USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 TYR OH : rot -24:sc= -1.14 USER MOD Set 1.2: B 45 TYR OH : rot 150:sc= -0.289 USER MOD Set 1.3: B 50 LYS NZ :NH3+ -176:sc= -0.308 (180deg=-0.359) USER MOD Set 2.1: B 49 THR OG1 : rot -78:sc= 1.13 USER MOD Set 2.2: B 51 THR OG1 : rot 64:sc= 0.978 USER MOD Set 3.1: B 44 THR OG1 : rot 64:sc= 1.45! USER MOD Set 3.2: B 53 THR OG1 : rot 106:sc= 1.54! USER MOD Set 4.1: B 8 ASN :FLIP amide:sc= -3.27! C(o=-5.4!,f=-2.9!) USER MOD Set 4.2: B 13 LYS NZ :NH3+ 141:sc= 0.374 (180deg=0) USER MOD Set 5.1: A 49 THR OG1 : rot -77:sc= 1.13 USER MOD Set 5.2: A 51 THR OG1 : rot 63:sc= 0.972 USER MOD Set 6.1: A 45 TYR OH : rot 150:sc= -0.3 USER MOD Set 6.2: A 50 LYS NZ :NH3+ -177:sc= -0.302 (180deg=-0.386) USER MOD Set 6.3: B 3 TYR OH : rot -30:sc= -1.15 USER MOD Set 7.1: A 44 THR OG1 : rot 62:sc= 1.42! USER MOD Set 7.2: A 53 THR OG1 : rot 103:sc= 1.78! USER MOD Set 8.1: A 8 ASN :FLIP amide:sc= -3.22! C(o=-5.6!,f=-2.9!) USER MOD Set 8.2: A 13 LYS NZ :NH3+ 139:sc= 0.351 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.03! X(o=-1!,f=-0.61) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -0.0127 (180deg=-0.208) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -140:sc= -2.03 USER MOD Single : A 16 THR OG1 : rot 150:sc= -5.32! USER MOD Single : A 17 THR OG1 : rot -14:sc= 0.886 USER MOD Single : A 18 THR OG1 : rot 36:sc= 0.639 USER MOD Single : A 25 THR OG1 : rot -30:sc= -0.805! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -2.28 (180deg=-3.86!) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.63 F(o=-3.1,f=-1.6) USER MOD Single : A 35 ASN : amide:sc= -4.17! C(o=-4.2!,f=-4.5!) USER MOD Single : A 37 ASN : amide:sc= -6.29! C(o=-6.3!,f=-7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -166:sc= 0 (180deg=-0.0396) USER MOD Single : B 1 MET N :NH3+ -111:sc= 0.0376 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= -1.02 X(o=-1,f=-0.61) USER MOD Single : B 4 LYS NZ :NH3+ 167:sc= -0.015 (180deg=-0.216) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot -140:sc= -2.09 USER MOD Single : B 16 THR OG1 : rot 150:sc= -5.28! USER MOD Single : B 17 THR OG1 : rot -23:sc= 0.879 USER MOD Single : B 18 THR OG1 : rot 36:sc= 0.635 USER MOD Single : B 25 THR OG1 : rot -29:sc= -0.77! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 159:sc= -2.31 (180deg=-3.87!) USER MOD Single : B 32 GLN :FLIP amide:sc= -1.7 F(o=-3.2,f=-1.7) USER MOD Single : B 35 ASN : amide:sc= -4.09! C(o=-4.1!,f=-4.4!) USER MOD Single : B 37 ASN : amide:sc= -6.41! C(o=-6.4!,f=-7!) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 7.536 -15.597 1.104 1.00 0.00 N ATOM 21 CA GLN A 2 7.339 -14.154 1.128 1.00 0.00 C ATOM 22 C GLN A 2 7.198 -13.616 -0.291 1.00 0.00 C ATOM 23 O GLN A 2 7.852 -14.100 -1.215 1.00 0.00 O ATOM 24 CB GLN A 2 8.513 -13.472 1.832 1.00 0.00 C ATOM 25 CG GLN A 2 8.383 -11.957 1.900 1.00 0.00 C ATOM 26 CD GLN A 2 9.553 -11.273 2.596 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.573 -10.049 2.722 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.536 -12.050 3.051 1.00 0.00 N ATOM 0 HA GLN A 2 6.423 -13.937 1.678 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.599 -13.867 2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.436 -13.727 1.311 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.293 -11.563 0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.461 -11.703 2.424 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.485 -13.061 2.928 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.339 -11.633 3.522 1.00 0.00 H new ATOM 37 N TYR A 3 6.343 -12.613 -0.462 1.00 0.00 N ATOM 38 CA TYR A 3 6.127 -12.018 -1.774 1.00 0.00 C ATOM 39 C TYR A 3 6.288 -10.508 -1.713 1.00 0.00 C ATOM 40 O TYR A 3 5.969 -9.880 -0.704 1.00 0.00 O ATOM 41 CB TYR A 3 4.737 -12.381 -2.299 1.00 0.00 C ATOM 42 CG TYR A 3 4.540 -13.867 -2.501 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.504 -14.735 -1.417 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.392 -14.401 -3.775 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.327 -16.094 -1.596 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.215 -15.758 -3.962 1.00 0.00 C ATOM 47 CZ TYR A 3 4.182 -16.601 -2.869 1.00 0.00 C ATOM 48 OH TYR A 3 4.007 -17.955 -3.050 1.00 0.00 O ATOM 0 H TYR A 3 5.791 -12.197 0.288 1.00 0.00 H new ATOM 0 HA TYR A 3 6.876 -12.416 -2.458 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.986 -12.014 -1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.569 -11.868 -3.246 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.616 -14.341 -0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.416 -13.745 -4.632 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.302 -16.755 -0.742 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.103 -16.158 -4.959 1.00 0.00 H new ATOM 0 HH TYR A 3 4.380 -18.438 -2.283 1.00 0.00 H new ATOM 58 N LYS A 4 6.787 -9.927 -2.799 1.00 0.00 N ATOM 59 CA LYS A 4 6.990 -8.487 -2.859 1.00 0.00 C ATOM 60 C LYS A 4 5.907 -7.826 -3.701 1.00 0.00 C ATOM 61 O LYS A 4 5.878 -7.973 -4.919 1.00 0.00 O ATOM 62 CB LYS A 4 8.370 -8.168 -3.437 1.00 0.00 C ATOM 63 CG LYS A 4 8.704 -6.684 -3.430 1.00 0.00 C ATOM 64 CD LYS A 4 10.082 -6.419 -4.019 1.00 0.00 C ATOM 65 CE LYS A 4 10.436 -4.941 -3.979 1.00 0.00 C ATOM 66 NZ LYS A 4 10.513 -4.420 -2.585 1.00 0.00 N ATOM 0 H LYS A 4 7.057 -10.429 -3.645 1.00 0.00 H new ATOM 0 HA LYS A 4 6.931 -8.092 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.127 -8.705 -2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.421 -8.539 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.952 -6.138 -4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.665 -6.306 -2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.830 -6.987 -3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.111 -6.772 -5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.393 -4.784 -4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.690 -4.375 -4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.965 -3.483 -2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.554 -4.340 -2.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.074 -5.073 -2.001 1.00 0.00 H new ATOM 80 N VAL A 5 5.019 -7.095 -3.041 1.00 0.00 N ATOM 81 CA VAL A 5 3.936 -6.409 -3.731 1.00 0.00 C ATOM 82 C VAL A 5 4.329 -4.970 -4.041 1.00 0.00 C ATOM 83 O VAL A 5 4.827 -4.250 -3.176 1.00 0.00 O ATOM 84 CB VAL A 5 2.640 -6.419 -2.896 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.507 -5.739 -3.650 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.259 -7.843 -2.522 1.00 0.00 C ATOM 0 H VAL A 5 5.027 -6.962 -2.030 1.00 0.00 H new ATOM 0 HA VAL A 5 3.751 -6.944 -4.662 1.00 0.00 H new ATOM 0 HB VAL A 5 2.819 -5.859 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.603 -5.758 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.780 -4.705 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.325 -6.266 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.342 -7.831 -1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.101 -8.427 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.061 -8.292 -1.936 1.00 0.00 H new ATOM 96 N ILE A 6 4.114 -4.560 -5.281 1.00 0.00 N ATOM 97 CA ILE A 6 4.453 -3.213 -5.712 1.00 0.00 C ATOM 98 C ILE A 6 3.207 -2.346 -5.847 1.00 0.00 C ATOM 99 O ILE A 6 2.342 -2.603 -6.685 1.00 0.00 O ATOM 100 CB ILE A 6 5.222 -3.236 -7.052 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.617 -3.827 -6.848 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.321 -1.841 -7.656 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.406 -3.977 -8.130 1.00 0.00 C ATOM 0 H ILE A 6 3.704 -5.144 -6.010 1.00 0.00 H new ATOM 0 HA ILE A 6 5.096 -2.780 -4.945 1.00 0.00 H new ATOM 0 HB ILE A 6 4.668 -3.864 -7.750 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.175 -3.191 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.523 -4.804 -6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.867 -1.890 -8.598 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.319 -1.451 -7.837 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.847 -1.182 -6.965 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.385 -4.402 -7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.870 -4.637 -8.812 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.532 -3.000 -8.596 1.00 0.00 H new ATOM 115 N LEU A 7 3.135 -1.309 -5.023 1.00 0.00 N ATOM 116 CA LEU A 7 2.014 -0.387 -5.048 1.00 0.00 C ATOM 117 C LEU A 7 2.358 0.806 -5.933 1.00 0.00 C ATOM 118 O LEU A 7 2.825 1.842 -5.461 1.00 0.00 O ATOM 119 CB LEU A 7 1.675 0.052 -3.619 1.00 0.00 C ATOM 120 CG LEU A 7 0.982 -1.012 -2.771 1.00 0.00 C ATOM 121 CD1 LEU A 7 0.779 -0.512 -1.347 1.00 0.00 C ATOM 122 CD2 LEU A 7 -0.351 -1.397 -3.401 1.00 0.00 C ATOM 0 H LEU A 7 3.846 -1.087 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 7 1.135 -0.878 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.595 0.353 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.035 0.933 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 7 1.617 -1.897 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.284 -1.284 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.746 -0.280 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.161 0.386 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.837 -2.156 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.991 -0.517 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.179 -1.793 -4.402 1.00 0.00 H new ATOM 134 N ASN A 8 2.158 0.619 -7.237 1.00 0.00 N ATOM 135 CA ASN A 8 2.477 1.632 -8.239 1.00 0.00 C ATOM 136 C ASN A 8 1.274 2.497 -8.610 1.00 0.00 C ATOM 137 O ASN A 8 0.364 2.045 -9.300 1.00 0.00 O ATOM 138 CB ASN A 8 3.007 0.934 -9.492 1.00 0.00 C ATOM 139 CG ASN A 8 3.453 1.902 -10.566 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.653 1.680 -11.090 1.00 0.00 O flip ATOM 141 ND2 ASN A 8 2.726 2.826 -10.931 1.00 0.00 N flip ATOM 0 H ASN A 8 1.770 -0.240 -7.627 1.00 0.00 H new ATOM 0 HA ASN A 8 3.227 2.297 -7.811 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.845 0.294 -9.217 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.230 0.285 -9.896 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.812 2.957 -10.499 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.038 3.461 -11.666 1.00 0.00 H new ATOM 148 N GLY A 9 1.283 3.749 -8.164 1.00 0.00 N ATOM 149 CA GLY A 9 0.194 4.656 -8.478 1.00 0.00 C ATOM 150 C GLY A 9 0.654 5.836 -9.308 1.00 0.00 C ATOM 151 O GLY A 9 1.792 5.868 -9.778 1.00 0.00 O ATOM 0 H GLY A 9 2.025 4.152 -7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.583 4.115 -9.018 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.254 5.018 -7.552 1.00 0.00 H new ATOM 155 N LYS A 10 -0.229 6.813 -9.481 1.00 0.00 N ATOM 156 CA LYS A 10 0.094 8.007 -10.249 1.00 0.00 C ATOM 157 C LYS A 10 0.844 9.005 -9.373 1.00 0.00 C ATOM 158 O LYS A 10 1.940 9.452 -9.709 1.00 0.00 O ATOM 159 CB LYS A 10 -1.183 8.650 -10.796 1.00 0.00 C ATOM 160 CG LYS A 10 -2.001 7.727 -11.685 1.00 0.00 C ATOM 161 CD LYS A 10 -3.273 8.404 -12.171 1.00 0.00 C ATOM 162 CE LYS A 10 -4.174 8.803 -11.011 1.00 0.00 C ATOM 163 NZ LYS A 10 -5.437 9.437 -11.480 1.00 0.00 N ATOM 0 H LYS A 10 -1.175 6.800 -9.099 1.00 0.00 H new ATOM 0 HA LYS A 10 0.729 7.721 -11.087 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.801 8.976 -9.960 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.916 9.542 -11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.401 7.420 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.257 6.822 -11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.015 9.289 -12.753 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.813 7.730 -12.837 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.410 7.921 -10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.641 9.495 -10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.022 9.694 -10.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.214 10.293 -12.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.959 8.768 -12.081 1.00 0.00 H new ATOM 177 N THR A 11 0.232 9.350 -8.246 1.00 0.00 N ATOM 178 CA THR A 11 0.804 10.289 -7.303 1.00 0.00 C ATOM 179 C THR A 11 1.453 9.561 -6.133 1.00 0.00 C ATOM 180 O THR A 11 2.019 10.188 -5.237 1.00 0.00 O ATOM 181 CB THR A 11 -0.293 11.210 -6.787 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.474 10.472 -6.520 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.651 12.324 -7.746 1.00 0.00 C ATOM 0 H THR A 11 -0.677 8.983 -7.965 1.00 0.00 H new ATOM 0 HA THR A 11 1.573 10.870 -7.812 1.00 0.00 H new ATOM 0 HB THR A 11 0.111 11.660 -5.880 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.255 10.989 -6.807 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.439 12.939 -7.311 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.229 12.940 -7.933 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.001 11.897 -8.686 1.00 0.00 H new ATOM 191 N LEU A 12 1.358 8.236 -6.136 1.00 0.00 N ATOM 192 CA LEU A 12 1.926 7.439 -5.066 1.00 0.00 C ATOM 193 C LEU A 12 2.754 6.280 -5.615 1.00 0.00 C ATOM 194 O LEU A 12 2.320 5.558 -6.513 1.00 0.00 O ATOM 195 CB LEU A 12 0.809 6.935 -4.148 1.00 0.00 C ATOM 196 CG LEU A 12 1.267 6.078 -2.971 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.427 6.749 -2.263 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.115 5.838 -2.005 1.00 0.00 C ATOM 0 H LEU A 12 0.894 7.697 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 12 2.601 8.067 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.265 7.796 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.104 6.356 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 12 1.600 5.111 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.748 6.131 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.256 6.874 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.113 7.726 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.460 5.225 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.248 6.794 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.694 5.323 -2.524 1.00 0.00 H new ATOM 210 N LYS A 13 3.950 6.121 -5.060 1.00 0.00 N ATOM 211 CA LYS A 13 4.869 5.064 -5.469 1.00 0.00 C ATOM 212 C LYS A 13 5.404 4.341 -4.237 1.00 0.00 C ATOM 213 O LYS A 13 5.899 4.982 -3.313 1.00 0.00 O ATOM 214 CB LYS A 13 6.038 5.667 -6.254 1.00 0.00 C ATOM 215 CG LYS A 13 5.610 6.498 -7.455 1.00 0.00 C ATOM 216 CD LYS A 13 5.144 5.627 -8.607 1.00 0.00 C ATOM 217 CE LYS A 13 6.289 4.802 -9.173 1.00 0.00 C ATOM 218 NZ LYS A 13 5.881 4.035 -10.382 1.00 0.00 N ATOM 0 H LYS A 13 4.310 6.719 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 13 4.336 4.355 -6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.629 6.292 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.688 4.861 -6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.806 7.173 -7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.444 7.119 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.349 4.964 -8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.722 6.254 -9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.120 5.461 -9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.650 4.112 -8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.642 4.073 -11.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.700 3.045 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.016 4.451 -10.781 1.00 0.00 H new ATOM 232 N GLY A 14 5.310 3.015 -4.217 1.00 0.00 N ATOM 233 CA GLY A 14 5.800 2.278 -3.066 1.00 0.00 C ATOM 234 C GLY A 14 5.930 0.787 -3.304 1.00 0.00 C ATOM 235 O GLY A 14 5.554 0.279 -4.360 1.00 0.00 O ATOM 0 H GLY A 14 4.911 2.446 -4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.773 2.677 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.126 2.445 -2.226 1.00 0.00 H new ATOM 239 N GLU A 15 6.456 0.093 -2.299 1.00 0.00 N ATOM 240 CA GLU A 15 6.637 -1.350 -2.361 1.00 0.00 C ATOM 241 C GLU A 15 6.292 -1.972 -1.012 1.00 0.00 C ATOM 242 O GLU A 15 6.604 -1.412 0.037 1.00 0.00 O ATOM 243 CB GLU A 15 8.075 -1.709 -2.747 1.00 0.00 C ATOM 244 CG GLU A 15 8.555 -1.058 -4.036 1.00 0.00 C ATOM 245 CD GLU A 15 9.210 0.293 -3.810 1.00 0.00 C ATOM 246 OE1 GLU A 15 8.549 1.194 -3.255 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.391 0.446 -4.189 1.00 0.00 O ATOM 0 H GLU A 15 6.767 0.514 -1.424 1.00 0.00 H new ATOM 0 HA GLU A 15 5.970 -1.746 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.741 -1.417 -1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.153 -2.791 -2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.265 -1.722 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.709 -0.937 -4.712 1.00 0.00 H new ATOM 254 N THR A 16 5.636 -3.123 -1.049 1.00 0.00 N ATOM 255 CA THR A 16 5.236 -3.814 0.170 1.00 0.00 C ATOM 256 C THR A 16 5.486 -5.318 0.057 1.00 0.00 C ATOM 257 O THR A 16 5.765 -5.825 -1.027 1.00 0.00 O ATOM 258 CB THR A 16 3.762 -3.524 0.470 1.00 0.00 C ATOM 259 OG1 THR A 16 3.232 -4.499 1.332 1.00 0.00 O ATOM 260 CG2 THR A 16 2.887 -3.473 -0.765 1.00 0.00 C ATOM 0 H THR A 16 5.369 -3.599 -1.911 1.00 0.00 H new ATOM 0 HA THR A 16 5.842 -3.444 0.997 1.00 0.00 H new ATOM 0 HB THR A 16 3.754 -2.537 0.932 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.525 -4.100 1.882 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.858 -3.264 -0.473 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.243 -2.687 -1.431 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.930 -4.432 -1.281 1.00 0.00 H new ATOM 268 N THR A 17 5.407 -6.026 1.187 1.00 0.00 N ATOM 269 CA THR A 17 5.650 -7.471 1.200 1.00 0.00 C ATOM 270 C THR A 17 4.746 -8.219 2.187 1.00 0.00 C ATOM 271 O THR A 17 4.797 -7.985 3.393 1.00 0.00 O ATOM 272 CB THR A 17 7.114 -7.750 1.541 1.00 0.00 C ATOM 273 OG1 THR A 17 7.448 -7.207 2.807 1.00 0.00 O ATOM 274 CG2 THR A 17 8.082 -7.187 0.527 1.00 0.00 C ATOM 0 H THR A 17 5.179 -5.626 2.097 1.00 0.00 H new ATOM 0 HA THR A 17 5.415 -7.839 0.201 1.00 0.00 H new ATOM 0 HB THR A 17 7.208 -8.836 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.749 -6.581 3.089 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.103 -7.421 0.830 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.883 -7.628 -0.450 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.959 -6.105 0.468 1.00 0.00 H new ATOM 282 N THR A 18 3.946 -9.143 1.657 1.00 0.00 N ATOM 283 CA THR A 18 3.047 -9.969 2.467 1.00 0.00 C ATOM 284 C THR A 18 3.598 -11.391 2.553 1.00 0.00 C ATOM 285 O THR A 18 4.184 -11.892 1.593 1.00 0.00 O ATOM 286 CB THR A 18 1.648 -9.999 1.850 1.00 0.00 C ATOM 287 OG1 THR A 18 0.771 -10.782 2.641 1.00 0.00 O ATOM 288 CG2 THR A 18 1.626 -10.564 0.446 1.00 0.00 C ATOM 0 H THR A 18 3.901 -9.341 0.657 1.00 0.00 H new ATOM 0 HA THR A 18 2.981 -9.539 3.467 1.00 0.00 H new ATOM 0 HB THR A 18 1.325 -8.959 1.811 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.990 -10.662 3.589 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.604 -10.557 0.067 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.257 -9.955 -0.201 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.001 -11.587 0.460 1.00 0.00 H new ATOM 296 N GLU A 19 3.406 -12.038 3.692 1.00 0.00 N ATOM 297 CA GLU A 19 3.885 -13.403 3.879 1.00 0.00 C ATOM 298 C GLU A 19 2.714 -14.378 3.829 1.00 0.00 C ATOM 299 O GLU A 19 1.810 -14.312 4.662 1.00 0.00 O ATOM 300 CB GLU A 19 4.623 -13.524 5.215 1.00 0.00 C ATOM 301 CG GLU A 19 5.317 -14.864 5.423 1.00 0.00 C ATOM 302 CD GLU A 19 4.346 -16.019 5.570 1.00 0.00 C ATOM 303 OE1 GLU A 19 3.528 -15.990 6.514 1.00 0.00 O ATOM 304 OE2 GLU A 19 4.404 -16.953 4.743 1.00 0.00 O ATOM 0 H GLU A 19 2.924 -11.644 4.500 1.00 0.00 H new ATOM 0 HA GLU A 19 4.579 -13.648 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.365 -12.728 5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.912 -13.365 6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.979 -15.059 4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.943 -14.808 6.313 1.00 0.00 H new ATOM 311 N ALA A 20 2.719 -15.274 2.844 1.00 0.00 N ATOM 312 CA ALA A 20 1.635 -16.238 2.703 1.00 0.00 C ATOM 313 C ALA A 20 2.112 -17.558 2.095 1.00 0.00 C ATOM 314 O ALA A 20 3.110 -17.607 1.378 1.00 0.00 O ATOM 315 CB ALA A 20 0.522 -15.637 1.860 1.00 0.00 C ATOM 0 H ALA A 20 3.453 -15.351 2.140 1.00 0.00 H new ATOM 0 HA ALA A 20 1.258 -16.464 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.287 -16.360 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.144 -14.737 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.910 -15.382 0.874 1.00 0.00 H new ATOM 321 N VAL A 21 1.388 -18.627 2.420 1.00 0.00 N ATOM 322 CA VAL A 21 1.719 -19.971 1.949 1.00 0.00 C ATOM 323 C VAL A 21 1.931 -20.016 0.435 1.00 0.00 C ATOM 324 O VAL A 21 2.686 -20.849 -0.066 1.00 0.00 O ATOM 325 CB VAL A 21 0.607 -20.971 2.321 1.00 0.00 C ATOM 326 CG1 VAL A 21 1.026 -22.392 1.981 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.246 -20.845 3.794 1.00 0.00 C ATOM 0 H VAL A 21 0.560 -18.587 3.014 1.00 0.00 H new ATOM 0 HA VAL A 21 2.652 -20.249 2.440 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.280 -20.734 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.227 -23.082 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.223 -22.467 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.929 -22.648 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.541 -21.559 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.126 -21.052 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.106 -19.834 3.997 1.00 0.00 H new ATOM 337 N ASP A 22 1.275 -19.117 -0.288 1.00 0.00 N ATOM 338 CA ASP A 22 1.420 -19.068 -1.740 1.00 0.00 C ATOM 339 C ASP A 22 1.111 -17.678 -2.280 1.00 0.00 C ATOM 340 O ASP A 22 0.648 -16.806 -1.544 1.00 0.00 O ATOM 341 CB ASP A 22 0.524 -20.116 -2.408 1.00 0.00 C ATOM 342 CG ASP A 22 -0.953 -19.829 -2.233 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.424 -18.809 -2.773 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.638 -20.625 -1.556 1.00 0.00 O ATOM 0 H ASP A 22 0.643 -18.418 0.101 1.00 0.00 H new ATOM 0 HA ASP A 22 2.459 -19.297 -1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.757 -20.160 -3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.750 -21.098 -1.992 1.00 0.00 H new ATOM 349 N ALA A 23 1.385 -17.472 -3.564 1.00 0.00 N ATOM 350 CA ALA A 23 1.149 -16.181 -4.197 1.00 0.00 C ATOM 351 C ALA A 23 -0.305 -15.758 -4.072 1.00 0.00 C ATOM 352 O ALA A 23 -0.599 -14.596 -3.798 1.00 0.00 O ATOM 353 CB ALA A 23 1.570 -16.220 -5.656 1.00 0.00 C ATOM 0 H ALA A 23 1.771 -18.183 -4.186 1.00 0.00 H new ATOM 0 HA ALA A 23 1.755 -15.439 -3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.387 -15.248 -6.114 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.632 -16.458 -5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.994 -16.982 -6.181 1.00 0.00 H new ATOM 359 N ALA A 24 -1.215 -16.704 -4.264 1.00 0.00 N ATOM 360 CA ALA A 24 -2.636 -16.406 -4.155 1.00 0.00 C ATOM 361 C ALA A 24 -2.970 -15.983 -2.734 1.00 0.00 C ATOM 362 O ALA A 24 -3.515 -14.903 -2.512 1.00 0.00 O ATOM 363 CB ALA A 24 -3.468 -17.609 -4.575 1.00 0.00 C ATOM 0 H ALA A 24 -0.998 -17.674 -4.494 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.877 -15.582 -4.827 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.527 -17.367 -4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.239 -17.866 -5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.234 -18.456 -3.930 1.00 0.00 H new ATOM 369 N THR A 25 -2.610 -16.823 -1.766 1.00 0.00 N ATOM 370 CA THR A 25 -2.847 -16.512 -0.370 1.00 0.00 C ATOM 371 C THR A 25 -2.280 -15.135 -0.064 1.00 0.00 C ATOM 372 O THR A 25 -2.942 -14.299 0.549 1.00 0.00 O ATOM 373 CB THR A 25 -2.201 -17.568 0.525 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.809 -17.647 0.293 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.779 -18.955 0.338 1.00 0.00 C ATOM 0 H THR A 25 -2.154 -17.721 -1.929 1.00 0.00 H new ATOM 0 HA THR A 25 -3.919 -16.512 -0.174 1.00 0.00 H new ATOM 0 HB THR A 25 -2.411 -17.241 1.543 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.619 -17.415 -0.640 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.273 -19.653 1.005 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.844 -18.940 0.569 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.637 -19.272 -0.695 1.00 0.00 H new ATOM 383 N ALA A 26 -1.059 -14.899 -0.536 1.00 0.00 N ATOM 384 CA ALA A 26 -0.415 -13.610 -0.350 1.00 0.00 C ATOM 385 C ALA A 26 -1.250 -12.527 -1.017 1.00 0.00 C ATOM 386 O ALA A 26 -1.598 -11.525 -0.393 1.00 0.00 O ATOM 387 CB ALA A 26 0.996 -13.631 -0.921 1.00 0.00 C ATOM 0 H ALA A 26 -0.501 -15.583 -1.047 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.341 -13.396 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.463 -12.657 -0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.583 -14.396 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.954 -13.855 -1.987 1.00 0.00 H new ATOM 393 N GLU A 27 -1.586 -12.746 -2.290 1.00 0.00 N ATOM 394 CA GLU A 27 -2.401 -11.800 -3.039 1.00 0.00 C ATOM 395 C GLU A 27 -3.688 -11.493 -2.284 1.00 0.00 C ATOM 396 O GLU A 27 -4.076 -10.334 -2.142 1.00 0.00 O ATOM 397 CB GLU A 27 -2.719 -12.357 -4.432 1.00 0.00 C ATOM 398 CG GLU A 27 -3.536 -11.413 -5.301 1.00 0.00 C ATOM 399 CD GLU A 27 -5.012 -11.413 -4.953 1.00 0.00 C ATOM 400 OE1 GLU A 27 -5.431 -12.246 -4.122 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.756 -10.588 -5.526 1.00 0.00 O ATOM 0 H GLU A 27 -1.304 -13.571 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.839 -10.874 -3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.784 -12.588 -4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.262 -13.296 -4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.144 -10.401 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.415 -11.695 -6.347 1.00 0.00 H new ATOM 408 N LYS A 28 -4.339 -12.542 -1.786 1.00 0.00 N ATOM 409 CA LYS A 28 -5.575 -12.387 -1.031 1.00 0.00 C ATOM 410 C LYS A 28 -5.324 -11.573 0.229 1.00 0.00 C ATOM 411 O LYS A 28 -6.105 -10.686 0.574 1.00 0.00 O ATOM 412 CB LYS A 28 -6.149 -13.755 -0.662 1.00 0.00 C ATOM 413 CG LYS A 28 -6.566 -14.583 -1.866 1.00 0.00 C ATOM 414 CD LYS A 28 -7.626 -13.865 -2.684 1.00 0.00 C ATOM 415 CE LYS A 28 -8.041 -14.681 -3.901 1.00 0.00 C ATOM 416 NZ LYS A 28 -9.088 -13.989 -4.702 1.00 0.00 N ATOM 0 H LYS A 28 -4.029 -13.508 -1.893 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.297 -11.860 -1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.405 -14.310 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.012 -13.614 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.696 -14.786 -2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.951 -15.547 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.499 -13.671 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.244 -12.897 -3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.169 -14.868 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.415 -15.652 -3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.343 -14.577 -5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.930 -13.833 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.723 -13.073 -5.033 1.00 0.00 H new ATOM 430 N VAL A 29 -4.225 -11.877 0.907 1.00 0.00 N ATOM 431 CA VAL A 29 -3.862 -11.168 2.124 1.00 0.00 C ATOM 432 C VAL A 29 -3.721 -9.682 1.844 1.00 0.00 C ATOM 433 O VAL A 29 -4.162 -8.844 2.632 1.00 0.00 O ATOM 434 CB VAL A 29 -2.547 -11.708 2.718 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.166 -10.940 3.975 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.666 -13.196 3.015 1.00 0.00 C ATOM 0 H VAL A 29 -3.570 -12.610 0.634 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.659 -11.329 2.851 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.757 -11.566 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.235 -11.339 4.377 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.034 -9.886 3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.956 -11.044 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.728 -13.560 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.471 -13.361 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.885 -13.735 2.093 1.00 0.00 H new ATOM 446 N VAL A 30 -3.129 -9.358 0.702 1.00 0.00 N ATOM 447 CA VAL A 30 -2.961 -7.973 0.304 1.00 0.00 C ATOM 448 C VAL A 30 -4.336 -7.329 0.146 1.00 0.00 C ATOM 449 O VAL A 30 -4.576 -6.227 0.637 1.00 0.00 O ATOM 450 CB VAL A 30 -2.176 -7.862 -1.018 1.00 0.00 C ATOM 451 CG1 VAL A 30 -2.008 -6.408 -1.434 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.821 -8.539 -0.889 1.00 0.00 C ATOM 0 H VAL A 30 -2.758 -10.037 0.038 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.391 -7.455 1.076 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.748 -8.371 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.451 -6.359 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.989 -5.953 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.464 -5.868 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.279 -8.452 -1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.248 -8.059 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.962 -9.593 -0.648 1.00 0.00 H new ATOM 462 N LYS A 31 -5.249 -8.033 -0.531 1.00 0.00 N ATOM 463 CA LYS A 31 -6.605 -7.528 -0.729 1.00 0.00 C ATOM 464 C LYS A 31 -7.176 -7.034 0.589 1.00 0.00 C ATOM 465 O LYS A 31 -7.647 -5.904 0.696 1.00 0.00 O ATOM 466 CB LYS A 31 -7.526 -8.611 -1.300 1.00 0.00 C ATOM 467 CG LYS A 31 -7.054 -9.193 -2.621 1.00 0.00 C ATOM 468 CD LYS A 31 -6.970 -8.137 -3.711 1.00 0.00 C ATOM 469 CE LYS A 31 -8.305 -7.945 -4.411 1.00 0.00 C ATOM 470 NZ LYS A 31 -9.368 -7.484 -3.479 1.00 0.00 N ATOM 0 H LYS A 31 -5.073 -8.947 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.550 -6.705 -1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.616 -9.417 -0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.523 -8.191 -1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.075 -9.653 -2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.737 -9.983 -2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.647 -7.191 -3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.214 -8.427 -4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.190 -7.219 -5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.610 -8.885 -4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.148 -7.064 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.724 -8.293 -2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.976 -6.772 -2.830 1.00 0.00 H new ATOM 484 N GLN A 32 -7.115 -7.898 1.597 1.00 0.00 N ATOM 485 CA GLN A 32 -7.614 -7.558 2.922 1.00 0.00 C ATOM 486 C GLN A 32 -6.901 -6.316 3.438 1.00 0.00 C ATOM 487 O GLN A 32 -7.507 -5.452 4.074 1.00 0.00 O ATOM 488 CB GLN A 32 -7.404 -8.730 3.882 1.00 0.00 C ATOM 489 CG GLN A 32 -8.071 -8.540 5.235 1.00 0.00 C ATOM 490 CD GLN A 32 -9.591 -8.462 5.162 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.166 -8.732 3.989 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.247 -8.177 6.163 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.725 -8.837 1.521 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.682 -7.351 2.858 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.790 -9.639 3.421 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.335 -8.878 4.032 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.789 -9.366 5.888 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.691 -7.627 5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.773 -7.976 7.043 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.265 -8.141 6.112 1.00 0.00 H new ATOM 501 N PHE A 33 -5.609 -6.231 3.142 1.00 0.00 N ATOM 502 CA PHE A 33 -4.791 -5.098 3.554 1.00 0.00 C ATOM 503 C PHE A 33 -5.446 -3.789 3.110 1.00 0.00 C ATOM 504 O PHE A 33 -5.880 -2.981 3.931 1.00 0.00 O ATOM 505 CB PHE A 33 -3.387 -5.234 2.943 1.00 0.00 C ATOM 506 CG PHE A 33 -2.381 -4.293 3.526 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.987 -4.427 4.846 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.834 -3.269 2.764 1.00 0.00 C ATOM 509 CE1 PHE A 33 -1.070 -3.558 5.398 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.914 -2.400 3.314 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.533 -2.545 4.633 1.00 0.00 C ATOM 0 H PHE A 33 -5.102 -6.941 2.613 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.706 -5.086 4.641 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.038 -6.257 3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.450 -5.063 1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.402 -5.220 5.450 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.131 -3.152 1.732 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.772 -3.671 6.430 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.493 -1.607 2.713 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.186 -1.865 5.065 1.00 0.00 H new ATOM 521 N PHE A 34 -5.519 -3.607 1.798 1.00 0.00 N ATOM 522 CA PHE A 34 -6.126 -2.416 1.212 1.00 0.00 C ATOM 523 C PHE A 34 -7.617 -2.378 1.509 1.00 0.00 C ATOM 524 O PHE A 34 -8.180 -1.320 1.787 1.00 0.00 O ATOM 525 CB PHE A 34 -5.850 -2.387 -0.285 1.00 0.00 C ATOM 526 CG PHE A 34 -4.380 -2.426 -0.567 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.530 -1.533 0.064 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.844 -3.365 -1.427 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.171 -1.576 -0.162 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.485 -3.408 -1.661 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.650 -2.514 -1.026 1.00 0.00 C ATOM 0 H PHE A 34 -5.163 -4.274 1.114 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.684 -1.525 1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.337 -3.237 -0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.282 -1.486 -0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.936 -0.795 0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.495 -4.072 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.517 -0.876 0.337 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.076 -4.141 -2.341 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.586 -2.549 -1.206 1.00 0.00 H new ATOM 541 N ASN A 35 -8.247 -3.544 1.473 1.00 0.00 N ATOM 542 CA ASN A 35 -9.669 -3.663 1.764 1.00 0.00 C ATOM 543 C ASN A 35 -9.996 -2.965 3.082 1.00 0.00 C ATOM 544 O ASN A 35 -11.025 -2.304 3.221 1.00 0.00 O ATOM 545 CB ASN A 35 -10.041 -5.143 1.864 1.00 0.00 C ATOM 546 CG ASN A 35 -11.512 -5.368 2.127 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.103 -4.748 3.012 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.103 -6.282 1.372 1.00 0.00 N ATOM 0 H ASN A 35 -7.792 -4.427 1.243 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.239 -3.192 0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.763 -5.645 0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.460 -5.604 2.663 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.090 -6.498 1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.571 -6.769 0.651 1.00 0.00 H new ATOM 555 N ASP A 36 -9.094 -3.133 4.043 1.00 0.00 N ATOM 556 CA ASP A 36 -9.249 -2.539 5.368 1.00 0.00 C ATOM 557 C ASP A 36 -8.529 -1.196 5.494 1.00 0.00 C ATOM 558 O ASP A 36 -8.893 -0.376 6.336 1.00 0.00 O ATOM 559 CB ASP A 36 -8.750 -3.501 6.443 1.00 0.00 C ATOM 560 CG ASP A 36 -9.537 -4.796 6.470 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.767 -4.740 6.685 1.00 0.00 O ATOM 562 OD2 ASP A 36 -8.925 -5.867 6.275 1.00 0.00 O ATOM 0 H ASP A 36 -8.241 -3.680 3.928 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.313 -2.352 5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.697 -3.722 6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.817 -3.018 7.418 1.00 0.00 H new ATOM 567 N ASN A 37 -7.523 -0.959 4.655 1.00 0.00 N ATOM 568 CA ASN A 37 -6.796 0.308 4.700 1.00 0.00 C ATOM 569 C ASN A 37 -7.611 1.389 4.007 1.00 0.00 C ATOM 570 O ASN A 37 -7.766 2.496 4.523 1.00 0.00 O ATOM 571 CB ASN A 37 -5.423 0.189 4.027 1.00 0.00 C ATOM 572 CG ASN A 37 -4.490 -0.758 4.751 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.404 -0.744 5.978 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.755 -1.567 3.992 1.00 0.00 N ATOM 0 H ASN A 37 -7.196 -1.616 3.946 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.640 0.572 5.746 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.556 -0.154 3.001 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.963 1.176 3.976 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.089 -2.207 4.425 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.857 -1.547 2.977 1.00 0.00 H new ATOM 581 N GLY A 38 -8.126 1.028 2.835 1.00 0.00 N ATOM 582 CA GLY A 38 -8.942 1.912 2.015 1.00 0.00 C ATOM 583 C GLY A 38 -9.256 3.268 2.621 1.00 0.00 C ATOM 584 O GLY A 38 -8.364 4.092 2.828 1.00 0.00 O ATOM 0 H GLY A 38 -7.986 0.104 2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.433 2.069 1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.882 1.407 1.793 1.00 0.00 H new ATOM 588 N VAL A 39 -10.544 3.526 2.821 1.00 0.00 N ATOM 589 CA VAL A 39 -11.005 4.822 3.315 1.00 0.00 C ATOM 590 C VAL A 39 -11.436 4.824 4.782 1.00 0.00 C ATOM 591 O VAL A 39 -11.826 5.874 5.296 1.00 0.00 O ATOM 592 CB VAL A 39 -12.198 5.301 2.473 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.609 6.719 2.850 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.877 5.204 0.990 1.00 0.00 C ATOM 0 H VAL A 39 -11.291 2.853 2.648 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.145 5.486 3.230 1.00 0.00 H new ATOM 0 HB VAL A 39 -13.044 4.647 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.455 7.028 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.894 6.748 3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.772 7.397 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.733 5.547 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.012 5.827 0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.656 4.168 0.733 1.00 0.00 H new ATOM 604 N ASP A 40 -11.391 3.691 5.474 1.00 0.00 N ATOM 605 CA ASP A 40 -11.808 3.668 6.878 1.00 0.00 C ATOM 606 C ASP A 40 -10.723 3.098 7.793 1.00 0.00 C ATOM 607 O ASP A 40 -11.004 2.716 8.930 1.00 0.00 O ATOM 608 CB ASP A 40 -13.092 2.852 7.029 1.00 0.00 C ATOM 609 CG ASP A 40 -14.242 3.431 6.227 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.610 4.599 6.476 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.773 2.718 5.351 1.00 0.00 O ATOM 0 H ASP A 40 -11.079 2.795 5.101 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.987 4.700 7.181 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.908 1.827 6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.371 2.810 8.082 1.00 0.00 H new ATOM 616 N GLY A 41 -9.489 3.033 7.299 1.00 0.00 N ATOM 617 CA GLY A 41 -8.401 2.496 8.101 1.00 0.00 C ATOM 618 C GLY A 41 -7.905 3.463 9.162 1.00 0.00 C ATOM 619 O GLY A 41 -8.199 4.658 9.111 1.00 0.00 O ATOM 0 H GLY A 41 -9.223 3.340 6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.733 1.577 8.583 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.572 2.230 7.445 1.00 0.00 H new ATOM 623 N GLU A 42 -7.139 2.941 10.119 1.00 0.00 N ATOM 624 CA GLU A 42 -6.581 3.756 11.198 1.00 0.00 C ATOM 625 C GLU A 42 -5.195 4.260 10.809 1.00 0.00 C ATOM 626 O GLU A 42 -4.212 3.521 10.877 1.00 0.00 O ATOM 627 CB GLU A 42 -6.499 2.946 12.493 1.00 0.00 C ATOM 628 CG GLU A 42 -7.848 2.444 12.983 1.00 0.00 C ATOM 629 CD GLU A 42 -7.744 1.651 14.272 1.00 0.00 C ATOM 630 OE1 GLU A 42 -6.616 1.494 14.785 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.792 1.187 14.769 1.00 0.00 O ATOM 0 H GLU A 42 -6.890 1.953 10.169 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.237 4.610 11.363 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.838 2.093 12.337 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.046 3.563 13.269 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.513 3.294 13.136 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.301 1.820 12.213 1.00 0.00 H new ATOM 638 N TRP A 43 -5.129 5.514 10.368 1.00 0.00 N ATOM 639 CA TRP A 43 -3.870 6.105 9.929 1.00 0.00 C ATOM 640 C TRP A 43 -3.260 7.031 10.978 1.00 0.00 C ATOM 641 O TRP A 43 -3.877 8.011 11.392 1.00 0.00 O ATOM 642 CB TRP A 43 -4.091 6.903 8.646 1.00 0.00 C ATOM 643 CG TRP A 43 -4.621 6.097 7.499 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.414 4.985 7.555 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.396 6.359 6.113 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.693 4.542 6.284 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.078 5.370 5.383 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.682 7.338 5.420 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -5.066 5.332 3.992 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.670 7.301 4.041 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.357 6.304 3.339 1.00 0.00 C ATOM 0 H TRP A 43 -5.933 6.139 10.306 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.177 5.281 9.760 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.786 7.717 8.854 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.146 7.358 8.348 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.769 4.523 8.464 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.264 3.730 6.050 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.149 8.111 5.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.596 4.564 3.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.121 8.054 3.494 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.327 6.301 2.259 1.00 0.00 H new ATOM 662 N THR A 44 -2.027 6.730 11.375 1.00 0.00 N ATOM 663 CA THR A 44 -1.306 7.551 12.342 1.00 0.00 C ATOM 664 C THR A 44 -0.141 8.251 11.646 1.00 0.00 C ATOM 665 O THR A 44 0.516 7.663 10.786 1.00 0.00 O ATOM 666 CB THR A 44 -0.796 6.695 13.502 1.00 0.00 C ATOM 667 OG1 THR A 44 0.053 5.665 13.031 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.907 6.046 14.301 1.00 0.00 C ATOM 0 H THR A 44 -1.505 5.920 11.040 1.00 0.00 H new ATOM 0 HA THR A 44 -1.986 8.300 12.748 1.00 0.00 H new ATOM 0 HB THR A 44 -0.257 7.383 14.153 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.836 6.061 12.594 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.476 5.453 15.108 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.552 6.818 14.722 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.494 5.399 13.649 1.00 0.00 H new ATOM 676 N TYR A 45 0.103 9.510 11.995 1.00 0.00 N ATOM 677 CA TYR A 45 1.180 10.274 11.369 1.00 0.00 C ATOM 678 C TYR A 45 2.310 10.564 12.355 1.00 0.00 C ATOM 679 O TYR A 45 2.070 10.829 13.532 1.00 0.00 O ATOM 680 CB TYR A 45 0.630 11.585 10.802 1.00 0.00 C ATOM 681 CG TYR A 45 1.637 12.382 9.998 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.611 11.745 9.236 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.608 13.770 9.994 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.526 12.469 8.497 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.521 14.502 9.258 1.00 0.00 C ATOM 686 CZ TYR A 45 3.478 13.846 8.510 1.00 0.00 C ATOM 687 OH TYR A 45 4.387 14.571 7.775 1.00 0.00 O ATOM 0 H TYR A 45 -0.425 10.021 12.702 1.00 0.00 H new ATOM 0 HA TYR A 45 1.591 9.671 10.559 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.229 11.363 10.170 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.269 12.201 11.625 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.652 10.666 9.222 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.859 14.287 10.576 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.276 11.958 7.911 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.486 15.581 9.268 1.00 0.00 H new ATOM 0 HH TYR A 45 3.979 15.416 7.492 1.00 0.00 H new ATOM 697 N ASP A 46 3.542 10.517 11.856 1.00 0.00 N ATOM 698 CA ASP A 46 4.718 10.782 12.679 1.00 0.00 C ATOM 699 C ASP A 46 5.545 11.920 12.086 1.00 0.00 C ATOM 700 O ASP A 46 6.519 11.684 11.371 1.00 0.00 O ATOM 701 CB ASP A 46 5.574 9.519 12.803 1.00 0.00 C ATOM 702 CG ASP A 46 6.796 9.732 13.675 1.00 0.00 C ATOM 703 OD1 ASP A 46 6.625 10.070 14.865 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.925 9.558 13.169 1.00 0.00 O ATOM 0 H ASP A 46 3.752 10.297 10.882 1.00 0.00 H new ATOM 0 HA ASP A 46 4.381 11.080 13.672 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.970 8.713 13.220 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.891 9.199 11.810 1.00 0.00 H new ATOM 709 N ASP A 47 5.146 13.155 12.384 1.00 0.00 N ATOM 710 CA ASP A 47 5.842 14.339 11.879 1.00 0.00 C ATOM 711 C ASP A 47 7.357 14.207 12.034 1.00 0.00 C ATOM 712 O ASP A 47 8.120 14.703 11.204 1.00 0.00 O ATOM 713 CB ASP A 47 5.361 15.590 12.617 1.00 0.00 C ATOM 714 CG ASP A 47 3.877 15.843 12.429 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.454 16.055 11.274 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.140 15.827 13.437 1.00 0.00 O ATOM 0 H ASP A 47 4.341 13.363 12.975 1.00 0.00 H new ATOM 0 HA ASP A 47 5.612 14.428 10.817 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.576 15.485 13.680 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.921 16.455 12.262 1.00 0.00 H new ATOM 721 N ALA A 48 7.782 13.554 13.109 1.00 0.00 N ATOM 722 CA ALA A 48 9.204 13.375 13.391 1.00 0.00 C ATOM 723 C ALA A 48 9.967 12.839 12.182 1.00 0.00 C ATOM 724 O ALA A 48 11.146 13.146 12.002 1.00 0.00 O ATOM 725 CB ALA A 48 9.388 12.447 14.581 1.00 0.00 C ATOM 0 H ALA A 48 7.161 13.138 13.803 1.00 0.00 H new ATOM 0 HA ALA A 48 9.616 14.356 13.627 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.452 12.320 14.783 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.901 12.877 15.456 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.943 11.477 14.358 1.00 0.00 H new ATOM 731 N THR A 49 9.305 12.032 11.361 1.00 0.00 N ATOM 732 CA THR A 49 9.950 11.460 10.183 1.00 0.00 C ATOM 733 C THR A 49 9.138 11.702 8.911 1.00 0.00 C ATOM 734 O THR A 49 9.366 11.049 7.893 1.00 0.00 O ATOM 735 CB THR A 49 10.162 9.957 10.379 1.00 0.00 C ATOM 736 OG1 THR A 49 8.924 9.298 10.583 1.00 0.00 O ATOM 737 CG2 THR A 49 11.055 9.628 11.554 1.00 0.00 C ATOM 0 H THR A 49 8.330 11.760 11.487 1.00 0.00 H new ATOM 0 HA THR A 49 10.912 11.958 10.064 1.00 0.00 H new ATOM 0 HB THR A 49 10.647 9.612 9.466 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.617 9.455 11.500 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.164 8.547 11.637 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.035 10.081 11.404 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.611 10.019 12.469 1.00 0.00 H new ATOM 745 N LYS A 50 8.191 12.640 8.966 1.00 0.00 N ATOM 746 CA LYS A 50 7.361 12.945 7.800 1.00 0.00 C ATOM 747 C LYS A 50 6.815 11.658 7.187 1.00 0.00 C ATOM 748 O LYS A 50 6.750 11.518 5.962 1.00 0.00 O ATOM 749 CB LYS A 50 8.184 13.703 6.753 1.00 0.00 C ATOM 750 CG LYS A 50 8.734 15.032 7.243 1.00 0.00 C ATOM 751 CD LYS A 50 7.627 16.045 7.489 1.00 0.00 C ATOM 752 CE LYS A 50 6.872 16.369 6.210 1.00 0.00 C ATOM 753 NZ LYS A 50 5.826 17.404 6.431 1.00 0.00 N ATOM 0 H LYS A 50 7.981 13.196 9.795 1.00 0.00 H new ATOM 0 HA LYS A 50 6.526 13.568 8.122 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.014 13.074 6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.562 13.880 5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.295 14.876 8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.433 15.429 6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.933 15.653 8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.054 16.959 7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.574 16.718 5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.409 15.462 5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.300 17.560 5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.171 17.083 7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.275 18.294 6.728 1.00 0.00 H new ATOM 767 N THR A 51 6.455 10.708 8.043 1.00 0.00 N ATOM 768 CA THR A 51 5.950 9.421 7.584 1.00 0.00 C ATOM 769 C THR A 51 4.615 9.062 8.233 1.00 0.00 C ATOM 770 O THR A 51 4.401 9.302 9.422 1.00 0.00 O ATOM 771 CB THR A 51 6.985 8.333 7.884 1.00 0.00 C ATOM 772 OG1 THR A 51 8.187 8.577 7.176 1.00 0.00 O ATOM 773 CG2 THR A 51 6.522 6.936 7.529 1.00 0.00 C ATOM 0 H THR A 51 6.504 10.805 9.057 1.00 0.00 H new ATOM 0 HA THR A 51 5.780 9.492 6.510 1.00 0.00 H new ATOM 0 HB THR A 51 7.139 8.379 8.962 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.577 9.425 7.475 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.308 6.220 7.770 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.624 6.695 8.098 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.300 6.886 6.463 1.00 0.00 H new ATOM 781 N PHE A 52 3.733 8.461 7.440 1.00 0.00 N ATOM 782 CA PHE A 52 2.424 8.030 7.920 1.00 0.00 C ATOM 783 C PHE A 52 2.402 6.512 8.055 1.00 0.00 C ATOM 784 O PHE A 52 3.009 5.810 7.251 1.00 0.00 O ATOM 785 CB PHE A 52 1.322 8.469 6.950 1.00 0.00 C ATOM 786 CG PHE A 52 1.235 9.955 6.742 1.00 0.00 C ATOM 787 CD1 PHE A 52 1.980 10.575 5.752 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.400 10.729 7.532 1.00 0.00 C ATOM 789 CE1 PHE A 52 1.893 11.940 5.554 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.309 12.094 7.336 1.00 0.00 C ATOM 791 CZ PHE A 52 1.057 12.701 6.347 1.00 0.00 C ATOM 0 H PHE A 52 3.903 8.260 6.455 1.00 0.00 H new ATOM 0 HA PHE A 52 2.242 8.490 8.891 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.490 7.989 5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.363 8.109 7.322 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.636 9.985 5.128 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.186 10.261 8.309 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.479 12.412 4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.347 12.686 7.957 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.988 13.768 6.194 1.00 0.00 H new ATOM 801 N THR A 53 1.709 6.003 9.065 1.00 0.00 N ATOM 802 CA THR A 53 1.634 4.561 9.269 1.00 0.00 C ATOM 803 C THR A 53 0.197 4.056 9.230 1.00 0.00 C ATOM 804 O THR A 53 -0.660 4.511 9.989 1.00 0.00 O ATOM 805 CB THR A 53 2.288 4.164 10.594 1.00 0.00 C ATOM 806 OG1 THR A 53 1.971 5.093 11.614 1.00 0.00 O ATOM 807 CG2 THR A 53 3.795 4.052 10.513 1.00 0.00 C ATOM 0 H THR A 53 1.196 6.559 9.749 1.00 0.00 H new ATOM 0 HA THR A 53 2.178 4.095 8.448 1.00 0.00 H new ATOM 0 HB THR A 53 1.885 3.179 10.827 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.282 4.714 12.199 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.192 3.767 11.488 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.065 3.295 9.776 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.216 5.013 10.216 1.00 0.00 H new ATOM 815 N VAL A 54 -0.043 3.086 8.356 1.00 0.00 N ATOM 816 CA VAL A 54 -1.355 2.474 8.221 1.00 0.00 C ATOM 817 C VAL A 54 -1.330 1.094 8.866 1.00 0.00 C ATOM 818 O VAL A 54 -0.663 0.183 8.376 1.00 0.00 O ATOM 819 CB VAL A 54 -1.783 2.354 6.741 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.149 1.693 6.628 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.794 3.723 6.080 1.00 0.00 C ATOM 0 H VAL A 54 0.663 2.705 7.726 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.083 3.112 8.722 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.058 1.726 6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.431 1.618 5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.108 0.695 7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.888 2.292 7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.097 3.622 5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.497 4.373 6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.795 4.157 6.126 1.00 0.00 H new ATOM 831 N THR A 55 -2.034 0.949 9.984 1.00 0.00 N ATOM 832 CA THR A 55 -2.048 -0.320 10.699 1.00 0.00 C ATOM 833 C THR A 55 -3.328 -1.107 10.448 1.00 0.00 C ATOM 834 O THR A 55 -4.420 -0.684 10.831 1.00 0.00 O ATOM 835 CB THR A 55 -1.864 -0.090 12.199 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.785 0.795 12.440 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.577 -1.368 12.957 1.00 0.00 C ATOM 0 H THR A 55 -2.596 1.686 10.410 1.00 0.00 H new ATOM 0 HA THR A 55 -1.216 -0.912 10.317 1.00 0.00 H new ATOM 0 HB THR A 55 -2.807 0.330 12.551 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.683 0.932 13.405 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.456 -1.143 14.017 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.407 -2.063 12.826 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.662 -1.820 12.575 1.00 0.00 H new ATOM 845 N GLU A 56 -3.180 -2.263 9.805 1.00 0.00 N ATOM 846 CA GLU A 56 -4.314 -3.128 9.501 1.00 0.00 C ATOM 847 C GLU A 56 -5.137 -3.415 10.755 1.00 0.00 C ATOM 848 O GLU A 56 -6.304 -2.975 10.809 1.00 0.00 O ATOM 849 CB GLU A 56 -3.817 -4.441 8.886 1.00 0.00 C ATOM 850 CG GLU A 56 -4.915 -5.464 8.638 1.00 0.00 C ATOM 851 CD GLU A 56 -6.000 -4.943 7.718 1.00 0.00 C ATOM 852 OE1 GLU A 56 -5.683 -4.594 6.563 1.00 0.00 O ATOM 853 OE2 GLU A 56 -7.169 -4.889 8.153 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.605 -4.077 11.671 1.00 0.00 O ATOM 0 H GLU A 56 -2.281 -2.622 9.484 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.955 -2.614 8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.319 -4.222 7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.069 -4.879 9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.477 -6.363 8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.359 -5.753 9.591 1.00 0.00 H new ATOM 862 N MET B 1 6.638 18.608 -2.207 1.00 0.00 N ATOM 863 CA MET B 1 7.374 17.802 -1.198 1.00 0.00 C ATOM 864 C MET B 1 6.996 16.328 -1.288 1.00 0.00 C ATOM 865 O MET B 1 5.883 15.983 -1.686 1.00 0.00 O ATOM 866 CB MET B 1 7.045 18.345 0.195 1.00 0.00 C ATOM 867 CG MET B 1 7.739 17.594 1.321 1.00 0.00 C ATOM 868 SD MET B 1 9.538 17.655 1.188 1.00 0.00 S ATOM 869 CE MET B 1 10.016 16.689 2.619 1.00 0.00 C ATOM 0 H1 MET B 1 7.303 18.950 -2.930 1.00 0.00 H new ATOM 0 H2 MET B 1 5.909 18.019 -2.658 1.00 0.00 H new ATOM 0 H3 MET B 1 6.186 19.420 -1.740 1.00 0.00 H new ATOM 0 HA MET B 1 8.444 17.880 -1.390 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.328 19.396 0.242 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.967 18.298 0.349 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.434 18.018 2.278 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.413 16.554 1.315 1.00 0.00 H new ATOM 0 HE1 MET B 1 11.077 16.837 2.820 1.00 0.00 H new ATOM 0 HE2 MET B 1 9.435 17.008 3.484 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.827 15.633 2.425 1.00 0.00 H new ATOM 881 N GLN B 2 7.928 15.462 -0.907 1.00 0.00 N ATOM 882 CA GLN B 2 7.696 14.025 -0.932 1.00 0.00 C ATOM 883 C GLN B 2 7.522 13.490 0.484 1.00 0.00 C ATOM 884 O GLN B 2 8.175 13.958 1.417 1.00 0.00 O ATOM 885 CB GLN B 2 8.863 13.313 -1.620 1.00 0.00 C ATOM 886 CG GLN B 2 8.696 11.802 -1.691 1.00 0.00 C ATOM 887 CD GLN B 2 9.860 11.090 -2.370 1.00 0.00 C ATOM 888 OE1 GLN B 2 9.853 9.866 -2.497 1.00 0.00 O ATOM 889 NE2 GLN B 2 10.867 11.843 -2.811 1.00 0.00 N ATOM 0 H GLN B 2 8.854 15.733 -0.576 1.00 0.00 H new ATOM 0 HA GLN B 2 6.782 13.832 -1.494 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.973 13.706 -2.631 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.785 13.544 -1.086 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.581 11.410 -0.681 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.776 11.571 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN B 2 10.839 12.855 -2.688 1.00 0.00 H new ATOM 0 HE22 GLN B 2 11.666 11.407 -3.271 1.00 0.00 H new ATOM 898 N TYR B 3 6.640 12.509 0.643 1.00 0.00 N ATOM 899 CA TYR B 3 6.391 11.919 1.951 1.00 0.00 C ATOM 900 C TYR B 3 6.517 10.405 1.893 1.00 0.00 C ATOM 901 O TYR B 3 6.197 9.785 0.878 1.00 0.00 O ATOM 902 CB TYR B 3 5.003 12.316 2.457 1.00 0.00 C ATOM 903 CG TYR B 3 4.839 13.806 2.656 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.840 14.674 1.572 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.686 14.343 3.928 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.694 16.036 1.749 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.540 15.704 4.113 1.00 0.00 C ATOM 908 CZ TYR B 3 4.544 16.547 3.020 1.00 0.00 C ATOM 909 OH TYR B 3 4.399 17.905 3.198 1.00 0.00 O ATOM 0 H TYR B 3 6.088 12.108 -0.115 1.00 0.00 H new ATOM 0 HA TYR B 3 7.140 12.299 2.645 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.252 11.967 1.748 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.810 11.807 3.402 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.957 14.278 0.574 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.681 13.686 4.785 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.697 16.697 0.895 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.423 16.107 5.108 1.00 0.00 H new ATOM 0 HH TYR B 3 4.876 18.381 2.486 1.00 0.00 H new ATOM 919 N LYS B 4 6.985 9.813 2.984 1.00 0.00 N ATOM 920 CA LYS B 4 7.153 8.367 3.049 1.00 0.00 C ATOM 921 C LYS B 4 6.042 7.734 3.873 1.00 0.00 C ATOM 922 O LYS B 4 6.000 7.882 5.092 1.00 0.00 O ATOM 923 CB LYS B 4 8.516 8.015 3.646 1.00 0.00 C ATOM 924 CG LYS B 4 8.816 6.523 3.643 1.00 0.00 C ATOM 925 CD LYS B 4 10.178 6.226 4.251 1.00 0.00 C ATOM 926 CE LYS B 4 10.496 4.738 4.216 1.00 0.00 C ATOM 927 NZ LYS B 4 10.580 4.216 2.823 1.00 0.00 N ATOM 0 H LYS B 4 7.254 10.310 3.833 1.00 0.00 H new ATOM 0 HA LYS B 4 7.101 7.972 2.035 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.294 8.534 3.086 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.561 8.384 4.671 1.00 0.00 H new ATOM 0 HG2 LYS B 4 8.044 5.995 4.202 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.783 6.146 2.621 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.947 6.776 3.708 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.202 6.579 5.282 1.00 0.00 H new ATOM 0 HE2 LYS B 4 11.441 4.557 4.728 1.00 0.00 H new ATOM 0 HE3 LYS B 4 9.728 4.191 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 11.009 3.269 2.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 9.625 4.160 2.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 11.165 4.855 2.248 1.00 0.00 H new ATOM 941 N VAL B 5 5.146 7.024 3.202 1.00 0.00 N ATOM 942 CA VAL B 5 4.038 6.364 3.876 1.00 0.00 C ATOM 943 C VAL B 5 4.391 4.916 4.191 1.00 0.00 C ATOM 944 O VAL B 5 4.882 4.186 3.335 1.00 0.00 O ATOM 945 CB VAL B 5 2.753 6.406 3.024 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.594 5.754 3.762 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.413 7.839 2.645 1.00 0.00 C ATOM 0 H VAL B 5 5.165 6.891 2.191 1.00 0.00 H new ATOM 0 HA VAL B 5 3.854 6.904 4.805 1.00 0.00 H new ATOM 0 HB VAL B 5 2.930 5.841 2.109 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.698 5.795 3.142 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.839 4.714 3.977 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.413 6.285 4.697 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.504 7.850 2.044 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.258 8.427 3.549 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.234 8.268 2.070 1.00 0.00 H new ATOM 957 N ILE B 6 4.149 4.512 5.429 1.00 0.00 N ATOM 958 CA ILE B 6 4.448 3.157 5.864 1.00 0.00 C ATOM 959 C ILE B 6 3.181 2.321 5.981 1.00 0.00 C ATOM 960 O ILE B 6 2.310 2.598 6.806 1.00 0.00 O ATOM 961 CB ILE B 6 5.199 3.162 7.215 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.611 3.719 7.030 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.255 1.765 7.820 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.385 3.850 8.323 1.00 0.00 C ATOM 0 H ILE B 6 3.745 5.107 6.152 1.00 0.00 H new ATOM 0 HA ILE B 6 5.090 2.708 5.106 1.00 0.00 H new ATOM 0 HB ILE B 6 4.651 3.804 7.905 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.163 3.069 6.350 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.547 4.697 6.554 1.00 0.00 H new ATOM 0 HG21 ILE B 6 5.789 1.801 8.769 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.242 1.400 7.987 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.774 1.093 7.137 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.377 4.251 8.114 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.856 4.523 8.997 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.481 2.870 8.791 1.00 0.00 H new ATOM 976 N LEU B 7 3.095 1.287 5.157 1.00 0.00 N ATOM 977 CA LEU B 7 1.951 0.391 5.165 1.00 0.00 C ATOM 978 C LEU B 7 2.253 -0.809 6.055 1.00 0.00 C ATOM 979 O LEU B 7 2.702 -1.856 5.588 1.00 0.00 O ATOM 980 CB LEU B 7 1.622 -0.040 3.731 1.00 0.00 C ATOM 981 CG LEU B 7 0.967 1.041 2.874 1.00 0.00 C ATOM 982 CD1 LEU B 7 0.771 0.547 1.447 1.00 0.00 C ATOM 983 CD2 LEU B 7 -0.364 1.458 3.485 1.00 0.00 C ATOM 0 H LEU B 7 3.810 1.048 4.470 1.00 0.00 H new ATOM 0 HA LEU B 7 1.078 0.903 5.569 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.542 -0.363 3.243 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.960 -0.905 3.769 1.00 0.00 H new ATOM 0 HG LEU B 7 1.624 1.910 2.845 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.303 1.331 0.852 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.738 0.291 1.014 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.131 -0.335 1.452 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.823 2.229 2.866 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.026 0.594 3.538 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.197 1.850 4.488 1.00 0.00 H new ATOM 995 N ASN B 8 2.040 -0.617 7.356 1.00 0.00 N ATOM 996 CA ASN B 8 2.320 -1.638 8.362 1.00 0.00 C ATOM 997 C ASN B 8 1.092 -2.472 8.715 1.00 0.00 C ATOM 998 O ASN B 8 0.183 -1.998 9.392 1.00 0.00 O ATOM 999 CB ASN B 8 2.850 -0.953 9.623 1.00 0.00 C ATOM 1000 CG ASN B 8 3.256 -1.932 10.703 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.453 -1.738 11.245 1.00 0.00 O flip ATOM 1002 ND2 ASN B 8 2.502 -2.836 11.059 1.00 0.00 N flip ATOM 0 H ASN B 8 1.668 0.251 7.741 1.00 0.00 H new ATOM 0 HA ASN B 8 3.060 -2.321 7.945 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.708 -0.334 9.360 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.084 -0.285 10.016 1.00 0.00 H new ATOM 0 HD21 ASN B 8 1.591 -2.946 10.613 1.00 0.00 H new ATOM 0 HD22 ASN B 8 2.787 -3.476 11.800 1.00 0.00 H new ATOM 1009 N GLY B 9 1.077 -3.724 8.269 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.039 -4.605 8.569 1.00 0.00 C ATOM 1011 C GLY B 9 0.381 -5.796 9.405 1.00 0.00 C ATOM 1012 O GLY B 9 1.510 -5.855 9.889 1.00 0.00 O ATOM 0 H GLY B 9 1.816 -4.145 7.706 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.810 -4.045 9.099 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.483 -4.956 7.638 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.528 -6.751 9.565 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.244 -7.951 10.336 1.00 0.00 C ATOM 1018 C LYS B 10 0.492 -8.968 9.472 1.00 0.00 C ATOM 1019 O LYS B 10 1.573 -9.442 9.824 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.545 -8.563 10.866 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.354 -7.620 11.743 1.00 0.00 C ATOM 1022 CD LYS B 10 -3.649 -8.267 12.212 1.00 0.00 C ATOM 1023 CE LYS B 10 -4.541 -8.643 11.039 1.00 0.00 C ATOM 1024 NZ LYS B 10 -5.827 -9.247 11.489 1.00 0.00 N ATOM 0 H LYS B 10 -1.468 -6.716 9.170 1.00 0.00 H new ATOM 0 HA LYS B 10 0.388 -7.679 11.182 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.159 -8.875 10.021 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.307 -9.461 11.437 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -1.759 -7.326 12.608 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -2.581 -6.710 11.188 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -3.421 -9.158 12.797 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -4.182 -7.581 12.871 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -4.747 -7.756 10.440 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -4.015 -9.347 10.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -6.406 -9.489 10.660 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -5.632 -10.108 12.039 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -6.341 -8.566 12.083 1.00 0.00 H new ATOM 1038 N THR B 11 -0.112 -9.299 8.337 1.00 0.00 N ATOM 1039 CA THR B 11 0.452 -10.252 7.402 1.00 0.00 C ATOM 1040 C THR B 11 1.133 -9.541 6.241 1.00 0.00 C ATOM 1041 O THR B 11 1.697 -10.180 5.352 1.00 0.00 O ATOM 1042 CB THR B 11 -0.662 -11.147 6.870 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.820 -10.380 6.585 1.00 0.00 O ATOM 1044 CG2 THR B 11 -1.060 -12.251 7.824 1.00 0.00 C ATOM 0 H THR B 11 -1.008 -8.911 8.043 1.00 0.00 H new ATOM 0 HA THR B 11 1.200 -10.851 7.921 1.00 0.00 H new ATOM 0 HB THR B 11 -0.258 -11.608 5.969 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.618 -10.877 6.861 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.857 -12.847 7.379 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.198 -12.888 8.023 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.412 -11.815 8.759 1.00 0.00 H new ATOM 1052 N LEU B 12 1.071 -8.214 6.243 1.00 0.00 N ATOM 1053 CA LEU B 12 1.674 -7.430 5.181 1.00 0.00 C ATOM 1054 C LEU B 12 2.520 -6.291 5.742 1.00 0.00 C ATOM 1055 O LEU B 12 2.093 -5.559 6.634 1.00 0.00 O ATOM 1056 CB LEU B 12 0.582 -6.899 4.246 1.00 0.00 C ATOM 1057 CG LEU B 12 1.076 -6.055 3.078 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.230 -6.754 2.385 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.055 -5.787 2.095 1.00 0.00 C ATOM 0 H LEU B 12 0.610 -7.664 6.967 1.00 0.00 H new ATOM 0 HA LEU B 12 2.343 -8.075 4.610 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.023 -7.747 3.849 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.117 -6.303 4.833 1.00 0.00 H new ATOM 0 HG LEU B 12 1.426 -5.097 3.462 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.577 -6.144 1.551 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.046 -6.899 3.093 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.897 -7.723 2.012 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.317 -5.183 1.268 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.435 -6.734 1.711 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.858 -5.252 2.602 1.00 0.00 H new ATOM 1071 N LYS B 13 3.728 -6.162 5.204 1.00 0.00 N ATOM 1072 CA LYS B 13 4.668 -5.128 5.626 1.00 0.00 C ATOM 1073 C LYS B 13 5.238 -4.418 4.403 1.00 0.00 C ATOM 1074 O LYS B 13 5.728 -5.072 3.483 1.00 0.00 O ATOM 1075 CB LYS B 13 5.809 -5.758 6.428 1.00 0.00 C ATOM 1076 CG LYS B 13 5.346 -6.579 7.621 1.00 0.00 C ATOM 1077 CD LYS B 13 4.885 -5.695 8.768 1.00 0.00 C ATOM 1078 CE LYS B 13 6.040 -4.898 9.349 1.00 0.00 C ATOM 1079 NZ LYS B 13 5.633 -4.123 10.552 1.00 0.00 N ATOM 0 H LYS B 13 4.083 -6.769 4.465 1.00 0.00 H new ATOM 0 HA LYS B 13 4.143 -4.406 6.252 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.395 -6.396 5.767 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.472 -4.968 6.779 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.530 -7.235 7.317 1.00 0.00 H new ATOM 0 HG3 LYS B 13 6.160 -7.219 7.960 1.00 0.00 H new ATOM 0 HD2 LYS B 13 4.111 -5.013 8.416 1.00 0.00 H new ATOM 0 HD3 LYS B 13 4.437 -6.311 9.548 1.00 0.00 H new ATOM 0 HE2 LYS B 13 6.852 -5.576 9.612 1.00 0.00 H new ATOM 0 HE3 LYS B 13 6.427 -4.216 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.397 -4.150 11.257 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 5.446 -3.136 10.282 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 4.771 -4.540 10.959 1.00 0.00 H new ATOM 1093 N GLY B 14 5.176 -3.090 4.382 1.00 0.00 N ATOM 1094 CA GLY B 14 5.699 -2.365 3.238 1.00 0.00 C ATOM 1095 C GLY B 14 5.861 -0.878 3.477 1.00 0.00 C ATOM 1096 O GLY B 14 5.483 -0.359 4.526 1.00 0.00 O ATOM 0 H GLY B 14 4.780 -2.511 5.123 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.666 -2.787 2.964 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.033 -2.516 2.389 1.00 0.00 H new ATOM 1100 N GLU B 15 6.419 -0.197 2.479 1.00 0.00 N ATOM 1101 CA GLU B 15 6.633 1.241 2.544 1.00 0.00 C ATOM 1102 C GLU B 15 6.323 1.872 1.191 1.00 0.00 C ATOM 1103 O GLU B 15 6.637 1.304 0.145 1.00 0.00 O ATOM 1104 CB GLU B 15 8.076 1.565 2.951 1.00 0.00 C ATOM 1105 CG GLU B 15 8.520 0.902 4.246 1.00 0.00 C ATOM 1106 CD GLU B 15 9.147 -0.462 4.028 1.00 0.00 C ATOM 1107 OE1 GLU B 15 8.472 -1.349 3.465 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.317 -0.644 4.423 1.00 0.00 O ATOM 0 H GLU B 15 6.733 -0.626 1.609 1.00 0.00 H new ATOM 0 HA GLU B 15 5.964 1.653 3.300 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.746 1.256 2.149 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.179 2.645 3.054 1.00 0.00 H new ATOM 0 HG2 GLU B 15 9.237 1.549 4.752 1.00 0.00 H new ATOM 0 HG3 GLU B 15 7.661 0.799 4.909 1.00 0.00 H new ATOM 1115 N THR B 16 5.694 3.037 1.218 1.00 0.00 N ATOM 1116 CA THR B 16 5.328 3.738 -0.005 1.00 0.00 C ATOM 1117 C THR B 16 5.614 5.237 0.111 1.00 0.00 C ATOM 1118 O THR B 16 5.890 5.737 1.198 1.00 0.00 O ATOM 1119 CB THR B 16 3.853 3.483 -0.326 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.359 4.471 -1.196 1.00 0.00 O ATOM 1121 CG2 THR B 16 2.959 3.454 0.896 1.00 0.00 C ATOM 0 H THR B 16 5.425 3.519 2.076 1.00 0.00 H new ATOM 0 HA THR B 16 5.937 3.354 -0.823 1.00 0.00 H new ATOM 0 HB THR B 16 3.828 2.496 -0.788 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.651 4.089 -1.756 1.00 0.00 H new ATOM 0 HG21 THR B 16 1.930 3.269 0.589 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.286 2.660 1.567 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.017 4.412 1.412 1.00 0.00 H new ATOM 1129 N THR B 17 5.568 5.944 -1.020 1.00 0.00 N ATOM 1130 CA THR B 17 5.846 7.384 -1.030 1.00 0.00 C ATOM 1131 C THR B 17 4.975 8.153 -2.029 1.00 0.00 C ATOM 1132 O THR B 17 5.036 7.919 -3.235 1.00 0.00 O ATOM 1133 CB THR B 17 7.321 7.629 -1.351 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.660 7.077 -2.611 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.262 7.041 -0.323 1.00 0.00 C ATOM 0 H THR B 17 5.343 5.549 -1.933 1.00 0.00 H new ATOM 0 HA THR B 17 5.605 7.756 -0.034 1.00 0.00 H new ATOM 0 HB THR B 17 7.440 8.712 -1.351 1.00 0.00 H new ATOM 0 HG1 THR B 17 7.027 6.364 -2.837 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.292 7.251 -0.611 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.060 7.485 0.652 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.113 5.963 -0.268 1.00 0.00 H new ATOM 1143 N THR B 18 4.191 9.097 -1.510 1.00 0.00 N ATOM 1144 CA THR B 18 3.323 9.944 -2.333 1.00 0.00 C ATOM 1145 C THR B 18 3.910 11.351 -2.410 1.00 0.00 C ATOM 1146 O THR B 18 4.493 11.839 -1.442 1.00 0.00 O ATOM 1147 CB THR B 18 1.916 10.008 -1.735 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.069 10.813 -2.539 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.888 10.574 -0.333 1.00 0.00 C ATOM 0 H THR B 18 4.138 9.297 -0.511 1.00 0.00 H new ATOM 0 HA THR B 18 3.259 9.516 -3.334 1.00 0.00 H new ATOM 0 HB THR B 18 1.568 8.976 -1.700 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.298 10.687 -3.483 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.861 10.592 0.032 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.496 9.951 0.323 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.287 11.588 -0.342 1.00 0.00 H new ATOM 1157 N GLU B 19 3.749 12.003 -3.553 1.00 0.00 N ATOM 1158 CA GLU B 19 4.263 13.356 -3.732 1.00 0.00 C ATOM 1159 C GLU B 19 3.116 14.359 -3.698 1.00 0.00 C ATOM 1160 O GLU B 19 2.222 14.316 -4.545 1.00 0.00 O ATOM 1161 CB GLU B 19 5.024 13.460 -5.059 1.00 0.00 C ATOM 1162 CG GLU B 19 5.752 14.781 -5.255 1.00 0.00 C ATOM 1163 CD GLU B 19 4.812 15.960 -5.417 1.00 0.00 C ATOM 1164 OE1 GLU B 19 4.007 15.952 -6.371 1.00 0.00 O ATOM 1165 OE2 GLU B 19 4.882 16.892 -4.587 1.00 0.00 O ATOM 0 H GLU B 19 3.269 11.620 -4.368 1.00 0.00 H new ATOM 0 HA GLU B 19 4.951 13.584 -2.918 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.748 12.647 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.322 13.319 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.405 14.959 -4.401 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.391 14.710 -6.135 1.00 0.00 H new ATOM 1172 N ALA B 20 3.129 15.256 -2.713 1.00 0.00 N ATOM 1173 CA ALA B 20 2.068 16.244 -2.587 1.00 0.00 C ATOM 1174 C ALA B 20 2.567 17.554 -1.972 1.00 0.00 C ATOM 1175 O ALA B 20 3.556 17.579 -1.241 1.00 0.00 O ATOM 1176 CB ALA B 20 0.929 15.673 -1.760 1.00 0.00 C ATOM 0 H ALA B 20 3.856 15.316 -2.000 1.00 0.00 H new ATOM 0 HA ALA B 20 1.712 16.476 -3.591 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.137 16.417 -1.669 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.535 14.782 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.296 15.410 -0.768 1.00 0.00 H new ATOM 1182 N VAL B 21 1.875 18.639 -2.308 1.00 0.00 N ATOM 1183 CA VAL B 21 2.232 19.975 -1.832 1.00 0.00 C ATOM 1184 C VAL B 21 2.423 20.016 -0.315 1.00 0.00 C ATOM 1185 O VAL B 21 3.191 20.830 0.197 1.00 0.00 O ATOM 1186 CB VAL B 21 1.150 21.002 -2.220 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.598 22.414 -1.873 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.807 20.884 -3.696 1.00 0.00 C ATOM 0 H VAL B 21 1.055 18.619 -2.914 1.00 0.00 H new ATOM 0 HA VAL B 21 3.178 20.229 -2.310 1.00 0.00 H new ATOM 0 HB VAL B 21 0.249 20.787 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.819 23.123 -2.155 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.781 22.484 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.515 22.648 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.042 21.617 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.700 21.069 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.433 19.881 -3.904 1.00 0.00 H new ATOM 1198 N ASP B 22 1.735 19.132 0.399 1.00 0.00 N ATOM 1199 CA ASP B 22 1.857 19.082 1.853 1.00 0.00 C ATOM 1200 C ASP B 22 1.508 17.698 2.387 1.00 0.00 C ATOM 1201 O ASP B 22 1.033 16.838 1.647 1.00 0.00 O ATOM 1202 CB ASP B 22 0.977 20.151 2.509 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.503 19.900 2.312 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.006 18.891 2.846 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.157 20.713 1.626 1.00 0.00 O ATOM 0 H ASP B 22 1.093 18.446 0.001 1.00 0.00 H new ATOM 0 HA ASP B 22 2.896 19.289 2.108 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.195 20.188 3.576 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.233 21.127 2.097 1.00 0.00 H new ATOM 1210 N ALA B 23 1.758 17.485 3.675 1.00 0.00 N ATOM 1211 CA ALA B 23 1.481 16.202 4.304 1.00 0.00 C ATOM 1212 C ALA B 23 0.020 15.814 4.160 1.00 0.00 C ATOM 1213 O ALA B 23 -0.297 14.660 3.882 1.00 0.00 O ATOM 1214 CB ALA B 23 1.884 16.230 5.770 1.00 0.00 C ATOM 0 H ALA B 23 2.152 18.186 4.302 1.00 0.00 H new ATOM 0 HA ALA B 23 2.076 15.446 3.791 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.670 15.263 6.225 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.950 16.441 5.850 1.00 0.00 H new ATOM 0 HB3 ALA B 23 1.321 17.007 6.287 1.00 0.00 H new ATOM 1220 N ALA B 24 -0.869 16.781 4.338 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.295 16.520 4.210 1.00 0.00 C ATOM 1222 C ALA B 24 -2.618 16.103 2.784 1.00 0.00 C ATOM 1223 O ALA B 24 -3.188 15.039 2.555 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.104 17.741 4.619 1.00 0.00 C ATOM 0 H ALA B 24 -0.631 17.745 4.570 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.566 15.704 4.880 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.167 17.524 4.516 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -2.884 17.992 5.657 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.841 18.583 3.978 1.00 0.00 H new ATOM 1230 N THR B 25 -2.225 16.935 1.820 1.00 0.00 N ATOM 1231 CA THR B 25 -2.449 16.628 0.421 1.00 0.00 C ATOM 1232 C THR B 25 -1.913 15.239 0.124 1.00 0.00 C ATOM 1233 O THR B 25 -2.587 14.418 -0.499 1.00 0.00 O ATOM 1234 CB THR B 25 -1.765 17.669 -0.464 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.376 17.714 -0.213 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.313 19.069 -0.284 1.00 0.00 C ATOM 0 H THR B 25 -1.752 17.823 1.989 1.00 0.00 H new ATOM 0 HA THR B 25 -3.518 16.652 0.208 1.00 0.00 H new ATOM 0 HB THR B 25 -1.968 17.348 -1.486 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.204 17.463 0.719 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.781 19.755 -0.943 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.375 19.079 -0.531 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.178 19.382 0.751 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.704 14.973 0.612 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.088 13.668 0.435 1.00 0.00 C ATOM 1246 C ALA B 26 -0.958 12.607 1.090 1.00 0.00 C ATOM 1247 O ALA B 26 -1.323 11.613 0.462 1.00 0.00 O ATOM 1248 CB ALA B 26 1.313 13.655 1.028 1.00 0.00 C ATOM 0 H ALA B 26 -0.136 15.643 1.131 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.003 13.452 -0.630 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.759 12.670 0.886 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.926 14.406 0.530 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.259 13.879 2.093 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.308 12.833 2.359 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.157 11.907 3.096 1.00 0.00 C ATOM 1256 C GLU B 27 -3.440 11.632 2.322 1.00 0.00 C ATOM 1257 O GLU B 27 -3.853 10.483 2.175 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.479 12.472 4.484 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.333 11.549 5.341 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.803 11.585 4.973 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -5.190 12.428 4.137 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -5.574 10.779 5.536 1.00 0.00 O ATOM 0 H GLU B 27 -1.014 13.651 2.893 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.621 10.966 3.220 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.545 12.678 5.008 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -2.995 13.425 4.367 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -2.965 10.528 5.242 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.220 11.828 6.389 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.057 12.697 1.817 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.286 12.573 1.044 1.00 0.00 C ATOM 1271 C LYS B 28 -5.038 11.753 -0.213 1.00 0.00 C ATOM 1272 O LYS B 28 -5.833 10.883 -0.569 1.00 0.00 O ATOM 1273 CB LYS B 28 -5.823 13.954 0.667 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.235 14.791 1.865 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.323 14.101 2.668 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.736 14.925 3.878 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.812 14.259 4.664 1.00 0.00 N ATOM 0 H LYS B 28 -3.725 13.655 1.930 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.028 12.064 1.659 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.059 14.491 0.104 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.681 13.833 0.006 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.369 14.971 2.501 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.590 15.764 1.527 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.191 13.928 2.032 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.969 13.124 2.997 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -6.869 15.090 4.517 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.081 15.905 3.549 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.064 14.853 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.649 14.124 4.062 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.475 13.334 5.000 1.00 0.00 H new ATOM 1291 N VAL B 29 -3.922 12.029 -0.876 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.559 11.311 -2.086 1.00 0.00 C ATOM 1293 C VAL B 29 -3.457 9.821 -1.806 1.00 0.00 C ATOM 1294 O VAL B 29 -3.906 8.995 -2.601 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.223 11.820 -2.663 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.844 11.041 -3.913 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.301 13.310 -2.961 1.00 0.00 C ATOM 0 H VAL B 29 -3.254 12.746 -0.594 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.342 11.490 -2.822 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.446 11.661 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.898 11.417 -4.303 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.740 9.984 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.622 11.163 -4.667 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.348 13.650 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.092 13.495 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.518 13.854 -2.042 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.890 9.485 -0.655 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.762 8.096 -0.254 1.00 0.00 C ATOM 1309 C VAL B 30 -4.153 7.485 -0.117 1.00 0.00 C ATOM 1310 O VAL B 30 -4.413 6.390 -0.612 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.998 7.964 1.078 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.872 6.508 1.495 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.625 8.609 0.968 1.00 0.00 C ATOM 0 H VAL B 30 -2.513 10.156 0.014 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.194 7.565 -1.018 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.567 8.485 1.848 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.329 6.445 2.438 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.866 6.078 1.620 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.331 5.955 0.727 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.098 8.507 1.917 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.054 8.117 0.181 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.738 9.666 0.727 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.059 8.212 0.547 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.431 7.739 0.726 1.00 0.00 C ATOM 1325 C LYS B 31 -6.993 7.260 -0.600 1.00 0.00 C ATOM 1326 O LYS B 31 -7.490 6.141 -0.713 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.331 8.844 1.285 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.865 9.414 2.612 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.821 8.356 3.703 1.00 0.00 C ATOM 1330 CE LYS B 31 -8.171 8.197 4.385 1.00 0.00 C ATOM 1331 NZ LYS B 31 -9.232 7.762 3.436 1.00 0.00 N ATOM 0 H LYS B 31 -4.867 9.122 0.965 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.409 6.915 1.439 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.390 9.652 0.556 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.340 8.449 1.406 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -5.874 9.851 2.491 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.534 10.220 2.915 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -6.516 7.402 3.273 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.069 8.627 4.443 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.086 7.468 5.191 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.460 9.144 4.841 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.016 7.330 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.584 8.586 2.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -8.839 7.066 2.771 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.898 8.121 -1.607 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.385 7.792 -2.938 1.00 0.00 C ATOM 1347 C GLN B 32 -6.697 6.534 -3.444 1.00 0.00 C ATOM 1348 O GLN B 32 -7.314 5.685 -4.090 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.133 8.959 -3.895 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.786 8.784 -5.257 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.308 8.744 -5.206 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.894 9.029 -4.043 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.957 8.475 -6.217 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.488 9.051 -1.525 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.459 7.610 -2.889 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.503 9.877 -3.440 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.058 9.081 -4.030 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.474 9.602 -5.907 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.422 7.861 -5.709 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.475 8.262 -7.090 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.976 8.465 -6.181 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.410 6.419 -3.132 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.614 5.265 -3.531 1.00 0.00 C ATOM 1364 C PHE B 33 -5.307 3.972 -3.097 1.00 0.00 C ATOM 1365 O PHE B 33 -5.749 3.176 -3.924 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.218 5.366 -2.901 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.224 4.402 -3.470 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.810 4.526 -4.783 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.714 3.364 -2.699 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.906 3.635 -5.323 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.807 2.474 -3.237 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.405 2.609 -4.551 1.00 0.00 C ATOM 0 H PHE B 33 -4.893 7.118 -2.599 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.514 5.251 -4.616 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.843 6.381 -3.034 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.301 5.195 -1.828 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -2.198 5.329 -5.392 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.030 3.253 -1.672 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.591 3.741 -6.351 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.412 1.672 -2.631 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.302 1.911 -4.974 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.404 3.792 -1.786 1.00 0.00 N ATOM 1383 CA PHE B 34 -6.048 2.616 -1.209 1.00 0.00 C ATOM 1384 C PHE B 34 -7.535 2.614 -1.526 1.00 0.00 C ATOM 1385 O PHE B 34 -8.121 1.571 -1.812 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.794 2.579 0.292 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.328 2.584 0.594 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.491 1.671 -0.023 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.782 3.510 1.463 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.135 1.681 0.221 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.424 3.522 1.716 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.602 2.606 1.092 1.00 0.00 C ATOM 0 H PHE B 34 -5.042 4.451 -1.096 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.621 1.715 -1.650 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.268 3.439 0.765 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.253 1.687 0.719 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.905 0.942 -0.704 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.423 4.231 1.949 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.491 0.966 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -2.007 4.246 2.400 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.540 2.614 1.287 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.136 3.796 -1.499 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.551 3.949 -1.811 1.00 0.00 C ATOM 1404 C ASN B 35 -9.875 3.259 -3.133 1.00 0.00 C ATOM 1405 O ASN B 35 -10.919 2.624 -3.287 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.886 5.437 -1.916 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.348 5.697 -2.199 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.940 5.093 -3.093 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.927 6.626 -1.453 1.00 0.00 N ATOM 0 H ASN B 35 -7.662 4.668 -1.263 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.144 3.492 -1.019 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.608 5.932 -0.986 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.284 5.884 -2.707 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.906 6.868 -1.608 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.394 7.099 -0.723 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.957 3.405 -4.082 1.00 0.00 N ATOM 1417 CA ASP B 36 -9.109 2.814 -5.408 1.00 0.00 C ATOM 1418 C ASP B 36 -8.419 1.455 -5.524 1.00 0.00 C ATOM 1419 O ASP B 36 -8.790 0.643 -6.371 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.572 3.763 -6.477 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.326 5.078 -6.514 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.553 5.050 -6.747 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.691 6.133 -6.311 1.00 0.00 O ATOM 0 H ASP B 36 -8.093 3.932 -3.956 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.176 2.653 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.516 3.958 -6.289 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.638 3.282 -7.453 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.432 1.193 -4.671 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.734 -0.091 -4.706 1.00 0.00 C ATOM 1430 C ASN B 37 -7.584 -1.152 -4.025 1.00 0.00 C ATOM 1431 O ASN B 37 -7.759 -2.254 -4.544 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.369 -0.006 -4.013 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.402 0.920 -4.725 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.300 0.902 -5.950 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.658 1.709 -3.955 1.00 0.00 N ATOM 0 H ASN B 37 -7.100 1.841 -3.957 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.569 -0.358 -5.750 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.508 0.340 -2.989 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.933 -1.004 -3.956 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.969 2.332 -4.377 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.776 1.691 -2.942 1.00 0.00 H new ATOM 1442 N GLY B 38 -8.108 -0.778 -2.859 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.957 -1.642 -2.051 1.00 0.00 C ATOM 1444 C GLY B 38 -9.294 -2.991 -2.663 1.00 0.00 C ATOM 1445 O GLY B 38 -8.421 -3.835 -2.857 1.00 0.00 O ATOM 0 H GLY B 38 -7.952 0.142 -2.448 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.466 -1.811 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.888 -1.115 -1.843 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.586 -3.215 -2.880 1.00 0.00 N ATOM 1450 CA VAL B 39 -11.070 -4.501 -3.382 1.00 0.00 C ATOM 1451 C VAL B 39 -11.482 -4.494 -4.855 1.00 0.00 C ATOM 1452 O VAL B 39 -11.889 -5.534 -5.374 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.288 -4.952 -2.556 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.727 -6.358 -2.940 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.984 -4.861 -1.069 1.00 0.00 C ATOM 0 H VAL B 39 -11.319 -2.524 -2.717 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.226 -5.184 -3.286 1.00 0.00 H new ATOM 0 HB VAL B 39 -13.116 -4.279 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.589 -6.647 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.997 -6.379 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.909 -7.056 -2.761 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.855 -5.183 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.137 -5.504 -0.831 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.742 -3.830 -0.810 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.398 -3.361 -5.546 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.795 -3.329 -6.955 1.00 0.00 C ATOM 1467 C ASP B 40 -10.684 -2.785 -7.855 1.00 0.00 C ATOM 1468 O ASP B 40 -10.939 -2.397 -8.995 1.00 0.00 O ATOM 1469 CB ASP B 40 -13.058 -2.482 -7.125 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.231 -3.033 -6.339 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.623 -4.192 -6.592 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.757 -2.306 -5.470 1.00 0.00 O ATOM 0 H ASP B 40 -11.068 -2.473 -5.168 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.994 -4.356 -7.259 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.854 -1.461 -6.802 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.322 -2.435 -8.182 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.456 -2.750 -7.345 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.344 -2.240 -8.130 1.00 0.00 C ATOM 1479 C GLY B 41 -7.858 -3.218 -9.185 1.00 0.00 C ATOM 1480 O GLY B 41 -8.181 -4.406 -9.139 1.00 0.00 O ATOM 0 H GLY B 41 -9.211 -3.064 -6.406 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.646 -1.312 -8.616 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.518 -1.996 -7.462 1.00 0.00 H new ATOM 1484 N GLU B 42 -7.065 -2.716 -10.131 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.512 -3.545 -11.199 1.00 0.00 C ATOM 1486 C GLU B 42 -5.144 -4.082 -10.793 1.00 0.00 C ATOM 1487 O GLU B 42 -4.143 -3.367 -10.846 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.393 -2.737 -12.494 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.721 -2.203 -13.003 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.579 -1.413 -14.290 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -6.440 -1.284 -14.787 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -8.608 -0.924 -14.803 1.00 0.00 O ATOM 0 H GLU B 42 -6.791 -1.735 -10.178 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.186 -4.385 -11.370 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.714 -1.900 -12.329 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.944 -3.365 -13.264 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.404 -3.036 -13.166 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -8.169 -1.568 -12.239 1.00 0.00 H new ATOM 1499 N TRP B 43 -5.115 -5.337 -10.351 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.876 -5.958 -9.894 1.00 0.00 C ATOM 1501 C TRP B 43 -3.273 -6.898 -10.935 1.00 0.00 C ATOM 1502 O TRP B 43 -3.909 -7.864 -11.356 1.00 0.00 O ATOM 1503 CB TRP B 43 -4.135 -6.749 -8.615 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.662 -5.932 -7.474 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.427 -4.800 -7.542 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.463 -6.198 -6.085 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.712 -4.350 -6.275 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.130 -5.192 -5.365 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.782 -7.194 -5.384 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.136 -5.156 -3.975 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.788 -7.158 -4.005 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.462 -6.145 -3.311 1.00 0.00 C ATOM 0 H TRP B 43 -5.934 -5.942 -10.300 1.00 0.00 H new ATOM 0 HA TRP B 43 -3.165 -5.151 -9.715 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.846 -7.546 -8.833 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.206 -7.227 -8.304 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.758 -4.330 -8.456 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.266 -3.524 -6.049 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.260 -7.979 -5.911 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.654 -4.375 -3.438 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.264 -7.923 -3.451 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.450 -6.144 -2.231 1.00 0.00 H new ATOM 1523 N THR B 44 -2.029 -6.628 -11.315 1.00 0.00 N ATOM 1524 CA THR B 44 -1.315 -7.467 -12.272 1.00 0.00 C ATOM 1525 C THR B 44 -0.178 -8.194 -11.558 1.00 0.00 C ATOM 1526 O THR B 44 0.482 -7.622 -10.689 1.00 0.00 O ATOM 1527 CB THR B 44 -0.768 -6.624 -13.424 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.100 -5.614 -12.942 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.851 -5.948 -14.238 1.00 0.00 C ATOM 0 H THR B 44 -1.492 -5.831 -10.973 1.00 0.00 H new ATOM 0 HA THR B 44 -2.006 -8.200 -12.689 1.00 0.00 H new ATOM 0 HB THR B 44 -0.237 -7.326 -14.066 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.881 -6.028 -12.520 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.395 -5.366 -15.039 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.508 -6.704 -14.668 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.431 -5.287 -13.594 1.00 0.00 H new ATOM 1537 N TYR B 45 0.041 -9.460 -11.905 1.00 0.00 N ATOM 1538 CA TYR B 45 1.091 -10.249 -11.264 1.00 0.00 C ATOM 1539 C TYR B 45 2.227 -10.566 -12.232 1.00 0.00 C ATOM 1540 O TYR B 45 1.996 -10.827 -13.413 1.00 0.00 O ATOM 1541 CB TYR B 45 0.500 -11.546 -10.704 1.00 0.00 C ATOM 1542 CG TYR B 45 1.477 -12.367 -9.886 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.455 -11.754 -9.112 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.414 -13.754 -9.884 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.342 -12.500 -8.359 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.299 -14.507 -9.133 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.259 -13.876 -8.373 1.00 0.00 C ATOM 1548 OH TYR B 45 4.141 -14.622 -7.625 1.00 0.00 O ATOM 0 H TYR B 45 -0.489 -9.958 -12.620 1.00 0.00 H new ATOM 0 HA TYR B 45 1.506 -9.656 -10.449 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.362 -11.302 -10.083 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.135 -12.154 -11.532 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.523 -10.676 -9.099 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.662 -14.253 -10.478 1.00 0.00 H new ATOM 0 HE1 TYR B 45 4.096 -12.008 -7.763 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.237 -15.585 -9.143 1.00 0.00 H new ATOM 0 HH TYR B 45 3.710 -15.457 -7.348 1.00 0.00 H new ATOM 1558 N ASP B 46 3.453 -10.549 -11.717 1.00 0.00 N ATOM 1559 CA ASP B 46 4.633 -10.843 -12.523 1.00 0.00 C ATOM 1560 C ASP B 46 5.424 -12.002 -11.919 1.00 0.00 C ATOM 1561 O ASP B 46 6.395 -11.788 -11.191 1.00 0.00 O ATOM 1562 CB ASP B 46 5.521 -9.601 -12.636 1.00 0.00 C ATOM 1563 CG ASP B 46 6.751 -9.844 -13.491 1.00 0.00 C ATOM 1564 OD1 ASP B 46 6.588 -10.178 -14.683 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.875 -9.698 -12.967 1.00 0.00 O ATOM 0 H ASP B 46 3.655 -10.334 -10.741 1.00 0.00 H new ATOM 0 HA ASP B 46 4.303 -11.133 -13.521 1.00 0.00 H new ATOM 0 HB2 ASP B 46 4.942 -8.782 -13.062 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.831 -9.288 -11.639 1.00 0.00 H new ATOM 1570 N ASP B 47 5.000 -13.226 -12.223 1.00 0.00 N ATOM 1571 CA ASP B 47 5.660 -14.425 -11.709 1.00 0.00 C ATOM 1572 C ASP B 47 7.179 -14.331 -11.841 1.00 0.00 C ATOM 1573 O ASP B 47 7.919 -14.845 -11.003 1.00 0.00 O ATOM 1574 CB ASP B 47 5.158 -15.666 -12.454 1.00 0.00 C ATOM 1575 CG ASP B 47 3.668 -15.881 -12.287 1.00 0.00 C ATOM 1576 OD1 ASP B 47 3.222 -16.084 -11.138 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.944 -15.849 -13.305 1.00 0.00 O ATOM 0 H ASP B 47 4.199 -13.415 -12.825 1.00 0.00 H new ATOM 0 HA ASP B 47 5.413 -14.507 -10.650 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.391 -15.568 -13.514 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.691 -16.544 -12.090 1.00 0.00 H new ATOM 1582 N ALA B 48 7.635 -13.688 -12.911 1.00 0.00 N ATOM 1583 CA ALA B 48 9.064 -13.544 -13.171 1.00 0.00 C ATOM 1584 C ALA B 48 9.824 -13.027 -11.952 1.00 0.00 C ATOM 1585 O ALA B 48 10.992 -13.363 -11.757 1.00 0.00 O ATOM 1586 CB ALA B 48 9.288 -12.622 -14.360 1.00 0.00 C ATOM 0 H ALA B 48 7.034 -13.257 -13.614 1.00 0.00 H new ATOM 0 HA ALA B 48 9.455 -14.535 -13.399 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.357 -12.521 -14.546 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.804 -13.042 -15.242 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.863 -11.642 -14.145 1.00 0.00 H new ATOM 1592 N THR B 49 9.169 -12.204 -11.141 1.00 0.00 N ATOM 1593 CA THR B 49 9.810 -11.646 -9.953 1.00 0.00 C ATOM 1594 C THR B 49 8.976 -11.869 -8.694 1.00 0.00 C ATOM 1595 O THR B 49 9.205 -11.222 -7.672 1.00 0.00 O ATOM 1596 CB THR B 49 10.062 -10.150 -10.147 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.846 -9.461 -10.368 1.00 0.00 O ATOM 1598 CG2 THR B 49 10.980 -9.842 -11.309 1.00 0.00 C ATOM 0 H THR B 49 8.203 -11.909 -11.281 1.00 0.00 H new ATOM 0 HA THR B 49 10.758 -12.166 -9.820 1.00 0.00 H new ATOM 0 HB THR B 49 10.543 -9.818 -9.227 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.556 -9.598 -11.294 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.116 -8.763 -11.389 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.947 -10.318 -11.145 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.540 -10.222 -12.231 1.00 0.00 H new ATOM 1606 N LYS B 50 8.009 -12.783 -8.762 1.00 0.00 N ATOM 1607 CA LYS B 50 7.155 -13.068 -7.609 1.00 0.00 C ATOM 1608 C LYS B 50 6.631 -11.769 -7.001 1.00 0.00 C ATOM 1609 O LYS B 50 6.552 -11.628 -5.779 1.00 0.00 O ATOM 1610 CB LYS B 50 7.942 -13.845 -6.550 1.00 0.00 C ATOM 1611 CG LYS B 50 8.468 -15.189 -7.031 1.00 0.00 C ATOM 1612 CD LYS B 50 7.339 -16.174 -7.294 1.00 0.00 C ATOM 1613 CE LYS B 50 6.559 -16.480 -6.026 1.00 0.00 C ATOM 1614 NZ LYS B 50 5.492 -17.489 -6.262 1.00 0.00 N ATOM 0 H LYS B 50 7.798 -13.334 -9.594 1.00 0.00 H new ATOM 0 HA LYS B 50 6.311 -13.670 -7.946 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.782 -13.236 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.302 -14.006 -5.683 1.00 0.00 H new ATOM 0 HG2 LYS B 50 9.047 -15.048 -7.943 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.145 -15.603 -6.284 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.665 -15.764 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.749 -17.098 -7.702 1.00 0.00 H new ATOM 0 HE2 LYS B 50 7.242 -16.846 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS B 50 6.113 -15.562 -5.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 4.940 -17.620 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 4.865 -17.159 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 5.925 -18.394 -6.537 1.00 0.00 H new ATOM 1628 N THR B 51 6.305 -10.811 -7.864 1.00 0.00 N ATOM 1629 CA THR B 51 5.826 -9.512 -7.411 1.00 0.00 C ATOM 1630 C THR B 51 4.509 -9.121 -8.079 1.00 0.00 C ATOM 1631 O THR B 51 4.306 -9.355 -9.271 1.00 0.00 O ATOM 1632 CB THR B 51 6.891 -8.449 -7.695 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.077 -8.723 -6.971 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.457 -7.042 -7.349 1.00 0.00 C ATOM 0 H THR B 51 6.364 -10.911 -8.877 1.00 0.00 H new ATOM 0 HA THR B 51 5.640 -9.579 -6.339 1.00 0.00 H new ATOM 0 HB THR B 51 7.060 -8.499 -8.771 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.458 -9.573 -7.277 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.264 -6.346 -7.578 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.575 -6.779 -7.933 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.219 -6.985 -6.287 1.00 0.00 H new ATOM 1642 N PHE B 52 3.631 -8.498 -7.298 1.00 0.00 N ATOM 1643 CA PHE B 52 2.339 -8.037 -7.797 1.00 0.00 C ATOM 1644 C PHE B 52 2.358 -6.517 -7.932 1.00 0.00 C ATOM 1645 O PHE B 52 2.968 -5.831 -7.120 1.00 0.00 O ATOM 1646 CB PHE B 52 1.214 -8.447 -6.843 1.00 0.00 C ATOM 1647 CG PHE B 52 1.088 -9.930 -6.637 1.00 0.00 C ATOM 1648 CD1 PHE B 52 1.803 -10.568 -5.636 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.245 -10.684 -7.437 1.00 0.00 C ATOM 1650 CE1 PHE B 52 1.682 -11.931 -5.439 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.119 -12.047 -7.244 1.00 0.00 C ATOM 1652 CZ PHE B 52 0.838 -12.671 -6.244 1.00 0.00 C ATOM 0 H PHE B 52 3.793 -8.300 -6.311 1.00 0.00 H new ATOM 0 HA PHE B 52 2.158 -8.495 -8.770 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.381 -7.971 -5.877 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.269 -8.064 -7.228 1.00 0.00 H new ATOM 0 HD1 PHE B 52 2.463 -9.994 -5.002 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.320 -10.201 -8.221 1.00 0.00 H new ATOM 0 HE1 PHE B 52 2.247 -12.417 -4.657 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.541 -12.623 -7.875 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.741 -13.736 -6.091 1.00 0.00 H new ATOM 1662 N THR B 53 1.690 -5.993 -8.951 1.00 0.00 N ATOM 1663 CA THR B 53 1.653 -4.548 -9.157 1.00 0.00 C ATOM 1664 C THR B 53 0.229 -4.009 -9.139 1.00 0.00 C ATOM 1665 O THR B 53 -0.628 -4.443 -9.909 1.00 0.00 O ATOM 1666 CB THR B 53 2.335 -4.167 -10.472 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.011 -5.090 -11.495 1.00 0.00 O ATOM 1668 CG2 THR B 53 3.845 -4.092 -10.369 1.00 0.00 C ATOM 0 H THR B 53 1.172 -6.537 -9.641 1.00 0.00 H new ATOM 0 HA THR B 53 2.197 -4.095 -8.328 1.00 0.00 H new ATOM 0 HB THR B 53 1.959 -3.172 -10.711 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.378 -4.678 -12.119 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.263 -3.817 -11.338 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.122 -3.342 -9.628 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.238 -5.063 -10.067 1.00 0.00 H new ATOM 1676 N VAL B 54 0.001 -3.033 -8.267 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.299 -2.388 -8.150 1.00 0.00 C ATOM 1678 C VAL B 54 -1.232 -1.010 -8.794 1.00 0.00 C ATOM 1679 O VAL B 54 -0.548 -0.115 -8.294 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.745 -2.259 -6.677 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -3.096 -1.564 -6.583 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.798 -3.627 -6.016 1.00 0.00 C ATOM 0 H VAL B 54 0.707 -2.670 -7.627 1.00 0.00 H new ATOM 0 HA VAL B 54 -2.035 -3.008 -8.662 1.00 0.00 H new ATOM 0 HB VAL B 54 -1.012 -1.650 -6.148 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.392 -1.483 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -3.023 -0.567 -7.017 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.842 -2.143 -7.127 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -2.114 -3.518 -4.979 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.509 -4.260 -6.547 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.809 -4.085 -6.048 1.00 0.00 H new ATOM 1692 N THR B 55 -1.915 -0.848 -9.922 1.00 0.00 N ATOM 1693 CA THR B 55 -1.889 0.420 -10.639 1.00 0.00 C ATOM 1694 C THR B 55 -3.153 1.238 -10.405 1.00 0.00 C ATOM 1695 O THR B 55 -4.248 0.842 -10.803 1.00 0.00 O ATOM 1696 CB THR B 55 -1.689 0.186 -12.134 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.629 -0.726 -12.360 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.359 1.457 -12.889 1.00 0.00 C ATOM 0 H THR B 55 -2.488 -1.572 -10.356 1.00 0.00 H new ATOM 0 HA THR B 55 -1.048 0.992 -10.247 1.00 0.00 H new ATOM 0 HB THR B 55 -2.637 -0.210 -12.499 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.517 -0.865 -13.324 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.228 1.228 -13.947 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.173 2.172 -12.771 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.438 1.886 -12.494 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.986 2.389 -9.759 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.102 3.283 -9.471 1.00 0.00 C ATOM 1708 C GLU B 56 -4.900 3.590 -10.736 1.00 0.00 C ATOM 1709 O GLU B 56 -6.078 3.179 -10.808 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.582 4.584 -8.850 1.00 0.00 C ATOM 1711 CG GLU B 56 -4.658 5.633 -8.616 1.00 0.00 C ATOM 1712 CD GLU B 56 -5.769 5.139 -7.712 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -5.477 4.782 -6.553 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -6.933 5.113 -8.164 1.00 0.00 O ATOM 1715 OXT GLU B 56 -4.339 4.237 -11.646 1.00 0.00 O ATOM 0 H GLU B 56 -2.083 2.725 -9.424 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.765 2.785 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.101 4.354 -7.899 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -2.815 5.004 -9.501 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -4.204 6.521 -8.176 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -5.081 5.933 -9.574 1.00 0.00 H new