.441 1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.510 -5.817 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.421 -7.345 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.206 -6.367 -1.830 1.00 0.00 H new ATOM 134 N PHE A 11 -10.756 -4.416 -1.384 1.00 0.00 N ATOM 135 CA PHE A 11 -12.129 -3.838 -1.243 1.00 0.00 C ATOM 136 C PHE A 11 -13.346 -4.832 -1.403 1.00 0.00 C ATOM 137 O PHE A 11 -14.433 -4.516 -0.917 1.00 0.00 O ATOM 138 CB PHE A 11 -12.230 -2.591 -2.179 1.00 0.00 C ATOM 139 CG PHE A 11 -13.346 -1.589 -1.814 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.647 -1.778 -2.292 1.00 0.00 C ATOM 141 CD2 PHE A 11 -13.086 -0.511 -0.960 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.686 -0.961 -1.851 1.00 0.00 C ATOM 143 CE2 PHE A 11 -14.122 0.319 -0.538 1.00 0.00 C ATOM 144 CZ PHE A 11 -15.427 0.071 -0.956 1.00 0.00 C ATOM 0 H PHE A 11 -10.200 -3.969 -2.113 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.237 -3.552 -0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -11.274 -2.067 -2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.391 -2.935 -3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.847 -2.562 -3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.076 -0.322 -0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.693 -1.129 -2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.913 1.155 0.113 1.00 0.00 H new ATOM 0 HZ PHE A 11 -16.238 0.680 -0.585 1.00 0.00 H new ATOM 154 N GLY A 12 -13.181 -6.049 -1.964 1.00 0.00 N ATOM 155 CA GLY A 12 -14.119 -7.188 -1.738 1.00 0.00 C ATOM 156 C GLY A 12 -14.617 -7.498 -0.296 1.00 0.00 C ATOM 157 O GLY A 12 -15.794 -7.812 -0.113 1.00 0.00 O ATOM 0 H GLY A 12 -12.403 -6.277 -2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.999 -7.014 -2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.636 -8.089 -2.117 1.00 0.00 H new ATOM 161 N LYS A 13 -13.750 -7.355 0.721 1.00 0.00 N ATOM 162 CA LYS A 13 -14.176 -7.302 2.156 1.00 0.00 C ATOM 163 C LYS A 13 -15.022 -6.058 2.610 1.00 0.00 C ATOM 164 O LYS A 13 -15.833 -6.169 3.532 1.00 0.00 O ATOM 165 CB LYS A 13 -12.905 -7.437 3.043 1.00 0.00 C ATOM 166 CG LYS A 13 -12.226 -8.827 3.041 1.00 0.00 C ATOM 167 CD LYS A 13 -10.917 -8.835 3.857 1.00 0.00 C ATOM 168 CE LYS A 13 -10.196 -10.193 3.914 1.00 0.00 C ATOM 169 NZ LYS A 13 -10.878 -11.135 4.825 1.00 0.00 N ATOM 0 H LYS A 13 -12.742 -7.273 0.589 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.873 -8.131 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.175 -6.697 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.173 -7.186 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.913 -9.566 3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.014 -9.125 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.237 -8.097 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.139 -8.515 4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.150 -10.623 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.168 -10.046 4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.364 -12.039 4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.900 -10.735 5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.851 -11.295 4.494 1.00 0.00 H new ATOM 182 N CYS A 14 -14.813 -4.889 1.992 1.00 0.00 N ATOM 183 CA CYS A 14 -15.550 -3.633 2.301 1.00 0.00 C ATOM 184 C CYS A 14 -16.896 -3.409 1.519 1.00 0.00 C ATOM 185 O CYS A 14 -17.838 -2.847 2.088 1.00 0.00 O ATOM 186 CB CYS A 14 -14.559 -2.465 2.067 1.00 0.00 C ATOM 187 SG CYS A 14 -12.854 -2.789 2.622 1.00 0.00 S ATOM 0 H CYS A 14 -14.120 -4.775 1.252 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.887 -3.696 3.336 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.541 -2.229 1.003 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.933 -1.581 2.583 1.00 0.00 H new ATOM 0 HG CYS A 14 -12.113 -1.750 2.376 1.00 0.00 H new ATOM 192 N LYS A 15 -16.991 -3.828 0.236 1.00 0.00 N ATOM 193 CA LYS A 15 -18.155 -3.550 -0.663 1.00 0.00 C ATOM 194 C LYS A 15 -19.595 -3.969 -0.219 1.00 0.00 C ATOM 195 O LYS A 15 -20.554 -3.275 -0.564 1.00 0.00 O ATOM 196 CB LYS A 15 -17.819 -4.057 -2.096 1.00 0.00 C ATOM 197 CG LYS A 15 -17.818 -5.587 -2.332 1.00 0.00 C ATOM 198 CD LYS A 15 -17.414 -5.962 -3.774 1.00 0.00 C ATOM 199 CE LYS A 15 -17.461 -7.472 -4.078 1.00 0.00 C ATOM 200 NZ LYS A 15 -18.845 -7.964 -4.227 1.00 0.00 N ATOM 0 H LYS A 15 -16.259 -4.375 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.256 -2.466 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.534 -3.611 -2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.835 -3.675 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.130 -6.059 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.811 -5.985 -2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.074 -5.443 -4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.404 -5.598 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.904 -7.675 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.966 -8.019 -3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.831 -8.984 -4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.371 -7.794 -3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.310 -7.461 -5.010 1.00 0.00 H new ATOM 213 N ALA A 16 -19.754 -5.067 0.545 1.00 0.00 N ATOM 214 CA ALA A 16 -21.051 -5.425 1.185 1.00 0.00 C ATOM 215 C ALA A 16 -21.692 -4.364 2.148 1.00 0.00 C ATOM 216 O ALA A 16 -22.920 -4.250 2.186 1.00 0.00 O ATOM 217 CB ALA A 16 -20.828 -6.778 1.887 1.00 0.00 C ATOM 0 H ALA A 16 -19.002 -5.728 0.739 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.801 -5.472 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.751 -7.091 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.536 -7.526 1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.039 -6.676 2.632 1.00 0.00 H new ATOM 223 N CYS A 17 -20.880 -3.595 2.898 1.00 0.00 N ATOM 224 CA CYS A 17 -21.364 -2.439 3.699 1.00 0.00 C ATOM 225 C CYS A 17 -21.149 -1.016 3.068 1.00 0.00 C ATOM 226 O CYS A 17 -22.001 -0.142 3.256 1.00 0.00 O ATOM 227 CB CYS A 17 -20.684 -2.527 5.077 1.00 0.00 C ATOM 228 SG CYS A 17 -20.843 -4.170 5.844 1.00 0.00 S ATOM 0 H CYS A 17 -19.875 -3.751 2.970 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.449 -2.524 3.753 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.627 -2.282 4.971 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -21.119 -1.779 5.740 1.00 0.00 H new ATOM 0 HG CYS A 17 -20.246 -4.170 6.999 1.00 0.00 H new ATOM 233 N HIS A 18 -20.007 -0.764 2.396 1.00 0.00 N ATOM 234 CA HIS A 18 -19.581 0.583 1.937 1.00 0.00 C ATOM 235 C HIS A 18 -19.628 0.679 0.377 1.00 0.00 C ATOM 236 O HIS A 18 -19.067 -0.149 -0.347 1.00 0.00 O ATOM 237 CB HIS A 18 -18.136 0.829 2.437 1.00 0.00 C ATOM 238 CG HIS A 18 -17.961 1.097 3.933 1.00 0.00 C ATOM 239 ND1 HIS A 18 -18.078 2.347 4.489 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.329 0.240 4.837 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.407 2.175 5.662 1.00 0.00 C ATOM 242 NE2 HIS A 18 -16.892 0.927 5.984 1.00 0.00 N ATOM 0 H HIS A 18 -19.342 -1.498 2.151 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.258 1.337 2.339 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.533 -0.040 2.175 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.727 1.678 1.889 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.542 3.179 4.123 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.193 -0.819 4.675 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.276 3.006 6.339 1.00 0.00 H new ATOM 250 N LYS A 19 -20.284 1.726 -0.136 1.00 0.00 N ATOM 251 CA LYS A 19 -20.773 1.754 -1.553 1.00 0.00 C ATOM 252 C LYS A 19 -19.857 2.331 -2.672 1.00 0.00 C ATOM 253 O LYS A 19 -20.101 2.020 -3.840 1.00 0.00 O ATOM 254 CB LYS A 19 -22.150 2.479 -1.571 1.00 0.00 C ATOM 255 CG LYS A 19 -23.335 1.693 -0.963 1.00 0.00 C ATOM 256 CD LYS A 19 -24.629 2.530 -0.961 1.00 0.00 C ATOM 257 CE LYS A 19 -25.854 1.723 -0.508 1.00 0.00 C ATOM 258 NZ LYS A 19 -27.021 2.621 -0.400 1.00 0.00 N ATOM 0 H LYS A 19 -20.497 2.572 0.393 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.811 0.700 -1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.050 3.421 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.395 2.727 -2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -23.494 0.777 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -23.091 1.397 0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.501 3.389 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.806 2.921 -1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -26.061 0.924 -1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -25.656 1.249 0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -27.852 2.075 -0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -26.821 3.368 0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -27.213 3.053 -1.326 1.00 0.00 H new ATOM 271 N LEU A 20 -18.904 3.229 -2.372 1.00 0.00 N ATOM 272 CA LEU A 20 -18.128 4.029 -3.377 1.00 0.00 C ATOM 273 C LEU A 20 -18.925 5.056 -4.249 1.00 0.00 C ATOM 274 O LEU A 20 -18.370 6.091 -4.622 1.00 0.00 O ATOM 275 CB LEU A 20 -17.185 3.157 -4.251 1.00 0.00 C ATOM 276 CG LEU A 20 -16.010 2.434 -3.554 1.00 0.00 C ATOM 277 CD1 LEU A 20 -15.336 1.468 -4.541 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.949 3.388 -2.979 1.00 0.00 C ATOM 0 H LEU A 20 -18.634 3.435 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.523 4.662 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.794 2.402 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.769 3.794 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.442 1.895 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.508 0.960 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.062 0.730 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.958 2.027 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.157 2.808 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.527 3.990 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.411 4.042 -2.240 1.00 0.00 H new ATOM 290 N ASP A 21 -20.204 4.815 -4.576 1.00 0.00 N ATOM 291 CA ASP A 21 -20.988 5.691 -5.509 1.00 0.00 C ATOM 292 C ASP A 21 -21.547 7.011 -4.854 1.00 0.00 C ATOM 293 O ASP A 21 -22.737 7.326 -4.961 1.00 0.00 O ATOM 294 CB ASP A 21 -22.093 4.819 -6.172 1.00 0.00 C ATOM 295 CG ASP A 21 -21.610 3.696 -7.092 1.00 0.00 C ATOM 296 OD1 ASP A 21 -21.039 4.171 -8.234 1.00 0.00 O ATOM 297 OD2 ASP A 21 -21.726 2.504 -6.834 1.00 0.00 O ATOM 0 H ASP A 21 -20.734 4.021 -4.215 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.311 6.074 -6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -22.700 4.377 -5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.747 5.475 -6.747 1.00 0.00 H new ATOM 302 N GLY A 22 -20.677 7.782 -4.167 1.00 0.00 N ATOM 303 CA GLY A 22 -21.049 9.007 -3.391 1.00 0.00 C ATOM 304 C GLY A 22 -22.264 9.020 -2.412 1.00 0.00 C ATOM 305 O GLY A 22 -22.772 10.096 -2.097 1.00 0.00 O ATOM 0 H GLY A 22 -19.679 7.576 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.172 9.291 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.220 9.801 -4.118 1.00 0.00 H new ATOM 309 N ASN A 23 -22.712 7.847 -1.936 1.00 0.00 N ATOM 310 CA ASN A 23 -23.959 7.682 -1.136 1.00 0.00 C ATOM 311 C ASN A 23 -23.746 6.598 -0.027 1.00 0.00 C ATOM 312 O ASN A 23 -23.051 5.596 -0.232 1.00 0.00 O ATOM 313 CB ASN A 23 -25.123 7.256 -2.079 1.00 0.00 C ATOM 314 CG ASN A 23 -25.726 8.377 -2.933 1.00 0.00 C ATOM 315 OD1 ASN A 23 -26.584 9.130 -2.489 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.318 8.526 -4.170 1.00 0.00 N ATOM 0 H ASN A 23 -22.219 6.968 -2.093 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.208 8.628 -0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -24.760 6.472 -2.744 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.916 6.818 -1.473 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -25.715 9.263 -4.752 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.604 7.905 -4.550 1.00 0.00 H new ATOM 323 N ASP A 24 -24.367 6.784 1.151 1.00 0.00 N ATOM 324 CA ASP A 24 -24.255 5.824 2.289 1.00 0.00 C ATOM 325 C ASP A 24 -25.319 4.669 2.306 1.00 0.00 C ATOM 326 O ASP A 24 -26.343 4.719 1.616 1.00 0.00 O ATOM 327 CB ASP A 24 -24.211 6.659 3.597 1.00 0.00 C ATOM 328 CG ASP A 24 -25.498 7.336 4.076 1.00 0.00 C ATOM 329 OD1 ASP A 24 -26.328 6.787 4.791 1.00 0.00 O ATOM 330 OD2 ASP A 24 -25.587 8.632 3.676 1.00 0.00 O ATOM 0 H ASP A 24 -24.957 7.592 1.351 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.332 5.256 2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.864 6.004 4.396 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -23.456 7.435 3.470 1.00 0.00 H new ATOM 335 N GLY A 25 -25.078 3.636 3.134 1.00 0.00 N ATOM 336 CA GLY A 25 -26.093 2.584 3.409 1.00 0.00 C ATOM 337 C GLY A 25 -25.912 1.937 4.790 1.00 0.00 C ATOM 338 O GLY A 25 -26.325 2.502 5.804 1.00 0.00 O ATOM 0 H GLY A 25 -24.195 3.501 3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.090 3.020 3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -26.031 1.814 2.640 1.00 0.00 H new ATOM 342 N VAL A 26 -25.273 0.761 4.823 1.00 0.00 N ATOM 343 CA VAL A 26 -24.828 0.115 6.105 1.00 0.00 C ATOM 344 C VAL A 26 -23.598 0.867 6.727 1.00 0.00 C ATOM 345 O VAL A 26 -23.659 1.236 7.902 1.00 0.00 O ATOM 346 CB VAL A 26 -24.601 -1.428 5.933 1.00 0.00 C ATOM 347 CG1 VAL A 26 -24.147 -2.146 7.228 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.837 -2.200 5.410 1.00 0.00 C ATOM 0 H VAL A 26 -25.044 0.223 3.987 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.637 0.210 6.830 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.805 -1.454 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -24.012 -3.209 7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -23.204 -1.719 7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.905 -2.017 8.001 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.594 -3.259 5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.665 -2.076 6.107 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -26.123 -1.810 4.433 1.00 0.00 H new ATOM 358 N GLY A 27 -22.517 1.107 5.960 1.00 0.00 N ATOM 359 CA GLY A 27 -21.524 2.158 6.294 1.00 0.00 C ATOM 360 C GLY A 27 -21.596 3.447 5.412 1.00 0.00 C ATOM 361 O GLY A 27 -22.380 3.507 4.455 1.00 0.00 O ATOM 0 H GLY A 27 -22.305 0.591 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.658 2.443 7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.525 1.732 6.206 1.00 0.00 H new ATOM 365 N PRO A 28 -20.766 4.500 5.668 1.00 0.00 N ATOM 366 CA PRO A 28 -20.654 5.684 4.764 1.00 0.00 C ATOM 367 C PRO A 28 -19.983 5.413 3.375 1.00 0.00 C ATOM 368 O PRO A 28 -19.431 4.339 3.117 1.00 0.00 O ATOM 369 CB PRO A 28 -19.855 6.657 5.657 1.00 0.00 C ATOM 370 CG PRO A 28 -18.997 5.763 6.548 1.00 0.00 C ATOM 371 CD PRO A 28 -19.919 4.597 6.873 1.00 0.00 C ATOM 0 HA PRO A 28 -21.623 6.057 4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.237 7.326 5.058 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.520 7.284 6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.095 5.431 6.034 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.676 6.284 7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.361 3.678 7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.511 4.787 7.768 1.00 0.00 H new ATOM 379 N HIS A 29 -19.990 6.405 2.469 1.00 0.00 N ATOM 380 CA HIS A 29 -19.273 6.293 1.168 1.00 0.00 C ATOM 381 C HIS A 29 -17.724 6.437 1.323 1.00 0.00 C ATOM 382 O HIS A 29 -17.212 7.512 1.657 1.00 0.00 O ATOM 383 CB HIS A 29 -19.885 7.256 0.119 1.00 0.00 C ATOM 384 CG HIS A 29 -19.765 8.766 0.344 1.00 0.00 C ATOM 385 ND1 HIS A 29 -20.684 9.506 1.072 1.00 0.00 N ATOM 386 CD2 HIS A 29 -18.808 9.604 -0.255 1.00 0.00 C ATOM 387 CE1 HIS A 29 -20.190 10.763 0.826 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.060 10.922 0.068 1.00 0.00 N ATOM 0 H HIS A 29 -20.478 7.291 2.603 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.420 5.282 0.789 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.428 7.029 -0.844 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -20.945 7.019 0.032 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -17.993 9.265 -0.878 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.693 11.628 1.231 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -18.552 11.770 -0.185 1.00 0.00 H new ATOM 396 N LEU A 30 -16.969 5.360 1.049 1.00 0.00 N ATOM 397 CA LEU A 30 -15.468 5.415 1.057 1.00 0.00 C ATOM 398 C LEU A 30 -14.759 6.106 -0.164 1.00 0.00 C ATOM 399 O LEU A 30 -13.529 6.204 -0.173 1.00 0.00 O ATOM 400 CB LEU A 30 -14.908 3.991 1.324 1.00 0.00 C ATOM 401 CG LEU A 30 -15.193 3.366 2.712 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.688 1.917 2.756 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.580 4.140 3.892 1.00 0.00 C ATOM 0 H LEU A 30 -17.353 4.443 0.820 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.218 6.098 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.310 3.322 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.828 4.021 1.183 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.276 3.410 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.895 1.489 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.197 1.331 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.614 1.900 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.827 3.635 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.497 4.181 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.981 5.153 3.910 1.00 0.00 H new ATOM 415 N ASN A 31 -15.506 6.654 -1.140 1.00 0.00 N ATOM 416 CA ASN A 31 -14.957 7.547 -2.191 1.00 0.00 C ATOM 417 C ASN A 31 -14.601 8.946 -1.587 1.00 0.00 C ATOM 418 O ASN A 31 -15.457 9.634 -1.018 1.00 0.00 O ATOM 419 CB ASN A 31 -16.008 7.591 -3.326 1.00 0.00 C ATOM 420 CG ASN A 31 -15.548 8.256 -4.614 1.00 0.00 C ATOM 421 OD1 ASN A 31 -14.746 7.705 -5.360 1.00 0.00 O ATOM 422 ND2 ASN A 31 -16.021 9.437 -4.911 1.00 0.00 N ATOM 0 H ASN A 31 -16.509 6.493 -1.227 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.017 7.180 -2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.315 6.570 -3.553 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.891 8.116 -2.961 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.723 9.905 -5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.688 9.891 -4.287 1.00 0.00 H new ATOM 429 N GLY A 32 -13.310 9.293 -1.638 1.00 0.00 N ATOM 430 CA GLY A 32 -12.767 10.492 -0.946 1.00 0.00 C ATOM 431 C GLY A 32 -12.522 10.396 0.579 1.00 0.00 C ATOM 432 O GLY A 32 -12.658 11.408 1.265 1.00 0.00 O ATOM 0 H GLY A 32 -12.608 8.762 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.822 10.753 -1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.453 11.320 -1.124 1.00 0.00 H new ATOM 436 N VAL A 33 -12.152 9.218 1.114 1.00 0.00 N ATOM 437 CA VAL A 33 -11.871 9.031 2.575 1.00 0.00 C ATOM 438 C VAL A 33 -10.425 9.410 3.060 1.00 0.00 C ATOM 439 O VAL A 33 -10.283 9.845 4.206 1.00 0.00 O ATOM 440 CB VAL A 33 -12.351 7.609 3.032 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.490 6.435 2.513 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.494 7.478 4.567 1.00 0.00 C ATOM 0 H VAL A 33 -12.036 8.367 0.563 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.464 9.783 3.096 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.333 7.530 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.899 5.494 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.497 6.433 1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.466 6.549 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.829 6.471 4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.530 7.667 5.040 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.224 8.203 4.928 1.00 0.00 H new ATOM 452 N VAL A 34 -9.362 9.243 2.246 1.00 0.00 N ATOM 453 CA VAL A 34 -7.947 9.459 2.693 1.00 0.00 C ATOM 454 C VAL A 34 -7.658 10.996 2.824 1.00 0.00 C ATOM 455 O VAL A 34 -7.700 11.739 1.839 1.00 0.00 O ATOM 456 CB VAL A 34 -6.909 8.708 1.785 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.471 8.775 2.357 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.225 7.211 1.559 1.00 0.00 C ATOM 0 H VAL A 34 -9.445 8.958 1.270 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.824 9.014 3.681 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.984 9.237 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.790 8.241 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.159 9.816 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.450 8.314 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.459 6.770 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.241 6.694 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.198 7.113 1.078 1.00 0.00 H new ATOM 468 N GLY A 35 -7.423 11.464 4.062 1.00 0.00 N ATOM 469 CA GLY A 35 -7.495 12.915 4.401 1.00 0.00 C ATOM 470 C GLY A 35 -8.830 13.491 4.950 1.00 0.00 C ATOM 471 O GLY A 35 -8.829 14.638 5.400 1.00 0.00 O ATOM 0 H GLY A 35 -7.181 10.866 4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.719 13.120 5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.238 13.477 3.503 1.00 0.00 H new ATOM 475 N ARG A 36 -9.953 12.750 4.923 1.00 0.00 N ATOM 476 CA ARG A 36 -11.285 13.257 5.355 1.00 0.00 C ATOM 477 C ARG A 36 -11.517 13.070 6.888 1.00 0.00 C ATOM 478 O ARG A 36 -11.041 12.111 7.503 1.00 0.00 O ATOM 479 CB ARG A 36 -12.354 12.528 4.493 1.00 0.00 C ATOM 480 CG ARG A 36 -13.804 13.073 4.608 1.00 0.00 C ATOM 481 CD ARG A 36 -14.807 12.446 3.621 1.00 0.00 C ATOM 482 NE ARG A 36 -15.152 11.047 4.002 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.682 10.134 3.188 1.00 0.00 C ATOM 484 NH1 ARG A 36 -15.871 10.318 1.907 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.032 8.987 3.687 1.00 0.00 N ATOM 0 H ARG A 36 -9.971 11.782 4.602 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.353 14.333 5.196 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.048 12.581 3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.359 11.474 4.770 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.161 12.905 5.624 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.786 14.151 4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.714 13.050 3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.384 12.456 2.616 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.967 10.765 4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.607 11.203 1.475 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.282 9.576 1.340 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.899 8.801 4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.440 8.272 3.085 1.00 0.00 H new ATOM 499 N THR A 37 -12.291 13.982 7.493 1.00 0.00 N ATOM 500 CA THR A 37 -12.570 13.994 8.960 1.00 0.00 C ATOM 501 C THR A 37 -13.226 12.682 9.517 1.00 0.00 C ATOM 502 O THR A 37 -14.009 12.006 8.840 1.00 0.00 O ATOM 503 CB THR A 37 -13.364 15.306 9.259 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.630 16.445 8.800 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.657 15.586 10.741 1.00 0.00 C ATOM 0 H THR A 37 -12.749 14.741 6.988 1.00 0.00 H new ATOM 0 HA THR A 37 -11.631 14.000 9.514 1.00 0.00 H new ATOM 0 HB THR A 37 -14.311 15.148 8.743 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.685 16.342 9.037 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.212 16.520 10.832 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.250 14.770 11.155 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.718 15.667 11.289 1.00 0.00 H new ATOM 513 N VAL A 38 -12.889 12.329 10.772 1.00 0.00 N ATOM 514 CA VAL A 38 -13.515 11.178 11.494 1.00 0.00 C ATOM 515 C VAL A 38 -15.005 11.533 11.847 1.00 0.00 C ATOM 516 O VAL A 38 -15.280 12.576 12.448 1.00 0.00 O ATOM 517 CB VAL A 38 -12.657 10.754 12.737 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.233 9.505 13.439 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.176 10.418 12.427 1.00 0.00 C ATOM 0 H VAL A 38 -12.183 12.821 11.320 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.536 10.301 10.847 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.699 11.641 13.369 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.608 9.247 14.294 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.246 9.715 13.781 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.252 8.670 12.738 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.666 10.137 13.348 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.131 9.590 11.720 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.688 11.291 11.994 1.00 0.00 H new ATOM 529 N ALA A 39 -15.957 10.698 11.382 1.00 0.00 N ATOM 530 CA ALA A 39 -17.391 11.090 11.205 1.00 0.00 C ATOM 531 C ALA A 39 -17.733 12.132 10.072 1.00 0.00 C ATOM 532 O ALA A 39 -18.786 12.777 10.104 1.00 0.00 O ATOM 533 CB ALA A 39 -18.085 11.376 12.555 1.00 0.00 C ATOM 0 H ALA A 39 -15.765 9.732 11.116 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.840 10.191 10.784 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.123 11.657 12.378 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.052 10.482 13.178 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.570 12.191 13.063 1.00 0.00 H new ATOM 539 N GLY A 40 -16.910 12.242 9.011 1.00 0.00 N ATOM 540 CA GLY A 40 -17.063 13.282 7.957 1.00 0.00 C ATOM 541 C GLY A 40 -17.925 12.912 6.732 1.00 0.00 C ATOM 542 O GLY A 40 -17.512 13.125 5.591 1.00 0.00 O ATOM 0 H GLY A 40 -16.119 11.617 8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.492 14.172 8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.069 13.555 7.603 1.00 0.00 H new ATOM 546 N VAL A 41 -19.141 12.417 6.987 1.00 0.00 N ATOM 547 CA VAL A 41 -20.234 12.359 5.966 1.00 0.00 C ATOM 548 C VAL A 41 -21.513 12.951 6.641 1.00 0.00 C ATOM 549 O VAL A 41 -22.160 12.290 7.461 1.00 0.00 O ATOM 550 CB VAL A 41 -20.450 10.926 5.353 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.656 10.836 4.385 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.219 10.417 4.567 1.00 0.00 C ATOM 0 H VAL A 41 -19.411 12.043 7.897 1.00 0.00 H new ATOM 0 HA VAL A 41 -19.962 12.953 5.093 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.633 10.307 6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.741 9.819 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.570 11.102 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.507 11.524 3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.427 9.424 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -19.004 11.101 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.357 10.367 5.233 1.00 0.00 H new ATOM 562 N ASP A 42 -21.913 14.180 6.254 1.00 0.00 N ATOM 563 CA ASP A 42 -23.244 14.744 6.637 1.00 0.00 C ATOM 564 C ASP A 42 -24.358 14.086 5.758 1.00 0.00 C ATOM 565 O ASP A 42 -24.517 14.409 4.578 1.00 0.00 O ATOM 566 CB ASP A 42 -23.205 16.292 6.506 1.00 0.00 C ATOM 567 CG ASP A 42 -22.421 17.073 7.569 1.00 0.00 C ATOM 568 OD1 ASP A 42 -21.257 16.455 7.924 1.00 0.00 O ATOM 569 OD2 ASP A 42 -22.805 18.143 8.030 1.00 0.00 O ATOM 0 H ASP A 42 -21.345 14.804 5.681 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.478 14.515 7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -22.785 16.537 5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.232 16.656 6.511 1.00 0.00 H new ATOM 574 N GLY A 43 -25.043 13.082 6.326 1.00 0.00 N ATOM 575 CA GLY A 43 -25.760 12.055 5.519 1.00 0.00 C ATOM 576 C GLY A 43 -25.779 10.612 6.081 1.00 0.00 C ATOM 577 O GLY A 43 -26.740 9.893 5.801 1.00 0.00 O ATOM 0 H GLY A 43 -25.122 12.950 7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -26.792 12.383 5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.309 12.027 4.527 1.00 0.00 H new ATOM 581 N PHE A 44 -24.735 10.160 6.805 1.00 0.00 N ATOM 582 CA PHE A 44 -24.753 8.871 7.552 1.00 0.00 C ATOM 583 C PHE A 44 -24.913 9.117 9.094 1.00 0.00 C ATOM 584 O PHE A 44 -24.286 10.011 9.674 1.00 0.00 O ATOM 585 CB PHE A 44 -23.453 8.087 7.197 1.00 0.00 C ATOM 586 CG PHE A 44 -23.356 6.685 7.831 1.00 0.00 C ATOM 587 CD1 PHE A 44 -24.135 5.623 7.359 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.585 6.502 8.983 1.00 0.00 C ATOM 589 CE1 PHE A 44 -24.150 4.407 8.035 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.606 5.290 9.664 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.387 4.241 9.188 1.00 0.00 C ATOM 0 H PHE A 44 -23.856 10.670 6.893 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.614 8.270 7.259 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.389 7.987 6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.592 8.675 7.514 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.728 5.748 6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -21.967 7.310 9.347 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.754 3.591 7.665 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.017 5.163 10.561 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.401 3.297 9.713 1.00 0.00 H new ATOM 601 N ASN A 45 -25.706 8.259 9.766 1.00 0.00 N ATOM 602 CA ASN A 45 -25.825 8.265 11.250 1.00 0.00 C ATOM 603 C ASN A 45 -24.650 7.479 11.929 1.00 0.00 C ATOM 604 O ASN A 45 -24.708 6.258 12.104 1.00 0.00 O ATOM 605 CB ASN A 45 -27.235 7.711 11.597 1.00 0.00 C ATOM 606 CG ASN A 45 -27.629 7.848 13.073 1.00 0.00 C ATOM 607 OD1 ASN A 45 -27.507 8.902 13.687 1.00 0.00 O ATOM 608 ND2 ASN A 45 -28.134 6.807 13.686 1.00 0.00 N ATOM 0 H ASN A 45 -26.278 7.549 9.309 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.733 9.275 11.649 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -27.975 8.230 10.987 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.275 6.658 11.320 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -28.420 6.879 14.662 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -28.241 5.924 13.187 1.00 0.00 H new ATOM 615 N TYR A 46 -23.593 8.205 12.323 1.00 0.00 N ATOM 616 CA TYR A 46 -22.408 7.626 13.013 1.00 0.00 C ATOM 617 C TYR A 46 -22.644 7.313 14.531 1.00 0.00 C ATOM 618 O TYR A 46 -23.523 7.891 15.180 1.00 0.00 O ATOM 619 CB TYR A 46 -21.218 8.618 12.832 1.00 0.00 C ATOM 620 CG TYR A 46 -20.610 8.712 11.423 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.638 7.793 11.015 1.00 0.00 C ATOM 622 CD2 TYR A 46 -20.997 9.731 10.547 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.051 7.900 9.759 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.414 9.833 9.287 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.432 8.925 8.897 1.00 0.00 C ATOM 626 OH TYR A 46 -18.789 9.087 7.700 1.00 0.00 O ATOM 0 H TYR A 46 -23.526 9.212 12.177 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.193 6.659 12.558 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.555 9.612 13.125 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.428 8.332 13.526 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.341 6.995 11.680 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.752 10.442 10.849 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.299 7.188 9.452 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.723 10.617 8.611 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.092 8.404 7.608 1.00 0.00 H new ATOM 636 N SER A 47 -21.810 6.431 15.121 1.00 0.00 N ATOM 637 CA SER A 47 -21.776 6.241 16.603 1.00 0.00 C ATOM 638 C SER A 47 -21.122 7.447 17.355 1.00 0.00 C ATOM 639 O SER A 47 -20.169 8.064 16.867 1.00 0.00 O ATOM 640 CB SER A 47 -21.132 4.878 16.984 1.00 0.00 C ATOM 641 OG SER A 47 -19.700 4.885 16.977 1.00 0.00 O ATOM 0 H SER A 47 -21.155 5.841 14.608 1.00 0.00 H new ATOM 0 HA SER A 47 -22.811 6.214 16.943 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.478 4.590 17.977 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.484 4.115 16.290 1.00 0.00 H new ATOM 0 HG SER A 47 -19.367 4.369 17.741 1.00 0.00 H new ATOM 647 N ASP A 48 -21.618 7.767 18.566 1.00 0.00 N ATOM 648 CA ASP A 48 -21.053 8.865 19.413 1.00 0.00 C ATOM 649 C ASP A 48 -19.499 8.835 19.678 1.00 0.00 C ATOM 650 O ASP A 48 -18.901 9.902 19.518 1.00 0.00 O ATOM 651 CB ASP A 48 -21.881 9.020 20.716 1.00 0.00 C ATOM 652 CG ASP A 48 -23.289 9.578 20.504 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.315 10.939 20.523 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.278 8.878 20.318 1.00 0.00 O ATOM 0 H ASP A 48 -22.411 7.286 18.991 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.156 9.763 18.804 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.958 8.047 21.202 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.342 9.676 21.399 1.00 0.00 H new ATOM 659 N PRO A 49 -18.786 7.709 19.986 1.00 0.00 N ATOM 660 CA PRO A 49 -17.294 7.659 19.954 1.00 0.00 C ATOM 661 C PRO A 49 -16.550 7.977 18.620 1.00 0.00 C ATOM 662 O PRO A 49 -15.446 8.521 18.666 1.00 0.00 O ATOM 663 CB PRO A 49 -16.989 6.235 20.454 1.00 0.00 C ATOM 664 CG PRO A 49 -18.262 5.762 21.155 1.00 0.00 C ATOM 665 CD PRO A 49 -19.396 6.433 20.395 1.00 0.00 C ATOM 0 HA PRO A 49 -16.908 8.478 20.560 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.730 5.576 19.625 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.141 6.234 21.139 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.352 4.676 21.122 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.265 6.050 22.206 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.717 5.842 19.537 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.273 6.584 21.024 1.00 0.00 H new ATOM 673 N MET A 50 -17.140 7.666 17.450 1.00 0.00 N ATOM 674 CA MET A 50 -16.685 8.226 16.143 1.00 0.00 C ATOM 675 C MET A 50 -16.938 9.765 15.971 1.00 0.00 C ATOM 676 O MET A 50 -16.044 10.479 15.511 1.00 0.00 O ATOM 677 CB MET A 50 -17.342 7.364 15.032 1.00 0.00 C ATOM 678 CG MET A 50 -16.763 7.551 13.616 1.00 0.00 C ATOM 679 SD MET A 50 -15.100 6.870 13.494 1.00 0.00 S ATOM 680 CE MET A 50 -15.446 5.193 12.940 1.00 0.00 C ATOM 0 H MET A 50 -17.934 7.030 17.373 1.00 0.00 H new ATOM 0 HA MET A 50 -15.598 8.165 16.082 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.248 6.314 15.308 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.408 7.591 15.003 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.412 7.064 12.888 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.743 8.612 13.366 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.538 4.593 13.007 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.219 4.754 13.571 1.00 0.00 H new ATOM 0 HE3 MET A 50 -15.791 5.215 11.906 1.00 0.00 H new ATOM 690 N LYS A 51 -18.121 10.278 16.362 1.00 0.00 N ATOM 691 CA LYS A 51 -18.423 11.743 16.362 1.00 0.00 C ATOM 692 C LYS A 51 -17.558 12.589 17.357 1.00 0.00 C ATOM 693 O LYS A 51 -17.004 13.615 16.954 1.00 0.00 O ATOM 694 CB LYS A 51 -19.948 11.969 16.571 1.00 0.00 C ATOM 695 CG LYS A 51 -20.859 11.417 15.445 1.00 0.00 C ATOM 696 CD LYS A 51 -22.368 11.690 15.610 1.00 0.00 C ATOM 697 CE LYS A 51 -23.026 10.915 16.764 1.00 0.00 C ATOM 698 NZ LYS A 51 -24.495 11.035 16.701 1.00 0.00 N ATOM 0 H LYS A 51 -18.897 9.701 16.687 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.134 12.118 15.380 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.242 11.506 17.513 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.130 13.039 16.671 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.533 11.845 14.497 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.709 10.340 15.377 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.517 12.757 15.772 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.876 11.435 14.680 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.739 9.865 16.713 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.665 11.298 17.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.921 10.505 17.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.765 12.037 16.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.837 10.648 15.798 1.00 0.00 H new ATOM 711 N ALA A 52 -17.397 12.151 18.620 1.00 0.00 N ATOM 712 CA ALA A 52 -16.435 12.761 19.578 1.00 0.00 C ATOM 713 C ALA A 52 -14.956 12.221 19.545 1.00 0.00 C ATOM 714 O ALA A 52 -14.252 12.317 20.554 1.00 0.00 O ATOM 715 CB ALA A 52 -17.112 12.583 20.954 1.00 0.00 C ATOM 0 H ALA A 52 -17.923 11.369 19.010 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.260 13.802 19.306 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.474 13.005 21.731 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -18.073 13.096 20.956 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.267 11.522 21.149 1.00 0.00 H new ATOM 721 N HIS A 53 -14.444 11.726 18.397 1.00 0.00 N ATOM 722 CA HIS A 53 -13.029 11.267 18.269 1.00 0.00 C ATOM 723 C HIS A 53 -11.994 12.437 18.127 1.00 0.00 C ATOM 724 O HIS A 53 -11.082 12.540 18.951 1.00 0.00 O ATOM 725 CB HIS A 53 -12.966 10.227 17.114 1.00 0.00 C ATOM 726 CG HIS A 53 -11.698 9.375 17.086 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.625 9.614 16.237 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.472 8.226 17.863 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.825 8.558 16.593 1.00 0.00 C ATOM 730 NE2 HIS A 53 -10.245 7.671 17.552 1.00 0.00 N ATOM 0 H HIS A 53 -14.986 11.631 17.538 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.721 10.788 19.199 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.829 9.566 17.192 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.053 10.754 16.164 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.159 7.833 18.598 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.864 8.425 16.118 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.785 6.842 17.927 1.00 0.00 H new ATOM 738 N GLY A 54 -12.120 13.291 17.091 1.00 0.00 N ATOM 739 CA GLY A 54 -11.157 14.395 16.835 1.00 0.00 C ATOM 740 C GLY A 54 -9.948 14.000 15.969 1.00 0.00 C ATOM 741 O GLY A 54 -8.888 13.644 16.487 1.00 0.00 O ATOM 0 H GLY A 54 -12.880 13.241 16.413 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.685 15.215 16.347 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.795 14.773 17.791 1.00 0.00 H new ATOM 745 N GLY A 55 -10.116 14.096 14.649 1.00 0.00 N ATOM 746 CA GLY A 55 -9.043 13.750 13.688 1.00 0.00 C ATOM 747 C GLY A 55 -9.464 13.710 12.203 1.00 0.00 C ATOM 748 O GLY A 55 -10.619 13.946 11.832 1.00 0.00 O ATOM 0 H GLY A 55 -10.982 14.410 14.211 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.234 14.473 13.798 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.638 12.775 13.959 1.00 0.00 H new ATOM 752 N ASP A 56 -8.490 13.366 11.350 1.00 0.00 N ATOM 753 CA ASP A 56 -8.718 13.112 9.896 1.00 0.00 C ATOM 754 C ASP A 56 -8.062 11.759 9.472 1.00 0.00 C ATOM 755 O ASP A 56 -7.054 11.320 10.042 1.00 0.00 O ATOM 756 CB ASP A 56 -8.185 14.288 9.031 1.00 0.00 C ATOM 757 CG ASP A 56 -8.853 15.652 9.252 1.00 0.00 C ATOM 758 OD1 ASP A 56 -10.008 15.921 8.928 1.00 0.00 O ATOM 759 OD2 ASP A 56 -8.018 16.539 9.858 1.00 0.00 O ATOM 0 H ASP A 56 -7.517 13.252 11.635 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.792 13.041 9.725 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.117 14.395 9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.297 14.018 7.981 1.00 0.00 H new ATOM 764 N TRP A 57 -8.626 11.092 8.448 1.00 0.00 N ATOM 765 CA TRP A 57 -8.211 9.714 8.059 1.00 0.00 C ATOM 766 C TRP A 57 -6.936 9.675 7.160 1.00 0.00 C ATOM 767 O TRP A 57 -6.978 9.415 5.955 1.00 0.00 O ATOM 768 CB TRP A 57 -9.431 8.967 7.447 1.00 0.00 C ATOM 769 CG TRP A 57 -10.461 8.425 8.449 1.00 0.00 C ATOM 770 CD1 TRP A 57 -11.823 8.786 8.490 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.282 7.529 9.497 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.502 8.125 9.530 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.529 7.366 10.148 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.118 6.899 10.016 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.618 6.611 11.339 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.228 6.166 11.196 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.456 6.038 11.856 1.00 0.00 C ATOM 0 H TRP A 57 -9.372 11.478 7.869 1.00 0.00 H new ATOM 0 HA TRP A 57 -7.900 9.182 8.958 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.941 9.645 6.763 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.060 8.133 6.851 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.287 9.483 7.808 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.490 8.192 9.773 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.170 6.987 9.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.566 6.480 11.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.351 5.689 11.608 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.505 5.485 12.783 1.00 0.00 H new ATOM 788 N THR A 58 -5.782 9.888 7.799 1.00 0.00 N ATOM 789 CA THR A 58 -4.436 9.760 7.170 1.00 0.00 C ATOM 790 C THR A 58 -4.013 8.266 6.903 1.00 0.00 C ATOM 791 O THR A 58 -4.566 7.369 7.553 1.00 0.00 O ATOM 792 CB THR A 58 -3.394 10.492 8.085 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.377 9.953 9.403 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.598 12.013 8.209 1.00 0.00 C ATOM 0 H THR A 58 -5.741 10.159 8.782 1.00 0.00 H new ATOM 0 HA THR A 58 -4.472 10.226 6.185 1.00 0.00 H new ATOM 0 HB THR A 58 -2.446 10.320 7.575 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.715 10.432 9.944 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.831 12.431 8.861 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.526 12.471 7.223 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.582 12.215 8.631 1.00 0.00 H new ATOM 802 N PRO A 59 -3.024 7.924 6.017 1.00 0.00 N ATOM 803 CA PRO A 59 -2.484 6.530 5.900 1.00 0.00 C ATOM 804 C PRO A 59 -2.068 5.802 7.223 1.00 0.00 C ATOM 805 O PRO A 59 -2.521 4.687 7.486 1.00 0.00 O ATOM 806 CB PRO A 59 -1.326 6.701 4.892 1.00 0.00 C ATOM 807 CG PRO A 59 -1.003 8.195 4.848 1.00 0.00 C ATOM 808 CD PRO A 59 -2.338 8.882 5.124 1.00 0.00 C ATOM 0 HA PRO A 59 -3.266 5.843 5.577 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.454 6.125 5.202 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.614 6.338 3.906 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.257 8.462 5.596 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.600 8.486 3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.202 9.853 5.601 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.901 9.054 4.207 1.00 0.00 H new ATOM 816 N GLU A 60 -1.277 6.485 8.066 1.00 0.00 N ATOM 817 CA GLU A 60 -0.997 6.078 9.475 1.00 0.00 C ATOM 818 C GLU A 60 -2.246 5.804 10.393 1.00 0.00 C ATOM 819 O GLU A 60 -2.282 4.767 11.066 1.00 0.00 O ATOM 820 CB GLU A 60 -0.022 7.142 10.054 1.00 0.00 C ATOM 821 CG GLU A 60 0.578 6.807 11.443 1.00 0.00 C ATOM 822 CD GLU A 60 1.580 7.847 11.937 1.00 0.00 C ATOM 823 OE1 GLU A 60 1.264 8.868 12.539 1.00 0.00 O ATOM 824 OE2 GLU A 60 2.865 7.515 11.633 1.00 0.00 O ATOM 0 H GLU A 60 -0.803 7.347 7.797 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.548 5.085 9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.796 7.283 9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.549 8.093 10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.231 6.719 12.168 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.069 5.835 11.394 1.00 0.00 H new ATOM 831 N ALA A 61 -3.255 6.697 10.431 1.00 0.00 N ATOM 832 CA ALA A 61 -4.548 6.431 11.124 1.00 0.00 C ATOM 833 C ALA A 61 -5.432 5.294 10.509 1.00 0.00 C ATOM 834 O ALA A 61 -5.896 4.422 11.250 1.00 0.00 O ATOM 835 CB ALA A 61 -5.300 7.772 11.221 1.00 0.00 C ATOM 0 H ALA A 61 -3.206 7.615 9.990 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.318 6.030 12.111 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.255 7.618 11.724 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.701 8.485 11.789 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.477 8.163 10.219 1.00 0.00 H new ATOM 841 N LEU A 62 -5.632 5.268 9.175 1.00 0.00 N ATOM 842 CA LEU A 62 -6.324 4.151 8.469 1.00 0.00 C ATOM 843 C LEU A 62 -5.662 2.746 8.620 1.00 0.00 C ATOM 844 O LEU A 62 -6.383 1.800 8.932 1.00 0.00 O ATOM 845 CB LEU A 62 -6.511 4.513 6.967 1.00 0.00 C ATOM 846 CG LEU A 62 -7.589 5.577 6.637 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.425 6.067 5.192 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.020 5.037 6.825 1.00 0.00 C ATOM 0 H LEU A 62 -5.323 6.014 8.552 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.289 4.049 8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.555 4.866 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.757 3.600 6.425 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.444 6.402 7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.188 6.814 4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.437 6.510 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.534 5.225 4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.739 5.819 6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.176 4.183 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.159 4.726 7.861 1.00 0.00 H new ATOM 860 N GLN A 63 -4.334 2.574 8.448 1.00 0.00 N ATOM 861 CA GLN A 63 -3.660 1.265 8.717 1.00 0.00 C ATOM 862 C GLN A 63 -3.733 0.723 10.191 1.00 0.00 C ATOM 863 O GLN A 63 -3.871 -0.487 10.395 1.00 0.00 O ATOM 864 CB GLN A 63 -2.233 1.268 8.105 1.00 0.00 C ATOM 865 CG GLN A 63 -1.123 2.019 8.886 1.00 0.00 C ATOM 866 CD GLN A 63 0.238 2.096 8.182 1.00 0.00 C ATOM 867 OE1 GLN A 63 0.452 1.640 7.063 1.00 0.00 O ATOM 868 NE2 GLN A 63 1.220 2.675 8.828 1.00 0.00 N ATOM 0 H GLN A 63 -3.705 3.310 8.128 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.258 0.513 8.202 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.917 0.232 7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.295 1.702 7.107 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.467 3.033 9.088 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.987 1.531 9.851 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.061 3.060 9.759 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.143 2.741 8.400 1.00 0.00 H new ATOM 877 N GLU A 64 -3.691 1.608 11.205 1.00 0.00 N ATOM 878 CA GLU A 64 -4.042 1.266 12.614 1.00 0.00 C ATOM 879 C GLU A 64 -5.548 0.877 12.820 1.00 0.00 C ATOM 880 O GLU A 64 -5.824 -0.210 13.337 1.00 0.00 O ATOM 881 CB GLU A 64 -3.603 2.451 13.519 1.00 0.00 C ATOM 882 CG GLU A 64 -2.074 2.700 13.601 1.00 0.00 C ATOM 883 CD GLU A 64 -1.711 3.975 14.356 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.787 5.083 13.561 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.391 3.991 15.541 1.00 0.00 O ATOM 0 H GLU A 64 -3.414 2.582 11.080 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.504 0.361 12.895 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.082 3.360 13.155 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.979 2.274 14.527 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.600 1.849 14.090 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.667 2.755 12.591 1.00 0.00 H new ATOM 892 N PHE A 65 -6.514 1.716 12.382 1.00 0.00 N ATOM 893 CA PHE A 65 -7.965 1.372 12.385 1.00 0.00 C ATOM 894 C PHE A 65 -8.368 0.106 11.557 1.00 0.00 C ATOM 895 O PHE A 65 -9.163 -0.696 12.035 1.00 0.00 O ATOM 896 CB PHE A 65 -8.705 2.662 11.937 1.00 0.00 C ATOM 897 CG PHE A 65 -10.244 2.582 11.916 1.00 0.00 C ATOM 898 CD1 PHE A 65 -10.988 2.719 13.093 1.00 0.00 C ATOM 899 CD2 PHE A 65 -10.909 2.348 10.708 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.378 2.620 13.061 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.296 2.243 10.683 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.031 2.380 11.855 1.00 0.00 C ATOM 0 H PHE A 65 -6.317 2.648 12.017 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.258 1.063 13.388 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.412 3.475 12.601 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.361 2.927 10.937 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.483 2.902 14.030 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.345 2.249 9.793 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.948 2.729 13.972 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -12.804 2.054 9.749 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.108 2.300 11.830 1.00 0.00 H new ATOM 912 N LEU A 66 -7.838 -0.106 10.347 1.00 0.00 N ATOM 913 CA LEU A 66 -8.055 -1.372 9.588 1.00 0.00 C ATOM 914 C LEU A 66 -7.245 -2.618 10.092 1.00 0.00 C ATOM 915 O LEU A 66 -7.602 -3.738 9.727 1.00 0.00 O ATOM 916 CB LEU A 66 -7.836 -1.085 8.076 1.00 0.00 C ATOM 917 CG LEU A 66 -8.731 0.008 7.423 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.298 0.258 5.971 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.228 -0.335 7.482 1.00 0.00 C ATOM 0 H LEU A 66 -7.254 0.574 9.861 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.085 -1.679 9.771 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.794 -0.798 7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.987 -2.016 7.530 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.591 0.919 8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.934 1.025 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.261 0.592 5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.392 -0.665 5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.803 0.463 7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.408 -1.271 6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.537 -0.440 8.522 1.00 0.00 H new ATOM 931 N THR A 67 -6.224 -2.464 10.962 1.00 0.00 N ATOM 932 CA THR A 67 -5.692 -3.580 11.806 1.00 0.00 C ATOM 933 C THR A 67 -6.689 -3.996 12.948 1.00 0.00 C ATOM 934 O THR A 67 -7.029 -5.178 13.033 1.00 0.00 O ATOM 935 CB THR A 67 -4.265 -3.237 12.341 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.400 -2.815 11.291 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.546 -4.428 12.996 1.00 0.00 C ATOM 0 H THR A 67 -5.743 -1.576 11.106 1.00 0.00 H new ATOM 0 HA THR A 67 -5.596 -4.461 11.171 1.00 0.00 H new ATOM 0 HB THR A 67 -4.446 -2.453 13.076 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.753 -1.995 10.886 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.562 -4.113 13.343 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.132 -4.786 13.843 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.434 -5.231 12.267 1.00 0.00 H new ATOM 945 N ASN A 68 -7.154 -3.066 13.812 1.00 0.00 N ATOM 946 CA ASN A 68 -8.253 -3.339 14.785 1.00 0.00 C ATOM 947 C ASN A 68 -9.160 -2.060 14.910 1.00 0.00 C ATOM 948 O ASN A 68 -8.729 -1.101 15.568 1.00 0.00 O ATOM 949 CB ASN A 68 -7.656 -3.813 16.140 1.00 0.00 C ATOM 950 CG ASN A 68 -8.681 -4.293 17.184 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.783 -3.773 17.334 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.343 -5.280 17.977 1.00 0.00 N ATOM 0 H ASN A 68 -6.788 -2.115 13.861 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.891 -4.150 14.434 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.955 -4.625 15.944 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.081 -2.993 16.571 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.990 -5.599 18.698 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.433 -5.729 17.873 1.00 0.00 H new ATOM 959 N PRO A 69 -10.411 -1.990 14.355 1.00 0.00 N ATOM 960 CA PRO A 69 -11.245 -0.757 14.443 1.00 0.00 C ATOM 961 C PRO A 69 -11.874 -0.413 15.829 1.00 0.00 C ATOM 962 O PRO A 69 -11.984 0.770 16.164 1.00 0.00 O ATOM 963 CB PRO A 69 -12.246 -0.916 13.283 1.00 0.00 C ATOM 964 CG PRO A 69 -12.235 -2.384 12.864 1.00 0.00 C ATOM 965 CD PRO A 69 -10.944 -2.995 13.413 1.00 0.00 C ATOM 0 HA PRO A 69 -10.625 0.134 14.347 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.246 -0.614 13.595 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.967 -0.276 12.446 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.107 -2.905 13.260 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.274 -2.476 11.779 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.139 -3.942 13.916 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.234 -3.200 12.612 1.00 0.00 H new ATOM 973 N LYS A 70 -12.231 -1.424 16.641 1.00 0.00 N ATOM 974 CA LYS A 70 -12.639 -1.234 18.065 1.00 0.00 C ATOM 975 C LYS A 70 -11.533 -0.725 19.050 1.00 0.00 C ATOM 976 O LYS A 70 -11.847 0.008 19.990 1.00 0.00 O ATOM 977 CB LYS A 70 -13.307 -2.530 18.610 1.00 0.00 C ATOM 978 CG LYS A 70 -14.610 -3.019 17.924 1.00 0.00 C ATOM 979 CD LYS A 70 -14.385 -4.053 16.799 1.00 0.00 C ATOM 980 CE LYS A 70 -15.707 -4.568 16.212 1.00 0.00 C ATOM 981 NZ LYS A 70 -15.445 -5.631 15.224 1.00 0.00 N ATOM 0 H LYS A 70 -12.248 -2.398 16.339 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.353 -0.411 18.032 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.575 -3.335 18.549 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.523 -2.376 19.667 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.262 -3.457 18.679 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.135 -2.158 17.511 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.789 -3.601 16.006 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.811 -4.893 17.190 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.343 -4.952 17.010 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.248 -3.748 15.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.330 -5.877 14.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.748 -5.295 14.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.072 -6.472 15.709 1.00 0.00 H new ATOM 994 N ALA A 71 -10.259 -1.091 18.841 1.00 0.00 N ATOM 995 CA ALA A 71 -9.108 -0.490 19.570 1.00 0.00 C ATOM 996 C ALA A 71 -8.827 1.025 19.282 1.00 0.00 C ATOM 997 O ALA A 71 -8.615 1.786 20.229 1.00 0.00 O ATOM 998 CB ALA A 71 -7.881 -1.376 19.287 1.00 0.00 C ATOM 0 H ALA A 71 -9.988 -1.807 18.167 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.359 -0.474 20.630 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.012 -0.970 19.804 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.074 -2.389 19.641 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.687 -1.398 18.215 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.835 1.470 18.008 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.679 2.918 17.648 1.00 0.00 C ATOM 1006 C VAL A 72 -9.962 3.773 17.948 1.00 0.00 C ATOM 1007 O VAL A 72 -9.832 4.842 18.553 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.121 3.065 16.187 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -8.037 4.525 15.672 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.705 2.462 16.026 1.00 0.00 C ATOM 0 H VAL A 72 -8.947 0.856 17.202 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.929 3.352 18.310 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.855 2.517 15.596 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.641 4.530 14.656 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.032 4.970 15.676 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.379 5.102 16.321 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.369 2.592 14.997 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.015 2.970 16.700 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.732 1.399 16.268 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.169 3.349 17.523 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.443 4.052 17.864 1.00 0.00 C ATOM 1022 C VAL A 73 -13.221 3.132 18.864 1.00 0.00 C ATOM 1023 O VAL A 73 -13.893 2.174 18.462 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.252 4.427 16.575 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.564 5.178 16.900 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.482 5.305 15.557 1.00 0.00 C ATOM 0 H VAL A 73 -11.299 2.522 16.941 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.255 5.011 18.347 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.449 3.454 16.126 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.087 5.415 15.973 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.199 4.549 17.524 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.333 6.101 17.432 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.121 5.513 14.699 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.194 6.243 16.031 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.588 4.777 15.224 1.00 0.00 H new ATOM 1036 N LYS A 74 -13.131 3.434 20.174 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.709 2.573 21.245 1.00 0.00 C ATOM 1038 C LYS A 74 -15.260 2.740 21.362 1.00 0.00 C ATOM 1039 O LYS A 74 -15.766 3.726 21.903 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.931 2.876 22.553 1.00 0.00 C ATOM 1041 CG LYS A 74 -13.217 1.892 23.715 1.00 0.00 C ATOM 1042 CD LYS A 74 -12.387 2.154 24.989 1.00 0.00 C ATOM 1043 CE LYS A 74 -12.812 3.410 25.771 1.00 0.00 C ATOM 1044 NZ LYS A 74 -12.003 3.537 27.000 1.00 0.00 N ATOM 0 H LYS A 74 -12.663 4.270 20.525 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.586 1.517 21.006 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.863 2.862 22.337 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.176 3.886 22.881 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.276 1.945 23.968 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.022 0.876 23.371 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.466 1.287 25.645 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.337 2.250 24.712 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.685 4.296 25.149 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.870 3.349 26.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.296 4.387 27.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.145 2.698 27.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.997 3.616 26.747 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.999 1.766 20.809 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.451 1.923 20.507 1.00 0.00 C ATOM 1059 C GLY A 75 -17.821 2.453 19.093 1.00 0.00 C ATOM 1060 O GLY A 75 -18.762 3.239 18.926 1.00 0.00 O ATOM 0 H GLY A 75 -15.622 0.852 20.557 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.933 0.955 20.643 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.880 2.599 21.246 1.00 0.00 H new ATOM 1064 N THR A 76 -17.134 1.946 18.059 1.00 0.00 N ATOM 1065 CA THR A 76 -17.590 2.045 16.647 1.00 0.00 C ATOM 1066 C THR A 76 -18.703 0.995 16.324 1.00 0.00 C ATOM 1067 O THR A 76 -18.568 -0.189 16.649 1.00 0.00 O ATOM 1068 CB THR A 76 -16.366 1.941 15.681 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.782 2.144 14.338 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.558 0.630 15.672 1.00 0.00 C ATOM 0 H THR A 76 -16.247 1.455 18.168 1.00 0.00 H new ATOM 0 HA THR A 76 -18.049 3.022 16.495 1.00 0.00 H new ATOM 0 HB THR A 76 -15.705 2.710 16.080 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.007 2.078 13.742 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.743 0.710 14.953 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.149 0.448 16.666 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.210 -0.197 15.391 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.763 1.401 15.600 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.691 0.424 14.939 1.00 0.00 C ATOM 1080 C LYS A 77 -20.142 -0.372 13.691 1.00 0.00 C ATOM 1081 O LYS A 77 -20.892 -1.149 13.094 1.00 0.00 O ATOM 1082 CB LYS A 77 -22.066 1.108 14.678 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.100 2.259 13.642 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.499 2.781 13.261 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.228 3.509 14.401 1.00 0.00 C ATOM 1086 NZ LYS A 77 -25.469 4.128 13.899 1.00 0.00 N ATOM 0 H LYS A 77 -20.008 2.380 15.451 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.807 -0.388 15.657 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.769 0.341 14.353 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.435 1.497 15.627 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.517 3.092 14.034 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.600 1.920 12.735 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -23.404 3.459 12.413 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -24.111 1.942 12.930 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -24.461 2.806 15.201 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.579 4.273 14.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -26.012 4.515 14.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -25.232 4.895 13.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -26.040 3.411 13.407 1.00 0.00 H new ATOM 1099 N MET A 78 -18.850 -0.236 13.318 1.00 0.00 N ATOM 1100 CA MET A 78 -18.217 -1.043 12.246 1.00 0.00 C ATOM 1101 C MET A 78 -17.922 -2.503 12.719 1.00 0.00 C ATOM 1102 O MET A 78 -16.970 -2.751 13.467 1.00 0.00 O ATOM 1103 CB MET A 78 -16.954 -0.286 11.740 1.00 0.00 C ATOM 1104 CG MET A 78 -16.202 -1.035 10.622 1.00 0.00 C ATOM 1105 SD MET A 78 -15.438 0.074 9.374 1.00 0.00 S ATOM 1106 CE MET A 78 -13.779 -0.699 9.442 1.00 0.00 C ATOM 0 H MET A 78 -18.215 0.435 13.750 1.00 0.00 H new ATOM 0 HA MET A 78 -18.904 -1.158 11.407 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.250 0.697 11.374 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.276 -0.123 12.578 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.424 -1.653 11.071 1.00 0.00 H new ATOM 0 HG3 MET A 78 -16.895 -1.710 10.119 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.110 -0.187 8.750 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.383 -0.621 10.454 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.855 -1.750 9.162 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.713 -3.471 12.220 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.475 -4.915 12.480 1.00 0.00 C ATOM 1118 C ALA A 79 -17.420 -5.529 11.499 1.00 0.00 C ATOM 1119 O ALA A 79 -17.737 -6.237 10.538 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.854 -5.603 12.457 1.00 0.00 C ATOM 0 H ALA A 79 -19.526 -3.285 11.632 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.019 -5.074 13.457 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.732 -6.670 12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.490 -5.170 13.229 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.318 -5.456 11.481 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.142 -5.231 11.778 1.00 0.00 N ATOM 1127 CA PHE A 80 -14.980 -5.736 11.010 1.00 0.00 C ATOM 1128 C PHE A 80 -13.845 -6.102 12.022 1.00 0.00 C ATOM 1129 O PHE A 80 -13.527 -5.336 12.939 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.565 -4.659 9.963 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.456 -5.109 8.998 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.744 -6.013 7.970 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.133 -4.702 9.203 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.717 -6.536 7.187 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.109 -5.218 8.413 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.400 -6.148 7.417 1.00 0.00 C ATOM 0 H PHE A 80 -15.877 -4.624 12.554 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.216 -6.641 10.450 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.443 -4.376 9.382 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.231 -3.766 10.491 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.766 -6.307 7.783 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.905 -3.984 9.977 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.943 -7.242 6.402 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.090 -4.898 8.572 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.602 -6.569 6.822 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.226 -7.280 11.850 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.126 -7.746 12.737 1.00 0.00 C ATOM 1148 C ALA A 81 -10.738 -7.093 12.439 1.00 0.00 C ATOM 1149 O ALA A 81 -10.200 -6.401 13.308 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.127 -9.288 12.692 1.00 0.00 C ATOM 0 H ALA A 81 -13.463 -7.936 11.105 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.311 -7.410 13.757 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.332 -9.671 13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.088 -9.662 13.045 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.961 -9.622 11.668 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.162 -7.305 11.241 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.818 -6.769 10.913 1.00 0.00 C ATOM 1158 C GLY A 82 -8.203 -7.269 9.589 1.00 0.00 C ATOM 1159 O GLY A 82 -8.363 -8.427 9.197 1.00 0.00 O ATOM 0 H GLY A 82 -10.597 -7.838 10.488 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.880 -5.681 10.876 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.138 -7.022 11.726 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.421 -6.394 8.946 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.518 -6.766 7.824 1.00 0.00 C ATOM 1165 C LEU A 83 -5.070 -7.012 8.390 1.00 0.00 C ATOM 1166 O LEU A 83 -4.384 -6.020 8.673 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.504 -5.632 6.755 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.789 -5.370 5.933 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.597 -4.134 5.040 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.196 -6.560 5.047 1.00 0.00 C ATOM 0 H LEU A 83 -7.389 -5.402 9.182 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.876 -7.679 7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.241 -4.703 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.700 -5.851 6.052 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.588 -5.210 6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.506 -3.956 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.386 -3.265 5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.763 -4.303 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.104 -6.311 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.394 -6.780 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.379 -7.434 5.673 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.540 -8.261 8.568 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.188 -8.481 9.168 1.00 0.00 C ATOM 1184 C PRO A 84 -1.930 -8.105 8.314 1.00 0.00 C ATOM 1185 O PRO A 84 -0.913 -7.704 8.889 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.250 -9.970 9.562 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.240 -10.605 8.584 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.289 -9.518 8.355 1.00 0.00 C ATOM 0 HA PRO A 84 -3.019 -7.789 9.993 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.268 -10.438 9.487 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.583 -10.091 10.593 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.752 -10.890 7.652 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.687 -11.508 8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.707 -9.570 7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.122 -9.611 9.052 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.991 -8.189 6.973 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.838 -7.907 6.080 1.00 0.00 C ATOM 1198 C LYS A 85 -0.708 -6.379 5.782 1.00 0.00 C ATOM 1199 O LYS A 85 -1.605 -5.758 5.198 1.00 0.00 O ATOM 1200 CB LYS A 85 -1.021 -8.710 4.761 1.00 0.00 C ATOM 1201 CG LYS A 85 -1.009 -10.256 4.883 1.00 0.00 C ATOM 1202 CD LYS A 85 -1.358 -10.993 3.573 1.00 0.00 C ATOM 1203 CE LYS A 85 -0.245 -10.957 2.514 1.00 0.00 C ATOM 1204 NZ LYS A 85 -0.697 -11.627 1.279 1.00 0.00 N ATOM 0 H LYS A 85 -2.839 -8.454 6.471 1.00 0.00 H new ATOM 0 HA LYS A 85 0.082 -8.215 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.966 -8.411 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.230 -8.416 4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.022 -10.576 5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.718 -10.555 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.590 -12.032 3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.261 -10.552 3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.028 -9.924 2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.649 -11.449 2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.063 -11.597 0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.936 -12.617 1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.537 -11.140 0.907 1.00 0.00 H new ATOM 1217 N ILE A 86 0.453 -5.798 6.128 1.00 0.00 N ATOM 1218 CA ILE A 86 0.838 -4.401 5.734 1.00 0.00 C ATOM 1219 C ILE A 86 0.726 -4.055 4.209 1.00 0.00 C ATOM 1220 O ILE A 86 0.148 -3.018 3.871 1.00 0.00 O ATOM 1221 CB ILE A 86 2.220 -4.014 6.366 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.623 -2.519 6.191 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.402 -4.896 5.882 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.710 -1.491 6.879 1.00 0.00 C ATOM 0 H ILE A 86 1.162 -6.270 6.689 1.00 0.00 H new ATOM 0 HA ILE A 86 0.069 -3.758 6.161 1.00 0.00 H new ATOM 0 HB ILE A 86 2.042 -4.199 7.425 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.636 -2.389 6.573 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.653 -2.293 5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.323 -4.567 6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.209 -5.937 6.141 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.505 -4.805 4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.087 -0.486 6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.698 -1.580 6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.697 -1.677 7.953 1.00 0.00 H new ATOM 1236 N GLU A 87 1.215 -4.932 3.307 1.00 0.00 N ATOM 1237 CA GLU A 87 0.939 -4.830 1.846 1.00 0.00 C ATOM 1238 C GLU A 87 -0.564 -4.683 1.435 1.00 0.00 C ATOM 1239 O GLU A 87 -0.883 -3.793 0.648 1.00 0.00 O ATOM 1240 CB GLU A 87 1.652 -5.961 1.052 1.00 0.00 C ATOM 1241 CG GLU A 87 1.260 -7.435 1.365 1.00 0.00 C ATOM 1242 CD GLU A 87 1.336 -8.373 0.160 1.00 0.00 C ATOM 1243 OE1 GLU A 87 2.397 -8.763 -0.318 1.00 0.00 O ATOM 1244 OE2 GLU A 87 0.100 -8.728 -0.313 1.00 0.00 O ATOM 0 H GLU A 87 1.806 -5.724 3.560 1.00 0.00 H new ATOM 0 HA GLU A 87 1.372 -3.871 1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.474 -5.787 -0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.725 -5.859 1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.915 -7.815 2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.245 -7.453 1.762 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.479 -5.497 1.993 1.00 0.00 N ATOM 1252 CA ASP A 88 -2.942 -5.397 1.713 1.00 0.00 C ATOM 1253 C ASP A 88 -3.617 -4.101 2.281 1.00 0.00 C ATOM 1254 O ASP A 88 -4.429 -3.493 1.580 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.648 -6.698 2.190 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.233 -8.013 1.499 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -2.148 -8.197 0.945 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -4.205 -8.967 1.600 1.00 0.00 O ATOM 0 H ASP A 88 -1.238 -6.241 2.648 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.062 -5.300 0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.471 -6.807 3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.722 -6.569 2.056 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.242 -3.644 3.496 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.563 -2.273 3.994 1.00 0.00 C ATOM 1265 C ARG A 89 -3.036 -1.104 3.087 1.00 0.00 C ATOM 1266 O ARG A 89 -3.839 -0.277 2.651 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.084 -2.112 5.468 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.646 -3.135 6.491 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.474 -2.762 7.977 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.046 -2.720 8.416 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.379 -3.721 8.993 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.871 -4.913 9.185 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.162 -3.503 9.392 1.00 0.00 N ATOM 0 H ARG A 89 -2.711 -4.206 4.162 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.648 -2.184 3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.996 -2.176 5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.349 -1.110 5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.709 -3.273 6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.161 -4.096 6.319 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.930 -1.788 8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.014 -3.484 8.590 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.537 -1.850 8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.823 -5.126 8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.304 -5.633 9.633 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.261 -2.584 9.261 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.371 -4.251 9.836 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.726 -1.054 2.762 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.164 -0.080 1.783 1.00 0.00 C ATOM 1289 C ALA A 90 -1.743 -0.124 0.326 1.00 0.00 C ATOM 1290 O ALA A 90 -2.059 0.933 -0.228 1.00 0.00 O ATOM 1291 CB ALA A 90 0.365 -0.267 1.821 1.00 0.00 C ATOM 0 H ALA A 90 -1.028 -1.680 3.164 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.471 0.920 2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.834 0.424 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.731 -0.066 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.613 -1.291 1.542 1.00 0.00 H new ATOM 1297 N ASN A 91 -1.927 -1.317 -0.279 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.702 -1.496 -1.547 1.00 0.00 C ATOM 1299 C ASN A 91 -4.165 -0.938 -1.514 1.00 0.00 C ATOM 1300 O ASN A 91 -4.548 -0.171 -2.404 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.694 -3.000 -1.953 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.357 -3.627 -2.371 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -0.374 -2.967 -2.681 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -1.278 -4.935 -2.413 1.00 0.00 N ATOM 0 H ASN A 91 -1.547 -2.189 0.090 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.194 -0.891 -2.298 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.084 -3.575 -1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.395 -3.127 -2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.409 -5.384 -2.700 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.086 -5.503 -2.158 1.00 0.00 H new ATOM 1311 N LEU A 92 -4.963 -1.278 -0.481 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.283 -0.636 -0.223 1.00 0.00 C ATOM 1313 C LEU A 92 -6.262 0.915 -0.030 1.00 0.00 C ATOM 1314 O LEU A 92 -7.079 1.601 -0.645 1.00 0.00 O ATOM 1315 CB LEU A 92 -6.933 -1.380 0.975 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.421 -1.057 1.268 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.352 -1.434 0.106 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.871 -1.813 2.522 1.00 0.00 C ATOM 0 H LEU A 92 -4.719 -1.999 0.198 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.884 -0.739 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -6.845 -2.452 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.353 -1.156 1.870 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.489 0.021 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.380 -1.185 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.061 -0.881 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.276 -2.504 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.917 -1.586 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.757 -2.885 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.259 -1.507 3.371 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.334 1.475 0.768 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.150 2.953 0.912 1.00 0.00 C ATOM 1332 C ILE A 93 -4.763 3.671 -0.438 1.00 0.00 C ATOM 1333 O ILE A 93 -5.374 4.696 -0.746 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.212 3.216 2.145 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -4.846 2.753 3.499 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.783 4.702 2.279 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -3.865 2.583 4.673 1.00 0.00 C ATOM 0 H ILE A 93 -4.686 0.928 1.335 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.102 3.436 1.134 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.327 2.613 1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.608 3.477 3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.355 1.803 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.137 4.817 3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.243 5.007 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.668 5.327 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.411 2.260 5.559 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.116 1.834 4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.373 3.534 4.876 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.846 3.129 -1.272 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.697 3.555 -2.697 1.00 0.00 C ATOM 1351 C ALA A 94 -4.984 3.505 -3.590 1.00 0.00 C ATOM 1352 O ALA A 94 -5.251 4.468 -4.316 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.551 2.731 -3.309 1.00 0.00 C ATOM 0 H ALA A 94 -3.195 2.396 -0.990 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.477 4.622 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.414 3.017 -4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.631 2.921 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.795 1.670 -3.253 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.802 2.433 -3.519 1.00 0.00 N ATOM 1360 CA TYR A 95 -7.170 2.419 -4.120 1.00 0.00 C ATOM 1361 C TYR A 95 -8.148 3.508 -3.555 1.00 0.00 C ATOM 1362 O TYR A 95 -8.760 4.229 -4.341 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.723 0.968 -4.028 1.00 0.00 C ATOM 1364 CG TYR A 95 -9.092 0.729 -4.685 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.234 0.814 -6.075 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.218 0.468 -3.895 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.488 0.668 -6.663 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.468 0.309 -4.488 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.603 0.415 -5.869 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.846 0.363 -6.439 1.00 0.00 O ATOM 0 H TYR A 95 -5.547 1.562 -3.053 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.089 2.711 -5.167 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.999 0.294 -4.486 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.793 0.693 -2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.367 0.994 -6.694 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.117 0.390 -2.823 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.595 0.751 -7.734 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.333 0.103 -3.876 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.121 1.265 -6.707 1.00 0.00 H new ATOM 1380 N LEU A 96 -8.266 3.661 -2.226 1.00 0.00 N ATOM 1381 CA LEU A 96 -9.022 4.781 -1.589 1.00 0.00 C ATOM 1382 C LEU A 96 -8.523 6.243 -1.900 1.00 0.00 C ATOM 1383 O LEU A 96 -9.349 7.156 -1.960 1.00 0.00 O ATOM 1384 CB LEU A 96 -9.095 4.494 -0.061 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.832 3.206 0.410 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.648 3.001 1.924 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -11.327 3.233 0.059 1.00 0.00 C ATOM 0 H LEU A 96 -7.845 3.020 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 96 -10.012 4.789 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.074 4.452 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.578 5.347 0.416 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.384 2.368 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.170 2.096 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.586 2.904 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.057 3.858 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.799 2.314 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.799 4.089 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.446 3.315 -1.021 1.00 0.00 H new ATOM 1399 N GLU A 97 -7.215 6.470 -2.142 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.700 7.703 -2.818 1.00 0.00 C ATOM 1401 C GLU A 97 -7.159 7.879 -4.309 1.00 0.00 C ATOM 1402 O GLU A 97 -7.625 8.963 -4.667 1.00 0.00 O ATOM 1403 CB GLU A 97 -5.146 7.729 -2.714 1.00 0.00 C ATOM 1404 CG GLU A 97 -4.565 7.948 -1.297 1.00 0.00 C ATOM 1405 CD GLU A 97 -3.046 7.834 -1.229 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -2.424 9.009 -1.524 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -2.449 6.802 -0.939 1.00 0.00 O ATOM 0 H GLU A 97 -6.480 5.813 -1.880 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.141 8.550 -2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.760 6.786 -3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.771 8.519 -3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.862 8.935 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.005 7.218 -0.617 1.00 0.00 H new ATOM 1414 N GLY A 98 -7.043 6.843 -5.170 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.621 6.865 -6.550 1.00 0.00 C ATOM 1416 C GLY A 98 -9.160 7.002 -6.711 1.00 0.00 C ATOM 1417 O GLY A 98 -9.626 7.708 -7.607 1.00 0.00 O ATOM 0 H GLY A 98 -6.556 5.977 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.157 7.691 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.317 5.946 -7.051 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.947 6.356 -5.839 1.00 0.00 N ATOM 1422 CA GLN A 99 -11.409 6.602 -5.693 1.00 0.00 C ATOM 1423 C GLN A 99 -11.651 7.873 -4.812 1.00 0.00 C ATOM 1424 O GLN A 99 -11.962 7.802 -3.619 1.00 0.00 O ATOM 1425 CB GLN A 99 -12.096 5.336 -5.099 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.871 3.952 -5.770 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.457 3.681 -7.159 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.265 2.775 -7.352 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -12.008 4.363 -8.183 1.00 0.00 N ATOM 0 H GLN A 99 -9.594 5.640 -5.205 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.854 6.793 -6.669 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.778 5.250 -4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -13.170 5.522 -5.089 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.795 3.791 -5.833 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.268 3.194 -5.095 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.337 5.118 -8.039 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.329 4.139 -9.125 1.00 0.00 H new