USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00648) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0623 X(o=-0.062,f=-0.062) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -106:sc= -0.176 (180deg=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -6.27! C(o=-6.3!,f=-6.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -173:sc= 0 (180deg=-0.0494) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -1.78! C(o=-3.2!,f=-1.8!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 95:sc= 1.26 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -172:sc= 0 (180deg=-0.0686) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -146:sc= -0.028 (180deg=-0.484) USER MOD Single : A 92 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0537) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.431 -18.112 4.686 1.00 0.00 N ATOM 2 CA MET A 1 -2.821 -18.437 4.958 1.00 0.00 C ATOM 3 C MET A 1 -3.751 -17.332 4.453 1.00 0.00 C ATOM 4 O MET A 1 -3.634 -16.180 4.867 1.00 0.00 O ATOM 5 CB MET A 1 -3.018 -18.621 6.464 1.00 0.00 C ATOM 6 CG MET A 1 -4.322 -19.364 6.760 1.00 0.00 C ATOM 7 SD MET A 1 -5.431 -18.308 7.677 1.00 0.00 S ATOM 8 CE MET A 1 -6.998 -19.026 7.213 1.00 0.00 C ATOM 0 H1 MET A 1 -0.820 -18.877 5.038 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.294 -18.004 3.661 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.182 -17.223 5.164 1.00 0.00 H new ATOM 0 HA MET A 1 -3.067 -19.361 4.435 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.177 -19.176 6.879 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.031 -17.648 6.954 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.792 -19.676 5.827 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.113 -20.269 7.331 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.809 -18.450 7.659 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.097 -19.012 6.128 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.046 -20.055 7.569 1.00 0.00 H new ATOM 18 N SER A 2 -4.654 -17.722 3.565 1.00 0.00 N ATOM 19 CA SER A 2 -5.603 -16.779 2.999 1.00 0.00 C ATOM 20 C SER A 2 -6.923 -17.487 2.689 1.00 0.00 C ATOM 21 O SER A 2 -6.966 -18.392 1.857 1.00 0.00 O ATOM 22 CB SER A 2 -5.042 -16.124 1.735 1.00 0.00 C ATOM 23 OG SER A 2 -3.916 -15.297 2.016 1.00 0.00 O ATOM 0 H SER A 2 -4.748 -18.679 3.224 1.00 0.00 H new ATOM 0 HA SER A 2 -5.783 -15.994 3.733 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.755 -16.898 1.023 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.821 -15.527 1.260 1.00 0.00 H new ATOM 0 HG SER A 2 -3.587 -14.899 1.183 1.00 0.00 H new ATOM 29 N THR A 3 -7.969 -17.049 3.375 1.00 0.00 N ATOM 30 CA THR A 3 -9.287 -17.630 3.183 1.00 0.00 C ATOM 31 C THR A 3 -10.244 -16.595 2.589 1.00 0.00 C ATOM 32 O THR A 3 -11.067 -16.923 1.735 1.00 0.00 O ATOM 33 CB THR A 3 -9.756 -18.191 4.526 1.00 0.00 C ATOM 34 OG1 THR A 3 -11.099 -18.600 4.282 1.00 0.00 O ATOM 35 CG2 THR A 3 -9.885 -17.109 5.600 1.00 0.00 C ATOM 0 H THR A 3 -7.930 -16.298 4.065 1.00 0.00 H new ATOM 0 HA THR A 3 -9.258 -18.449 2.465 1.00 0.00 H new ATOM 0 HB THR A 3 -9.056 -18.956 4.864 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.480 -18.978 5.102 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.221 -17.561 6.533 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.917 -16.633 5.755 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.609 -16.361 5.278 1.00 0.00 H new ATOM 43 N ASP A 4 -10.106 -15.366 3.064 1.00 0.00 N ATOM 44 CA ASP A 4 -10.948 -14.281 2.591 1.00 0.00 C ATOM 45 C ASP A 4 -10.288 -13.619 1.380 1.00 0.00 C ATOM 46 O ASP A 4 -9.348 -12.840 1.530 1.00 0.00 O ATOM 47 CB ASP A 4 -11.131 -13.214 3.672 1.00 0.00 C ATOM 48 CG ASP A 4 -12.017 -13.630 4.848 1.00 0.00 C ATOM 49 OD1 ASP A 4 -11.540 -14.218 5.830 1.00 0.00 O ATOM 50 OD2 ASP A 4 -13.264 -13.322 4.727 1.00 0.00 O ATOM 0 H ASP A 4 -9.423 -15.098 3.772 1.00 0.00 H new ATOM 0 HA ASP A 4 -11.920 -14.699 2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.150 -12.936 4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.558 -12.322 3.213 1.00 0.00 H new ATOM 55 N THR A 5 -10.806 -13.953 0.207 1.00 0.00 N ATOM 56 CA THR A 5 -10.279 -13.401 -1.029 1.00 0.00 C ATOM 57 C THR A 5 -11.148 -13.823 -2.215 1.00 0.00 C ATOM 58 O THR A 5 -11.338 -15.014 -2.457 1.00 0.00 O ATOM 59 CB THR A 5 -8.819 -13.840 -1.158 1.00 0.00 C ATOM 60 OG1 THR A 5 -8.357 -13.170 -2.327 1.00 0.00 O ATOM 61 CG2 THR A 5 -8.682 -15.325 -1.500 1.00 0.00 C ATOM 0 H THR A 5 -11.586 -14.599 0.087 1.00 0.00 H new ATOM 0 HA THR A 5 -10.306 -12.311 -1.019 1.00 0.00 H new ATOM 0 HB THR A 5 -8.294 -13.633 -0.225 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.417 -13.397 -2.484 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.626 -15.584 -1.580 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.144 -15.923 -0.715 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.178 -15.527 -2.449 1.00 0.00 H new ATOM 69 N GLY A 6 -11.651 -12.823 -2.924 1.00 0.00 N ATOM 70 CA GLY A 6 -12.495 -13.076 -4.079 1.00 0.00 C ATOM 71 C GLY A 6 -13.732 -12.175 -4.063 1.00 0.00 C ATOM 72 O GLY A 6 -13.713 -11.079 -4.621 1.00 0.00 O ATOM 0 H GLY A 6 -11.490 -11.836 -2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.927 -12.904 -4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.803 -14.122 -4.087 1.00 0.00 H new ATOM 76 N VAL A 7 -14.777 -12.670 -3.417 1.00 0.00 N ATOM 77 CA VAL A 7 -16.020 -11.924 -3.321 1.00 0.00 C ATOM 78 C VAL A 7 -15.997 -11.065 -2.055 1.00 0.00 C ATOM 79 O VAL A 7 -16.781 -11.291 -1.134 1.00 0.00 O ATOM 80 CB VAL A 7 -17.212 -12.882 -3.372 1.00 0.00 C ATOM 81 CG1 VAL A 7 -18.517 -12.151 -3.050 1.00 0.00 C ATOM 82 CG2 VAL A 7 -17.295 -13.581 -4.731 1.00 0.00 C ATOM 0 H VAL A 7 -14.789 -13.579 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 7 -16.127 -11.249 -4.170 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.061 -13.647 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -19.348 -12.855 -3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -18.456 -11.722 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -18.677 -11.355 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -18.151 -14.256 -4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -17.412 -12.835 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.382 -14.150 -4.904 1.00 0.00 H new ATOM 92 N SER A 8 -15.090 -10.099 -2.049 1.00 0.00 N ATOM 93 CA SER A 8 -14.955 -9.206 -0.911 1.00 0.00 C ATOM 94 C SER A 8 -14.312 -7.890 -1.352 1.00 0.00 C ATOM 95 O SER A 8 -13.090 -7.754 -1.331 1.00 0.00 O ATOM 96 CB SER A 8 -14.129 -9.853 0.202 1.00 0.00 C ATOM 97 OG SER A 8 -14.878 -10.001 1.405 1.00 0.00 O ATOM 0 H SER A 8 -14.441 -9.915 -2.814 1.00 0.00 H new ATOM 0 HA SER A 8 -15.950 -9.003 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.777 -10.830 -0.129 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.245 -9.246 0.397 1.00 0.00 H new ATOM 0 HG SER A 8 -14.316 -10.419 2.091 1.00 0.00 H new ATOM 103 N LEU A 9 -15.165 -6.953 -1.742 1.00 0.00 N ATOM 104 CA LEU A 9 -14.695 -5.652 -2.188 1.00 0.00 C ATOM 105 C LEU A 9 -15.897 -4.766 -2.517 1.00 0.00 C ATOM 106 O LEU A 9 -16.375 -4.758 -3.651 1.00 0.00 O ATOM 107 CB LEU A 9 -13.709 -5.807 -3.348 1.00 0.00 C ATOM 108 CG LEU A 9 -12.536 -4.825 -3.367 1.00 0.00 C ATOM 109 CD1 LEU A 9 -13.032 -3.378 -3.347 1.00 0.00 C ATOM 110 CD2 LEU A 9 -11.562 -5.112 -2.222 1.00 0.00 C ATOM 0 H LEU A 9 -16.178 -7.069 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.140 -5.154 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.308 -6.820 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.259 -5.703 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.988 -4.965 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.178 -2.700 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.655 -3.195 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.617 -3.206 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.738 -4.400 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.082 -5.016 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.171 -6.125 -2.322 1.00 0.00 H new ATOM 122 N PRO A 10 -16.365 -4.022 -1.479 1.00 0.00 N ATOM 123 CA PRO A 10 -17.502 -3.134 -1.647 1.00 0.00 C ATOM 124 C PRO A 10 -17.105 -1.873 -2.417 1.00 0.00 C ATOM 125 O PRO A 10 -16.927 -0.810 -1.825 1.00 0.00 O ATOM 126 CB PRO A 10 -17.984 -2.841 -0.236 1.00 0.00 C ATOM 127 CG PRO A 10 -16.826 -3.195 0.682 1.00 0.00 C ATOM 128 CD PRO A 10 -15.824 -4.006 -0.123 1.00 0.00 C ATOM 0 HA PRO A 10 -18.299 -3.580 -2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -18.262 -1.792 -0.128 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -18.868 -3.431 0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -16.359 -2.291 1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -17.180 -3.768 1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.834 -3.551 -0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.721 -5.016 0.274 1.00 0.00 H new ATOM 136 N SER A 11 -16.977 -2.033 -3.726 1.00 0.00 N ATOM 137 CA SER A 11 -16.604 -0.921 -4.583 1.00 0.00 C ATOM 138 C SER A 11 -16.613 -1.363 -6.048 1.00 0.00 C ATOM 139 O SER A 11 -15.735 -2.107 -6.481 1.00 0.00 O ATOM 140 CB SER A 11 -15.228 -0.370 -4.204 1.00 0.00 C ATOM 141 OG SER A 11 -15.275 1.021 -3.898 1.00 0.00 O ATOM 0 H SER A 11 -17.125 -2.916 -4.214 1.00 0.00 H new ATOM 0 HA SER A 11 -17.335 -0.124 -4.446 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.843 -0.917 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.532 -0.537 -5.026 1.00 0.00 H new ATOM 0 HG SER A 11 -14.377 1.334 -3.659 1.00 0.00 H new ATOM 147 N TYR A 12 -17.617 -0.887 -6.770 1.00 0.00 N ATOM 148 CA TYR A 12 -17.752 -1.224 -8.177 1.00 0.00 C ATOM 149 C TYR A 12 -16.695 -0.504 -9.018 1.00 0.00 C ATOM 150 O TYR A 12 -16.909 0.625 -9.456 1.00 0.00 O ATOM 151 CB TYR A 12 -19.140 -0.735 -8.597 1.00 0.00 C ATOM 152 CG TYR A 12 -19.865 -1.675 -9.562 1.00 0.00 C ATOM 153 CD1 TYR A 12 -19.252 -2.067 -10.734 1.00 0.00 C ATOM 154 CD2 TYR A 12 -21.133 -2.129 -9.260 1.00 0.00 C ATOM 155 CE1 TYR A 12 -19.935 -2.952 -11.642 1.00 0.00 C ATOM 156 CE2 TYR A 12 -21.816 -3.014 -10.168 1.00 0.00 C ATOM 157 CZ TYR A 12 -21.183 -3.381 -11.315 1.00 0.00 C ATOM 158 OH TYR A 12 -21.828 -4.217 -12.173 1.00 0.00 O ATOM 0 H TYR A 12 -18.344 -0.271 -6.407 1.00 0.00 H new ATOM 0 HA TYR A 12 -17.622 -2.296 -8.328 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.753 -0.603 -7.705 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -19.043 0.245 -9.065 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -18.260 -1.710 -10.971 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -21.613 -1.821 -8.343 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -19.466 -3.268 -12.562 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -22.808 -3.378 -9.944 1.00 0.00 H new ATOM 0 HH TYR A 12 -22.710 -4.442 -11.809 1.00 0.00 H new ATOM 168 N GLU A 13 -15.578 -1.187 -9.217 1.00 0.00 N ATOM 169 CA GLU A 13 -14.487 -0.626 -9.997 1.00 0.00 C ATOM 170 C GLU A 13 -13.348 -1.640 -10.121 1.00 0.00 C ATOM 171 O GLU A 13 -12.477 -1.710 -9.255 1.00 0.00 O ATOM 172 CB GLU A 13 -13.990 0.684 -9.382 1.00 0.00 C ATOM 173 CG GLU A 13 -13.116 1.457 -10.372 1.00 0.00 C ATOM 174 CD GLU A 13 -12.965 2.918 -9.945 1.00 0.00 C ATOM 175 OE1 GLU A 13 -12.884 3.207 -8.742 1.00 0.00 O ATOM 176 OE2 GLU A 13 -12.932 3.769 -10.914 1.00 0.00 O ATOM 0 H GLU A 13 -15.404 -2.123 -8.852 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.859 -0.402 -10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.841 1.297 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.421 0.472 -8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.133 0.990 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.558 1.409 -11.367 1.00 0.00 H new ATOM 183 N GLU A 14 -13.391 -2.401 -11.205 1.00 0.00 N ATOM 184 CA GLU A 14 -12.373 -3.408 -11.453 1.00 0.00 C ATOM 185 C GLU A 14 -12.566 -4.026 -12.839 1.00 0.00 C ATOM 186 O GLU A 14 -13.671 -4.436 -13.192 1.00 0.00 O ATOM 187 CB GLU A 14 -12.389 -4.484 -10.366 1.00 0.00 C ATOM 188 CG GLU A 14 -10.979 -5.016 -10.101 1.00 0.00 C ATOM 189 CD GLU A 14 -10.461 -4.543 -8.741 1.00 0.00 C ATOM 190 OE1 GLU A 14 -10.439 -3.333 -8.472 1.00 0.00 O ATOM 191 OE2 GLU A 14 -10.073 -5.484 -7.948 1.00 0.00 O ATOM 0 H GLU A 14 -14.115 -2.340 -11.921 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.397 -2.924 -11.424 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.805 -4.071 -9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.040 -5.304 -10.670 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.986 -6.106 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.305 -4.678 -10.888 1.00 0.00 H new ATOM 198 N ASP A 15 -11.474 -4.075 -13.588 1.00 0.00 N ATOM 199 CA ASP A 15 -11.509 -4.637 -14.927 1.00 0.00 C ATOM 200 C ASP A 15 -10.735 -5.957 -14.942 1.00 0.00 C ATOM 201 O ASP A 15 -9.505 -5.960 -14.962 1.00 0.00 O ATOM 202 CB ASP A 15 -10.853 -3.694 -15.938 1.00 0.00 C ATOM 203 CG ASP A 15 -11.548 -3.620 -17.299 1.00 0.00 C ATOM 204 OD1 ASP A 15 -12.577 -2.844 -17.344 1.00 0.00 O ATOM 205 OD2 ASP A 15 -11.127 -4.271 -18.267 1.00 0.00 O ATOM 0 H ASP A 15 -10.559 -3.734 -13.292 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.553 -4.790 -15.201 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.819 -2.692 -15.509 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.821 -4.010 -16.091 1.00 0.00 H new ATOM 210 N GLN A 16 -11.488 -7.047 -14.933 1.00 0.00 N ATOM 211 CA GLN A 16 -10.889 -8.371 -14.945 1.00 0.00 C ATOM 212 C GLN A 16 -10.002 -8.564 -13.713 1.00 0.00 C ATOM 213 O GLN A 16 -8.780 -8.637 -13.829 1.00 0.00 O ATOM 214 CB GLN A 16 -10.096 -8.602 -16.233 1.00 0.00 C ATOM 215 CG GLN A 16 -10.792 -9.627 -17.129 1.00 0.00 C ATOM 216 CD GLN A 16 -9.776 -10.570 -17.776 1.00 0.00 C ATOM 217 OE1 GLN A 16 -9.113 -10.241 -18.746 1.00 0.00 O ATOM 218 NE2 GLN A 16 -9.690 -11.760 -17.186 1.00 0.00 N ATOM 0 H GLN A 16 -12.508 -7.041 -14.918 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.689 -9.111 -14.912 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.985 -7.660 -16.770 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.092 -8.949 -15.989 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.506 -10.204 -16.541 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.360 -9.112 -17.904 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.274 -11.972 -16.377 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.040 -12.460 -17.543 1.00 0.00 H new ATOM 227 N GLY A 17 -10.653 -8.639 -12.561 1.00 0.00 N ATOM 228 CA GLY A 17 -9.938 -8.822 -11.309 1.00 0.00 C ATOM 229 C GLY A 17 -8.768 -9.792 -11.482 1.00 0.00 C ATOM 230 O GLY A 17 -7.620 -9.439 -11.216 1.00 0.00 O ATOM 0 H GLY A 17 -11.667 -8.576 -12.468 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.568 -7.860 -10.954 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.620 -9.202 -10.549 1.00 0.00 H new ATOM 234 N SER A 18 -9.099 -10.995 -11.927 1.00 0.00 N ATOM 235 CA SER A 18 -8.089 -12.018 -12.138 1.00 0.00 C ATOM 236 C SER A 18 -6.874 -11.417 -12.848 1.00 0.00 C ATOM 237 O SER A 18 -5.739 -11.615 -12.418 1.00 0.00 O ATOM 238 CB SER A 18 -8.652 -13.188 -12.949 1.00 0.00 C ATOM 239 OG SER A 18 -8.570 -14.419 -12.237 1.00 0.00 O ATOM 0 H SER A 18 -10.052 -11.284 -12.147 1.00 0.00 H new ATOM 0 HA SER A 18 -7.781 -12.399 -11.165 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.692 -12.985 -13.204 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.105 -13.275 -13.888 1.00 0.00 H new ATOM 0 HG SER A 18 -8.941 -15.140 -12.787 1.00 0.00 H new ATOM 245 N LYS A 19 -7.155 -10.694 -13.922 1.00 0.00 N ATOM 246 CA LYS A 19 -6.099 -10.062 -14.695 1.00 0.00 C ATOM 247 C LYS A 19 -5.273 -9.157 -13.778 1.00 0.00 C ATOM 248 O LYS A 19 -4.045 -9.161 -13.838 1.00 0.00 O ATOM 249 CB LYS A 19 -6.684 -9.338 -15.909 1.00 0.00 C ATOM 250 CG LYS A 19 -5.586 -8.969 -16.909 1.00 0.00 C ATOM 251 CD LYS A 19 -6.065 -7.881 -17.872 1.00 0.00 C ATOM 252 CE LYS A 19 -5.355 -7.993 -19.223 1.00 0.00 C ATOM 253 NZ LYS A 19 -4.785 -6.686 -19.619 1.00 0.00 N ATOM 0 H LYS A 19 -8.098 -10.532 -14.275 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.420 -10.813 -15.098 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.424 -9.974 -16.394 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.203 -8.436 -15.584 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.703 -8.622 -16.373 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.290 -9.854 -17.472 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.142 -7.966 -18.015 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.877 -6.899 -17.439 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.562 -8.739 -19.163 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.058 -8.335 -19.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.307 -6.780 -20.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.548 -5.983 -19.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.099 -6.375 -18.902 1.00 0.00 H new ATOM 267 N LEU A 20 -5.982 -8.402 -12.951 1.00 0.00 N ATOM 268 CA LEU A 20 -5.330 -7.494 -12.023 1.00 0.00 C ATOM 269 C LEU A 20 -4.454 -8.297 -11.060 1.00 0.00 C ATOM 270 O LEU A 20 -3.463 -7.785 -10.542 1.00 0.00 O ATOM 271 CB LEU A 20 -6.364 -6.610 -11.322 1.00 0.00 C ATOM 272 CG LEU A 20 -6.260 -5.109 -11.596 1.00 0.00 C ATOM 273 CD1 LEU A 20 -4.911 -4.558 -11.126 1.00 0.00 C ATOM 274 CD2 LEU A 20 -6.522 -4.801 -13.071 1.00 0.00 C ATOM 0 H LEU A 20 -7.001 -8.401 -12.905 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.671 -6.811 -12.559 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.358 -6.945 -11.617 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.280 -6.769 -10.247 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.034 -4.602 -11.019 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.863 -3.489 -11.332 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.803 -4.726 -10.054 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.106 -5.067 -11.656 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.442 -3.727 -13.238 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.788 -5.320 -13.687 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.524 -5.136 -13.340 1.00 0.00 H new ATOM 286 N ILE A 21 -4.852 -9.543 -10.848 1.00 0.00 N ATOM 287 CA ILE A 21 -4.115 -10.423 -9.956 1.00 0.00 C ATOM 288 C ILE A 21 -2.984 -11.099 -10.733 1.00 0.00 C ATOM 289 O ILE A 21 -2.023 -11.586 -10.140 1.00 0.00 O ATOM 290 CB ILE A 21 -5.065 -11.408 -9.271 1.00 0.00 C ATOM 291 CG1 ILE A 21 -6.026 -10.678 -8.330 1.00 0.00 C ATOM 292 CG2 ILE A 21 -4.285 -12.510 -8.551 1.00 0.00 C ATOM 293 CD1 ILE A 21 -7.244 -11.547 -8.010 1.00 0.00 C ATOM 0 H ILE A 21 -5.675 -9.964 -11.278 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.652 -9.850 -9.152 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.670 -11.890 -10.039 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.509 -10.416 -7.407 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.351 -9.744 -8.789 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.983 -13.197 -8.072 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.676 -13.055 -9.272 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.639 -12.064 -7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.911 -11.005 -7.340 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.773 -11.787 -8.933 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.917 -12.469 -7.529 1.00 0.00 H new ATOM 305 N ARG A 22 -3.135 -11.106 -12.049 1.00 0.00 N ATOM 306 CA ARG A 22 -2.138 -11.714 -12.914 1.00 0.00 C ATOM 307 C ARG A 22 -0.807 -10.969 -12.795 1.00 0.00 C ATOM 308 O ARG A 22 -0.644 -9.890 -13.363 1.00 0.00 O ATOM 309 CB ARG A 22 -2.594 -11.702 -14.374 1.00 0.00 C ATOM 310 CG ARG A 22 -2.496 -13.098 -14.991 1.00 0.00 C ATOM 311 CD ARG A 22 -3.747 -13.923 -14.681 1.00 0.00 C ATOM 312 NE ARG A 22 -3.581 -15.304 -15.187 1.00 0.00 N ATOM 313 CZ ARG A 22 -4.606 -16.142 -15.449 1.00 0.00 C ATOM 314 NH1 ARG A 22 -5.882 -15.747 -15.254 1.00 0.00 N ATOM 315 NH2 ARG A 22 -4.342 -17.355 -15.899 1.00 0.00 N ATOM 0 H ARG A 22 -3.933 -10.700 -12.538 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.009 -12.748 -12.595 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.622 -11.345 -14.435 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.981 -11.005 -14.944 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.369 -13.014 -16.070 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.614 -13.609 -14.605 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.924 -13.940 -13.606 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.621 -13.461 -15.141 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.633 -15.644 -15.348 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.078 -14.808 -14.906 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.650 -16.387 -15.455 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.375 -17.646 -16.044 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.105 -18.001 -16.102 1.00 0.00 H new ATOM 329 N LYS A 23 0.110 -11.574 -12.055 1.00 0.00 N ATOM 330 CA LYS A 23 1.421 -10.981 -11.854 1.00 0.00 C ATOM 331 C LYS A 23 2.324 -11.983 -11.133 1.00 0.00 C ATOM 332 O LYS A 23 1.939 -13.132 -10.922 1.00 0.00 O ATOM 333 CB LYS A 23 1.297 -9.636 -11.135 1.00 0.00 C ATOM 334 CG LYS A 23 1.749 -8.487 -12.039 1.00 0.00 C ATOM 335 CD LYS A 23 3.179 -8.057 -11.704 1.00 0.00 C ATOM 336 CE LYS A 23 3.235 -6.568 -11.355 1.00 0.00 C ATOM 337 NZ LYS A 23 4.592 -6.194 -10.898 1.00 0.00 N ATOM 0 H LYS A 23 -0.029 -12.470 -11.587 1.00 0.00 H new ATOM 0 HA LYS A 23 1.890 -10.761 -12.813 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.263 -9.477 -10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.900 -9.648 -10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.693 -8.797 -13.083 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.073 -7.640 -11.922 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.553 -8.645 -10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.832 -8.260 -12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.962 -5.973 -12.227 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.507 -6.343 -10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.613 -5.181 -10.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.839 -6.748 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.279 -6.390 -11.654 1.00 0.00 H new ATOM 351 N ALA A 24 3.509 -11.511 -10.774 1.00 0.00 N ATOM 352 CA ALA A 24 4.470 -12.351 -10.080 1.00 0.00 C ATOM 353 C ALA A 24 3.838 -12.887 -8.794 1.00 0.00 C ATOM 354 O ALA A 24 3.295 -12.121 -7.999 1.00 0.00 O ATOM 355 CB ALA A 24 5.748 -11.553 -9.813 1.00 0.00 C ATOM 0 H ALA A 24 3.825 -10.558 -10.951 1.00 0.00 H new ATOM 0 HA ALA A 24 4.744 -13.208 -10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.469 -12.184 -9.292 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.174 -11.221 -10.760 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.513 -10.685 -9.196 1.00 0.00 H new ATOM 361 N LYS A 25 3.930 -14.198 -8.629 1.00 0.00 N ATOM 362 CA LYS A 25 3.374 -14.846 -7.453 1.00 0.00 C ATOM 363 C LYS A 25 3.655 -13.983 -6.221 1.00 0.00 C ATOM 364 O LYS A 25 4.799 -13.870 -5.785 1.00 0.00 O ATOM 365 CB LYS A 25 3.897 -16.278 -7.332 1.00 0.00 C ATOM 366 CG LYS A 25 5.422 -16.297 -7.205 1.00 0.00 C ATOM 367 CD LYS A 25 6.042 -17.294 -8.186 1.00 0.00 C ATOM 368 CE LYS A 25 6.581 -16.580 -9.427 1.00 0.00 C ATOM 369 NZ LYS A 25 5.876 -17.048 -10.641 1.00 0.00 N ATOM 0 H LYS A 25 4.382 -14.830 -9.290 1.00 0.00 H new ATOM 0 HA LYS A 25 2.291 -14.934 -7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.450 -16.760 -6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.594 -16.854 -8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.819 -15.300 -7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.702 -16.562 -6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.849 -17.838 -7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.295 -18.031 -8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.454 -15.503 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.650 -16.767 -9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.254 -16.553 -11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.018 -18.072 -10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.859 -16.848 -10.551 1.00 0.00 H new ATOM 383 N GLU A 26 2.590 -13.395 -5.695 1.00 0.00 N ATOM 384 CA GLU A 26 2.707 -12.546 -4.521 1.00 0.00 C ATOM 385 C GLU A 26 3.475 -13.272 -3.415 1.00 0.00 C ATOM 386 O GLU A 26 3.217 -14.444 -3.142 1.00 0.00 O ATOM 387 CB GLU A 26 1.330 -12.098 -4.030 1.00 0.00 C ATOM 388 CG GLU A 26 1.045 -10.652 -4.441 1.00 0.00 C ATOM 389 CD GLU A 26 0.104 -9.973 -3.443 1.00 0.00 C ATOM 390 OE1 GLU A 26 -1.146 -10.250 -3.596 1.00 0.00 O ATOM 391 OE2 GLU A 26 0.564 -9.220 -2.572 1.00 0.00 O ATOM 0 H GLU A 26 1.642 -13.490 -6.060 1.00 0.00 H new ATOM 0 HA GLU A 26 3.266 -11.652 -4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.562 -12.754 -4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.280 -12.188 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.981 -10.096 -4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.600 -10.634 -5.436 1.00 0.00 H new ATOM 398 N ALA A 27 4.402 -12.547 -2.808 1.00 0.00 N ATOM 399 CA ALA A 27 5.209 -13.107 -1.737 1.00 0.00 C ATOM 400 C ALA A 27 6.364 -12.155 -1.422 1.00 0.00 C ATOM 401 O ALA A 27 6.539 -11.743 -0.276 1.00 0.00 O ATOM 402 CB ALA A 27 5.696 -14.501 -2.141 1.00 0.00 C ATOM 0 H ALA A 27 4.613 -11.576 -3.037 1.00 0.00 H new ATOM 0 HA ALA A 27 4.617 -13.218 -0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.301 -14.922 -1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.838 -15.147 -2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.296 -14.428 -3.048 1.00 0.00 H new ATOM 408 N PRO A 28 7.142 -11.823 -2.487 1.00 0.00 N ATOM 409 CA PRO A 28 8.275 -10.926 -2.335 1.00 0.00 C ATOM 410 C PRO A 28 7.810 -9.477 -2.179 1.00 0.00 C ATOM 411 O PRO A 28 6.862 -9.051 -2.837 1.00 0.00 O ATOM 412 CB PRO A 28 9.122 -11.148 -3.578 1.00 0.00 C ATOM 413 CG PRO A 28 8.205 -11.810 -4.594 1.00 0.00 C ATOM 414 CD PRO A 28 6.964 -12.291 -3.859 1.00 0.00 C ATOM 0 HA PRO A 28 8.854 -11.128 -1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.511 -10.204 -3.960 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.982 -11.781 -3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.934 -11.105 -5.380 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.711 -12.646 -5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.057 -11.881 -4.303 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.876 -13.377 -3.899 1.00 0.00 H new ATOM 422 N PHE A 29 8.500 -8.759 -1.305 1.00 0.00 N ATOM 423 CA PHE A 29 8.169 -7.366 -1.054 1.00 0.00 C ATOM 424 C PHE A 29 8.953 -6.440 -1.987 1.00 0.00 C ATOM 425 O PHE A 29 8.681 -5.242 -2.049 1.00 0.00 O ATOM 426 CB PHE A 29 8.565 -7.066 0.393 1.00 0.00 C ATOM 427 CG PHE A 29 10.076 -7.031 0.631 1.00 0.00 C ATOM 428 CD1 PHE A 29 10.742 -8.174 0.946 1.00 0.00 C ATOM 429 CD2 PHE A 29 10.753 -5.856 0.526 1.00 0.00 C ATOM 430 CE1 PHE A 29 12.144 -8.141 1.166 1.00 0.00 C ATOM 431 CE2 PHE A 29 12.156 -5.823 0.746 1.00 0.00 C ATOM 432 CZ PHE A 29 12.822 -6.966 1.062 1.00 0.00 C ATOM 0 H PHE A 29 9.286 -9.115 -0.762 1.00 0.00 H new ATOM 0 HA PHE A 29 7.106 -7.199 -1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.140 -6.105 0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.123 -7.820 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 29 10.204 -9.107 1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 29 10.224 -4.948 0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 29 12.673 -9.049 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 29 12.694 -4.890 0.662 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.889 -6.941 1.230 1.00 0.00 H new ATOM 442 N VAL A 30 9.909 -7.031 -2.688 1.00 0.00 N ATOM 443 CA VAL A 30 10.733 -6.274 -3.615 1.00 0.00 C ATOM 444 C VAL A 30 9.836 -5.391 -4.485 1.00 0.00 C ATOM 445 O VAL A 30 10.060 -4.187 -4.592 1.00 0.00 O ATOM 446 CB VAL A 30 11.610 -7.225 -4.432 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.622 -6.827 -5.909 1.00 0.00 C ATOM 448 CG2 VAL A 30 13.031 -7.282 -3.868 1.00 0.00 C ATOM 0 H VAL A 30 10.131 -8.025 -2.633 1.00 0.00 H new ATOM 0 HA VAL A 30 11.410 -5.614 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 30 11.180 -8.224 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.253 -7.519 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.607 -6.862 -6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.015 -5.816 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.633 -7.965 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.474 -6.287 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.999 -7.635 -2.837 1.00 0.00 H new ATOM 458 N PRO A 31 8.813 -6.042 -5.101 1.00 0.00 N ATOM 459 CA PRO A 31 7.881 -5.330 -5.959 1.00 0.00 C ATOM 460 C PRO A 31 6.900 -4.499 -5.130 1.00 0.00 C ATOM 461 O PRO A 31 6.291 -3.559 -5.641 1.00 0.00 O ATOM 462 CB PRO A 31 7.198 -6.410 -6.781 1.00 0.00 C ATOM 463 CG PRO A 31 7.432 -7.713 -6.034 1.00 0.00 C ATOM 464 CD PRO A 31 8.518 -7.468 -4.998 1.00 0.00 C ATOM 0 HA PRO A 31 8.375 -4.607 -6.609 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.132 -6.206 -6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.614 -6.457 -7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.513 -8.047 -5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.734 -8.500 -6.725 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.177 -7.730 -3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.403 -8.071 -5.201 1.00 0.00 H new ATOM 472 N VAL A 32 6.776 -4.874 -3.866 1.00 0.00 N ATOM 473 CA VAL A 32 5.878 -4.175 -2.962 1.00 0.00 C ATOM 474 C VAL A 32 6.434 -2.778 -2.678 1.00 0.00 C ATOM 475 O VAL A 32 5.713 -1.787 -2.780 1.00 0.00 O ATOM 476 CB VAL A 32 5.664 -5.003 -1.693 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.831 -4.231 -0.669 1.00 0.00 C ATOM 478 CG2 VAL A 32 5.020 -6.352 -2.020 1.00 0.00 C ATOM 0 H VAL A 32 7.283 -5.653 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 32 4.897 -4.048 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 32 6.641 -5.197 -1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.694 -4.842 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.347 -3.309 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.858 -3.991 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.879 -6.920 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.054 -6.188 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.668 -6.910 -2.696 1.00 0.00 H new ATOM 488 N GLY A 33 7.711 -2.744 -2.327 1.00 0.00 N ATOM 489 CA GLY A 33 8.371 -1.485 -2.027 1.00 0.00 C ATOM 490 C GLY A 33 8.596 -0.667 -3.301 1.00 0.00 C ATOM 491 O GLY A 33 8.348 0.538 -3.320 1.00 0.00 O ATOM 0 H GLY A 33 8.306 -3.568 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.766 -0.912 -1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.327 -1.678 -1.541 1.00 0.00 H new ATOM 495 N ILE A 34 9.062 -1.355 -4.333 1.00 0.00 N ATOM 496 CA ILE A 34 9.322 -0.707 -5.607 1.00 0.00 C ATOM 497 C ILE A 34 8.025 -0.093 -6.137 1.00 0.00 C ATOM 498 O ILE A 34 7.896 1.128 -6.209 1.00 0.00 O ATOM 499 CB ILE A 34 9.982 -1.686 -6.581 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.398 -2.044 -6.124 1.00 0.00 C ATOM 501 CG2 ILE A 34 9.962 -1.136 -8.008 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.364 -0.884 -6.374 1.00 0.00 C ATOM 0 H ILE A 34 9.266 -2.354 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 34 10.033 0.110 -5.481 1.00 0.00 H new ATOM 0 HB ILE A 34 9.402 -2.609 -6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.390 -2.293 -5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.743 -2.930 -6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.437 -1.851 -8.680 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.931 -0.974 -8.321 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.504 -0.191 -8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.363 -1.164 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.388 -0.654 -7.439 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.030 -0.006 -5.821 1.00 0.00 H new ATOM 514 N ALA A 35 7.096 -0.968 -6.494 1.00 0.00 N ATOM 515 CA ALA A 35 5.814 -0.527 -7.015 1.00 0.00 C ATOM 516 C ALA A 35 5.123 0.358 -5.976 1.00 0.00 C ATOM 517 O ALA A 35 4.828 1.522 -6.243 1.00 0.00 O ATOM 518 CB ALA A 35 4.971 -1.746 -7.396 1.00 0.00 C ATOM 0 H ALA A 35 7.206 -1.980 -6.433 1.00 0.00 H new ATOM 0 HA ALA A 35 5.951 0.069 -7.917 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.009 -1.415 -7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.493 -2.325 -8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.810 -2.367 -6.515 1.00 0.00 H new ATOM 524 N GLY A 36 4.884 -0.228 -4.811 1.00 0.00 N ATOM 525 CA GLY A 36 4.234 0.493 -3.730 1.00 0.00 C ATOM 526 C GLY A 36 4.745 1.932 -3.645 1.00 0.00 C ATOM 527 O GLY A 36 3.970 2.879 -3.776 1.00 0.00 O ATOM 0 H GLY A 36 5.129 -1.194 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.155 0.495 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.418 -0.018 -2.785 1.00 0.00 H new ATOM 531 N PHE A 37 6.046 2.052 -3.426 1.00 0.00 N ATOM 532 CA PHE A 37 6.670 3.360 -3.322 1.00 0.00 C ATOM 533 C PHE A 37 6.268 4.255 -4.496 1.00 0.00 C ATOM 534 O PHE A 37 5.793 5.372 -4.296 1.00 0.00 O ATOM 535 CB PHE A 37 8.183 3.138 -3.360 1.00 0.00 C ATOM 536 CG PHE A 37 9.001 4.431 -3.405 1.00 0.00 C ATOM 537 CD1 PHE A 37 8.956 5.301 -2.361 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.773 4.710 -4.490 1.00 0.00 C ATOM 539 CE1 PHE A 37 9.714 6.501 -2.403 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.531 5.909 -4.532 1.00 0.00 C ATOM 541 CZ PHE A 37 10.486 6.779 -3.488 1.00 0.00 C ATOM 0 H PHE A 37 6.685 1.265 -3.318 1.00 0.00 H new ATOM 0 HA PHE A 37 6.354 3.851 -2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.478 2.564 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.429 2.534 -4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.344 5.079 -1.500 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.809 4.019 -5.319 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.678 7.192 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.144 6.130 -5.393 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.063 7.691 -3.520 1.00 0.00 H new ATOM 551 N ALA A 38 6.473 3.730 -5.695 1.00 0.00 N ATOM 552 CA ALA A 38 6.137 4.467 -6.901 1.00 0.00 C ATOM 553 C ALA A 38 4.700 4.981 -6.797 1.00 0.00 C ATOM 554 O ALA A 38 4.461 6.186 -6.869 1.00 0.00 O ATOM 555 CB ALA A 38 6.348 3.571 -8.123 1.00 0.00 C ATOM 0 H ALA A 38 6.867 2.803 -5.857 1.00 0.00 H new ATOM 0 HA ALA A 38 6.789 5.333 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.096 4.124 -9.028 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.391 3.257 -8.168 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.708 2.692 -8.045 1.00 0.00 H new ATOM 561 N ALA A 39 3.780 4.043 -6.629 1.00 0.00 N ATOM 562 CA ALA A 39 2.373 4.386 -6.514 1.00 0.00 C ATOM 563 C ALA A 39 2.211 5.524 -5.504 1.00 0.00 C ATOM 564 O ALA A 39 1.717 6.597 -5.847 1.00 0.00 O ATOM 565 CB ALA A 39 1.575 3.141 -6.122 1.00 0.00 C ATOM 0 H ALA A 39 3.982 3.045 -6.570 1.00 0.00 H new ATOM 0 HA ALA A 39 1.984 4.736 -7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.519 3.398 -6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.700 2.373 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.936 2.764 -5.165 1.00 0.00 H new ATOM 571 N ILE A 40 2.637 5.251 -4.280 1.00 0.00 N ATOM 572 CA ILE A 40 2.545 6.239 -3.218 1.00 0.00 C ATOM 573 C ILE A 40 2.934 7.612 -3.770 1.00 0.00 C ATOM 574 O ILE A 40 2.138 8.549 -3.730 1.00 0.00 O ATOM 575 CB ILE A 40 3.376 5.805 -2.009 1.00 0.00 C ATOM 576 CG1 ILE A 40 2.763 4.576 -1.335 1.00 0.00 C ATOM 577 CG2 ILE A 40 3.564 6.964 -1.028 1.00 0.00 C ATOM 578 CD1 ILE A 40 1.338 4.866 -0.858 1.00 0.00 C ATOM 0 H ILE A 40 3.047 4.360 -4.000 1.00 0.00 H new ATOM 0 HA ILE A 40 1.519 6.318 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 40 4.367 5.518 -2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.753 3.740 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.380 4.276 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.158 6.628 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.078 7.785 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.590 7.306 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.925 3.976 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.354 5.686 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.718 5.142 -1.711 1.00 0.00 H new ATOM 590 N VAL A 41 4.157 7.688 -4.273 1.00 0.00 N ATOM 591 CA VAL A 41 4.660 8.931 -4.833 1.00 0.00 C ATOM 592 C VAL A 41 3.576 9.570 -5.703 1.00 0.00 C ATOM 593 O VAL A 41 3.274 10.753 -5.556 1.00 0.00 O ATOM 594 CB VAL A 41 5.962 8.673 -5.594 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.333 9.872 -6.469 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.100 8.323 -4.632 1.00 0.00 C ATOM 0 H VAL A 41 4.815 6.909 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 41 4.898 9.639 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 41 5.802 7.817 -6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.262 9.662 -6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.537 10.056 -7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.464 10.754 -5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.014 8.144 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.258 9.150 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.839 7.425 -4.072 1.00 0.00 H new ATOM 606 N ALA A 42 3.020 8.758 -6.590 1.00 0.00 N ATOM 607 CA ALA A 42 1.975 9.229 -7.484 1.00 0.00 C ATOM 608 C ALA A 42 0.808 9.771 -6.656 1.00 0.00 C ATOM 609 O ALA A 42 0.453 10.943 -6.770 1.00 0.00 O ATOM 610 CB ALA A 42 1.551 8.093 -8.417 1.00 0.00 C ATOM 0 H ALA A 42 3.273 7.777 -6.709 1.00 0.00 H new ATOM 0 HA ALA A 42 2.342 10.043 -8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.767 8.446 -9.087 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.409 7.764 -9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.174 7.258 -7.826 1.00 0.00 H new ATOM 616 N TYR A 43 0.243 8.891 -5.842 1.00 0.00 N ATOM 617 CA TYR A 43 -0.877 9.267 -4.996 1.00 0.00 C ATOM 618 C TYR A 43 -0.642 10.633 -4.350 1.00 0.00 C ATOM 619 O TYR A 43 -1.420 11.564 -4.557 1.00 0.00 O ATOM 620 CB TYR A 43 -0.951 8.203 -3.899 1.00 0.00 C ATOM 621 CG TYR A 43 -2.365 7.951 -3.371 1.00 0.00 C ATOM 622 CD1 TYR A 43 -3.207 7.084 -4.038 1.00 0.00 C ATOM 623 CD2 TYR A 43 -2.799 8.591 -2.228 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.537 6.847 -3.541 1.00 0.00 C ATOM 625 CE2 TYR A 43 -4.130 8.354 -1.731 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.933 7.494 -2.412 1.00 0.00 C ATOM 627 OH TYR A 43 -6.190 7.270 -1.943 1.00 0.00 O ATOM 0 H TYR A 43 0.540 7.919 -5.750 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.795 9.331 -5.580 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.547 7.268 -4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.313 8.507 -3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.868 6.583 -4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.141 9.270 -1.706 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.205 6.171 -4.053 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.482 8.848 -0.838 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.335 7.798 -1.130 1.00 0.00 H new ATOM 637 N GLY A 44 0.434 10.712 -3.580 1.00 0.00 N ATOM 638 CA GLY A 44 0.781 11.949 -2.902 1.00 0.00 C ATOM 639 C GLY A 44 0.861 13.113 -3.893 1.00 0.00 C ATOM 640 O GLY A 44 0.276 14.170 -3.663 1.00 0.00 O ATOM 0 H GLY A 44 1.077 9.939 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.037 12.169 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.738 11.833 -2.393 1.00 0.00 H new ATOM 644 N LEU A 45 1.591 12.879 -4.974 1.00 0.00 N ATOM 645 CA LEU A 45 1.755 13.894 -6.000 1.00 0.00 C ATOM 646 C LEU A 45 0.383 14.455 -6.380 1.00 0.00 C ATOM 647 O LEU A 45 0.193 15.670 -6.411 1.00 0.00 O ATOM 648 CB LEU A 45 2.541 13.334 -7.187 1.00 0.00 C ATOM 649 CG LEU A 45 2.898 14.335 -8.287 1.00 0.00 C ATOM 650 CD1 LEU A 45 4.045 15.247 -7.848 1.00 0.00 C ATOM 651 CD2 LEU A 45 3.209 13.617 -9.602 1.00 0.00 C ATOM 0 H LEU A 45 2.075 12.001 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 45 2.347 14.727 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.464 12.893 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.961 12.526 -7.633 1.00 0.00 H new ATOM 0 HG LEU A 45 2.031 14.971 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.279 15.949 -8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.750 15.799 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.925 14.644 -7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.460 14.352 -10.367 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.052 12.942 -9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.337 13.045 -9.920 1.00 0.00 H new ATOM 663 N TYR A 46 -0.536 13.544 -6.660 1.00 0.00 N ATOM 664 CA TYR A 46 -1.885 13.932 -7.038 1.00 0.00 C ATOM 665 C TYR A 46 -2.639 14.524 -5.845 1.00 0.00 C ATOM 666 O TYR A 46 -3.375 15.498 -5.993 1.00 0.00 O ATOM 667 CB TYR A 46 -2.585 12.647 -7.482 1.00 0.00 C ATOM 668 CG TYR A 46 -2.496 12.377 -8.985 1.00 0.00 C ATOM 669 CD1 TYR A 46 -3.227 13.146 -9.869 1.00 0.00 C ATOM 670 CD2 TYR A 46 -1.686 11.366 -9.458 1.00 0.00 C ATOM 671 CE1 TYR A 46 -3.143 12.893 -11.284 1.00 0.00 C ATOM 672 CE2 TYR A 46 -1.602 11.112 -10.873 1.00 0.00 C ATOM 673 CZ TYR A 46 -2.335 11.888 -11.716 1.00 0.00 C ATOM 674 OH TYR A 46 -2.256 11.649 -13.053 1.00 0.00 O ATOM 0 H TYR A 46 -0.374 12.537 -6.633 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.861 14.687 -7.824 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.149 11.804 -6.946 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.635 12.699 -7.194 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.862 13.937 -9.499 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.114 10.764 -8.767 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.709 13.488 -11.986 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.971 10.323 -11.256 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.641 10.904 -13.216 1.00 0.00 H new ATOM 684 N LYS A 47 -2.429 13.910 -4.690 1.00 0.00 N ATOM 685 CA LYS A 47 -3.080 14.364 -3.472 1.00 0.00 C ATOM 686 C LYS A 47 -2.876 15.873 -3.322 1.00 0.00 C ATOM 687 O LYS A 47 -3.801 16.594 -2.953 1.00 0.00 O ATOM 688 CB LYS A 47 -2.590 13.555 -2.269 1.00 0.00 C ATOM 689 CG LYS A 47 -3.239 14.050 -0.975 1.00 0.00 C ATOM 690 CD LYS A 47 -2.197 14.668 -0.041 1.00 0.00 C ATOM 691 CE LYS A 47 -2.669 16.024 0.486 1.00 0.00 C ATOM 692 NZ LYS A 47 -1.793 17.108 -0.013 1.00 0.00 N ATOM 0 H LYS A 47 -1.818 13.102 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.155 14.191 -3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.822 12.500 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.506 13.634 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.007 14.788 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.736 13.220 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.008 13.995 0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.253 14.789 -0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.697 16.205 0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.666 16.018 1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.182 17.443 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.203 16.748 -0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.378 17.896 -0.359 1.00 0.00 H new ATOM 706 N LEU A 48 -1.659 16.306 -3.617 1.00 0.00 N ATOM 707 CA LEU A 48 -1.322 17.716 -3.520 1.00 0.00 C ATOM 708 C LEU A 48 -2.471 18.551 -4.089 1.00 0.00 C ATOM 709 O LEU A 48 -3.089 19.335 -3.371 1.00 0.00 O ATOM 710 CB LEU A 48 0.027 17.992 -4.185 1.00 0.00 C ATOM 711 CG LEU A 48 0.353 19.462 -4.457 1.00 0.00 C ATOM 712 CD1 LEU A 48 0.778 20.176 -3.173 1.00 0.00 C ATOM 713 CD2 LEU A 48 1.404 19.595 -5.562 1.00 0.00 C ATOM 0 H LEU A 48 -0.894 15.705 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.202 18.008 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.813 17.577 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.060 17.452 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.553 19.953 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.004 21.219 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.031 20.127 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.665 19.692 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.618 20.650 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.318 19.085 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.026 19.145 -6.480 1.00 0.00 H new ATOM 725 N LYS A 49 -2.722 18.354 -5.375 1.00 0.00 N ATOM 726 CA LYS A 49 -3.785 19.078 -6.050 1.00 0.00 C ATOM 727 C LYS A 49 -5.099 18.866 -5.296 1.00 0.00 C ATOM 728 O LYS A 49 -5.468 17.733 -4.990 1.00 0.00 O ATOM 729 CB LYS A 49 -3.852 18.681 -7.526 1.00 0.00 C ATOM 730 CG LYS A 49 -3.563 19.880 -8.431 1.00 0.00 C ATOM 731 CD LYS A 49 -4.237 19.714 -9.794 1.00 0.00 C ATOM 732 CE LYS A 49 -3.507 20.523 -10.869 1.00 0.00 C ATOM 733 NZ LYS A 49 -4.458 20.985 -11.904 1.00 0.00 N ATOM 0 H LYS A 49 -2.207 17.703 -5.967 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.581 20.149 -6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.131 17.888 -7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.839 18.279 -7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.919 20.794 -7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.487 19.988 -8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.249 18.660 -10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.276 20.039 -9.732 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.011 21.380 -10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.730 19.912 -11.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.947 21.532 -12.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.912 20.163 -12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.185 21.585 -11.465 1.00 0.00 H new ATOM 747 N SER A 50 -5.771 19.974 -5.018 1.00 0.00 N ATOM 748 CA SER A 50 -7.036 19.923 -4.305 1.00 0.00 C ATOM 749 C SER A 50 -8.124 19.342 -5.210 1.00 0.00 C ATOM 750 O SER A 50 -8.773 18.360 -4.854 1.00 0.00 O ATOM 751 CB SER A 50 -7.445 21.312 -3.809 1.00 0.00 C ATOM 752 OG SER A 50 -7.984 21.271 -2.491 1.00 0.00 O ATOM 0 H SER A 50 -5.463 20.912 -5.274 1.00 0.00 H new ATOM 0 HA SER A 50 -6.912 19.278 -3.435 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.578 21.973 -3.826 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.183 21.737 -4.489 1.00 0.00 H new ATOM 0 HG SER A 50 -8.231 22.177 -2.210 1.00 0.00 H new ATOM 758 N ARG A 51 -8.289 19.972 -6.364 1.00 0.00 N ATOM 759 CA ARG A 51 -9.286 19.530 -7.323 1.00 0.00 C ATOM 760 C ARG A 51 -8.776 18.312 -8.095 1.00 0.00 C ATOM 761 O ARG A 51 -7.935 18.443 -8.983 1.00 0.00 O ATOM 762 CB ARG A 51 -9.633 20.644 -8.312 1.00 0.00 C ATOM 763 CG ARG A 51 -11.064 20.493 -8.829 1.00 0.00 C ATOM 764 CD ARG A 51 -12.044 21.300 -7.975 1.00 0.00 C ATOM 765 NE ARG A 51 -13.098 21.887 -8.832 1.00 0.00 N ATOM 766 CZ ARG A 51 -14.026 21.163 -9.494 1.00 0.00 C ATOM 767 NH1 ARG A 51 -14.038 19.816 -9.402 1.00 0.00 N ATOM 768 NH2 ARG A 51 -14.922 21.792 -10.232 1.00 0.00 N ATOM 0 H ARG A 51 -7.748 20.786 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.184 19.262 -6.767 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.518 21.614 -7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.936 20.622 -9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.117 20.828 -9.865 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.349 19.441 -8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.495 20.657 -7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.512 22.091 -7.446 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.125 22.902 -8.929 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.343 19.338 -8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.742 19.277 -9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.906 22.810 -10.296 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.630 21.260 -10.738 1.00 0.00 H new ATOM 782 N GLY A 52 -9.306 17.154 -7.729 1.00 0.00 N ATOM 783 CA GLY A 52 -8.915 15.913 -8.377 1.00 0.00 C ATOM 784 C GLY A 52 -9.290 14.704 -7.518 1.00 0.00 C ATOM 785 O GLY A 52 -8.435 13.887 -7.183 1.00 0.00 O ATOM 0 H GLY A 52 -10.003 17.049 -6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.401 15.837 -9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.840 15.916 -8.558 1.00 0.00 H new ATOM 789 N ASN A 53 -10.571 14.628 -7.188 1.00 0.00 N ATOM 790 CA ASN A 53 -11.070 13.533 -6.374 1.00 0.00 C ATOM 791 C ASN A 53 -10.070 13.237 -5.255 1.00 0.00 C ATOM 792 O ASN A 53 -9.174 12.410 -5.420 1.00 0.00 O ATOM 793 CB ASN A 53 -11.237 12.260 -7.207 1.00 0.00 C ATOM 794 CG ASN A 53 -9.995 11.997 -8.061 1.00 0.00 C ATOM 795 OD1 ASN A 53 -9.766 12.627 -9.080 1.00 0.00 O ATOM 796 ND2 ASN A 53 -9.210 11.032 -7.589 1.00 0.00 N ATOM 0 H ASN A 53 -11.278 15.307 -7.470 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.037 13.829 -5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.416 11.411 -6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.112 12.354 -7.850 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.356 10.780 -8.087 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.462 10.545 -6.729 1.00 0.00 H new ATOM 803 N THR A 54 -10.256 13.929 -4.140 1.00 0.00 N ATOM 804 CA THR A 54 -9.381 13.751 -2.994 1.00 0.00 C ATOM 805 C THR A 54 -9.999 14.389 -1.748 1.00 0.00 C ATOM 806 O THR A 54 -10.655 15.425 -1.837 1.00 0.00 O ATOM 807 CB THR A 54 -8.009 14.325 -3.353 1.00 0.00 C ATOM 808 OG1 THR A 54 -7.214 14.074 -2.197 1.00 0.00 O ATOM 809 CG2 THR A 54 -8.025 15.850 -3.471 1.00 0.00 C ATOM 0 H THR A 54 -11.000 14.614 -4.006 1.00 0.00 H new ATOM 0 HA THR A 54 -9.255 12.696 -2.753 1.00 0.00 H new ATOM 0 HB THR A 54 -7.670 13.892 -4.294 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.306 14.413 -2.344 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.027 16.206 -3.727 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.727 16.147 -4.250 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.332 16.285 -2.520 1.00 0.00 H new ATOM 817 N LYS A 55 -9.767 13.742 -0.615 1.00 0.00 N ATOM 818 CA LYS A 55 -10.293 14.232 0.648 1.00 0.00 C ATOM 819 C LYS A 55 -9.395 13.752 1.790 1.00 0.00 C ATOM 820 O LYS A 55 -9.840 13.008 2.663 1.00 0.00 O ATOM 821 CB LYS A 55 -11.760 13.832 0.809 1.00 0.00 C ATOM 822 CG LYS A 55 -12.659 15.067 0.898 1.00 0.00 C ATOM 823 CD LYS A 55 -14.112 14.713 0.572 1.00 0.00 C ATOM 824 CE LYS A 55 -14.466 15.116 -0.860 1.00 0.00 C ATOM 825 NZ LYS A 55 -15.794 14.580 -1.236 1.00 0.00 N ATOM 0 H LYS A 55 -9.222 12.883 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.280 15.322 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.067 13.215 -0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.879 13.226 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.601 15.492 1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.303 15.831 0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.267 13.642 0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.779 15.218 1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.467 16.202 -0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.708 14.741 -1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.019 14.863 -2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.781 13.542 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.516 14.958 -0.590 1.00 0.00 H new ATOM 839 N MET A 56 -8.148 14.197 1.747 1.00 0.00 N ATOM 840 CA MET A 56 -7.184 13.822 2.767 1.00 0.00 C ATOM 841 C MET A 56 -6.727 15.044 3.566 1.00 0.00 C ATOM 842 O MET A 56 -5.951 15.859 3.070 1.00 0.00 O ATOM 843 CB MET A 56 -5.972 13.161 2.107 1.00 0.00 C ATOM 844 CG MET A 56 -5.474 11.976 2.937 1.00 0.00 C ATOM 845 SD MET A 56 -6.081 10.447 2.244 1.00 0.00 S ATOM 846 CE MET A 56 -7.409 10.096 3.384 1.00 0.00 C ATOM 0 H MET A 56 -7.783 14.814 1.021 1.00 0.00 H new ATOM 0 HA MET A 56 -7.663 13.122 3.452 1.00 0.00 H new ATOM 0 HB2 MET A 56 -6.238 12.822 1.106 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.172 13.892 1.993 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.384 11.968 2.957 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.811 12.077 3.969 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.819 9.108 3.172 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.028 10.119 4.405 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.192 10.846 3.272 1.00 0.00 H new ATOM 856 N SER A 57 -7.228 15.132 4.790 1.00 0.00 N ATOM 857 CA SER A 57 -6.880 16.242 5.662 1.00 0.00 C ATOM 858 C SER A 57 -7.375 15.964 7.083 1.00 0.00 C ATOM 859 O SER A 57 -8.515 16.281 7.420 1.00 0.00 O ATOM 860 CB SER A 57 -7.467 17.555 5.142 1.00 0.00 C ATOM 861 OG SER A 57 -7.033 18.675 5.910 1.00 0.00 O ATOM 0 H SER A 57 -7.871 14.454 5.198 1.00 0.00 H new ATOM 0 HA SER A 57 -5.795 16.341 5.675 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.176 17.695 4.101 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.555 17.500 5.165 1.00 0.00 H new ATOM 0 HG SER A 57 -7.428 19.494 5.546 1.00 0.00 H new ATOM 867 N ILE A 58 -6.494 15.376 7.878 1.00 0.00 N ATOM 868 CA ILE A 58 -6.827 15.053 9.255 1.00 0.00 C ATOM 869 C ILE A 58 -5.538 14.913 10.068 1.00 0.00 C ATOM 870 O ILE A 58 -4.532 14.419 9.562 1.00 0.00 O ATOM 871 CB ILE A 58 -7.728 13.818 9.313 1.00 0.00 C ATOM 872 CG1 ILE A 58 -8.431 13.714 10.668 1.00 0.00 C ATOM 873 CG2 ILE A 58 -6.940 12.549 8.977 1.00 0.00 C ATOM 874 CD1 ILE A 58 -9.924 14.018 10.535 1.00 0.00 C ATOM 0 H ILE A 58 -5.550 15.115 7.595 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.403 15.861 9.707 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.505 13.926 8.556 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.295 12.713 11.076 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.976 14.410 11.372 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.603 11.685 9.025 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.526 12.633 7.972 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.129 12.424 9.694 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.400 13.937 11.512 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.057 15.029 10.149 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.381 13.305 9.849 1.00 0.00 H new ATOM 886 N HIS A 59 -5.611 15.357 11.314 1.00 0.00 N ATOM 887 CA HIS A 59 -4.463 15.287 12.201 1.00 0.00 C ATOM 888 C HIS A 59 -3.495 16.428 11.880 1.00 0.00 C ATOM 889 O HIS A 59 -3.784 17.271 11.032 1.00 0.00 O ATOM 890 CB HIS A 59 -3.801 13.910 12.126 1.00 0.00 C ATOM 891 CG HIS A 59 -3.632 13.236 13.467 1.00 0.00 C ATOM 892 ND1 HIS A 59 -3.915 11.897 13.674 1.00 0.00 N ATOM 893 CD2 HIS A 59 -3.205 13.729 14.665 1.00 0.00 C ATOM 894 CE1 HIS A 59 -3.668 11.609 14.943 1.00 0.00 C ATOM 895 NE2 HIS A 59 -3.228 12.745 15.556 1.00 0.00 N ATOM 0 H HIS A 59 -6.447 15.767 11.730 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.789 15.413 13.233 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -4.398 13.266 11.480 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.823 14.014 11.657 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.900 14.747 14.856 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.793 10.643 15.410 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.961 12.825 16.537 1.00 0.00 H new ATOM 903 N LEU A 60 -2.366 16.417 12.573 1.00 0.00 N ATOM 904 CA LEU A 60 -1.355 17.441 12.372 1.00 0.00 C ATOM 905 C LEU A 60 -0.300 16.923 11.392 1.00 0.00 C ATOM 906 O LEU A 60 0.870 16.790 11.747 1.00 0.00 O ATOM 907 CB LEU A 60 -0.777 17.895 13.714 1.00 0.00 C ATOM 908 CG LEU A 60 -0.926 19.382 14.040 1.00 0.00 C ATOM 909 CD1 LEU A 60 -1.943 19.598 15.163 1.00 0.00 C ATOM 910 CD2 LEU A 60 0.430 20.011 14.365 1.00 0.00 C ATOM 0 H LEU A 60 -2.129 15.715 13.274 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.798 18.331 11.925 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.256 17.320 14.506 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.283 17.644 13.734 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.311 19.889 13.155 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.030 20.664 15.375 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.913 19.209 14.855 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.611 19.075 16.060 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.295 21.068 14.593 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.868 19.507 15.227 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.094 19.907 13.507 1.00 0.00 H new ATOM 922 N ILE A 61 -0.752 16.645 10.178 1.00 0.00 N ATOM 923 CA ILE A 61 0.139 16.145 9.144 1.00 0.00 C ATOM 924 C ILE A 61 -0.037 16.983 7.876 1.00 0.00 C ATOM 925 O ILE A 61 -0.355 16.450 6.814 1.00 0.00 O ATOM 926 CB ILE A 61 -0.082 14.647 8.926 1.00 0.00 C ATOM 927 CG1 ILE A 61 -1.521 14.362 8.492 1.00 0.00 C ATOM 928 CG2 ILE A 61 0.311 13.848 10.170 1.00 0.00 C ATOM 929 CD1 ILE A 61 -1.554 13.427 7.282 1.00 0.00 C ATOM 0 H ILE A 61 -1.723 16.756 9.887 1.00 0.00 H new ATOM 0 HA ILE A 61 1.179 16.249 9.454 1.00 0.00 H new ATOM 0 HB ILE A 61 0.569 14.320 8.115 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.072 13.913 9.318 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.023 15.298 8.246 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.144 12.786 9.988 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.365 14.017 10.393 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.295 14.171 11.016 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.589 13.241 6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.024 13.890 6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.073 12.483 7.538 1.00 0.00 H new ATOM 941 N HIS A 62 0.177 18.282 8.030 1.00 0.00 N ATOM 942 CA HIS A 62 0.047 19.199 6.911 1.00 0.00 C ATOM 943 C HIS A 62 1.297 19.117 6.032 1.00 0.00 C ATOM 944 O HIS A 62 1.972 20.122 5.811 1.00 0.00 O ATOM 945 CB HIS A 62 -0.240 20.619 7.402 1.00 0.00 C ATOM 946 CG HIS A 62 -0.953 21.486 6.393 1.00 0.00 C ATOM 947 ND1 HIS A 62 -2.106 22.191 6.691 1.00 0.00 N ATOM 948 CD2 HIS A 62 -0.663 21.756 5.087 1.00 0.00 C ATOM 949 CE1 HIS A 62 -2.485 22.851 5.606 1.00 0.00 C ATOM 950 NE2 HIS A 62 -1.590 22.579 4.613 1.00 0.00 N ATOM 0 H HIS A 62 0.439 18.721 8.913 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.806 18.910 6.297 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.843 20.564 8.309 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.702 21.096 7.674 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.178 21.366 4.533 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.350 23.492 5.523 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.627 22.948 3.663 1.00 0.00 H new ATOM 958 N MET A 63 1.567 17.912 5.553 1.00 0.00 N ATOM 959 CA MET A 63 2.723 17.686 4.703 1.00 0.00 C ATOM 960 C MET A 63 2.517 16.459 3.812 1.00 0.00 C ATOM 961 O MET A 63 1.520 15.751 3.945 1.00 0.00 O ATOM 962 CB MET A 63 3.965 17.481 5.574 1.00 0.00 C ATOM 963 CG MET A 63 4.921 18.670 5.453 1.00 0.00 C ATOM 964 SD MET A 63 6.338 18.215 4.468 1.00 0.00 S ATOM 965 CE MET A 63 6.155 19.361 3.112 1.00 0.00 C ATOM 0 H MET A 63 1.005 17.081 5.738 1.00 0.00 H new ATOM 0 HA MET A 63 2.856 18.558 4.063 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.667 17.354 6.615 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.477 16.566 5.275 1.00 0.00 H new ATOM 0 HG2 MET A 63 4.407 19.516 4.997 1.00 0.00 H new ATOM 0 HG3 MET A 63 5.244 18.990 6.444 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.965 19.212 2.398 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.199 19.190 2.617 1.00 0.00 H new ATOM 0 HE3 MET A 63 6.189 20.382 3.492 1.00 0.00 H new ATOM 975 N ARG A 64 3.477 16.246 2.923 1.00 0.00 N ATOM 976 CA ARG A 64 3.413 15.117 2.010 1.00 0.00 C ATOM 977 C ARG A 64 4.523 14.113 2.329 1.00 0.00 C ATOM 978 O ARG A 64 4.248 13.000 2.773 1.00 0.00 O ATOM 979 CB ARG A 64 3.552 15.576 0.557 1.00 0.00 C ATOM 980 CG ARG A 64 2.251 15.350 -0.216 1.00 0.00 C ATOM 981 CD ARG A 64 1.953 16.530 -1.144 1.00 0.00 C ATOM 982 NE ARG A 64 2.339 16.192 -2.532 1.00 0.00 N ATOM 983 CZ ARG A 64 3.583 16.348 -3.031 1.00 0.00 C ATOM 984 NH1 ARG A 64 4.575 16.839 -2.258 1.00 0.00 N ATOM 985 NH2 ARG A 64 3.816 16.013 -4.286 1.00 0.00 N ATOM 0 H ARG A 64 4.302 16.836 2.816 1.00 0.00 H new ATOM 0 HA ARG A 64 2.441 14.641 2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.817 16.633 0.529 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.364 15.031 0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.326 14.433 -0.800 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.426 15.216 0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.892 16.777 -1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.499 17.413 -0.811 1.00 0.00 H new ATOM 0 HE ARG A 64 1.619 15.818 -3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.387 17.095 -1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.512 16.954 -2.643 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.061 15.642 -4.863 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.751 16.125 -4.679 1.00 0.00 H new ATOM 999 N VAL A 65 5.753 14.543 2.089 1.00 0.00 N ATOM 1000 CA VAL A 65 6.905 13.696 2.345 1.00 0.00 C ATOM 1001 C VAL A 65 6.826 13.154 3.774 1.00 0.00 C ATOM 1002 O VAL A 65 6.804 11.942 3.981 1.00 0.00 O ATOM 1003 CB VAL A 65 8.196 14.470 2.070 1.00 0.00 C ATOM 1004 CG1 VAL A 65 9.419 13.681 2.541 1.00 0.00 C ATOM 1005 CG2 VAL A 65 8.313 14.831 0.588 1.00 0.00 C ATOM 0 H VAL A 65 5.977 15.467 1.720 1.00 0.00 H new ATOM 0 HA VAL A 65 6.906 12.839 1.671 1.00 0.00 H new ATOM 0 HB VAL A 65 8.158 15.399 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.323 14.253 2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.343 13.498 3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.463 12.729 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.239 15.381 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.318 13.919 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.465 15.451 0.296 1.00 0.00 H new ATOM 1015 N ALA A 66 6.787 14.078 4.722 1.00 0.00 N ATOM 1016 CA ALA A 66 6.711 13.708 6.125 1.00 0.00 C ATOM 1017 C ALA A 66 5.589 12.686 6.319 1.00 0.00 C ATOM 1018 O ALA A 66 5.835 11.568 6.769 1.00 0.00 O ATOM 1019 CB ALA A 66 6.509 14.964 6.975 1.00 0.00 C ATOM 0 H ALA A 66 6.807 15.083 4.546 1.00 0.00 H new ATOM 0 HA ALA A 66 7.641 13.242 6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.452 14.686 8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.347 15.644 6.824 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.583 15.458 6.680 1.00 0.00 H new ATOM 1025 N ALA A 67 4.382 13.106 5.970 1.00 0.00 N ATOM 1026 CA ALA A 67 3.222 12.242 6.100 1.00 0.00 C ATOM 1027 C ALA A 67 3.513 10.900 5.424 1.00 0.00 C ATOM 1028 O ALA A 67 2.981 9.868 5.830 1.00 0.00 O ATOM 1029 CB ALA A 67 1.996 12.940 5.507 1.00 0.00 C ATOM 0 H ALA A 67 4.183 14.034 5.597 1.00 0.00 H new ATOM 0 HA ALA A 67 3.007 12.043 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.125 12.291 5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.815 13.873 6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.173 13.153 4.453 1.00 0.00 H new ATOM 1035 N GLN A 68 4.356 10.959 4.403 1.00 0.00 N ATOM 1036 CA GLN A 68 4.724 9.761 3.667 1.00 0.00 C ATOM 1037 C GLN A 68 5.580 8.843 4.541 1.00 0.00 C ATOM 1038 O GLN A 68 5.399 7.626 4.533 1.00 0.00 O ATOM 1039 CB GLN A 68 5.452 10.118 2.369 1.00 0.00 C ATOM 1040 CG GLN A 68 5.027 9.189 1.230 1.00 0.00 C ATOM 1041 CD GLN A 68 5.892 9.414 -0.012 1.00 0.00 C ATOM 1042 OE1 GLN A 68 5.197 9.557 -1.137 1.00 0.00 O flip ATOM 1043 NE2 GLN A 68 7.110 9.455 0.047 1.00 0.00 N flip ATOM 0 H GLN A 68 4.794 11.817 4.068 1.00 0.00 H new ATOM 0 HA GLN A 68 3.812 9.228 3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.237 11.152 2.099 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.529 10.045 2.520 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.110 8.151 1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.979 9.364 0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.581 9.338 0.944 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.657 9.607 -0.801 1.00 0.00 H new ATOM 1052 N GLY A 69 6.495 9.460 5.274 1.00 0.00 N ATOM 1053 CA GLY A 69 7.379 8.713 6.152 1.00 0.00 C ATOM 1054 C GLY A 69 6.592 8.035 7.276 1.00 0.00 C ATOM 1055 O GLY A 69 6.787 6.851 7.547 1.00 0.00 O ATOM 0 H GLY A 69 6.643 10.469 5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.919 7.961 5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.125 9.383 6.579 1.00 0.00 H new ATOM 1059 N PHE A 70 5.720 8.815 7.898 1.00 0.00 N ATOM 1060 CA PHE A 70 4.903 8.304 8.986 1.00 0.00 C ATOM 1061 C PHE A 70 3.965 7.200 8.495 1.00 0.00 C ATOM 1062 O PHE A 70 3.729 6.221 9.201 1.00 0.00 O ATOM 1063 CB PHE A 70 4.067 9.475 9.505 1.00 0.00 C ATOM 1064 CG PHE A 70 3.471 9.247 10.895 1.00 0.00 C ATOM 1065 CD1 PHE A 70 4.252 9.385 12.000 1.00 0.00 C ATOM 1066 CD2 PHE A 70 2.162 8.906 11.027 1.00 0.00 C ATOM 1067 CE1 PHE A 70 3.699 9.173 13.291 1.00 0.00 C ATOM 1068 CE2 PHE A 70 1.609 8.694 12.317 1.00 0.00 C ATOM 1069 CZ PHE A 70 2.389 8.832 13.422 1.00 0.00 C ATOM 0 H PHE A 70 5.561 9.796 7.670 1.00 0.00 H new ATOM 0 HA PHE A 70 5.540 7.883 9.764 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.690 10.369 9.530 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.258 9.670 8.802 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.292 9.656 11.896 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.542 8.796 10.150 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.319 9.283 14.169 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.569 8.423 12.421 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.968 8.671 14.404 1.00 0.00 H new ATOM 1079 N VAL A 71 3.454 7.395 7.288 1.00 0.00 N ATOM 1080 CA VAL A 71 2.546 6.428 6.695 1.00 0.00 C ATOM 1081 C VAL A 71 3.298 5.121 6.435 1.00 0.00 C ATOM 1082 O VAL A 71 2.942 4.078 6.981 1.00 0.00 O ATOM 1083 CB VAL A 71 1.911 7.014 5.431 1.00 0.00 C ATOM 1084 CG1 VAL A 71 1.229 5.922 4.605 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.928 8.133 5.780 1.00 0.00 C ATOM 0 H VAL A 71 3.652 8.208 6.705 1.00 0.00 H new ATOM 0 HA VAL A 71 1.728 6.202 7.379 1.00 0.00 H new ATOM 0 HB VAL A 71 2.707 7.445 4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.786 6.364 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.966 5.174 4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.449 5.449 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.491 8.532 4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.137 7.737 6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.455 8.928 6.307 1.00 0.00 H new ATOM 1095 N VAL A 72 4.324 5.221 5.603 1.00 0.00 N ATOM 1096 CA VAL A 72 5.129 4.060 5.264 1.00 0.00 C ATOM 1097 C VAL A 72 5.568 3.358 6.551 1.00 0.00 C ATOM 1098 O VAL A 72 5.689 2.134 6.584 1.00 0.00 O ATOM 1099 CB VAL A 72 6.305 4.478 4.380 1.00 0.00 C ATOM 1100 CG1 VAL A 72 5.818 5.236 3.143 1.00 0.00 C ATOM 1101 CG2 VAL A 72 7.317 5.310 5.170 1.00 0.00 C ATOM 0 H VAL A 72 4.616 6.089 5.153 1.00 0.00 H new ATOM 0 HA VAL A 72 4.544 3.345 4.686 1.00 0.00 H new ATOM 0 HB VAL A 72 6.808 3.572 4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.674 5.522 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.154 4.596 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.279 6.131 3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.143 5.594 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.831 6.208 5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.699 4.722 6.004 1.00 0.00 H new ATOM 1111 N GLY A 73 5.797 4.162 7.578 1.00 0.00 N ATOM 1112 CA GLY A 73 6.220 3.633 8.863 1.00 0.00 C ATOM 1113 C GLY A 73 5.155 2.707 9.453 1.00 0.00 C ATOM 1114 O GLY A 73 5.414 1.527 9.687 1.00 0.00 O ATOM 0 H GLY A 73 5.698 5.177 7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.156 3.087 8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.415 4.455 9.552 1.00 0.00 H new ATOM 1118 N ALA A 74 3.980 3.276 9.677 1.00 0.00 N ATOM 1119 CA ALA A 74 2.874 2.516 10.235 1.00 0.00 C ATOM 1120 C ALA A 74 2.594 1.304 9.344 1.00 0.00 C ATOM 1121 O ALA A 74 2.305 0.217 9.842 1.00 0.00 O ATOM 1122 CB ALA A 74 1.653 3.425 10.384 1.00 0.00 C ATOM 0 H ALA A 74 3.769 4.255 9.482 1.00 0.00 H new ATOM 0 HA ALA A 74 3.126 2.144 11.228 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.824 2.855 10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.895 4.254 11.049 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.368 3.815 9.407 1.00 0.00 H new ATOM 1128 N MET A 75 2.688 1.531 8.043 1.00 0.00 N ATOM 1129 CA MET A 75 2.447 0.472 7.078 1.00 0.00 C ATOM 1130 C MET A 75 3.520 -0.615 7.179 1.00 0.00 C ATOM 1131 O MET A 75 3.239 -1.792 6.959 1.00 0.00 O ATOM 1132 CB MET A 75 2.446 1.058 5.665 1.00 0.00 C ATOM 1133 CG MET A 75 1.538 0.248 4.737 1.00 0.00 C ATOM 1134 SD MET A 75 2.396 -0.125 3.217 1.00 0.00 S ATOM 1135 CE MET A 75 1.124 0.289 2.034 1.00 0.00 C ATOM 0 H MET A 75 2.928 2.434 7.634 1.00 0.00 H new ATOM 0 HA MET A 75 1.478 0.022 7.295 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.108 2.094 5.697 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.462 1.066 5.270 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.233 -0.676 5.228 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.629 0.810 4.523 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.495 0.113 1.024 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.246 -0.332 2.211 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.853 1.339 2.143 1.00 0.00 H new ATOM 1145 N THR A 76 4.727 -0.181 7.512 1.00 0.00 N ATOM 1146 CA THR A 76 5.843 -1.102 7.645 1.00 0.00 C ATOM 1147 C THR A 76 5.619 -2.044 8.829 1.00 0.00 C ATOM 1148 O THR A 76 5.692 -3.263 8.680 1.00 0.00 O ATOM 1149 CB THR A 76 7.126 -0.277 7.759 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.338 0.219 6.440 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.357 -1.143 8.034 1.00 0.00 C ATOM 0 H THR A 76 4.956 0.796 7.694 1.00 0.00 H new ATOM 0 HA THR A 76 5.930 -1.746 6.770 1.00 0.00 H new ATOM 0 HB THR A 76 7.015 0.458 8.556 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.958 1.119 6.364 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.240 -0.508 8.106 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.221 -1.682 8.972 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.489 -1.857 7.221 1.00 0.00 H new ATOM 1159 N VAL A 77 5.350 -1.443 9.979 1.00 0.00 N ATOM 1160 CA VAL A 77 5.115 -2.213 11.189 1.00 0.00 C ATOM 1161 C VAL A 77 3.882 -3.098 10.993 1.00 0.00 C ATOM 1162 O VAL A 77 3.919 -4.293 11.283 1.00 0.00 O ATOM 1163 CB VAL A 77 4.993 -1.275 12.391 1.00 0.00 C ATOM 1164 CG1 VAL A 77 6.296 -0.507 12.622 1.00 0.00 C ATOM 1165 CG2 VAL A 77 3.814 -0.315 12.220 1.00 0.00 C ATOM 0 H VAL A 77 5.290 -0.432 10.098 1.00 0.00 H new ATOM 0 HA VAL A 77 5.959 -2.872 11.393 1.00 0.00 H new ATOM 0 HB VAL A 77 4.803 -1.885 13.274 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.182 0.153 13.482 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.106 -1.212 12.810 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.530 0.087 11.738 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.750 0.341 13.088 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.961 0.285 11.322 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.890 -0.886 12.128 1.00 0.00 H new ATOM 1175 N GLY A 78 2.819 -2.477 10.503 1.00 0.00 N ATOM 1176 CA GLY A 78 1.578 -3.193 10.266 1.00 0.00 C ATOM 1177 C GLY A 78 1.803 -4.388 9.337 1.00 0.00 C ATOM 1178 O GLY A 78 1.382 -5.504 9.641 1.00 0.00 O ATOM 0 H GLY A 78 2.792 -1.486 10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.166 -3.538 11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.843 -2.519 9.826 1.00 0.00 H new ATOM 1182 N MET A 79 2.465 -4.114 8.223 1.00 0.00 N ATOM 1183 CA MET A 79 2.751 -5.153 7.248 1.00 0.00 C ATOM 1184 C MET A 79 3.598 -6.267 7.866 1.00 0.00 C ATOM 1185 O MET A 79 3.265 -7.445 7.744 1.00 0.00 O ATOM 1186 CB MET A 79 3.498 -4.545 6.058 1.00 0.00 C ATOM 1187 CG MET A 79 2.518 -4.039 4.997 1.00 0.00 C ATOM 1188 SD MET A 79 2.182 -5.330 3.811 1.00 0.00 S ATOM 1189 CE MET A 79 0.397 -5.329 3.849 1.00 0.00 C ATOM 0 H MET A 79 2.812 -3.188 7.974 1.00 0.00 H new ATOM 0 HA MET A 79 1.806 -5.582 6.915 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.126 -3.722 6.400 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.161 -5.291 5.620 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.590 -3.718 5.471 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.935 -3.168 4.491 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.018 -6.083 3.160 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.054 -5.555 4.859 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.027 -4.348 3.552 1.00 0.00 H new ATOM 1199 N GLY A 80 4.677 -5.856 8.516 1.00 0.00 N ATOM 1200 CA GLY A 80 5.573 -6.805 9.153 1.00 0.00 C ATOM 1201 C GLY A 80 4.797 -7.788 10.033 1.00 0.00 C ATOM 1202 O GLY A 80 5.038 -8.993 9.985 1.00 0.00 O ATOM 0 H GLY A 80 4.951 -4.878 8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.128 -7.353 8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.305 -6.270 9.758 1.00 0.00 H new ATOM 1206 N TYR A 81 3.881 -7.236 10.814 1.00 0.00 N ATOM 1207 CA TYR A 81 3.068 -8.049 11.703 1.00 0.00 C ATOM 1208 C TYR A 81 1.928 -8.725 10.938 1.00 0.00 C ATOM 1209 O TYR A 81 1.357 -9.708 11.409 1.00 0.00 O ATOM 1210 CB TYR A 81 2.473 -7.084 12.731 1.00 0.00 C ATOM 1211 CG TYR A 81 3.506 -6.472 13.680 1.00 0.00 C ATOM 1212 CD1 TYR A 81 4.379 -7.288 14.369 1.00 0.00 C ATOM 1213 CD2 TYR A 81 3.564 -5.103 13.846 1.00 0.00 C ATOM 1214 CE1 TYR A 81 5.351 -6.712 15.262 1.00 0.00 C ATOM 1215 CE2 TYR A 81 4.535 -4.527 14.739 1.00 0.00 C ATOM 1216 CZ TYR A 81 5.381 -5.360 15.403 1.00 0.00 C ATOM 1217 OH TYR A 81 6.299 -4.816 16.246 1.00 0.00 O ATOM 0 H TYR A 81 3.683 -6.236 10.850 1.00 0.00 H new ATOM 0 HA TYR A 81 3.670 -8.833 12.164 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.958 -6.281 12.204 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.723 -7.613 13.319 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.334 -8.359 14.239 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.881 -4.464 13.306 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.040 -7.340 15.807 1.00 0.00 H new ATOM 0 HE2 TYR A 81 4.591 -3.458 14.879 1.00 0.00 H new ATOM 0 HH TYR A 81 6.205 -3.840 16.246 1.00 0.00 H new ATOM 1227 N SER A 82 1.632 -8.173 9.771 1.00 0.00 N ATOM 1228 CA SER A 82 0.571 -8.711 8.936 1.00 0.00 C ATOM 1229 C SER A 82 -0.605 -9.156 9.807 1.00 0.00 C ATOM 1230 O SER A 82 -1.126 -10.257 9.637 1.00 0.00 O ATOM 1231 CB SER A 82 1.077 -9.880 8.089 1.00 0.00 C ATOM 1232 OG SER A 82 0.721 -9.738 6.716 1.00 0.00 O ATOM 0 H SER A 82 2.108 -7.358 9.383 1.00 0.00 H new ATOM 0 HA SER A 82 0.236 -7.925 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.161 -9.949 8.177 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.666 -10.813 8.476 1.00 0.00 H new ATOM 0 HG SER A 82 1.064 -10.503 6.208 1.00 0.00 H new ATOM 1238 N MET A 83 -0.990 -8.277 10.720 1.00 0.00 N ATOM 1239 CA MET A 83 -2.095 -8.565 11.618 1.00 0.00 C ATOM 1240 C MET A 83 -1.680 -9.570 12.694 1.00 0.00 C ATOM 1241 O MET A 83 -1.760 -9.277 13.886 1.00 0.00 O ATOM 1242 CB MET A 83 -3.269 -9.131 10.817 1.00 0.00 C ATOM 1243 CG MET A 83 -4.539 -8.310 11.051 1.00 0.00 C ATOM 1244 SD MET A 83 -5.917 -9.397 11.380 1.00 0.00 S ATOM 1245 CE MET A 83 -5.743 -9.591 13.146 1.00 0.00 C ATOM 0 H MET A 83 -0.556 -7.364 10.857 1.00 0.00 H new ATOM 0 HA MET A 83 -2.391 -7.638 12.109 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.023 -9.132 9.755 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.444 -10.168 11.104 1.00 0.00 H new ATOM 0 HG2 MET A 83 -4.393 -7.630 11.890 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.751 -7.695 10.176 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.438 -10.353 13.498 1.00 0.00 H new ATOM 0 HE2 MET A 83 -4.722 -9.894 13.380 1.00 0.00 H new ATOM 0 HE3 MET A 83 -5.963 -8.644 13.639 1.00 0.00 H new ATOM 1255 N TYR A 84 -1.244 -10.734 12.235 1.00 0.00 N ATOM 1256 CA TYR A 84 -0.816 -11.784 13.144 1.00 0.00 C ATOM 1257 C TYR A 84 0.708 -11.923 13.142 1.00 0.00 C ATOM 1258 O TYR A 84 1.316 -12.117 12.090 1.00 0.00 O ATOM 1259 CB TYR A 84 -1.434 -13.079 12.613 1.00 0.00 C ATOM 1260 CG TYR A 84 -2.579 -13.619 13.473 1.00 0.00 C ATOM 1261 CD1 TYR A 84 -3.673 -12.823 13.745 1.00 0.00 C ATOM 1262 CD2 TYR A 84 -2.518 -14.903 13.976 1.00 0.00 C ATOM 1263 CE1 TYR A 84 -4.750 -13.332 14.554 1.00 0.00 C ATOM 1264 CE2 TYR A 84 -3.595 -15.412 14.784 1.00 0.00 C ATOM 1265 CZ TYR A 84 -4.658 -14.601 15.033 1.00 0.00 C ATOM 1266 OH TYR A 84 -5.676 -15.081 15.797 1.00 0.00 O ATOM 0 H TYR A 84 -1.178 -10.973 11.246 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.128 -11.559 14.164 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.803 -12.906 11.602 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.656 -13.839 12.543 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.721 -11.819 13.351 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.662 -15.526 13.763 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.612 -12.719 14.775 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.560 -16.415 15.183 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.475 -16.001 16.069 1.00 0.00 H new ATOM 1276 N ARG A 85 1.281 -11.818 14.332 1.00 0.00 N ATOM 1277 CA ARG A 85 2.722 -11.929 14.481 1.00 0.00 C ATOM 1278 C ARG A 85 3.268 -13.023 13.561 1.00 0.00 C ATOM 1279 O ARG A 85 2.683 -14.100 13.457 1.00 0.00 O ATOM 1280 CB ARG A 85 3.103 -12.251 15.927 1.00 0.00 C ATOM 1281 CG ARG A 85 3.874 -11.092 16.562 1.00 0.00 C ATOM 1282 CD ARG A 85 5.143 -11.592 17.255 1.00 0.00 C ATOM 1283 NE ARG A 85 4.789 -12.346 18.478 1.00 0.00 N ATOM 1284 CZ ARG A 85 5.650 -13.131 19.159 1.00 0.00 C ATOM 1285 NH1 ARG A 85 6.926 -13.273 18.741 1.00 0.00 N ATOM 1286 NH2 ARG A 85 5.226 -13.759 20.240 1.00 0.00 N ATOM 0 H ARG A 85 0.773 -11.657 15.202 1.00 0.00 H new ATOM 0 HA ARG A 85 3.159 -10.968 14.208 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.203 -12.455 16.507 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.711 -13.155 15.954 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.137 -10.363 15.796 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.238 -10.580 17.285 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.711 -12.229 16.577 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.784 -10.748 17.511 1.00 0.00 H new ATOM 0 HE ARG A 85 3.834 -12.268 18.828 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.246 -12.785 17.904 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.570 -13.868 19.262 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.260 -13.647 20.549 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.864 -14.356 20.766 1.00 0.00 H new ATOM 1300 N GLU A 86 4.383 -12.709 12.917 1.00 0.00 N ATOM 1301 CA GLU A 86 5.014 -13.652 12.010 1.00 0.00 C ATOM 1302 C GLU A 86 6.535 -13.493 12.052 1.00 0.00 C ATOM 1303 O GLU A 86 7.091 -12.623 11.384 1.00 0.00 O ATOM 1304 CB GLU A 86 4.484 -13.480 10.585 1.00 0.00 C ATOM 1305 CG GLU A 86 3.938 -14.801 10.040 1.00 0.00 C ATOM 1306 CD GLU A 86 3.236 -14.591 8.696 1.00 0.00 C ATOM 1307 OE1 GLU A 86 3.511 -13.602 8.001 1.00 0.00 O ATOM 1308 OE2 GLU A 86 2.377 -15.501 8.382 1.00 0.00 O ATOM 0 H GLU A 86 4.865 -11.815 13.006 1.00 0.00 H new ATOM 0 HA GLU A 86 4.765 -14.662 12.336 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.698 -12.725 10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.282 -13.118 9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.754 -15.514 9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.239 -15.233 10.756 1.00 0.00 H new ATOM 1315 N PHE A 87 7.165 -14.347 12.846 1.00 0.00 N ATOM 1316 CA PHE A 87 8.611 -14.312 12.984 1.00 0.00 C ATOM 1317 C PHE A 87 9.296 -14.813 11.711 1.00 0.00 C ATOM 1318 O PHE A 87 9.505 -16.014 11.546 1.00 0.00 O ATOM 1319 CB PHE A 87 8.972 -15.242 14.144 1.00 0.00 C ATOM 1320 CG PHE A 87 10.039 -14.680 15.085 1.00 0.00 C ATOM 1321 CD1 PHE A 87 9.750 -13.618 15.884 1.00 0.00 C ATOM 1322 CD2 PHE A 87 11.277 -15.241 15.122 1.00 0.00 C ATOM 1323 CE1 PHE A 87 10.740 -13.095 16.757 1.00 0.00 C ATOM 1324 CE2 PHE A 87 12.268 -14.719 15.995 1.00 0.00 C ATOM 1325 CZ PHE A 87 11.978 -13.657 16.794 1.00 0.00 C ATOM 0 H PHE A 87 6.701 -15.067 13.400 1.00 0.00 H new ATOM 0 HA PHE A 87 8.943 -13.290 13.164 1.00 0.00 H new ATOM 0 HB2 PHE A 87 8.071 -15.455 14.719 1.00 0.00 H new ATOM 0 HB3 PHE A 87 9.323 -16.191 13.739 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.767 -13.172 15.854 1.00 0.00 H new ATOM 0 HD2 PHE A 87 11.507 -16.084 14.487 1.00 0.00 H new ATOM 0 HE1 PHE A 87 10.510 -12.252 17.391 1.00 0.00 H new ATOM 0 HE2 PHE A 87 13.251 -15.165 16.025 1.00 0.00 H new ATOM 0 HZ PHE A 87 12.731 -13.260 17.458 1.00 0.00 H new ATOM 1335 N TRP A 88 9.627 -13.867 10.844 1.00 0.00 N ATOM 1336 CA TRP A 88 10.285 -14.198 9.591 1.00 0.00 C ATOM 1337 C TRP A 88 10.542 -12.893 8.834 1.00 0.00 C ATOM 1338 O TRP A 88 9.616 -12.296 8.288 1.00 0.00 O ATOM 1339 CB TRP A 88 9.458 -15.203 8.787 1.00 0.00 C ATOM 1340 CG TRP A 88 9.978 -15.443 7.368 1.00 0.00 C ATOM 1341 CD1 TRP A 88 9.453 -15.013 6.213 1.00 0.00 C ATOM 1342 CD2 TRP A 88 11.156 -16.191 6.999 1.00 0.00 C ATOM 1343 NE1 TRP A 88 10.202 -15.428 5.131 1.00 0.00 N ATOM 1344 CE2 TRP A 88 11.270 -16.167 5.624 1.00 0.00 C ATOM 1345 CE3 TRP A 88 12.093 -16.867 7.801 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 12.308 -16.801 4.930 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 13.124 -17.495 7.092 1.00 0.00 C ATOM 1348 CH2 TRP A 88 13.253 -17.480 5.708 1.00 0.00 C ATOM 0 H TRP A 88 9.452 -12.872 10.984 1.00 0.00 H new ATOM 0 HA TRP A 88 11.241 -14.689 9.774 1.00 0.00 H new ATOM 0 HB2 TRP A 88 9.439 -16.153 9.322 1.00 0.00 H new ATOM 0 HB3 TRP A 88 8.429 -14.849 8.731 1.00 0.00 H new ATOM 0 HD1 TRP A 88 8.556 -14.416 6.138 1.00 0.00 H new ATOM 0 HE1 TRP A 88 10.007 -15.229 4.150 1.00 0.00 H new ATOM 0 HE3 TRP A 88 12.023 -16.899 8.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 12.376 -16.768 3.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 13.872 -18.029 7.660 1.00 0.00 H new ATOM 0 HH2 TRP A 88 14.079 -17.990 5.235 1.00 0.00 H new ATOM 1359 N ALA A 89 11.804 -12.490 8.825 1.00 0.00 N ATOM 1360 CA ALA A 89 12.195 -11.268 8.144 1.00 0.00 C ATOM 1361 C ALA A 89 13.398 -11.553 7.243 1.00 0.00 C ATOM 1362 O ALA A 89 13.313 -11.409 6.024 1.00 0.00 O ATOM 1363 CB ALA A 89 12.486 -10.178 9.177 1.00 0.00 C ATOM 0 H ALA A 89 12.569 -12.989 9.279 1.00 0.00 H new ATOM 0 HA ALA A 89 11.386 -10.908 7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.779 -9.261 8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.591 -9.992 9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.295 -10.503 9.831 1.00 0.00 H new ATOM 1369 N LYS A 90 14.490 -11.954 7.877 1.00 0.00 N ATOM 1370 CA LYS A 90 15.708 -12.261 7.148 1.00 0.00 C ATOM 1371 C LYS A 90 16.766 -12.777 8.126 1.00 0.00 C ATOM 1372 O LYS A 90 17.525 -11.994 8.695 1.00 0.00 O ATOM 1373 CB LYS A 90 16.164 -11.050 6.332 1.00 0.00 C ATOM 1374 CG LYS A 90 15.943 -11.282 4.836 1.00 0.00 C ATOM 1375 CD LYS A 90 17.042 -10.612 4.009 1.00 0.00 C ATOM 1376 CE LYS A 90 17.419 -11.471 2.800 1.00 0.00 C ATOM 1377 NZ LYS A 90 18.753 -11.086 2.287 1.00 0.00 N ATOM 0 H LYS A 90 14.556 -12.073 8.888 1.00 0.00 H new ATOM 0 HA LYS A 90 15.528 -13.055 6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.615 -10.164 6.651 1.00 0.00 H new ATOM 0 HB3 LYS A 90 17.220 -10.856 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 90 15.928 -12.352 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 90 14.970 -10.887 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.703 -9.633 3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.922 -10.448 4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.421 -12.524 3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.672 -11.352 2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 18.772 -11.195 1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 18.947 -10.095 2.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.478 -11.698 2.713 1.00 0.00 H new ATOM 1391 N PRO A 91 16.783 -14.126 8.296 1.00 0.00 N ATOM 1392 CA PRO A 91 17.735 -14.756 9.195 1.00 0.00 C ATOM 1393 C PRO A 91 19.135 -14.782 8.580 1.00 0.00 C ATOM 1394 O PRO A 91 19.587 -15.820 8.099 1.00 0.00 O ATOM 1395 CB PRO A 91 17.173 -16.145 9.452 1.00 0.00 C ATOM 1396 CG PRO A 91 16.181 -16.408 8.331 1.00 0.00 C ATOM 1397 CD PRO A 91 15.898 -15.085 7.639 1.00 0.00 C ATOM 0 HA PRO A 91 17.855 -14.210 10.131 1.00 0.00 H new ATOM 0 HB2 PRO A 91 17.966 -16.893 9.455 1.00 0.00 H new ATOM 0 HB3 PRO A 91 16.685 -16.195 10.425 1.00 0.00 H new ATOM 0 HG2 PRO A 91 16.588 -17.130 7.623 1.00 0.00 H new ATOM 0 HG3 PRO A 91 15.260 -16.835 8.728 1.00 0.00 H new ATOM 0 HD2 PRO A 91 16.103 -15.145 6.570 1.00 0.00 H new ATOM 0 HD3 PRO A 91 14.852 -14.797 7.747 1.00 0.00 H new ATOM 1405 N LYS A 92 19.784 -13.627 8.615 1.00 0.00 N ATOM 1406 CA LYS A 92 21.124 -13.504 8.067 1.00 0.00 C ATOM 1407 C LYS A 92 22.122 -14.169 9.018 1.00 0.00 C ATOM 1408 O LYS A 92 21.770 -14.532 10.139 1.00 0.00 O ATOM 1409 CB LYS A 92 21.446 -12.040 7.764 1.00 0.00 C ATOM 1410 CG LYS A 92 21.646 -11.822 6.263 1.00 0.00 C ATOM 1411 CD LYS A 92 20.368 -11.288 5.612 1.00 0.00 C ATOM 1412 CE LYS A 92 20.517 -9.810 5.243 1.00 0.00 C ATOM 1413 NZ LYS A 92 19.733 -8.964 6.170 1.00 0.00 N ATOM 0 H LYS A 92 19.406 -12.768 9.015 1.00 0.00 H new ATOM 0 HA LYS A 92 21.195 -14.026 7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 92 20.637 -11.404 8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 92 22.347 -11.743 8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 92 22.463 -11.119 6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 92 21.934 -12.761 5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 92 20.141 -11.869 4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 92 19.528 -11.413 6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 92 21.568 -9.524 5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 92 20.179 -9.649 4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 20.203 -8.043 6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 18.777 -8.821 5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 19.667 -9.432 7.096 1.00 0.00 H new ATOM 1427 N PRO A 93 23.380 -14.313 8.521 1.00 0.00 N ATOM 1428 CA PRO A 93 24.431 -14.928 9.313 1.00 0.00 C ATOM 1429 C PRO A 93 24.931 -13.972 10.398 1.00 0.00 C ATOM 1430 O PRO A 93 26.135 -13.848 10.614 1.00 0.00 O ATOM 1431 CB PRO A 93 25.509 -15.305 8.311 1.00 0.00 C ATOM 1432 CG PRO A 93 25.232 -14.475 7.068 1.00 0.00 C ATOM 1433 CD PRO A 93 23.833 -13.895 7.198 1.00 0.00 C ATOM 0 HA PRO A 93 24.087 -15.807 9.858 1.00 0.00 H new ATOM 0 HB2 PRO A 93 26.502 -15.094 8.708 1.00 0.00 H new ATOM 0 HB3 PRO A 93 25.476 -16.371 8.084 1.00 0.00 H new ATOM 0 HG2 PRO A 93 25.968 -13.677 6.969 1.00 0.00 H new ATOM 0 HG3 PRO A 93 25.308 -15.092 6.172 1.00 0.00 H new ATOM 0 HD2 PRO A 93 23.845 -12.809 7.108 1.00 0.00 H new ATOM 0 HD3 PRO A 93 23.174 -14.272 6.416 1.00 0.00 H new TER 1441 PRO A 93