USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 SER OG : rot -34:sc= 0.444 USER MOD Single : A 14 THR OG1 : rot 77:sc= 1 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.018) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 109:sc= 0.0153 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= -0.866 USER MOD Single : A 38 TYR OH : rot 130:sc= -0.33 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.107 X(o=0.11,f=-0.083) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.595 X(o=-0.6,f=-0.45) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.276 K(o=-0.28,f=-2.3!) USER MOD Single : A 65 GLN : amide:sc= 0.00133 K(o=0.0013,f=-2.3!) USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000571) USER MOD Single : A 73 GLN : amide:sc= -0.0583 X(o=-0.058,f=-0.42) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0135 F(o=-0.64,f=-0.013) USER MOD Single : A 83 THR OG1 : rot 30:sc= 0.86 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.302 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.9!) USER MOD Single : A 98 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.047) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 78:sc= 1.08 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 10 -16.215 -14.083 -1.197 1.00 0.00 N ATOM 19 CA SER A 10 -15.712 -14.333 -2.551 1.00 0.00 C ATOM 20 C SER A 10 -15.771 -13.060 -3.395 1.00 0.00 C ATOM 21 O SER A 10 -14.784 -12.683 -4.025 1.00 0.00 O ATOM 22 CB SER A 10 -16.519 -15.441 -3.241 1.00 0.00 C ATOM 23 OG SER A 10 -17.870 -15.445 -2.811 1.00 0.00 O ATOM 0 HA SER A 10 -14.674 -14.655 -2.462 1.00 0.00 H new ATOM 0 HB2 SER A 10 -16.480 -15.302 -4.321 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.066 -16.409 -3.028 1.00 0.00 H new ATOM 0 HG SER A 10 -17.914 -15.182 -1.868 1.00 0.00 H new ATOM 29 N ALA A 11 -16.937 -12.407 -3.402 1.00 0.00 N ATOM 30 CA ALA A 11 -17.136 -11.175 -4.171 1.00 0.00 C ATOM 31 C ALA A 11 -16.065 -10.132 -3.861 1.00 0.00 C ATOM 32 O ALA A 11 -15.612 -9.418 -4.754 1.00 0.00 O ATOM 33 CB ALA A 11 -18.521 -10.597 -3.908 1.00 0.00 C ATOM 0 H ALA A 11 -17.760 -12.712 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.052 -11.435 -5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.650 -9.683 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -19.280 -11.323 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.626 -10.371 -2.847 1.00 0.00 H new ATOM 39 N PHE A 12 -15.660 -10.053 -2.596 1.00 0.00 N ATOM 40 CA PHE A 12 -14.640 -9.098 -2.179 1.00 0.00 C ATOM 41 C PHE A 12 -13.241 -9.622 -2.482 1.00 0.00 C ATOM 42 O PHE A 12 -12.354 -8.858 -2.865 1.00 0.00 O ATOM 43 CB PHE A 12 -14.769 -8.797 -0.683 1.00 0.00 C ATOM 44 CG PHE A 12 -15.685 -7.644 -0.381 1.00 0.00 C ATOM 45 CD1 PHE A 12 -15.293 -6.344 -0.652 1.00 0.00 C ATOM 46 CD2 PHE A 12 -16.935 -7.861 0.176 1.00 0.00 C ATOM 47 CE1 PHE A 12 -16.130 -5.280 -0.374 1.00 0.00 C ATOM 48 CE2 PHE A 12 -17.777 -6.802 0.455 1.00 0.00 C ATOM 49 CZ PHE A 12 -17.374 -5.510 0.180 1.00 0.00 C ATOM 0 H PHE A 12 -16.023 -10.639 -1.844 1.00 0.00 H new ATOM 0 HA PHE A 12 -14.794 -8.178 -2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -15.137 -9.687 -0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.781 -8.582 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.321 -6.159 -1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.255 -8.869 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.812 -4.271 -0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -18.750 -6.984 0.888 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.031 -4.681 0.398 1.00 0.00 H new ATOM 59 N VAL A 13 -13.048 -10.928 -2.307 1.00 0.00 N ATOM 60 CA VAL A 13 -11.752 -11.546 -2.562 1.00 0.00 C ATOM 61 C VAL A 13 -11.408 -11.508 -4.051 1.00 0.00 C ATOM 62 O VAL A 13 -10.301 -11.120 -4.427 1.00 0.00 O ATOM 63 CB VAL A 13 -11.706 -13.003 -2.047 1.00 0.00 C ATOM 64 CG1 VAL A 13 -10.307 -13.582 -2.197 1.00 0.00 C ATOM 65 CG2 VAL A 13 -12.158 -13.070 -0.593 1.00 0.00 C ATOM 0 H VAL A 13 -13.770 -11.575 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.008 -10.967 -2.015 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.390 -13.600 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.296 -14.608 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.019 -13.571 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.602 -12.983 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.119 -14.103 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.499 -12.457 0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.179 -12.698 -0.512 1.00 0.00 H new ATOM 75 N THR A 14 -12.365 -11.899 -4.896 1.00 0.00 N ATOM 76 CA THR A 14 -12.159 -11.896 -6.345 1.00 0.00 C ATOM 77 C THR A 14 -11.910 -10.477 -6.857 1.00 0.00 C ATOM 78 O THR A 14 -11.018 -10.258 -7.677 1.00 0.00 O ATOM 79 CB THR A 14 -13.366 -12.504 -7.069 1.00 0.00 C ATOM 80 OG1 THR A 14 -13.805 -13.684 -6.423 1.00 0.00 O ATOM 81 CG2 THR A 14 -13.082 -12.853 -8.513 1.00 0.00 C ATOM 0 H THR A 14 -13.287 -12.221 -4.602 1.00 0.00 H new ATOM 0 HA THR A 14 -11.280 -12.505 -6.555 1.00 0.00 H new ATOM 0 HB THR A 14 -14.135 -11.732 -7.039 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.305 -13.447 -5.614 1.00 0.00 H new ATOM 0 HG21 THR A 14 -13.977 -13.279 -8.967 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.793 -11.952 -9.055 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.271 -13.580 -8.559 1.00 0.00 H new ATOM 89 N LYS A 15 -12.700 -9.516 -6.367 1.00 0.00 N ATOM 90 CA LYS A 15 -12.552 -8.120 -6.781 1.00 0.00 C ATOM 91 C LYS A 15 -11.168 -7.591 -6.413 1.00 0.00 C ATOM 92 O LYS A 15 -10.550 -6.856 -7.186 1.00 0.00 O ATOM 93 CB LYS A 15 -13.639 -7.244 -6.142 1.00 0.00 C ATOM 94 CG LYS A 15 -14.701 -6.769 -7.127 1.00 0.00 C ATOM 95 CD LYS A 15 -15.754 -7.839 -7.377 1.00 0.00 C ATOM 96 CE LYS A 15 -17.045 -7.545 -6.620 1.00 0.00 C ATOM 97 NZ LYS A 15 -18.175 -7.222 -7.538 1.00 0.00 N ATOM 0 H LYS A 15 -13.443 -9.679 -5.688 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.664 -8.078 -7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.123 -7.806 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.169 -6.375 -5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.180 -5.870 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.227 -6.497 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.964 -7.901 -8.445 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.366 -8.811 -7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.311 -8.408 -6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.883 -6.710 -5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.031 -7.029 -6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.934 -6.383 -8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.349 -8.028 -8.172 1.00 0.00 H new ATOM 111 N ALA A 16 -10.682 -7.981 -5.235 1.00 0.00 N ATOM 112 CA ALA A 16 -9.362 -7.560 -4.767 1.00 0.00 C ATOM 113 C ALA A 16 -8.263 -8.131 -5.659 1.00 0.00 C ATOM 114 O ALA A 16 -7.304 -7.438 -6.000 1.00 0.00 O ATOM 115 CB ALA A 16 -9.142 -7.984 -3.321 1.00 0.00 C ATOM 0 H ALA A 16 -11.183 -8.588 -4.587 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.318 -6.472 -4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.154 -7.661 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.902 -7.526 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.212 -9.069 -3.245 1.00 0.00 H new ATOM 121 N GLU A 17 -8.414 -9.400 -6.039 1.00 0.00 N ATOM 122 CA GLU A 17 -7.438 -10.068 -6.896 1.00 0.00 C ATOM 123 C GLU A 17 -7.442 -9.471 -8.303 1.00 0.00 C ATOM 124 O GLU A 17 -6.394 -9.349 -8.936 1.00 0.00 O ATOM 125 CB GLU A 17 -7.727 -11.568 -6.968 1.00 0.00 C ATOM 126 CG GLU A 17 -7.492 -12.297 -5.654 1.00 0.00 C ATOM 127 CD GLU A 17 -7.950 -13.742 -5.702 1.00 0.00 C ATOM 128 OE1 GLU A 17 -7.302 -14.548 -6.401 1.00 0.00 O ATOM 129 OE2 GLU A 17 -8.958 -14.067 -5.040 1.00 0.00 O ATOM 0 H GLU A 17 -9.204 -9.985 -5.766 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.451 -9.915 -6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.762 -11.716 -7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.099 -12.014 -7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.431 -12.264 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.021 -11.778 -4.855 1.00 0.00 H new ATOM 136 N GLU A 18 -8.625 -9.094 -8.789 1.00 0.00 N ATOM 137 CA GLU A 18 -8.753 -8.502 -10.118 1.00 0.00 C ATOM 138 C GLU A 18 -8.032 -7.153 -10.191 1.00 0.00 C ATOM 139 O GLU A 18 -7.480 -6.794 -11.231 1.00 0.00 O ATOM 140 CB GLU A 18 -10.228 -8.328 -10.488 1.00 0.00 C ATOM 141 CG GLU A 18 -10.850 -9.566 -11.116 1.00 0.00 C ATOM 142 CD GLU A 18 -10.598 -9.654 -12.610 1.00 0.00 C ATOM 143 OE1 GLU A 18 -10.970 -8.703 -13.332 1.00 0.00 O ATOM 144 OE2 GLU A 18 -10.030 -10.671 -13.058 1.00 0.00 O ATOM 0 H GLU A 18 -9.505 -9.188 -8.283 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.287 -9.180 -10.832 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.790 -8.065 -9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.324 -7.492 -11.181 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.448 -10.455 -10.631 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.924 -9.561 -10.933 1.00 0.00 H new ATOM 151 N MET A 19 -8.039 -6.413 -9.081 1.00 0.00 N ATOM 152 CA MET A 19 -7.382 -5.109 -9.030 1.00 0.00 C ATOM 153 C MET A 19 -5.864 -5.251 -9.109 1.00 0.00 C ATOM 154 O MET A 19 -5.203 -4.508 -9.835 1.00 0.00 O ATOM 155 CB MET A 19 -7.768 -4.363 -7.750 1.00 0.00 C ATOM 156 CG MET A 19 -7.841 -2.852 -7.926 1.00 0.00 C ATOM 157 SD MET A 19 -9.508 -2.202 -7.703 1.00 0.00 S ATOM 158 CE MET A 19 -9.869 -1.609 -9.356 1.00 0.00 C ATOM 0 H MET A 19 -8.490 -6.694 -8.210 1.00 0.00 H new ATOM 0 HA MET A 19 -7.719 -4.535 -9.893 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.735 -4.728 -7.404 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.042 -4.595 -6.971 1.00 0.00 H new ATOM 0 HG2 MET A 19 -7.171 -2.375 -7.211 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.484 -2.589 -8.922 1.00 0.00 H new ATOM 0 HE1 MET A 19 -10.870 -1.178 -9.377 1.00 0.00 H new ATOM 0 HE2 MET A 19 -9.140 -0.849 -9.637 1.00 0.00 H new ATOM 0 HE3 MET A 19 -9.817 -2.440 -10.060 1.00 0.00 H new ATOM 168 N ILE A 20 -5.314 -6.212 -8.363 1.00 0.00 N ATOM 169 CA ILE A 20 -3.877 -6.449 -8.356 1.00 0.00 C ATOM 170 C ILE A 20 -3.412 -7.136 -9.641 1.00 0.00 C ATOM 171 O ILE A 20 -2.215 -7.166 -9.934 1.00 0.00 O ATOM 172 CB ILE A 20 -3.447 -7.300 -7.143 1.00 0.00 C ATOM 173 CG1 ILE A 20 -4.277 -8.586 -7.055 1.00 0.00 C ATOM 174 CG2 ILE A 20 -3.565 -6.495 -5.857 1.00 0.00 C ATOM 175 CD1 ILE A 20 -3.626 -9.667 -6.221 1.00 0.00 C ATOM 0 H ILE A 20 -5.846 -6.837 -7.757 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.405 -5.469 -8.287 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.403 -7.581 -7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.254 -8.351 -6.632 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.449 -8.968 -8.061 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.258 -7.112 -5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.923 -5.616 -5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.599 -6.180 -5.719 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.268 -10.548 -6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.661 -9.930 -6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.479 -9.303 -5.204 1.00 0.00 H new ATOM 187 N LYS A 21 -4.357 -7.689 -10.407 1.00 0.00 N ATOM 188 CA LYS A 21 -4.027 -8.370 -11.656 1.00 0.00 C ATOM 189 C LYS A 21 -3.372 -7.407 -12.643 1.00 0.00 C ATOM 190 O LYS A 21 -2.201 -7.564 -12.989 1.00 0.00 O ATOM 191 CB LYS A 21 -5.284 -8.983 -12.278 1.00 0.00 C ATOM 192 CG LYS A 21 -5.517 -10.437 -11.889 1.00 0.00 C ATOM 193 CD LYS A 21 -6.160 -11.224 -13.021 1.00 0.00 C ATOM 194 CE LYS A 21 -5.805 -12.701 -12.947 1.00 0.00 C ATOM 195 NZ LYS A 21 -5.925 -13.371 -14.273 1.00 0.00 N ATOM 0 H LYS A 21 -5.352 -7.677 -10.183 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.319 -9.168 -11.430 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.151 -8.393 -11.979 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.211 -8.914 -13.363 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.567 -10.898 -11.618 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.156 -10.480 -11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.243 -11.107 -12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.834 -10.818 -13.979 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.786 -12.811 -12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.460 -13.196 -12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.674 -14.376 -14.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.903 -13.289 -14.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.281 -12.916 -14.951 1.00 0.00 H new ATOM 209 N SER A 22 -4.135 -6.408 -13.088 1.00 0.00 N ATOM 210 CA SER A 22 -3.631 -5.412 -14.031 1.00 0.00 C ATOM 211 C SER A 22 -2.912 -4.279 -13.300 1.00 0.00 C ATOM 212 O SER A 22 -2.057 -3.604 -13.876 1.00 0.00 O ATOM 213 CB SER A 22 -4.776 -4.846 -14.876 1.00 0.00 C ATOM 214 OG SER A 22 -4.715 -5.332 -16.206 1.00 0.00 O ATOM 0 H SER A 22 -5.106 -6.268 -12.809 1.00 0.00 H new ATOM 0 HA SER A 22 -2.916 -5.906 -14.689 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.732 -5.119 -14.429 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.726 -3.757 -14.880 1.00 0.00 H new ATOM 0 HG SER A 22 -5.457 -4.958 -16.725 1.00 0.00 H new ATOM 220 N HIS A 23 -3.256 -4.079 -12.026 1.00 0.00 N ATOM 221 CA HIS A 23 -2.636 -3.033 -11.222 1.00 0.00 C ATOM 222 C HIS A 23 -2.009 -3.619 -9.958 1.00 0.00 C ATOM 223 O HIS A 23 -2.469 -3.358 -8.845 1.00 0.00 O ATOM 224 CB HIS A 23 -3.664 -1.959 -10.855 1.00 0.00 C ATOM 225 CG HIS A 23 -3.877 -0.929 -11.922 1.00 0.00 C ATOM 226 ND1 HIS A 23 -5.027 -0.174 -12.020 1.00 0.00 N ATOM 227 CD2 HIS A 23 -3.079 -0.525 -12.941 1.00 0.00 C ATOM 228 CE1 HIS A 23 -4.929 0.646 -13.050 1.00 0.00 C ATOM 229 NE2 HIS A 23 -3.757 0.453 -13.626 1.00 0.00 N ATOM 0 H HIS A 23 -3.960 -4.629 -11.533 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.846 -2.573 -11.815 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.616 -2.442 -10.635 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.342 -1.459 -9.941 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.094 -0.902 -13.171 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.680 1.354 -13.367 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -3.411 0.950 -14.447 1.00 0.00 H new ATOM 238 N PRO A 24 -0.937 -4.423 -10.115 1.00 0.00 N ATOM 239 CA PRO A 24 -0.243 -5.047 -8.980 1.00 0.00 C ATOM 240 C PRO A 24 0.470 -4.029 -8.085 1.00 0.00 C ATOM 241 O PRO A 24 0.797 -4.328 -6.936 1.00 0.00 O ATOM 242 CB PRO A 24 0.774 -5.977 -9.650 1.00 0.00 C ATOM 243 CG PRO A 24 0.993 -5.392 -11.003 1.00 0.00 C ATOM 244 CD PRO A 24 -0.320 -4.786 -11.406 1.00 0.00 C ATOM 0 HA PRO A 24 -0.940 -5.559 -8.317 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.704 -6.020 -9.083 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.394 -6.996 -9.717 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.780 -4.639 -10.980 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.305 -6.157 -11.714 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.181 -3.914 -12.045 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.936 -5.493 -11.961 1.00 0.00 H new ATOM 252 N TYR A 25 0.698 -2.824 -8.613 1.00 0.00 N ATOM 253 CA TYR A 25 1.359 -1.766 -7.857 1.00 0.00 C ATOM 254 C TYR A 25 0.324 -0.887 -7.156 1.00 0.00 C ATOM 255 O TYR A 25 0.074 0.249 -7.569 1.00 0.00 O ATOM 256 CB TYR A 25 2.230 -0.913 -8.786 1.00 0.00 C ATOM 257 CG TYR A 25 3.650 -1.416 -8.942 1.00 0.00 C ATOM 258 CD1 TYR A 25 4.524 -1.441 -7.863 1.00 0.00 C ATOM 259 CD2 TYR A 25 4.118 -1.856 -10.175 1.00 0.00 C ATOM 260 CE1 TYR A 25 5.825 -1.891 -8.007 1.00 0.00 C ATOM 261 CE2 TYR A 25 5.414 -2.310 -10.326 1.00 0.00 C ATOM 262 CZ TYR A 25 6.264 -2.324 -9.241 1.00 0.00 C ATOM 263 OH TYR A 25 7.558 -2.770 -9.388 1.00 0.00 O ATOM 0 H TYR A 25 0.433 -2.560 -9.562 1.00 0.00 H new ATOM 0 HA TYR A 25 1.996 -2.227 -7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.761 -0.872 -9.769 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.258 0.107 -8.404 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.183 -1.104 -6.895 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.457 -1.843 -11.029 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.493 -1.903 -7.158 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.760 -2.653 -11.290 1.00 0.00 H new ATOM 0 HH TYR A 25 7.707 -3.040 -10.318 1.00 0.00 H new ATOM 273 N PHE A 26 -0.283 -1.424 -6.100 1.00 0.00 N ATOM 274 CA PHE A 26 -1.296 -0.694 -5.348 1.00 0.00 C ATOM 275 C PHE A 26 -0.816 -0.371 -3.936 1.00 0.00 C ATOM 276 O PHE A 26 -0.178 -1.198 -3.282 1.00 0.00 O ATOM 277 CB PHE A 26 -2.596 -1.502 -5.281 1.00 0.00 C ATOM 278 CG PHE A 26 -3.802 -0.751 -5.776 1.00 0.00 C ATOM 279 CD1 PHE A 26 -3.908 -0.381 -7.108 1.00 0.00 C ATOM 280 CD2 PHE A 26 -4.831 -0.418 -4.908 1.00 0.00 C ATOM 281 CE1 PHE A 26 -5.016 0.307 -7.564 1.00 0.00 C ATOM 282 CE2 PHE A 26 -5.941 0.271 -5.359 1.00 0.00 C ATOM 283 CZ PHE A 26 -6.034 0.632 -6.689 1.00 0.00 C ATOM 0 H PHE A 26 -0.090 -2.361 -5.747 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.481 0.245 -5.869 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.479 -2.412 -5.870 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.769 -1.810 -4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.115 -0.633 -7.797 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.764 -0.700 -3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.086 0.590 -8.604 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.735 0.527 -4.672 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.902 1.168 -7.044 1.00 0.00 H new ATOM 293 N GLN A 27 -1.135 0.833 -3.468 1.00 0.00 N ATOM 294 CA GLN A 27 -0.747 1.265 -2.129 1.00 0.00 C ATOM 295 C GLN A 27 -1.932 1.893 -1.405 1.00 0.00 C ATOM 296 O GLN A 27 -2.293 3.043 -1.664 1.00 0.00 O ATOM 297 CB GLN A 27 0.416 2.258 -2.199 1.00 0.00 C ATOM 298 CG GLN A 27 1.461 2.040 -1.117 1.00 0.00 C ATOM 299 CD GLN A 27 1.993 3.340 -0.540 1.00 0.00 C ATOM 300 OE1 GLN A 27 1.264 4.324 -0.416 1.00 0.00 O ATOM 301 NE2 GLN A 27 3.273 3.349 -0.183 1.00 0.00 N ATOM 0 H GLN A 27 -1.662 1.527 -3.998 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.422 0.388 -1.569 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.893 2.179 -3.176 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.024 3.272 -2.116 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.027 1.443 -0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.290 1.465 -1.530 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.842 2.511 -0.303 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.687 4.194 0.211 1.00 0.00 H new ATOM 310 N LEU A 28 -2.537 1.129 -0.501 1.00 0.00 N ATOM 311 CA LEU A 28 -3.687 1.608 0.259 1.00 0.00 C ATOM 312 C LEU A 28 -3.238 2.312 1.536 1.00 0.00 C ATOM 313 O LEU A 28 -2.700 1.684 2.449 1.00 0.00 O ATOM 314 CB LEU A 28 -4.629 0.448 0.593 1.00 0.00 C ATOM 315 CG LEU A 28 -5.124 -0.344 -0.619 1.00 0.00 C ATOM 316 CD1 LEU A 28 -4.230 -1.551 -0.873 1.00 0.00 C ATOM 317 CD2 LEU A 28 -6.569 -0.777 -0.420 1.00 0.00 C ATOM 0 H LEU A 28 -2.250 0.176 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.226 2.328 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.116 -0.234 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.492 0.842 1.130 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.078 0.304 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.599 -2.101 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.211 -1.215 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.240 -2.202 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.904 -1.339 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.641 -1.406 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.198 0.104 -0.292 1.00 0.00 H new ATOM 329 N SER A 29 -3.459 3.624 1.589 1.00 0.00 N ATOM 330 CA SER A 29 -3.077 4.422 2.748 1.00 0.00 C ATOM 331 C SER A 29 -3.806 5.764 2.751 1.00 0.00 C ATOM 332 O SER A 29 -4.628 6.031 1.875 1.00 0.00 O ATOM 333 CB SER A 29 -1.560 4.645 2.761 1.00 0.00 C ATOM 334 OG SER A 29 -1.143 5.414 1.644 1.00 0.00 O ATOM 0 H SER A 29 -3.902 4.156 0.840 1.00 0.00 H new ATOM 0 HA SER A 29 -3.363 3.876 3.647 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.273 5.152 3.682 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.049 3.682 2.754 1.00 0.00 H new ATOM 0 HG SER A 29 -0.172 5.542 1.679 1.00 0.00 H new ATOM 340 N ALA A 30 -3.498 6.601 3.746 1.00 0.00 N ATOM 341 CA ALA A 30 -4.116 7.917 3.877 1.00 0.00 C ATOM 342 C ALA A 30 -5.589 7.807 4.257 1.00 0.00 C ATOM 343 O ALA A 30 -6.396 7.237 3.520 1.00 0.00 O ATOM 344 CB ALA A 30 -3.959 8.722 2.597 1.00 0.00 C ATOM 0 H ALA A 30 -2.819 6.385 4.476 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.599 8.440 4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.428 9.698 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.899 8.854 2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.437 8.192 1.773 1.00 0.00 H new ATOM 350 N SER A 31 -5.922 8.364 5.417 1.00 0.00 N ATOM 351 CA SER A 31 -7.289 8.352 5.931 1.00 0.00 C ATOM 352 C SER A 31 -7.355 9.122 7.246 1.00 0.00 C ATOM 353 O SER A 31 -8.222 9.978 7.437 1.00 0.00 O ATOM 354 CB SER A 31 -7.781 6.913 6.142 1.00 0.00 C ATOM 355 OG SER A 31 -9.036 6.889 6.805 1.00 0.00 O ATOM 0 H SER A 31 -5.254 8.836 6.027 1.00 0.00 H new ATOM 0 HA SER A 31 -7.937 8.832 5.198 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.867 6.411 5.178 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.048 6.358 6.727 1.00 0.00 H new ATOM 0 HG SER A 31 -9.732 6.604 6.177 1.00 0.00 H new ATOM 361 N TRP A 32 -6.426 8.806 8.145 1.00 0.00 N ATOM 362 CA TRP A 32 -6.357 9.454 9.451 1.00 0.00 C ATOM 363 C TRP A 32 -5.025 9.151 10.146 1.00 0.00 C ATOM 364 O TRP A 32 -4.976 9.011 11.370 1.00 0.00 O ATOM 365 CB TRP A 32 -7.528 8.994 10.335 1.00 0.00 C ATOM 366 CG TRP A 32 -7.816 7.516 10.251 1.00 0.00 C ATOM 367 CD1 TRP A 32 -6.951 6.527 9.873 1.00 0.00 C ATOM 368 CD2 TRP A 32 -9.059 6.864 10.550 1.00 0.00 C ATOM 369 NE1 TRP A 32 -7.577 5.305 9.916 1.00 0.00 N ATOM 370 CE2 TRP A 32 -8.870 5.486 10.331 1.00 0.00 C ATOM 371 CE3 TRP A 32 -10.311 7.312 10.983 1.00 0.00 C ATOM 372 CZ2 TRP A 32 -9.888 4.553 10.530 1.00 0.00 C ATOM 373 CZ3 TRP A 32 -11.318 6.384 11.181 1.00 0.00 C ATOM 374 CH2 TRP A 32 -11.102 5.019 10.954 1.00 0.00 C ATOM 0 H TRP A 32 -5.706 8.100 7.991 1.00 0.00 H new ATOM 0 HA TRP A 32 -6.426 10.531 9.298 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.311 9.253 11.371 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.424 9.545 10.049 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.923 6.684 9.582 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -7.149 4.410 9.678 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.489 8.363 11.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -9.723 3.500 10.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -12.288 6.718 11.517 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -11.910 4.321 11.117 1.00 0.00 H new ATOM 385 N CYS A 33 -3.944 9.041 9.367 1.00 0.00 N ATOM 386 CA CYS A 33 -2.630 8.745 9.934 1.00 0.00 C ATOM 387 C CYS A 33 -1.547 9.637 9.332 1.00 0.00 C ATOM 388 O CYS A 33 -1.486 9.817 8.114 1.00 0.00 O ATOM 389 CB CYS A 33 -2.275 7.273 9.708 1.00 0.00 C ATOM 390 SG CYS A 33 -2.808 6.173 11.042 1.00 0.00 S ATOM 0 H CYS A 33 -3.954 9.152 8.353 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.678 8.946 11.004 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.728 6.940 8.774 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.195 7.185 9.588 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.466 4.951 10.760 1.00 0.00 H new ATOM 396 N PRO A 34 -0.667 10.202 10.185 1.00 0.00 N ATOM 397 CA PRO A 34 0.427 11.070 9.734 1.00 0.00 C ATOM 398 C PRO A 34 1.532 10.290 9.021 1.00 0.00 C ATOM 399 O PRO A 34 2.166 10.803 8.097 1.00 0.00 O ATOM 400 CB PRO A 34 0.958 11.680 11.032 1.00 0.00 C ATOM 401 CG PRO A 34 0.617 10.687 12.090 1.00 0.00 C ATOM 402 CD PRO A 34 -0.665 10.029 11.653 1.00 0.00 C ATOM 0 HA PRO A 34 0.086 11.809 9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.034 11.847 10.979 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.495 12.646 11.233 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.413 9.951 12.204 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.494 11.175 13.057 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.689 8.976 11.932 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.534 10.500 12.113 1.00 0.00 H new ATOM 410 N ASP A 35 1.757 9.048 9.457 1.00 0.00 N ATOM 411 CA ASP A 35 2.785 8.194 8.862 1.00 0.00 C ATOM 412 C ASP A 35 2.529 7.988 7.369 1.00 0.00 C ATOM 413 O ASP A 35 3.468 7.898 6.575 1.00 0.00 O ATOM 414 CB ASP A 35 2.833 6.837 9.573 1.00 0.00 C ATOM 415 CG ASP A 35 3.387 6.929 10.986 1.00 0.00 C ATOM 416 OD1 ASP A 35 2.858 7.734 11.782 1.00 0.00 O ATOM 417 OD2 ASP A 35 4.347 6.193 11.295 1.00 0.00 O ATOM 0 H ASP A 35 1.240 8.612 10.221 1.00 0.00 H new ATOM 0 HA ASP A 35 3.746 8.694 8.983 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.828 6.415 9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.447 6.149 8.991 1.00 0.00 H new ATOM 422 N CYS A 36 1.252 7.923 6.993 1.00 0.00 N ATOM 423 CA CYS A 36 0.863 7.737 5.597 1.00 0.00 C ATOM 424 C CYS A 36 1.288 8.939 4.751 1.00 0.00 C ATOM 425 O CYS A 36 1.743 8.778 3.619 1.00 0.00 O ATOM 426 CB CYS A 36 -0.650 7.530 5.498 1.00 0.00 C ATOM 427 SG CYS A 36 -1.292 6.251 6.606 1.00 0.00 S ATOM 0 H CYS A 36 0.467 7.997 7.640 1.00 0.00 H new ATOM 0 HA CYS A 36 1.369 6.852 5.212 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.151 8.473 5.719 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.904 7.268 4.471 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.579 6.150 6.453 1.00 0.00 H new ATOM 433 N VAL A 37 1.144 10.140 5.315 1.00 0.00 N ATOM 434 CA VAL A 37 1.520 11.368 4.616 1.00 0.00 C ATOM 435 C VAL A 37 2.998 11.346 4.219 1.00 0.00 C ATOM 436 O VAL A 37 3.365 11.841 3.155 1.00 0.00 O ATOM 437 CB VAL A 37 1.243 12.623 5.473 1.00 0.00 C ATOM 438 CG1 VAL A 37 1.455 13.886 4.649 1.00 0.00 C ATOM 439 CG2 VAL A 37 -0.168 12.579 6.048 1.00 0.00 C ATOM 0 H VAL A 37 0.770 10.287 6.253 1.00 0.00 H new ATOM 0 HA VAL A 37 0.905 11.417 3.717 1.00 0.00 H new ATOM 0 HB VAL A 37 1.946 12.637 6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.256 14.761 5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.485 13.920 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.776 13.882 3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.344 13.471 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.892 12.541 5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.279 11.693 6.673 1.00 0.00 H new ATOM 449 N TYR A 38 3.838 10.760 5.075 1.00 0.00 N ATOM 450 CA TYR A 38 5.275 10.661 4.807 1.00 0.00 C ATOM 451 C TYR A 38 5.532 9.929 3.487 1.00 0.00 C ATOM 452 O TYR A 38 6.349 10.367 2.677 1.00 0.00 O ATOM 453 CB TYR A 38 5.972 9.929 5.957 1.00 0.00 C ATOM 454 CG TYR A 38 7.474 9.790 5.792 1.00 0.00 C ATOM 455 CD1 TYR A 38 8.327 10.845 6.094 1.00 0.00 C ATOM 456 CD2 TYR A 38 8.036 8.599 5.344 1.00 0.00 C ATOM 457 CE1 TYR A 38 9.695 10.717 5.957 1.00 0.00 C ATOM 458 CE2 TYR A 38 9.403 8.464 5.203 1.00 0.00 C ATOM 459 CZ TYR A 38 10.230 9.528 5.511 1.00 0.00 C ATOM 460 OH TYR A 38 11.593 9.398 5.380 1.00 0.00 O ATOM 0 H TYR A 38 3.548 10.346 5.961 1.00 0.00 H new ATOM 0 HA TYR A 38 5.681 11.669 4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.768 10.461 6.887 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.536 8.935 6.056 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.913 11.780 6.441 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.392 7.766 5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.344 11.546 6.199 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.824 7.532 4.854 1.00 0.00 H new ATOM 0 HH TYR A 38 11.888 8.578 5.828 1.00 0.00 H new ATOM 470 N ALA A 39 4.825 8.816 3.282 1.00 0.00 N ATOM 471 CA ALA A 39 4.972 8.022 2.062 1.00 0.00 C ATOM 472 C ALA A 39 4.593 8.829 0.821 1.00 0.00 C ATOM 473 O ALA A 39 5.239 8.716 -0.221 1.00 0.00 O ATOM 474 CB ALA A 39 4.130 6.754 2.143 1.00 0.00 C ATOM 0 H ALA A 39 4.145 8.445 3.945 1.00 0.00 H new ATOM 0 HA ALA A 39 6.022 7.743 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.252 6.177 1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.454 6.156 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.080 7.021 2.266 1.00 0.00 H new ATOM 480 N ASN A 40 3.548 9.654 0.941 1.00 0.00 N ATOM 481 CA ASN A 40 3.096 10.483 -0.172 1.00 0.00 C ATOM 482 C ASN A 40 4.036 11.660 -0.386 1.00 0.00 C ATOM 483 O ASN A 40 4.218 12.119 -1.512 1.00 0.00 O ATOM 484 CB ASN A 40 1.676 10.998 0.079 1.00 0.00 C ATOM 485 CG ASN A 40 0.624 10.150 -0.607 1.00 0.00 C ATOM 486 OD1 ASN A 40 0.663 8.921 -0.543 1.00 0.00 O ATOM 487 ND2 ASN A 40 -0.323 10.801 -1.273 1.00 0.00 N ATOM 0 H ASN A 40 3.003 9.763 1.796 1.00 0.00 H new ATOM 0 HA ASN A 40 3.096 9.864 -1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.483 11.014 1.152 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.597 12.026 -0.275 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.055 10.281 -1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.318 11.821 -1.301 1.00 0.00 H new ATOM 494 N SER A 41 4.631 12.146 0.703 1.00 0.00 N ATOM 495 CA SER A 41 5.551 13.273 0.633 1.00 0.00 C ATOM 496 C SER A 41 6.767 12.927 -0.223 1.00 0.00 C ATOM 497 O SER A 41 7.145 13.690 -1.113 1.00 0.00 O ATOM 498 CB SER A 41 5.997 13.685 2.038 1.00 0.00 C ATOM 499 OG SER A 41 5.183 14.727 2.545 1.00 0.00 O ATOM 0 H SER A 41 4.490 11.775 1.643 1.00 0.00 H new ATOM 0 HA SER A 41 5.029 14.110 0.169 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.949 12.824 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.037 14.011 2.012 1.00 0.00 H new ATOM 0 HG SER A 41 5.487 14.971 3.444 1.00 0.00 H new ATOM 505 N ILE A 42 7.373 11.773 0.052 1.00 0.00 N ATOM 506 CA ILE A 42 8.545 11.327 -0.696 1.00 0.00 C ATOM 507 C ILE A 42 8.193 11.028 -2.153 1.00 0.00 C ATOM 508 O ILE A 42 8.953 11.362 -3.061 1.00 0.00 O ATOM 509 CB ILE A 42 9.187 10.073 -0.062 1.00 0.00 C ATOM 510 CG1 ILE A 42 9.452 10.293 1.432 1.00 0.00 C ATOM 511 CG2 ILE A 42 10.479 9.717 -0.785 1.00 0.00 C ATOM 512 CD1 ILE A 42 10.455 11.390 1.720 1.00 0.00 C ATOM 0 H ILE A 42 7.072 11.132 0.786 1.00 0.00 H new ATOM 0 HA ILE A 42 9.265 12.145 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 42 8.489 9.242 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.511 10.535 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.811 9.361 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.920 8.832 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.265 9.515 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.178 10.550 -0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.590 11.486 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.409 11.141 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.089 12.333 1.314 1.00 0.00 H new ATOM 524 N TRP A 43 7.037 10.398 -2.371 1.00 0.00 N ATOM 525 CA TRP A 43 6.593 10.059 -3.722 1.00 0.00 C ATOM 526 C TRP A 43 6.250 11.313 -4.528 1.00 0.00 C ATOM 527 O TRP A 43 6.470 11.358 -5.739 1.00 0.00 O ATOM 528 CB TRP A 43 5.382 9.120 -3.674 1.00 0.00 C ATOM 529 CG TRP A 43 5.717 7.706 -4.039 1.00 0.00 C ATOM 530 CD1 TRP A 43 5.207 6.981 -5.078 1.00 0.00 C ATOM 531 CD2 TRP A 43 6.643 6.845 -3.366 1.00 0.00 C ATOM 532 NE1 TRP A 43 5.760 5.723 -5.092 1.00 0.00 N ATOM 533 CE2 TRP A 43 6.643 5.616 -4.050 1.00 0.00 C ATOM 534 CE3 TRP A 43 7.473 6.996 -2.250 1.00 0.00 C ATOM 535 CZ2 TRP A 43 7.442 4.544 -3.656 1.00 0.00 C ATOM 536 CZ3 TRP A 43 8.263 5.932 -1.860 1.00 0.00 C ATOM 537 CH2 TRP A 43 8.243 4.721 -2.561 1.00 0.00 C ATOM 0 H TRP A 43 6.394 10.114 -1.632 1.00 0.00 H new ATOM 0 HA TRP A 43 7.418 9.549 -4.220 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.956 9.138 -2.671 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.615 9.492 -4.353 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.476 7.343 -5.785 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.548 4.989 -5.768 1.00 0.00 H new ATOM 0 HE3 TRP A 43 7.496 7.927 -1.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.429 3.608 -4.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 8.907 6.037 -0.999 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.873 3.909 -2.231 1.00 0.00 H new ATOM 548 N ASN A 44 5.712 12.327 -3.849 1.00 0.00 N ATOM 549 CA ASN A 44 5.341 13.582 -4.498 1.00 0.00 C ATOM 550 C ASN A 44 6.574 14.410 -4.863 1.00 0.00 C ATOM 551 O ASN A 44 6.574 15.122 -5.869 1.00 0.00 O ATOM 552 CB ASN A 44 4.421 14.402 -3.588 1.00 0.00 C ATOM 553 CG ASN A 44 2.949 14.119 -3.833 1.00 0.00 C ATOM 554 OD1 ASN A 44 2.458 14.259 -4.953 1.00 0.00 O ATOM 555 ND2 ASN A 44 2.236 13.718 -2.787 1.00 0.00 N ATOM 0 H ASN A 44 5.524 12.302 -2.847 1.00 0.00 H new ATOM 0 HA ASN A 44 4.812 13.332 -5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.660 14.185 -2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.614 15.463 -3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.243 13.513 -2.895 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.682 13.615 -1.875 1.00 0.00 H new ATOM 562 N LYS A 45 7.622 14.317 -4.042 1.00 0.00 N ATOM 563 CA LYS A 45 8.854 15.062 -4.288 1.00 0.00 C ATOM 564 C LYS A 45 9.753 14.326 -5.280 1.00 0.00 C ATOM 565 O LYS A 45 10.424 14.951 -6.101 1.00 0.00 O ATOM 566 CB LYS A 45 9.608 15.301 -2.976 1.00 0.00 C ATOM 567 CG LYS A 45 10.586 16.468 -3.034 1.00 0.00 C ATOM 568 CD LYS A 45 11.935 16.113 -2.422 1.00 0.00 C ATOM 569 CE LYS A 45 11.940 16.315 -0.911 1.00 0.00 C ATOM 570 NZ LYS A 45 12.905 17.372 -0.487 1.00 0.00 N ATOM 0 H LYS A 45 7.641 13.735 -3.205 1.00 0.00 H new ATOM 0 HA LYS A 45 8.581 16.025 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.886 15.483 -2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.153 14.395 -2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.727 16.772 -4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.162 17.323 -2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.177 15.075 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.713 16.729 -2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.938 16.586 -0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.195 15.375 -0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.875 17.475 0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.866 17.103 -0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.648 18.276 -0.933 1.00 0.00 H new ATOM 584 N LEU A 46 9.758 12.994 -5.204 1.00 0.00 N ATOM 585 CA LEU A 46 10.573 12.180 -6.102 1.00 0.00 C ATOM 586 C LEU A 46 9.901 11.992 -7.468 1.00 0.00 C ATOM 587 O LEU A 46 10.511 11.445 -8.389 1.00 0.00 O ATOM 588 CB LEU A 46 10.859 10.808 -5.479 1.00 0.00 C ATOM 589 CG LEU A 46 12.023 10.759 -4.484 1.00 0.00 C ATOM 590 CD1 LEU A 46 12.224 9.339 -3.976 1.00 0.00 C ATOM 591 CD2 LEU A 46 13.303 11.281 -5.124 1.00 0.00 C ATOM 0 H LEU A 46 9.208 12.459 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 46 11.512 12.713 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.957 10.465 -4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.062 10.100 -6.282 1.00 0.00 H new ATOM 0 HG LEU A 46 11.778 11.401 -3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.054 9.319 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.316 8.999 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.446 8.680 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.116 11.237 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.554 10.667 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.156 12.313 -5.442 1.00 0.00 H new ATOM 603 N ASN A 47 8.642 12.432 -7.596 1.00 0.00 N ATOM 604 CA ASN A 47 7.901 12.301 -8.846 1.00 0.00 C ATOM 605 C ASN A 47 7.851 10.835 -9.290 1.00 0.00 C ATOM 606 O ASN A 47 8.119 10.509 -10.448 1.00 0.00 O ATOM 607 CB ASN A 47 8.534 13.183 -9.925 1.00 0.00 C ATOM 608 CG ASN A 47 7.765 13.164 -11.238 1.00 0.00 C ATOM 609 OD1 ASN A 47 8.342 12.939 -12.301 1.00 0.00 O ATOM 610 ND2 ASN A 47 6.456 13.401 -11.174 1.00 0.00 N ATOM 0 H ASN A 47 8.119 12.882 -6.844 1.00 0.00 H new ATOM 0 HA ASN A 47 6.876 12.636 -8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.592 14.208 -9.560 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.556 12.850 -10.105 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.895 13.400 -12.026 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.014 13.583 -10.273 1.00 0.00 H new ATOM 617 N VAL A 48 7.503 9.954 -8.351 1.00 0.00 N ATOM 618 CA VAL A 48 7.410 8.524 -8.636 1.00 0.00 C ATOM 619 C VAL A 48 5.995 7.999 -8.378 1.00 0.00 C ATOM 620 O VAL A 48 5.797 6.806 -8.137 1.00 0.00 O ATOM 621 CB VAL A 48 8.425 7.708 -7.800 1.00 0.00 C ATOM 622 CG1 VAL A 48 9.851 8.008 -8.241 1.00 0.00 C ATOM 623 CG2 VAL A 48 8.247 7.980 -6.311 1.00 0.00 C ATOM 0 H VAL A 48 7.281 10.207 -7.388 1.00 0.00 H new ATOM 0 HA VAL A 48 7.649 8.397 -9.692 1.00 0.00 H new ATOM 0 HB VAL A 48 8.233 6.649 -7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.548 7.424 -7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.970 7.746 -9.292 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.058 9.070 -8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.972 7.395 -5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.403 9.041 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.238 7.699 -6.008 1.00 0.00 H new ATOM 633 N GLN A 49 5.006 8.900 -8.448 1.00 0.00 N ATOM 634 CA GLN A 49 3.608 8.531 -8.238 1.00 0.00 C ATOM 635 C GLN A 49 2.878 8.362 -9.575 1.00 0.00 C ATOM 636 O GLN A 49 1.649 8.433 -9.632 1.00 0.00 O ATOM 637 CB GLN A 49 2.901 9.589 -7.379 1.00 0.00 C ATOM 638 CG GLN A 49 2.199 9.011 -6.161 1.00 0.00 C ATOM 639 CD GLN A 49 1.281 10.010 -5.485 1.00 0.00 C ATOM 640 OE1 GLN A 49 0.071 10.004 -5.704 1.00 0.00 O ATOM 641 NE2 GLN A 49 1.853 10.876 -4.657 1.00 0.00 N ATOM 0 H GLN A 49 5.153 9.889 -8.649 1.00 0.00 H new ATOM 0 HA GLN A 49 3.585 7.576 -7.713 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.633 10.327 -7.051 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.171 10.116 -7.993 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.620 8.137 -6.461 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.946 8.668 -5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.861 10.846 -4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.284 11.571 -4.174 1.00 0.00 H new ATOM 650 N ASP A 50 3.644 8.135 -10.647 1.00 0.00 N ATOM 651 CA ASP A 50 3.075 7.953 -11.981 1.00 0.00 C ATOM 652 C ASP A 50 3.123 6.485 -12.399 1.00 0.00 C ATOM 653 O ASP A 50 2.149 5.954 -12.932 1.00 0.00 O ATOM 654 CB ASP A 50 3.819 8.814 -13.010 1.00 0.00 C ATOM 655 CG ASP A 50 5.320 8.584 -13.002 1.00 0.00 C ATOM 656 OD1 ASP A 50 5.984 9.015 -12.034 1.00 0.00 O ATOM 657 OD2 ASP A 50 5.833 7.972 -13.961 1.00 0.00 O ATOM 0 H ASP A 50 4.662 8.073 -10.614 1.00 0.00 H new ATOM 0 HA ASP A 50 2.033 8.270 -11.944 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.429 8.599 -14.005 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.617 9.866 -12.809 1.00 0.00 H new ATOM 662 N LYS A 51 4.256 5.832 -12.147 1.00 0.00 N ATOM 663 CA LYS A 51 4.419 4.421 -12.489 1.00 0.00 C ATOM 664 C LYS A 51 3.678 3.524 -11.486 1.00 0.00 C ATOM 665 O LYS A 51 3.359 2.374 -11.790 1.00 0.00 O ATOM 666 CB LYS A 51 5.906 4.047 -12.527 1.00 0.00 C ATOM 667 CG LYS A 51 6.696 4.768 -13.611 1.00 0.00 C ATOM 668 CD LYS A 51 8.196 4.605 -13.414 1.00 0.00 C ATOM 669 CE LYS A 51 8.957 5.870 -13.791 1.00 0.00 C ATOM 670 NZ LYS A 51 9.766 5.692 -15.031 1.00 0.00 N ATOM 0 H LYS A 51 5.073 6.257 -11.708 1.00 0.00 H new ATOM 0 HA LYS A 51 3.988 4.263 -13.478 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.351 4.270 -11.557 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.996 2.972 -12.680 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.412 4.378 -14.589 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.441 5.828 -13.604 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.401 4.354 -12.373 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.554 3.772 -14.019 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.251 6.688 -13.934 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.613 6.156 -12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.266 6.577 -15.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.458 4.929 -14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.138 5.445 -15.823 1.00 0.00 H new ATOM 684 N VAL A 52 3.406 4.064 -10.293 1.00 0.00 N ATOM 685 CA VAL A 52 2.704 3.323 -9.249 1.00 0.00 C ATOM 686 C VAL A 52 1.275 3.846 -9.079 1.00 0.00 C ATOM 687 O VAL A 52 0.990 5.001 -9.407 1.00 0.00 O ATOM 688 CB VAL A 52 3.446 3.432 -7.897 1.00 0.00 C ATOM 689 CG1 VAL A 52 2.802 2.537 -6.848 1.00 0.00 C ATOM 690 CG2 VAL A 52 4.924 3.091 -8.063 1.00 0.00 C ATOM 0 H VAL A 52 3.664 5.015 -10.030 1.00 0.00 H new ATOM 0 HA VAL A 52 2.673 2.278 -9.556 1.00 0.00 H new ATOM 0 HB VAL A 52 3.369 4.464 -7.553 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.343 2.632 -5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.764 2.836 -6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.837 1.500 -7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.427 3.174 -7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.023 2.072 -8.437 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.380 3.783 -8.771 1.00 0.00 H new ATOM 700 N PHE A 53 0.385 3.002 -8.552 1.00 0.00 N ATOM 701 CA PHE A 53 -0.996 3.396 -8.330 1.00 0.00 C ATOM 702 C PHE A 53 -1.302 3.428 -6.839 1.00 0.00 C ATOM 703 O PHE A 53 -1.362 2.392 -6.173 1.00 0.00 O ATOM 704 CB PHE A 53 -1.954 2.433 -9.042 1.00 0.00 C ATOM 705 CG PHE A 53 -3.318 3.015 -9.317 1.00 0.00 C ATOM 706 CD1 PHE A 53 -4.179 3.334 -8.276 1.00 0.00 C ATOM 707 CD2 PHE A 53 -3.740 3.241 -10.620 1.00 0.00 C ATOM 708 CE1 PHE A 53 -5.430 3.864 -8.529 1.00 0.00 C ATOM 709 CE2 PHE A 53 -4.992 3.769 -10.878 1.00 0.00 C ATOM 710 CZ PHE A 53 -5.837 4.082 -9.832 1.00 0.00 C ATOM 0 H PHE A 53 0.601 2.045 -8.274 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.138 4.395 -8.742 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.506 2.123 -9.986 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.069 1.536 -8.434 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.867 3.166 -7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.082 3.002 -11.443 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.089 4.108 -7.709 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.308 3.936 -11.897 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.814 4.496 -10.031 1.00 0.00 H new ATOM 720 N VAL A 54 -1.504 4.633 -6.336 1.00 0.00 N ATOM 721 CA VAL A 54 -1.816 4.849 -4.925 1.00 0.00 C ATOM 722 C VAL A 54 -3.271 5.283 -4.755 1.00 0.00 C ATOM 723 O VAL A 54 -3.754 6.158 -5.477 1.00 0.00 O ATOM 724 CB VAL A 54 -0.895 5.917 -4.292 1.00 0.00 C ATOM 725 CG1 VAL A 54 -1.095 5.986 -2.785 1.00 0.00 C ATOM 726 CG2 VAL A 54 0.565 5.642 -4.629 1.00 0.00 C ATOM 0 H VAL A 54 -1.458 5.490 -6.888 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.652 3.900 -4.415 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.166 6.885 -4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.435 6.745 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.131 6.245 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.862 5.018 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.194 6.406 -4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.849 4.662 -4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.698 5.660 -5.711 1.00 0.00 H new ATOM 736 N PHE A 55 -3.961 4.666 -3.796 1.00 0.00 N ATOM 737 CA PHE A 55 -5.360 4.989 -3.525 1.00 0.00 C ATOM 738 C PHE A 55 -5.564 5.359 -2.057 1.00 0.00 C ATOM 739 O PHE A 55 -5.035 4.695 -1.161 1.00 0.00 O ATOM 740 CB PHE A 55 -6.264 3.810 -3.893 1.00 0.00 C ATOM 741 CG PHE A 55 -7.700 4.205 -4.105 1.00 0.00 C ATOM 742 CD1 PHE A 55 -8.121 4.714 -5.324 1.00 0.00 C ATOM 743 CD2 PHE A 55 -8.628 4.068 -3.083 1.00 0.00 C ATOM 744 CE1 PHE A 55 -9.439 5.081 -5.519 1.00 0.00 C ATOM 745 CE2 PHE A 55 -9.946 4.433 -3.273 1.00 0.00 C ATOM 746 CZ PHE A 55 -10.354 4.939 -4.492 1.00 0.00 C ATOM 0 H PHE A 55 -3.573 3.940 -3.194 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.628 5.849 -4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.886 3.341 -4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.213 3.061 -3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.411 4.825 -6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.316 3.671 -2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.754 5.478 -6.473 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.658 4.323 -2.468 1.00 0.00 H new ATOM 0 HZ PHE A 55 -11.385 5.223 -4.642 1.00 0.00 H new ATOM 756 N ASP A 56 -6.336 6.419 -1.819 1.00 0.00 N ATOM 757 CA ASP A 56 -6.618 6.879 -0.460 1.00 0.00 C ATOM 758 C ASP A 56 -7.958 6.339 0.026 1.00 0.00 C ATOM 759 O ASP A 56 -8.977 6.487 -0.648 1.00 0.00 O ATOM 760 CB ASP A 56 -6.612 8.411 -0.395 1.00 0.00 C ATOM 761 CG ASP A 56 -7.621 9.048 -1.335 1.00 0.00 C ATOM 762 OD1 ASP A 56 -7.443 8.933 -2.566 1.00 0.00 O ATOM 763 OD2 ASP A 56 -8.588 9.665 -0.840 1.00 0.00 O ATOM 0 H ASP A 56 -6.778 6.976 -2.551 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.833 6.499 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.825 8.727 0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.614 8.776 -0.640 1.00 0.00 H new ATOM 768 N ILE A 57 -7.950 5.706 1.199 1.00 0.00 N ATOM 769 CA ILE A 57 -9.173 5.139 1.769 1.00 0.00 C ATOM 770 C ILE A 57 -9.856 6.116 2.731 1.00 0.00 C ATOM 771 O ILE A 57 -9.847 5.917 3.947 1.00 0.00 O ATOM 772 CB ILE A 57 -8.903 3.799 2.494 1.00 0.00 C ATOM 773 CG1 ILE A 57 -7.786 3.947 3.534 1.00 0.00 C ATOM 774 CG2 ILE A 57 -8.553 2.718 1.482 1.00 0.00 C ATOM 775 CD1 ILE A 57 -8.129 3.354 4.885 1.00 0.00 C ATOM 0 H ILE A 57 -7.116 5.573 1.771 1.00 0.00 H new ATOM 0 HA ILE A 57 -9.843 4.950 0.930 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.811 3.507 3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.883 3.468 3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.556 5.005 3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.365 1.779 2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.383 2.588 0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.660 3.012 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.292 3.497 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.013 3.850 5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.330 2.288 4.774 1.00 0.00 H new ATOM 787 N GLY A 58 -10.449 7.172 2.171 1.00 0.00 N ATOM 788 CA GLY A 58 -11.131 8.167 2.987 1.00 0.00 C ATOM 789 C GLY A 58 -12.608 8.316 2.648 1.00 0.00 C ATOM 790 O GLY A 58 -13.174 9.398 2.813 1.00 0.00 O ATOM 0 H GLY A 58 -10.469 7.356 1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.032 7.894 4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.637 9.131 2.860 1.00 0.00 H new ATOM 794 N SER A 59 -13.235 7.233 2.178 1.00 0.00 N ATOM 795 CA SER A 59 -14.658 7.262 1.824 1.00 0.00 C ATOM 796 C SER A 59 -15.442 6.200 2.591 1.00 0.00 C ATOM 797 O SER A 59 -16.522 6.475 3.118 1.00 0.00 O ATOM 798 CB SER A 59 -14.848 7.052 0.318 1.00 0.00 C ATOM 799 OG SER A 59 -14.922 8.292 -0.369 1.00 0.00 O ATOM 0 H SER A 59 -12.783 6.330 2.034 1.00 0.00 H new ATOM 0 HA SER A 59 -15.041 8.244 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.020 6.464 -0.077 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.759 6.480 0.140 1.00 0.00 H new ATOM 0 HG SER A 59 -15.041 8.128 -1.328 1.00 0.00 H new ATOM 805 N LEU A 60 -14.898 4.986 2.638 1.00 0.00 N ATOM 806 CA LEU A 60 -15.545 3.871 3.327 1.00 0.00 C ATOM 807 C LEU A 60 -15.905 4.229 4.776 1.00 0.00 C ATOM 808 O LEU A 60 -15.043 4.611 5.569 1.00 0.00 O ATOM 809 CB LEU A 60 -14.665 2.606 3.269 1.00 0.00 C ATOM 810 CG LEU A 60 -13.356 2.606 4.090 1.00 0.00 C ATOM 811 CD1 LEU A 60 -12.631 3.946 4.012 1.00 0.00 C ATOM 812 CD2 LEU A 60 -13.626 2.220 5.537 1.00 0.00 C ATOM 0 H LEU A 60 -14.006 4.748 2.205 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.479 3.660 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.269 1.761 3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.407 2.424 2.226 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.698 1.858 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.717 3.900 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.381 4.164 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.277 4.732 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.690 2.227 6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.319 2.935 5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.062 1.222 5.572 1.00 0.00 H new ATOM 824 N PRO A 61 -17.201 4.114 5.135 1.00 0.00 N ATOM 825 CA PRO A 61 -17.690 4.423 6.484 1.00 0.00 C ATOM 826 C PRO A 61 -17.224 3.389 7.509 1.00 0.00 C ATOM 827 O PRO A 61 -16.392 2.530 7.203 1.00 0.00 O ATOM 828 CB PRO A 61 -19.223 4.389 6.339 1.00 0.00 C ATOM 829 CG PRO A 61 -19.488 4.346 4.870 1.00 0.00 C ATOM 830 CD PRO A 61 -18.296 3.678 4.260 1.00 0.00 C ATOM 0 HA PRO A 61 -17.314 5.380 6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -19.644 3.517 6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -19.679 5.268 6.794 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -20.401 3.791 4.653 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -19.622 5.350 4.467 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.400 2.593 4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -18.140 3.992 3.228 1.00 0.00 H new ATOM 838 N ARG A 62 -17.765 3.469 8.724 1.00 0.00 N ATOM 839 CA ARG A 62 -17.398 2.532 9.785 1.00 0.00 C ATOM 840 C ARG A 62 -17.896 1.117 9.474 1.00 0.00 C ATOM 841 O ARG A 62 -17.266 0.135 9.866 1.00 0.00 O ATOM 842 CB ARG A 62 -17.942 3.006 11.138 1.00 0.00 C ATOM 843 CG ARG A 62 -17.226 4.238 11.678 1.00 0.00 C ATOM 844 CD ARG A 62 -17.121 4.212 13.198 1.00 0.00 C ATOM 845 NE ARG A 62 -17.499 5.494 13.797 1.00 0.00 N ATOM 846 CZ ARG A 62 -17.854 5.646 15.077 1.00 0.00 C ATOM 847 NH1 ARG A 62 -17.870 4.605 15.905 1.00 0.00 N ATOM 848 NH2 ARG A 62 -18.191 6.848 15.534 1.00 0.00 N ATOM 0 H ARG A 62 -18.455 4.169 8.997 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.310 2.501 9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -19.005 3.227 11.037 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.852 2.196 11.862 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.227 4.296 11.246 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.761 5.135 11.366 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.763 3.424 13.592 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -16.099 3.964 13.486 1.00 0.00 H new ATOM 0 HE ARG A 62 -17.491 6.322 13.201 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.610 3.679 15.565 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -18.143 4.733 16.880 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -18.179 7.653 14.908 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.462 6.965 16.510 1.00 0.00 H new ATOM 862 N ASN A 63 -19.023 1.020 8.763 1.00 0.00 N ATOM 863 CA ASN A 63 -19.593 -0.279 8.400 1.00 0.00 C ATOM 864 C ASN A 63 -18.768 -0.962 7.307 1.00 0.00 C ATOM 865 O ASN A 63 -18.452 -2.147 7.412 1.00 0.00 O ATOM 866 CB ASN A 63 -21.046 -0.123 7.939 1.00 0.00 C ATOM 867 CG ASN A 63 -21.939 -1.243 8.447 1.00 0.00 C ATOM 868 OD1 ASN A 63 -21.636 -1.886 9.451 1.00 0.00 O ATOM 869 ND2 ASN A 63 -23.049 -1.485 7.755 1.00 0.00 N ATOM 0 H ASN A 63 -19.556 1.823 8.429 1.00 0.00 H new ATOM 0 HA ASN A 63 -19.570 -0.908 9.290 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -21.434 0.834 8.288 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -21.078 -0.102 6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -23.684 -2.226 8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -23.265 -0.929 6.927 1.00 0.00 H new ATOM 876 N GLU A 64 -18.420 -0.209 6.259 1.00 0.00 N ATOM 877 CA GLU A 64 -17.629 -0.751 5.152 1.00 0.00 C ATOM 878 C GLU A 64 -16.249 -1.205 5.631 1.00 0.00 C ATOM 879 O GLU A 64 -15.700 -2.186 5.122 1.00 0.00 O ATOM 880 CB GLU A 64 -17.485 0.297 4.043 1.00 0.00 C ATOM 881 CG GLU A 64 -16.875 -0.243 2.756 1.00 0.00 C ATOM 882 CD GLU A 64 -17.809 -1.185 2.018 1.00 0.00 C ATOM 883 OE1 GLU A 64 -18.886 -0.729 1.580 1.00 0.00 O ATOM 884 OE2 GLU A 64 -17.463 -2.377 1.877 1.00 0.00 O ATOM 0 H GLU A 64 -18.673 0.774 6.155 1.00 0.00 H new ATOM 0 HA GLU A 64 -18.153 -1.621 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -18.468 0.713 3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.867 1.117 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.616 0.591 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.947 -0.766 2.989 1.00 0.00 H new ATOM 891 N GLN A 65 -15.695 -0.489 6.614 1.00 0.00 N ATOM 892 CA GLN A 65 -14.381 -0.816 7.169 1.00 0.00 C ATOM 893 C GLN A 65 -14.334 -2.255 7.688 1.00 0.00 C ATOM 894 O GLN A 65 -13.289 -2.904 7.635 1.00 0.00 O ATOM 895 CB GLN A 65 -14.025 0.159 8.296 1.00 0.00 C ATOM 896 CG GLN A 65 -12.539 0.203 8.620 1.00 0.00 C ATOM 897 CD GLN A 65 -12.118 1.513 9.259 1.00 0.00 C ATOM 898 OE1 GLN A 65 -12.077 2.553 8.599 1.00 0.00 O ATOM 899 NE2 GLN A 65 -11.803 1.472 10.549 1.00 0.00 N ATOM 0 H GLN A 65 -16.139 0.323 7.042 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.649 -0.723 6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.357 1.159 8.017 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.576 -0.121 9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.293 -0.620 9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.967 0.049 7.705 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.851 0.589 11.058 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.514 2.323 11.031 1.00 0.00 H new ATOM 908 N GLU A 66 -15.470 -2.748 8.188 1.00 0.00 N ATOM 909 CA GLU A 66 -15.550 -4.111 8.713 1.00 0.00 C ATOM 910 C GLU A 66 -15.154 -5.129 7.647 1.00 0.00 C ATOM 911 O GLU A 66 -14.271 -5.961 7.870 1.00 0.00 O ATOM 912 CB GLU A 66 -16.965 -4.406 9.219 1.00 0.00 C ATOM 913 CG GLU A 66 -17.130 -5.805 9.796 1.00 0.00 C ATOM 914 CD GLU A 66 -17.984 -5.825 11.049 1.00 0.00 C ATOM 915 OE1 GLU A 66 -19.224 -5.743 10.924 1.00 0.00 O ATOM 916 OE2 GLU A 66 -17.413 -5.924 12.155 1.00 0.00 O ATOM 0 H GLU A 66 -16.344 -2.225 8.240 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.851 -4.194 9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.228 -3.674 9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.669 -4.276 8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.581 -6.453 9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.147 -6.217 10.025 1.00 0.00 H new ATOM 923 N LYS A 67 -15.806 -5.056 6.488 1.00 0.00 N ATOM 924 CA LYS A 67 -15.515 -5.970 5.384 1.00 0.00 C ATOM 925 C LYS A 67 -14.067 -5.814 4.927 1.00 0.00 C ATOM 926 O LYS A 67 -13.386 -6.802 4.648 1.00 0.00 O ATOM 927 CB LYS A 67 -16.471 -5.719 4.214 1.00 0.00 C ATOM 928 CG LYS A 67 -17.930 -5.987 4.553 1.00 0.00 C ATOM 929 CD LYS A 67 -18.864 -5.475 3.468 1.00 0.00 C ATOM 930 CE LYS A 67 -20.045 -6.412 3.261 1.00 0.00 C ATOM 931 NZ LYS A 67 -20.936 -6.466 4.457 1.00 0.00 N ATOM 0 H LYS A 67 -16.538 -4.375 6.289 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.659 -6.991 5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -16.367 -4.685 3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.179 -6.351 3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -18.081 -7.058 4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -18.177 -5.509 5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.228 -4.484 3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.314 -5.369 2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -20.620 -6.083 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -19.678 -7.414 3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -21.736 -7.103 4.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -20.399 -6.820 5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -21.295 -5.513 4.666 1.00 0.00 H new ATOM 945 N TRP A 68 -13.598 -4.566 4.868 1.00 0.00 N ATOM 946 CA TRP A 68 -12.225 -4.277 4.462 1.00 0.00 C ATOM 947 C TRP A 68 -11.221 -4.907 5.432 1.00 0.00 C ATOM 948 O TRP A 68 -10.156 -5.364 5.018 1.00 0.00 O ATOM 949 CB TRP A 68 -12.000 -2.763 4.385 1.00 0.00 C ATOM 950 CG TRP A 68 -11.014 -2.354 3.330 1.00 0.00 C ATOM 951 CD1 TRP A 68 -9.704 -2.015 3.520 1.00 0.00 C ATOM 952 CD2 TRP A 68 -11.259 -2.235 1.922 1.00 0.00 C ATOM 953 NE1 TRP A 68 -9.120 -1.694 2.319 1.00 0.00 N ATOM 954 CE2 TRP A 68 -10.052 -1.821 1.322 1.00 0.00 C ATOM 955 CE3 TRP A 68 -12.378 -2.438 1.111 1.00 0.00 C ATOM 956 CZ2 TRP A 68 -9.938 -1.606 -0.049 1.00 0.00 C ATOM 957 CZ3 TRP A 68 -12.263 -2.226 -0.251 1.00 0.00 C ATOM 958 CH2 TRP A 68 -11.050 -1.815 -0.818 1.00 0.00 C ATOM 0 H TRP A 68 -14.151 -3.740 5.097 1.00 0.00 H new ATOM 0 HA TRP A 68 -12.067 -4.711 3.475 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -12.953 -2.272 4.189 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -11.651 -2.406 5.354 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -9.201 -2.001 4.476 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -8.150 -1.407 2.190 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -13.317 -2.755 1.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -9.005 -1.286 -0.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -13.122 -2.380 -0.887 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -10.991 -1.660 -1.885 1.00 0.00 H new ATOM 969 N ARG A 69 -11.568 -4.925 6.724 1.00 0.00 N ATOM 970 CA ARG A 69 -10.692 -5.498 7.748 1.00 0.00 C ATOM 971 C ARG A 69 -10.425 -6.978 7.487 1.00 0.00 C ATOM 972 O ARG A 69 -9.272 -7.404 7.412 1.00 0.00 O ATOM 973 CB ARG A 69 -11.309 -5.329 9.141 1.00 0.00 C ATOM 974 CG ARG A 69 -10.837 -4.087 9.880 1.00 0.00 C ATOM 975 CD ARG A 69 -10.744 -4.335 11.378 1.00 0.00 C ATOM 976 NE ARG A 69 -12.060 -4.529 11.990 1.00 0.00 N ATOM 977 CZ ARG A 69 -12.255 -5.118 13.173 1.00 0.00 C ATOM 978 NH1 ARG A 69 -11.224 -5.569 13.884 1.00 0.00 N ATOM 979 NH2 ARG A 69 -13.487 -5.256 13.650 1.00 0.00 N ATOM 0 H ARG A 69 -12.446 -4.550 7.083 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.745 -4.961 7.704 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.394 -5.291 9.044 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.073 -6.208 9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.862 -3.783 9.499 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.525 -3.264 9.688 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.127 -5.215 11.561 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.245 -3.491 11.854 1.00 0.00 H new ATOM 0 HE ARG A 69 -12.878 -4.194 11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.274 -5.466 13.527 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.384 -6.017 14.786 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.283 -4.912 13.113 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.637 -5.706 14.553 1.00 0.00 H new ATOM 993 N ILE A 70 -11.496 -7.759 7.356 1.00 0.00 N ATOM 994 CA ILE A 70 -11.371 -9.193 7.110 1.00 0.00 C ATOM 995 C ILE A 70 -10.826 -9.463 5.711 1.00 0.00 C ATOM 996 O ILE A 70 -9.999 -10.356 5.521 1.00 0.00 O ATOM 997 CB ILE A 70 -12.719 -9.928 7.290 1.00 0.00 C ATOM 998 CG1 ILE A 70 -13.343 -9.581 8.648 1.00 0.00 C ATOM 999 CG2 ILE A 70 -12.523 -11.433 7.163 1.00 0.00 C ATOM 1000 CD1 ILE A 70 -14.847 -9.413 8.601 1.00 0.00 C ATOM 0 H ILE A 70 -12.457 -7.423 7.416 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.669 -9.578 7.849 1.00 0.00 H new ATOM 0 HB ILE A 70 -13.400 -9.600 6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.096 -10.366 9.363 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -12.895 -8.659 9.019 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -13.481 -11.937 7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.121 -11.666 6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.827 -11.775 7.929 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -15.217 -9.169 9.597 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.102 -8.608 7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -15.306 -10.341 8.261 1.00 0.00 H new ATOM 1012 N ALA A 71 -11.285 -8.680 4.734 1.00 0.00 N ATOM 1013 CA ALA A 71 -10.836 -8.830 3.352 1.00 0.00 C ATOM 1014 C ALA A 71 -9.319 -8.684 3.254 1.00 0.00 C ATOM 1015 O ALA A 71 -8.653 -9.490 2.604 1.00 0.00 O ATOM 1016 CB ALA A 71 -11.525 -7.812 2.453 1.00 0.00 C ATOM 0 H ALA A 71 -11.968 -7.936 4.876 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.106 -9.831 3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.178 -7.939 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.604 -7.963 2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -11.287 -6.805 2.795 1.00 0.00 H new ATOM 1022 N PHE A 72 -8.782 -7.655 3.912 1.00 0.00 N ATOM 1023 CA PHE A 72 -7.341 -7.406 3.903 1.00 0.00 C ATOM 1024 C PHE A 72 -6.578 -8.553 4.566 1.00 0.00 C ATOM 1025 O PHE A 72 -5.582 -9.031 4.028 1.00 0.00 O ATOM 1026 CB PHE A 72 -7.019 -6.083 4.608 1.00 0.00 C ATOM 1027 CG PHE A 72 -6.560 -4.997 3.674 1.00 0.00 C ATOM 1028 CD1 PHE A 72 -7.224 -4.763 2.477 1.00 0.00 C ATOM 1029 CD2 PHE A 72 -5.460 -4.215 3.988 1.00 0.00 C ATOM 1030 CE1 PHE A 72 -6.799 -3.768 1.618 1.00 0.00 C ATOM 1031 CE2 PHE A 72 -5.032 -3.220 3.131 1.00 0.00 C ATOM 1032 CZ PHE A 72 -5.701 -2.997 1.945 1.00 0.00 C ATOM 0 H PHE A 72 -9.322 -6.983 4.456 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.022 -7.339 2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.906 -5.741 5.142 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.245 -6.259 5.355 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.081 -5.365 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.931 -4.386 4.914 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.325 -3.593 0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.174 -2.617 3.389 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.366 -2.220 1.273 1.00 0.00 H new ATOM 1042 N GLN A 73 -7.053 -8.993 5.734 1.00 0.00 N ATOM 1043 CA GLN A 73 -6.407 -10.089 6.457 1.00 0.00 C ATOM 1044 C GLN A 73 -6.437 -11.388 5.644 1.00 0.00 C ATOM 1045 O GLN A 73 -5.579 -12.253 5.814 1.00 0.00 O ATOM 1046 CB GLN A 73 -7.078 -10.311 7.815 1.00 0.00 C ATOM 1047 CG GLN A 73 -6.089 -10.545 8.948 1.00 0.00 C ATOM 1048 CD GLN A 73 -6.251 -11.907 9.601 1.00 0.00 C ATOM 1049 OE1 GLN A 73 -6.529 -12.901 8.929 1.00 0.00 O ATOM 1050 NE2 GLN A 73 -6.074 -11.962 10.918 1.00 0.00 N ATOM 0 H GLN A 73 -7.877 -8.609 6.196 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.366 -9.807 6.616 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.694 -9.444 8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.748 -11.168 7.745 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.074 -10.451 8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.217 -9.768 9.702 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.845 -11.115 11.438 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.168 -12.851 11.408 1.00 0.00 H new ATOM 1059 N LYS A 74 -7.426 -11.519 4.757 1.00 0.00 N ATOM 1060 CA LYS A 74 -7.554 -12.708 3.924 1.00 0.00 C ATOM 1061 C LYS A 74 -6.633 -12.631 2.704 1.00 0.00 C ATOM 1062 O LYS A 74 -6.163 -13.657 2.211 1.00 0.00 O ATOM 1063 CB LYS A 74 -9.006 -12.876 3.470 1.00 0.00 C ATOM 1064 CG LYS A 74 -9.547 -14.288 3.646 1.00 0.00 C ATOM 1065 CD LYS A 74 -10.897 -14.462 2.963 1.00 0.00 C ATOM 1066 CE LYS A 74 -11.517 -15.818 3.278 1.00 0.00 C ATOM 1067 NZ LYS A 74 -12.229 -15.824 4.590 1.00 0.00 N ATOM 0 H LYS A 74 -8.147 -10.815 4.600 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.258 -13.571 4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.634 -12.184 4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.083 -12.596 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.836 -15.004 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.645 -14.511 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.573 -13.669 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.775 -14.359 1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.216 -16.088 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.736 -16.579 3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.634 -16.767 4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.558 -15.592 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.992 -15.117 4.574 1.00 0.00 H new ATOM 1081 N VAL A 75 -6.382 -11.413 2.219 1.00 0.00 N ATOM 1082 CA VAL A 75 -5.523 -11.216 1.054 1.00 0.00 C ATOM 1083 C VAL A 75 -4.048 -11.187 1.449 1.00 0.00 C ATOM 1084 O VAL A 75 -3.218 -11.841 0.815 1.00 0.00 O ATOM 1085 CB VAL A 75 -5.870 -9.914 0.296 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -5.028 -9.787 -0.966 1.00 0.00 C ATOM 1087 CG2 VAL A 75 -7.356 -9.863 -0.040 1.00 0.00 C ATOM 0 H VAL A 75 -6.761 -10.552 2.615 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.702 -12.064 0.393 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.640 -9.070 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.287 -8.864 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.972 -9.768 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.221 -10.638 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.577 -8.938 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.616 -10.715 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.939 -9.899 0.881 1.00 0.00 H new ATOM 1097 N VAL A 76 -3.722 -10.421 2.490 1.00 0.00 N ATOM 1098 CA VAL A 76 -2.337 -10.312 2.947 1.00 0.00 C ATOM 1099 C VAL A 76 -2.155 -10.817 4.379 1.00 0.00 C ATOM 1100 O VAL A 76 -1.143 -11.447 4.693 1.00 0.00 O ATOM 1101 CB VAL A 76 -1.809 -8.863 2.851 1.00 0.00 C ATOM 1102 CG1 VAL A 76 -1.470 -8.517 1.409 1.00 0.00 C ATOM 1103 CG2 VAL A 76 -2.811 -7.870 3.425 1.00 0.00 C ATOM 0 H VAL A 76 -4.391 -9.871 3.029 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.757 -10.947 2.277 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.899 -8.795 3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.099 -7.493 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.703 -9.199 1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.364 -8.610 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.410 -6.860 3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.747 -7.935 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.994 -8.103 4.474 1.00 0.00 H new ATOM 1113 N GLY A 77 -3.125 -10.531 5.249 1.00 0.00 N ATOM 1114 CA GLY A 77 -3.032 -10.960 6.636 1.00 0.00 C ATOM 1115 C GLY A 77 -2.421 -9.902 7.538 1.00 0.00 C ATOM 1116 O GLY A 77 -1.728 -10.229 8.504 1.00 0.00 O ATOM 0 H GLY A 77 -3.971 -10.011 5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.028 -11.212 7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.433 -11.869 6.691 1.00 0.00 H new ATOM 1120 N SER A 78 -2.677 -8.630 7.227 1.00 0.00 N ATOM 1121 CA SER A 78 -2.148 -7.524 8.015 1.00 0.00 C ATOM 1122 C SER A 78 -3.129 -6.353 8.026 1.00 0.00 C ATOM 1123 O SER A 78 -3.322 -5.685 7.008 1.00 0.00 O ATOM 1124 CB SER A 78 -0.795 -7.074 7.453 1.00 0.00 C ATOM 1125 OG SER A 78 0.059 -6.618 8.488 1.00 0.00 O ATOM 0 H SER A 78 -3.249 -8.344 6.433 1.00 0.00 H new ATOM 0 HA SER A 78 -2.009 -7.867 9.040 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.323 -7.903 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.947 -6.278 6.724 1.00 0.00 H new ATOM 0 HG SER A 78 0.917 -6.338 8.105 1.00 0.00 H new ATOM 1131 N ARG A 79 -3.747 -6.108 9.182 1.00 0.00 N ATOM 1132 CA ARG A 79 -4.703 -5.014 9.321 1.00 0.00 C ATOM 1133 C ARG A 79 -4.039 -3.797 9.966 1.00 0.00 C ATOM 1134 O ARG A 79 -4.620 -3.139 10.833 1.00 0.00 O ATOM 1135 CB ARG A 79 -5.913 -5.467 10.150 1.00 0.00 C ATOM 1136 CG ARG A 79 -7.217 -4.802 9.729 1.00 0.00 C ATOM 1137 CD ARG A 79 -7.471 -3.525 10.518 1.00 0.00 C ATOM 1138 NE ARG A 79 -7.202 -2.324 9.725 1.00 0.00 N ATOM 1139 CZ ARG A 79 -7.117 -1.094 10.237 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -7.299 -0.889 11.541 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -6.853 -0.062 9.445 1.00 0.00 N ATOM 0 H ARG A 79 -3.602 -6.652 10.032 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.048 -4.729 8.327 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.020 -6.548 10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.726 -5.250 11.202 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.182 -4.572 8.664 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -8.045 -5.495 9.879 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.506 -3.510 10.858 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.843 -3.519 11.409 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.071 -2.434 8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.505 -1.675 12.157 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.232 0.054 11.923 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.715 -0.209 8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.788 0.878 9.836 1.00 0.00 H new ATOM 1155 N ASN A 80 -2.813 -3.505 9.532 1.00 0.00 N ATOM 1156 CA ASN A 80 -2.060 -2.371 10.057 1.00 0.00 C ATOM 1157 C ASN A 80 -1.728 -1.385 8.942 1.00 0.00 C ATOM 1158 O ASN A 80 -1.199 -1.775 7.900 1.00 0.00 O ATOM 1159 CB ASN A 80 -0.775 -2.853 10.736 1.00 0.00 C ATOM 1160 CG ASN A 80 -0.181 -1.810 11.666 1.00 0.00 C ATOM 1161 OD1 ASN A 80 0.446 -0.786 11.096 1.00 0.00 O flip ATOM 1162 ND2 ASN A 80 -0.287 -1.923 12.886 1.00 0.00 N flip ATOM 0 H ASN A 80 -2.321 -4.041 8.817 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.678 -1.862 10.797 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.985 -3.761 11.301 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.041 -3.115 9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.776 -2.725 13.283 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.114 -1.215 13.501 1.00 0.00 H new ATOM 1169 N LEU A 81 -2.037 -0.109 9.169 1.00 0.00 N ATOM 1170 CA LEU A 81 -1.770 0.935 8.185 1.00 0.00 C ATOM 1171 C LEU A 81 -0.450 1.646 8.481 1.00 0.00 C ATOM 1172 O LEU A 81 -0.062 1.780 9.642 1.00 0.00 O ATOM 1173 CB LEU A 81 -2.915 1.950 8.165 1.00 0.00 C ATOM 1174 CG LEU A 81 -4.237 1.425 7.602 1.00 0.00 C ATOM 1175 CD1 LEU A 81 -5.325 2.478 7.736 1.00 0.00 C ATOM 1176 CD2 LEU A 81 -4.065 1.006 6.148 1.00 0.00 C ATOM 0 H LEU A 81 -2.473 0.226 10.028 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.693 0.462 7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.085 2.302 9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.605 2.813 7.576 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.538 0.549 8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.259 2.089 7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.462 2.728 8.788 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.035 3.373 7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.014 0.635 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.744 1.864 5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.314 0.219 6.083 1.00 0.00 H new ATOM 1188 N PRO A 82 0.261 2.111 7.433 1.00 0.00 N ATOM 1189 CA PRO A 82 -0.166 1.973 6.034 1.00 0.00 C ATOM 1190 C PRO A 82 0.006 0.548 5.507 1.00 0.00 C ATOM 1191 O PRO A 82 0.674 -0.278 6.130 1.00 0.00 O ATOM 1192 CB PRO A 82 0.755 2.939 5.268 1.00 0.00 C ATOM 1193 CG PRO A 82 1.522 3.689 6.311 1.00 0.00 C ATOM 1194 CD PRO A 82 1.542 2.815 7.529 1.00 0.00 C ATOM 0 HA PRO A 82 -1.227 2.196 5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.427 2.394 4.605 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.175 3.620 4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.535 3.903 5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.049 4.647 6.528 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.386 2.125 7.520 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.617 3.399 8.447 1.00 0.00 H new ATOM 1202 N THR A 83 -0.601 0.272 4.353 1.00 0.00 N ATOM 1203 CA THR A 83 -0.522 -1.048 3.737 1.00 0.00 C ATOM 1204 C THR A 83 -0.004 -0.955 2.304 1.00 0.00 C ATOM 1205 O THR A 83 -0.657 -0.372 1.435 1.00 0.00 O ATOM 1206 CB THR A 83 -1.898 -1.724 3.748 1.00 0.00 C ATOM 1207 OG1 THR A 83 -2.933 -0.776 3.548 1.00 0.00 O ATOM 1208 CG2 THR A 83 -2.196 -2.463 5.036 1.00 0.00 C ATOM 0 H THR A 83 -1.154 0.948 3.826 1.00 0.00 H new ATOM 0 HA THR A 83 0.178 -1.648 4.319 1.00 0.00 H new ATOM 0 HB THR A 83 -1.864 -2.446 2.932 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.600 -0.041 2.992 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.185 -2.917 4.975 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.449 -3.241 5.190 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.169 -1.763 5.871 1.00 0.00 H new ATOM 1216 N ILE A 84 1.173 -1.533 2.064 1.00 0.00 N ATOM 1217 CA ILE A 84 1.784 -1.518 0.738 1.00 0.00 C ATOM 1218 C ILE A 84 1.758 -2.912 0.110 1.00 0.00 C ATOM 1219 O ILE A 84 2.457 -3.819 0.567 1.00 0.00 O ATOM 1220 CB ILE A 84 3.244 -1.021 0.794 1.00 0.00 C ATOM 1221 CG1 ILE A 84 3.340 0.275 1.607 1.00 0.00 C ATOM 1222 CG2 ILE A 84 3.796 -0.817 -0.611 1.00 0.00 C ATOM 1223 CD1 ILE A 84 4.763 0.721 1.864 1.00 0.00 C ATOM 0 H ILE A 84 1.722 -2.018 2.773 1.00 0.00 H new ATOM 0 HA ILE A 84 1.199 -0.831 0.127 1.00 0.00 H new ATOM 0 HB ILE A 84 3.847 -1.782 1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.809 1.067 1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.833 0.134 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.826 -0.466 -0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.766 -1.761 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.192 -0.077 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.756 1.644 2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.292 -0.053 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.267 0.894 0.913 1.00 0.00 H new ATOM 1235 N VAL A 85 0.953 -3.072 -0.942 1.00 0.00 N ATOM 1236 CA VAL A 85 0.839 -4.353 -1.637 1.00 0.00 C ATOM 1237 C VAL A 85 1.440 -4.279 -3.043 1.00 0.00 C ATOM 1238 O VAL A 85 0.960 -3.532 -3.897 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.631 -4.826 -1.733 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -1.108 -5.360 -0.391 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -1.540 -3.704 -2.220 1.00 0.00 C ATOM 0 H VAL A 85 0.371 -2.330 -1.330 1.00 0.00 H new ATOM 0 HA VAL A 85 1.400 -5.077 -1.046 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.678 -5.634 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.144 -5.688 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.484 -6.202 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.038 -4.573 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.566 -4.066 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.489 -2.867 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.215 -3.375 -3.207 1.00 0.00 H new ATOM 1251 N VAL A 86 2.496 -5.058 -3.273 1.00 0.00 N ATOM 1252 CA VAL A 86 3.168 -5.083 -4.572 1.00 0.00 C ATOM 1253 C VAL A 86 3.151 -6.490 -5.166 1.00 0.00 C ATOM 1254 O VAL A 86 3.512 -7.457 -4.495 1.00 0.00 O ATOM 1255 CB VAL A 86 4.628 -4.595 -4.462 1.00 0.00 C ATOM 1256 CG1 VAL A 86 5.249 -4.437 -5.843 1.00 0.00 C ATOM 1257 CG2 VAL A 86 4.699 -3.285 -3.686 1.00 0.00 C ATOM 0 H VAL A 86 2.905 -5.681 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 86 2.621 -4.406 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 86 5.199 -5.347 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.278 -4.092 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.237 -5.397 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.677 -3.709 -6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.736 -2.957 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.111 -2.525 -4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.301 -3.434 -2.683 1.00 0.00 H new ATOM 1267 N ASN A 87 2.720 -6.595 -6.426 1.00 0.00 N ATOM 1268 CA ASN A 87 2.645 -7.883 -7.117 1.00 0.00 C ATOM 1269 C ASN A 87 1.691 -8.836 -6.395 1.00 0.00 C ATOM 1270 O ASN A 87 1.936 -10.043 -6.326 1.00 0.00 O ATOM 1271 CB ASN A 87 4.037 -8.517 -7.236 1.00 0.00 C ATOM 1272 CG ASN A 87 4.765 -8.083 -8.492 1.00 0.00 C ATOM 1273 OD1 ASN A 87 5.568 -7.149 -8.465 1.00 0.00 O ATOM 1274 ND2 ASN A 87 4.492 -8.759 -9.604 1.00 0.00 N ATOM 0 H ASN A 87 2.417 -5.800 -6.989 1.00 0.00 H new ATOM 0 HA ASN A 87 2.258 -7.702 -8.120 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.632 -8.247 -6.363 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.940 -9.603 -7.232 1.00 0.00 H new ATOM 0 HD21 ASN A 87 4.954 -8.510 -10.478 1.00 0.00 H new ATOM 0 HD22 ASN A 87 3.820 -9.526 -9.583 1.00 0.00 H new ATOM 1281 N GLY A 88 0.600 -8.285 -5.860 1.00 0.00 N ATOM 1282 CA GLY A 88 -0.379 -9.095 -5.151 1.00 0.00 C ATOM 1283 C GLY A 88 0.194 -9.768 -3.919 1.00 0.00 C ATOM 1284 O GLY A 88 0.008 -10.970 -3.719 1.00 0.00 O ATOM 0 H GLY A 88 0.378 -7.291 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.220 -8.466 -4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.771 -9.856 -5.826 1.00 0.00 H new ATOM 1288 N LYS A 89 0.890 -8.993 -3.093 1.00 0.00 N ATOM 1289 CA LYS A 89 1.492 -9.511 -1.872 1.00 0.00 C ATOM 1290 C LYS A 89 2.075 -8.375 -1.034 1.00 0.00 C ATOM 1291 O LYS A 89 2.725 -7.469 -1.559 1.00 0.00 O ATOM 1292 CB LYS A 89 2.581 -10.542 -2.198 1.00 0.00 C ATOM 1293 CG LYS A 89 3.596 -10.067 -3.226 1.00 0.00 C ATOM 1294 CD LYS A 89 4.803 -10.991 -3.292 1.00 0.00 C ATOM 1295 CE LYS A 89 4.703 -11.957 -4.464 1.00 0.00 C ATOM 1296 NZ LYS A 89 5.843 -12.915 -4.494 1.00 0.00 N ATOM 0 H LYS A 89 1.051 -7.998 -3.250 1.00 0.00 H new ATOM 0 HA LYS A 89 0.711 -10.004 -1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.106 -10.804 -1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.107 -11.452 -2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.124 -10.015 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.923 -9.058 -2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.712 -10.397 -3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.883 -11.553 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.766 -12.510 -4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.677 -11.394 -5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.737 -13.555 -5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.736 -12.389 -4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.853 -13.471 -3.615 1.00 0.00 H new ATOM 1310 N PHE A 90 1.827 -8.434 0.271 1.00 0.00 N ATOM 1311 CA PHE A 90 2.315 -7.416 1.203 1.00 0.00 C ATOM 1312 C PHE A 90 3.840 -7.391 1.240 1.00 0.00 C ATOM 1313 O PHE A 90 4.473 -8.268 1.831 1.00 0.00 O ATOM 1314 CB PHE A 90 1.762 -7.671 2.609 1.00 0.00 C ATOM 1315 CG PHE A 90 1.580 -6.421 3.425 1.00 0.00 C ATOM 1316 CD1 PHE A 90 0.606 -5.494 3.091 1.00 0.00 C ATOM 1317 CD2 PHE A 90 2.384 -6.175 4.528 1.00 0.00 C ATOM 1318 CE1 PHE A 90 0.436 -4.347 3.840 1.00 0.00 C ATOM 1319 CE2 PHE A 90 2.219 -5.028 5.280 1.00 0.00 C ATOM 1320 CZ PHE A 90 1.244 -4.113 4.936 1.00 0.00 C ATOM 0 H PHE A 90 1.288 -9.180 0.711 1.00 0.00 H new ATOM 0 HA PHE A 90 1.964 -6.445 0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.803 -8.182 2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.436 -8.344 3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.028 -5.671 2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.147 -6.888 4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.328 -3.633 3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.852 -4.847 6.136 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.113 -3.216 5.523 1.00 0.00 H new ATOM 1330 N TRP A 91 4.422 -6.379 0.601 1.00 0.00 N ATOM 1331 CA TRP A 91 5.873 -6.231 0.555 1.00 0.00 C ATOM 1332 C TRP A 91 6.348 -5.038 1.390 1.00 0.00 C ATOM 1333 O TRP A 91 7.489 -5.025 1.860 1.00 0.00 O ATOM 1334 CB TRP A 91 6.343 -6.080 -0.895 1.00 0.00 C ATOM 1335 CG TRP A 91 7.218 -7.208 -1.355 1.00 0.00 C ATOM 1336 CD1 TRP A 91 6.879 -8.527 -1.443 1.00 0.00 C ATOM 1337 CD2 TRP A 91 8.582 -7.115 -1.785 1.00 0.00 C ATOM 1338 NE1 TRP A 91 7.946 -9.259 -1.904 1.00 0.00 N ATOM 1339 CE2 TRP A 91 9.003 -8.415 -2.121 1.00 0.00 C ATOM 1340 CE3 TRP A 91 9.488 -6.058 -1.921 1.00 0.00 C ATOM 1341 CZ2 TRP A 91 10.289 -8.686 -2.585 1.00 0.00 C ATOM 1342 CZ3 TRP A 91 10.764 -6.329 -2.379 1.00 0.00 C ATOM 1343 CH2 TRP A 91 11.153 -7.633 -2.706 1.00 0.00 C ATOM 0 H TRP A 91 3.909 -5.648 0.107 1.00 0.00 H new ATOM 0 HA TRP A 91 6.311 -7.132 0.985 1.00 0.00 H new ATOM 0 HB2 TRP A 91 5.472 -6.016 -1.547 1.00 0.00 H new ATOM 0 HB3 TRP A 91 6.888 -5.142 -0.997 1.00 0.00 H new ATOM 0 HD1 TRP A 91 5.913 -8.936 -1.187 1.00 0.00 H new ATOM 0 HE1 TRP A 91 7.951 -10.267 -2.059 1.00 0.00 H new ATOM 0 HE3 TRP A 91 9.196 -5.048 -1.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 10.592 -9.691 -2.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 11.472 -5.521 -2.486 1.00 0.00 H new ATOM 0 HH2 TRP A 91 12.157 -7.811 -3.062 1.00 0.00 H new ATOM 1354 N GLY A 92 5.480 -4.039 1.573 1.00 0.00 N ATOM 1355 CA GLY A 92 5.857 -2.869 2.350 1.00 0.00 C ATOM 1356 C GLY A 92 5.008 -2.682 3.590 1.00 0.00 C ATOM 1357 O GLY A 92 3.793 -2.884 3.556 1.00 0.00 O ATOM 0 H GLY A 92 4.531 -4.021 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.903 -2.956 2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.774 -1.981 1.723 1.00 0.00 H new ATOM 1361 N THR A 93 5.653 -2.289 4.688 1.00 0.00 N ATOM 1362 CA THR A 93 4.960 -2.067 5.957 1.00 0.00 C ATOM 1363 C THR A 93 5.076 -0.607 6.406 1.00 0.00 C ATOM 1364 O THR A 93 5.539 0.252 5.652 1.00 0.00 O ATOM 1365 CB THR A 93 5.523 -2.992 7.047 1.00 0.00 C ATOM 1366 OG1 THR A 93 6.796 -2.542 7.488 1.00 0.00 O ATOM 1367 CG2 THR A 93 5.671 -4.433 6.603 1.00 0.00 C ATOM 0 H THR A 93 6.658 -2.117 4.724 1.00 0.00 H new ATOM 0 HA THR A 93 3.906 -2.296 5.802 1.00 0.00 H new ATOM 0 HB THR A 93 4.791 -2.954 7.854 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.134 -3.145 8.183 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.074 -5.027 7.423 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.696 -4.827 6.314 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.350 -4.483 5.752 1.00 0.00 H new ATOM 1375 N GLU A 94 4.654 -0.340 7.643 1.00 0.00 N ATOM 1376 CA GLU A 94 4.708 1.004 8.209 1.00 0.00 C ATOM 1377 C GLU A 94 6.131 1.362 8.648 1.00 0.00 C ATOM 1378 O GLU A 94 6.550 2.518 8.542 1.00 0.00 O ATOM 1379 CB GLU A 94 3.741 1.125 9.398 1.00 0.00 C ATOM 1380 CG GLU A 94 4.110 0.268 10.610 1.00 0.00 C ATOM 1381 CD GLU A 94 3.457 -1.110 10.615 1.00 0.00 C ATOM 1382 OE1 GLU A 94 3.082 -1.609 9.533 1.00 0.00 O ATOM 1383 OE2 GLU A 94 3.330 -1.694 11.713 1.00 0.00 O ATOM 0 H GLU A 94 4.269 -1.043 8.274 1.00 0.00 H new ATOM 0 HA GLU A 94 4.404 1.707 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.696 2.169 9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.741 0.848 9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.193 0.146 10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.823 0.798 11.518 1.00 0.00 H new ATOM 1390 N SER A 95 6.869 0.367 9.145 1.00 0.00 N ATOM 1391 CA SER A 95 8.242 0.583 9.605 1.00 0.00 C ATOM 1392 C SER A 95 9.238 0.518 8.451 1.00 0.00 C ATOM 1393 O SER A 95 10.238 1.236 8.453 1.00 0.00 O ATOM 1394 CB SER A 95 8.618 -0.448 10.675 1.00 0.00 C ATOM 1395 OG SER A 95 9.788 -0.055 11.373 1.00 0.00 O ATOM 0 H SER A 95 6.540 -0.594 9.239 1.00 0.00 H new ATOM 0 HA SER A 95 8.288 1.583 10.037 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.793 -0.565 11.378 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.778 -1.420 10.208 1.00 0.00 H new ATOM 0 HG SER A 95 10.006 -0.728 12.051 1.00 0.00 H new ATOM 1401 N GLN A 96 8.965 -0.343 7.468 1.00 0.00 N ATOM 1402 CA GLN A 96 9.847 -0.495 6.308 1.00 0.00 C ATOM 1403 C GLN A 96 10.212 0.859 5.697 1.00 0.00 C ATOM 1404 O GLN A 96 11.351 1.072 5.279 1.00 0.00 O ATOM 1405 CB GLN A 96 9.178 -1.380 5.248 1.00 0.00 C ATOM 1406 CG GLN A 96 10.038 -1.617 4.016 1.00 0.00 C ATOM 1407 CD GLN A 96 9.544 -0.851 2.803 1.00 0.00 C ATOM 1408 OE1 GLN A 96 9.707 0.365 2.718 1.00 0.00 O ATOM 1409 NE2 GLN A 96 8.934 -1.559 1.857 1.00 0.00 N ATOM 0 H GLN A 96 8.142 -0.945 7.452 1.00 0.00 H new ATOM 0 HA GLN A 96 10.766 -0.969 6.651 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.928 -2.342 5.696 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.240 -0.918 4.941 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.065 -1.324 4.233 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.052 -2.683 3.787 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.820 -2.567 1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.580 -1.095 1.021 1.00 0.00 H new ATOM 1418 N LEU A 97 9.238 1.770 5.650 1.00 0.00 N ATOM 1419 CA LEU A 97 9.454 3.104 5.085 1.00 0.00 C ATOM 1420 C LEU A 97 10.580 3.841 5.810 1.00 0.00 C ATOM 1421 O LEU A 97 11.543 4.286 5.185 1.00 0.00 O ATOM 1422 CB LEU A 97 8.162 3.929 5.148 1.00 0.00 C ATOM 1423 CG LEU A 97 6.905 3.223 4.631 1.00 0.00 C ATOM 1424 CD1 LEU A 97 5.656 3.989 5.039 1.00 0.00 C ATOM 1425 CD2 LEU A 97 6.968 3.061 3.117 1.00 0.00 C ATOM 0 H LEU A 97 8.292 1.609 5.996 1.00 0.00 H new ATOM 0 HA LEU A 97 9.747 2.978 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.991 4.227 6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.307 4.844 4.573 1.00 0.00 H new ATOM 0 HG LEU A 97 6.858 2.231 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.773 3.472 4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.605 4.050 6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.693 4.995 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.067 2.557 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.040 4.043 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.842 2.467 2.851 1.00 0.00 H new ATOM 1437 N HIS A 98 10.454 3.971 7.131 1.00 0.00 N ATOM 1438 CA HIS A 98 11.463 4.661 7.933 1.00 0.00 C ATOM 1439 C HIS A 98 12.735 3.825 8.074 1.00 0.00 C ATOM 1440 O HIS A 98 13.842 4.356 7.990 1.00 0.00 O ATOM 1441 CB HIS A 98 10.911 5.009 9.319 1.00 0.00 C ATOM 1442 CG HIS A 98 10.547 6.454 9.474 1.00 0.00 C ATOM 1443 ND1 HIS A 98 9.414 6.881 10.137 1.00 0.00 N ATOM 1444 CD2 HIS A 98 11.174 7.578 9.047 1.00 0.00 C ATOM 1445 CE1 HIS A 98 9.363 8.201 10.112 1.00 0.00 C ATOM 1446 NE2 HIS A 98 10.419 8.647 9.457 1.00 0.00 N ATOM 0 H HIS A 98 9.665 3.608 7.667 1.00 0.00 H new ATOM 0 HA HIS A 98 11.717 5.583 7.411 1.00 0.00 H new ATOM 0 HB2 HIS A 98 10.030 4.398 9.514 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.653 4.747 10.073 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.097 7.623 8.488 1.00 0.00 H new ATOM 0 HE1 HIS A 98 8.589 8.812 10.553 1.00 0.00 H new ATOM 0 HE2 HIS A 98 10.638 9.628 9.284 1.00 0.00 H new ATOM 1455 N ARG A 99 12.575 2.519 8.290 1.00 0.00 N ATOM 1456 CA ARG A 99 13.719 1.619 8.443 1.00 0.00 C ATOM 1457 C ARG A 99 14.632 1.672 7.218 1.00 0.00 C ATOM 1458 O ARG A 99 15.855 1.595 7.345 1.00 0.00 O ATOM 1459 CB ARG A 99 13.249 0.181 8.684 1.00 0.00 C ATOM 1460 CG ARG A 99 13.063 -0.169 10.153 1.00 0.00 C ATOM 1461 CD ARG A 99 14.397 -0.422 10.844 1.00 0.00 C ATOM 1462 NE ARG A 99 14.290 -0.324 12.300 1.00 0.00 N ATOM 1463 CZ ARG A 99 14.303 0.829 12.976 1.00 0.00 C ATOM 1464 NH1 ARG A 99 14.392 1.990 12.327 1.00 0.00 N ATOM 1465 NH2 ARG A 99 14.221 0.824 14.301 1.00 0.00 N ATOM 0 H ARG A 99 11.666 2.061 8.363 1.00 0.00 H new ATOM 0 HA ARG A 99 14.288 1.954 9.310 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.305 0.025 8.161 1.00 0.00 H new ATOM 0 HB3 ARG A 99 13.973 -0.506 8.246 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.540 0.643 10.657 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.434 -1.055 10.239 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.763 -1.413 10.574 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.133 0.298 10.486 1.00 0.00 H new ATOM 0 HE ARG A 99 14.200 -1.189 12.832 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.451 2.002 11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.401 2.866 12.849 1.00 0.00 H new ATOM 0 HH21 ARG A 99 14.148 -0.060 14.804 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.231 1.704 14.816 1.00 0.00 H new ATOM 1479 N PHE A 100 14.035 1.807 6.034 1.00 0.00 N ATOM 1480 CA PHE A 100 14.802 1.875 4.792 1.00 0.00 C ATOM 1481 C PHE A 100 15.410 3.263 4.601 1.00 0.00 C ATOM 1482 O PHE A 100 16.582 3.389 4.244 1.00 0.00 O ATOM 1483 CB PHE A 100 13.921 1.520 3.590 1.00 0.00 C ATOM 1484 CG PHE A 100 13.835 0.041 3.318 1.00 0.00 C ATOM 1485 CD1 PHE A 100 13.540 -0.851 4.339 1.00 0.00 C ATOM 1486 CD2 PHE A 100 14.051 -0.456 2.043 1.00 0.00 C ATOM 1487 CE1 PHE A 100 13.462 -2.208 4.091 1.00 0.00 C ATOM 1488 CE2 PHE A 100 13.976 -1.812 1.791 1.00 0.00 C ATOM 1489 CZ PHE A 100 13.681 -2.689 2.816 1.00 0.00 C ATOM 0 H PHE A 100 13.025 1.871 5.910 1.00 0.00 H new ATOM 0 HA PHE A 100 15.611 1.148 4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 100 12.917 1.908 3.760 1.00 0.00 H new ATOM 0 HB3 PHE A 100 14.311 2.021 2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 100 13.369 -0.480 5.339 1.00 0.00 H new ATOM 0 HD2 PHE A 100 14.281 0.225 1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 100 13.230 -2.892 4.894 1.00 0.00 H new ATOM 0 HE2 PHE A 100 14.148 -2.186 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 100 13.622 -3.749 2.620 1.00 0.00 H new ATOM 1499 N GLU A 101 14.609 4.304 4.840 1.00 0.00 N ATOM 1500 CA GLU A 101 15.075 5.684 4.695 1.00 0.00 C ATOM 1501 C GLU A 101 16.230 5.975 5.651 1.00 0.00 C ATOM 1502 O GLU A 101 17.219 6.604 5.271 1.00 0.00 O ATOM 1503 CB GLU A 101 13.929 6.671 4.945 1.00 0.00 C ATOM 1504 CG GLU A 101 14.001 7.919 4.074 1.00 0.00 C ATOM 1505 CD GLU A 101 13.035 7.883 2.900 1.00 0.00 C ATOM 1506 OE1 GLU A 101 11.877 7.456 3.088 1.00 0.00 O ATOM 1507 OE2 GLU A 101 13.441 8.291 1.790 1.00 0.00 O ATOM 0 H GLU A 101 13.636 4.217 5.134 1.00 0.00 H new ATOM 0 HA GLU A 101 15.432 5.809 3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.980 6.166 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.938 6.968 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.787 8.795 4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 101 15.017 8.034 3.697 1.00 0.00 H new ATOM 1514 N ALA A 102 16.098 5.507 6.891 1.00 0.00 N ATOM 1515 CA ALA A 102 17.128 5.707 7.910 1.00 0.00 C ATOM 1516 C ALA A 102 18.408 4.951 7.557 1.00 0.00 C ATOM 1517 O ALA A 102 19.506 5.496 7.669 1.00 0.00 O ATOM 1518 CB ALA A 102 16.616 5.272 9.278 1.00 0.00 C ATOM 0 H ALA A 102 15.284 4.984 7.216 1.00 0.00 H new ATOM 0 HA ALA A 102 17.363 6.771 7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.395 5.428 10.024 1.00 0.00 H new ATOM 0 HB2 ALA A 102 15.738 5.861 9.542 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.349 4.216 9.247 1.00 0.00 H new ATOM 1524 N LYS A 103 18.261 3.697 7.128 1.00 0.00 N ATOM 1525 CA LYS A 103 19.404 2.869 6.756 1.00 0.00 C ATOM 1526 C LYS A 103 20.037 3.343 5.447 1.00 0.00 C ATOM 1527 O LYS A 103 21.228 3.129 5.215 1.00 0.00 O ATOM 1528 CB LYS A 103 18.976 1.408 6.616 1.00 0.00 C ATOM 1529 CG LYS A 103 18.844 0.679 7.941 1.00 0.00 C ATOM 1530 CD LYS A 103 19.095 -0.812 7.782 1.00 0.00 C ATOM 1531 CE LYS A 103 17.794 -1.596 7.760 1.00 0.00 C ATOM 1532 NZ LYS A 103 18.029 -3.064 7.829 1.00 0.00 N ATOM 0 H LYS A 103 17.358 3.233 7.030 1.00 0.00 H new ATOM 0 HA LYS A 103 20.147 2.959 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 103 18.021 1.367 6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 103 19.702 0.884 5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 103 19.552 1.094 8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.846 0.840 8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 103 19.646 -0.993 6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 103 19.721 -1.166 8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 103 17.171 -1.288 8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 103 17.243 -1.359 6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 17.117 -3.563 7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 18.602 -3.362 7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 18.532 -3.294 8.709 1.00 0.00 H new ATOM 1546 N GLY A 104 19.232 3.972 4.590 1.00 0.00 N ATOM 1547 CA GLY A 104 19.729 4.450 3.310 1.00 0.00 C ATOM 1548 C GLY A 104 19.517 3.443 2.191 1.00 0.00 C ATOM 1549 O GLY A 104 20.272 3.426 1.217 1.00 0.00 O ATOM 0 H GLY A 104 18.244 4.159 4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 104 19.227 5.383 3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 104 20.792 4.673 3.397 1.00 0.00 H new ATOM 1553 N THR A 105 18.488 2.602 2.332 1.00 0.00 N ATOM 1554 CA THR A 105 18.178 1.582 1.325 1.00 0.00 C ATOM 1555 C THR A 105 16.850 1.871 0.607 1.00 0.00 C ATOM 1556 O THR A 105 16.307 0.998 -0.073 1.00 0.00 O ATOM 1557 CB THR A 105 18.136 0.192 1.972 1.00 0.00 C ATOM 1558 OG1 THR A 105 17.033 0.073 2.858 1.00 0.00 O ATOM 1559 CG2 THR A 105 19.388 -0.143 2.754 1.00 0.00 C ATOM 0 H THR A 105 17.856 2.607 3.133 1.00 0.00 H new ATOM 0 HA THR A 105 18.971 1.608 0.577 1.00 0.00 H new ATOM 0 HB THR A 105 18.046 -0.505 1.139 1.00 0.00 H new ATOM 0 HG1 THR A 105 16.213 -0.073 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 105 19.292 -1.139 3.185 1.00 0.00 H new ATOM 0 HG22 THR A 105 20.251 -0.117 2.088 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.524 0.586 3.553 1.00 0.00 H new ATOM 1567 N LEU A 106 16.338 3.099 0.750 1.00 0.00 N ATOM 1568 CA LEU A 106 15.083 3.493 0.103 1.00 0.00 C ATOM 1569 C LEU A 106 15.235 3.470 -1.419 1.00 0.00 C ATOM 1570 O LEU A 106 14.441 2.843 -2.121 1.00 0.00 O ATOM 1571 CB LEU A 106 14.658 4.894 0.574 1.00 0.00 C ATOM 1572 CG LEU A 106 13.145 5.145 0.655 1.00 0.00 C ATOM 1573 CD1 LEU A 106 12.486 4.949 -0.702 1.00 0.00 C ATOM 1574 CD2 LEU A 106 12.499 4.246 1.700 1.00 0.00 C ATOM 0 H LEU A 106 16.773 3.835 1.307 1.00 0.00 H new ATOM 0 HA LEU A 106 14.309 2.779 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.089 5.071 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.093 5.631 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 106 12.995 6.181 0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.415 5.133 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.918 5.646 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.653 3.927 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.428 4.443 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.667 3.202 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.940 4.448 2.676 1.00 0.00 H new ATOM 1586 N GLU A 107 16.266 4.151 -1.920 1.00 0.00 N ATOM 1587 CA GLU A 107 16.526 4.204 -3.360 1.00 0.00 C ATOM 1588 C GLU A 107 16.990 2.843 -3.886 1.00 0.00 C ATOM 1589 O GLU A 107 16.563 2.408 -4.956 1.00 0.00 O ATOM 1590 CB GLU A 107 17.578 5.273 -3.680 1.00 0.00 C ATOM 1591 CG GLU A 107 17.341 5.983 -5.006 1.00 0.00 C ATOM 1592 CD GLU A 107 16.599 7.296 -4.844 1.00 0.00 C ATOM 1593 OE1 GLU A 107 17.242 8.301 -4.473 1.00 0.00 O ATOM 1594 OE2 GLU A 107 15.373 7.319 -5.087 1.00 0.00 O ATOM 0 H GLU A 107 16.934 4.673 -1.352 1.00 0.00 H new ATOM 0 HA GLU A 107 15.592 4.467 -3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.589 6.012 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.563 4.807 -3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 107 18.300 6.170 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.773 5.329 -5.667 1.00 0.00 H new ATOM 1601 N GLU A 108 17.862 2.177 -3.124 1.00 0.00 N ATOM 1602 CA GLU A 108 18.379 0.863 -3.511 1.00 0.00 C ATOM 1603 C GLU A 108 17.235 -0.126 -3.735 1.00 0.00 C ATOM 1604 O GLU A 108 17.208 -0.838 -4.741 1.00 0.00 O ATOM 1605 CB GLU A 108 19.335 0.329 -2.440 1.00 0.00 C ATOM 1606 CG GLU A 108 20.233 -0.797 -2.931 1.00 0.00 C ATOM 1607 CD GLU A 108 21.467 -0.985 -2.066 1.00 0.00 C ATOM 1608 OE1 GLU A 108 22.270 -0.033 -1.962 1.00 0.00 O ATOM 1609 OE2 GLU A 108 21.631 -2.085 -1.500 1.00 0.00 O ATOM 0 H GLU A 108 18.224 2.526 -2.237 1.00 0.00 H new ATOM 0 HA GLU A 108 18.926 0.975 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 108 19.958 1.148 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 108 18.753 -0.026 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 108 19.664 -1.727 -2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.541 -0.589 -3.956 1.00 0.00 H new ATOM 1616 N GLU A 109 16.290 -0.157 -2.794 1.00 0.00 N ATOM 1617 CA GLU A 109 15.135 -1.046 -2.888 1.00 0.00 C ATOM 1618 C GLU A 109 14.283 -0.707 -4.111 1.00 0.00 C ATOM 1619 O GLU A 109 13.792 -1.602 -4.800 1.00 0.00 O ATOM 1620 CB GLU A 109 14.287 -0.948 -1.617 1.00 0.00 C ATOM 1621 CG GLU A 109 13.113 -1.919 -1.586 1.00 0.00 C ATOM 1622 CD GLU A 109 11.779 -1.234 -1.343 1.00 0.00 C ATOM 1623 OE1 GLU A 109 11.733 -0.287 -0.529 1.00 0.00 O ATOM 1624 OE2 GLU A 109 10.778 -1.648 -1.968 1.00 0.00 O ATOM 0 H GLU A 109 16.304 0.425 -1.957 1.00 0.00 H new ATOM 0 HA GLU A 109 15.501 -2.067 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 109 14.923 -1.134 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.908 0.069 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 109 13.070 -2.459 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.282 -2.659 -0.804 1.00 0.00 H new ATOM 1631 N LEU A 110 14.115 0.592 -4.378 1.00 0.00 N ATOM 1632 CA LEU A 110 13.328 1.055 -5.522 1.00 0.00 C ATOM 1633 C LEU A 110 13.873 0.490 -6.835 1.00 0.00 C ATOM 1634 O LEU A 110 13.110 0.209 -7.763 1.00 0.00 O ATOM 1635 CB LEU A 110 13.309 2.586 -5.577 1.00 0.00 C ATOM 1636 CG LEU A 110 11.943 3.210 -5.881 1.00 0.00 C ATOM 1637 CD1 LEU A 110 11.165 3.453 -4.596 1.00 0.00 C ATOM 1638 CD2 LEU A 110 12.107 4.507 -6.663 1.00 0.00 C ATOM 0 H LEU A 110 14.515 1.342 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 110 12.308 0.692 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 110 13.663 2.973 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 110 14.018 2.915 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 110 11.377 2.510 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.198 3.896 -4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 110 11.012 2.506 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.727 4.131 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.126 4.934 -6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 110 12.695 5.213 -6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.618 4.303 -7.604 1.00 0.00 H new ATOM 1650 N THR A 111 15.194 0.315 -6.906 1.00 0.00 N ATOM 1651 CA THR A 111 15.831 -0.231 -8.102 1.00 0.00 C ATOM 1652 C THR A 111 15.580 -1.737 -8.214 1.00 0.00 C ATOM 1653 O THR A 111 15.437 -2.269 -9.317 1.00 0.00 O ATOM 1654 CB THR A 111 17.339 0.052 -8.088 1.00 0.00 C ATOM 1655 OG1 THR A 111 17.607 1.338 -7.552 1.00 0.00 O ATOM 1656 CG2 THR A 111 17.974 -0.008 -9.462 1.00 0.00 C ATOM 0 H THR A 111 15.840 0.543 -6.151 1.00 0.00 H new ATOM 0 HA THR A 111 15.390 0.259 -8.970 1.00 0.00 H new ATOM 0 HB THR A 111 17.771 -0.734 -7.468 1.00 0.00 H new ATOM 0 HG1 THR A 111 18.574 1.497 -7.551 1.00 0.00 H new ATOM 0 HG21 THR A 111 19.040 0.202 -9.379 1.00 0.00 H new ATOM 0 HG22 THR A 111 17.831 -1.002 -9.886 1.00 0.00 H new ATOM 0 HG23 THR A 111 17.508 0.733 -10.111 1.00 0.00 H new ATOM 1664 N LYS A 112 15.522 -2.421 -7.066 1.00 0.00 N ATOM 1665 CA LYS A 112 15.283 -3.866 -7.040 1.00 0.00 C ATOM 1666 C LYS A 112 13.869 -4.204 -7.515 1.00 0.00 C ATOM 1667 O LYS A 112 13.679 -5.141 -8.293 1.00 0.00 O ATOM 1668 CB LYS A 112 15.507 -4.422 -5.628 1.00 0.00 C ATOM 1669 CG LYS A 112 15.437 -5.941 -5.545 1.00 0.00 C ATOM 1670 CD LYS A 112 16.146 -6.469 -4.307 1.00 0.00 C ATOM 1671 CE LYS A 112 16.730 -7.854 -4.545 1.00 0.00 C ATOM 1672 NZ LYS A 112 18.008 -8.057 -3.807 1.00 0.00 N ATOM 0 H LYS A 112 15.637 -1.997 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 112 15.993 -4.331 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 112 16.482 -4.093 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.760 -3.996 -4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.394 -6.257 -5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.889 -6.376 -6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 112 16.942 -5.782 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.445 -6.507 -3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.008 -8.610 -4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 112 16.901 -7.996 -5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 18.371 -9.013 -3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 18.706 -7.353 -4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 17.841 -7.947 -2.786 1.00 0.00 H new ATOM 1686 N ILE A 113 12.881 -3.441 -7.045 1.00 0.00 N ATOM 1687 CA ILE A 113 11.484 -3.671 -7.428 1.00 0.00 C ATOM 1688 C ILE A 113 11.243 -3.368 -8.908 1.00 0.00 C ATOM 1689 O ILE A 113 10.306 -3.899 -9.507 1.00 0.00 O ATOM 1690 CB ILE A 113 10.502 -2.827 -6.580 1.00 0.00 C ATOM 1691 CG1 ILE A 113 10.893 -1.347 -6.602 1.00 0.00 C ATOM 1692 CG2 ILE A 113 10.446 -3.348 -5.150 1.00 0.00 C ATOM 1693 CD1 ILE A 113 9.835 -0.431 -6.030 1.00 0.00 C ATOM 0 H ILE A 113 13.019 -2.662 -6.402 1.00 0.00 H new ATOM 0 HA ILE A 113 11.295 -4.728 -7.242 1.00 0.00 H new ATOM 0 HB ILE A 113 9.508 -2.919 -7.019 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.817 -1.216 -6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.101 -1.050 -7.630 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.751 -2.742 -4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.109 -4.385 -5.153 1.00 0.00 H new ATOM 0 HG23 ILE A 113 11.438 -3.291 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.182 0.601 -6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.916 -0.532 -6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.643 -0.700 -4.991 1.00 0.00 H new ATOM 1705 N GLY A 114 12.087 -2.514 -9.488 1.00 0.00 N ATOM 1706 CA GLY A 114 11.940 -2.159 -10.888 1.00 0.00 C ATOM 1707 C GLY A 114 11.227 -0.831 -11.087 1.00 0.00 C ATOM 1708 O GLY A 114 10.621 -0.602 -12.136 1.00 0.00 O ATOM 0 H GLY A 114 12.868 -2.063 -9.012 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.925 -2.110 -11.351 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.385 -2.945 -11.401 1.00 0.00 H new ATOM 1712 N LEU A 115 11.302 0.048 -10.086 1.00 0.00 N ATOM 1713 CA LEU A 115 10.660 1.359 -10.167 1.00 0.00 C ATOM 1714 C LEU A 115 11.598 2.384 -10.802 1.00 0.00 C ATOM 1715 O LEU A 115 11.188 3.158 -11.668 1.00 0.00 O ATOM 1716 CB LEU A 115 10.230 1.832 -8.775 1.00 0.00 C ATOM 1717 CG LEU A 115 8.868 2.531 -8.717 1.00 0.00 C ATOM 1718 CD1 LEU A 115 8.121 2.147 -7.448 1.00 0.00 C ATOM 1719 CD2 LEU A 115 9.039 4.042 -8.802 1.00 0.00 C ATOM 0 H LEU A 115 11.800 -0.124 -9.213 1.00 0.00 H new ATOM 0 HA LEU A 115 9.775 1.264 -10.796 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.208 0.971 -8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.988 2.515 -8.390 1.00 0.00 H new ATOM 0 HG LEU A 115 8.278 2.203 -9.573 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.156 2.654 -7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.965 1.068 -7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.706 2.443 -6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.061 4.522 -8.759 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.649 4.387 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.529 4.300 -9.741 1.00 0.00 H new ATOM 1731 N LEU A 116 12.860 2.378 -10.370 1.00 0.00 N ATOM 1732 CA LEU A 116 13.861 3.300 -10.901 1.00 0.00 C ATOM 1733 C LEU A 116 15.122 2.546 -11.343 1.00 0.00 C ATOM 1734 O LEU A 116 16.228 2.837 -10.880 1.00 0.00 O ATOM 1735 CB LEU A 116 14.214 4.355 -9.845 1.00 0.00 C ATOM 1736 CG LEU A 116 14.475 5.764 -10.386 1.00 0.00 C ATOM 1737 CD1 LEU A 116 13.666 6.791 -9.606 1.00 0.00 C ATOM 1738 CD2 LEU A 116 15.961 6.094 -10.325 1.00 0.00 C ATOM 0 H LEU A 116 13.212 1.744 -9.653 1.00 0.00 H new ATOM 0 HA LEU A 116 13.441 3.798 -11.775 1.00 0.00 H new ATOM 0 HB2 LEU A 116 13.400 4.407 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.100 4.022 -9.305 1.00 0.00 H new ATOM 0 HG LEU A 116 14.160 5.797 -11.429 1.00 0.00 H new ATOM 0 HD11 LEU A 116 13.863 7.787 -10.003 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.604 6.566 -9.701 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.951 6.757 -8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 116 16.127 7.099 -10.714 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.303 6.044 -9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 116 16.518 5.376 -10.927 1.00 0.00 H new ATOM 1750 N PRO A 117 14.972 1.559 -12.253 1.00 0.00 N ATOM 1751 CA PRO A 117 16.102 0.763 -12.756 1.00 0.00 C ATOM 1752 C PRO A 117 16.996 1.551 -13.716 1.00 0.00 C ATOM 1753 O PRO A 117 16.524 2.565 -14.274 1.00 0.00 O ATOM 1754 CB PRO A 117 15.419 -0.395 -13.485 1.00 0.00 C ATOM 1755 CG PRO A 117 14.108 0.157 -13.925 1.00 0.00 C ATOM 1756 CD PRO A 117 13.693 1.142 -12.864 1.00 0.00 C ATOM 1757 OXT PRO A 117 18.164 1.147 -13.899 1.00 0.00 O ATOM 0 HA PRO A 117 16.767 0.448 -11.952 1.00 0.00 H new ATOM 0 HB2 PRO A 117 16.012 -0.733 -14.335 1.00 0.00 H new ATOM 0 HB3 PRO A 117 15.286 -1.254 -12.827 1.00 0.00 H new ATOM 0 HG2 PRO A 117 14.196 0.644 -14.896 1.00 0.00 H new ATOM 0 HG3 PRO A 117 13.367 -0.636 -14.032 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.159 1.990 -13.292 1.00 0.00 H new ATOM 0 HD3 PRO A 117 13.029 0.684 -12.130 1.00 0.00 H new