USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -119:sc= -0.137 (180deg=-2.26!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -152:sc= -0.103 (180deg=-0.82) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-0.83) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -15:sc= 0.878 USER MOD Single : A 12 SER OG : rot -100:sc= -0.253 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.159) USER MOD Single : A 18 SER OG : rot 180:sc= -0.595 USER MOD Single : A 23 ASN : amide:sc= -3.05! C(o=-3.1!,f=-2.8!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.298 K(o=-0.3,f=-2) USER MOD Single : A 29 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.28) USER MOD Single : A 32 TYR OH : rot 180:sc= -1.65! USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= -5.74! (180deg=-6.91!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -150:sc= -0.245 USER MOD Single : A 55 TYR OH : rot -62:sc= 0.377 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.36 K(o=-1.4,f=-3!) USER MOD Single : A 64 ASN : amide:sc= -2.17! C(o=-2.2!,f=-3.1!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -107:sc= 1.18 USER MOD Single : A 70 ASN : amide:sc= -11.2! C(o=-11!,f=-21!) USER MOD Single : A 71 LYS NZ :NH3+ -134:sc= -4.79! (180deg=-8.1!) USER MOD Single : A 75 CYS SG : rot -53:sc= -1.2 USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= -0.0248 (180deg=-0.345) USER MOD Single : A 81 HIS : no HD1:sc= -0.0444 X(o=-0.044,f=-0.49) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.151) USER MOD Single : A 86 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 54.684 15.315 23.747 1.00 0.00 N ATOM 2 CA GLY A -3 55.422 14.056 23.437 1.00 0.00 C ATOM 3 C GLY A -3 56.588 14.368 22.504 1.00 0.00 C ATOM 4 O GLY A -3 56.610 13.927 21.355 1.00 0.00 O ATOM 0 H1 GLY A -3 53.889 15.104 24.383 1.00 0.00 H new ATOM 0 H2 GLY A -3 55.327 15.990 24.209 1.00 0.00 H new ATOM 0 H3 GLY A -3 54.321 15.731 22.865 1.00 0.00 H new ATOM 0 HA2 GLY A -3 55.790 13.601 24.357 1.00 0.00 H new ATOM 0 HA3 GLY A -3 54.752 13.334 22.970 1.00 0.00 H new ATOM 10 N SER A -2 57.553 15.130 23.005 1.00 0.00 N ATOM 11 CA SER A -2 58.717 15.497 22.207 1.00 0.00 C ATOM 12 C SER A -2 59.486 14.251 21.782 1.00 0.00 C ATOM 13 O SER A -2 59.966 14.160 20.653 1.00 0.00 O ATOM 14 CB SER A -2 59.636 16.414 23.015 1.00 0.00 C ATOM 15 OG SER A -2 58.968 17.644 23.266 1.00 0.00 O ATOM 0 H SER A -2 57.553 15.504 23.954 1.00 0.00 H new ATOM 0 HA SER A -2 58.373 16.022 21.316 1.00 0.00 H new ATOM 0 HB2 SER A -2 59.910 15.937 23.956 1.00 0.00 H new ATOM 0 HB3 SER A -2 60.561 16.594 22.468 1.00 0.00 H new ATOM 0 HG SER A -2 59.553 18.234 23.785 1.00 0.00 H new ATOM 21 N HIS A -1 59.598 13.290 22.694 1.00 0.00 N ATOM 22 CA HIS A -1 60.309 12.051 22.400 1.00 0.00 C ATOM 23 C HIS A -1 59.362 11.023 21.790 1.00 0.00 C ATOM 24 O HIS A -1 58.424 10.564 22.443 1.00 0.00 O ATOM 25 CB HIS A -1 60.922 11.484 23.683 1.00 0.00 C ATOM 26 CG HIS A -1 61.770 10.288 23.347 1.00 0.00 C ATOM 27 ND1 HIS A -1 61.233 9.017 23.216 1.00 0.00 N ATOM 28 CD2 HIS A -1 63.116 10.153 23.115 1.00 0.00 C ATOM 29 CE1 HIS A -1 62.243 8.179 22.916 1.00 0.00 C ATOM 30 NE2 HIS A -1 63.412 8.820 22.842 1.00 0.00 N ATOM 0 H HIS A -1 59.209 13.344 23.635 1.00 0.00 H new ATOM 0 HA HIS A -1 61.101 12.269 21.684 1.00 0.00 H new ATOM 0 HB2 HIS A -1 61.527 12.245 24.177 1.00 0.00 H new ATOM 0 HB3 HIS A -1 60.134 11.200 24.381 1.00 0.00 H new ATOM 0 HD2 HIS A -1 63.836 10.958 23.140 1.00 0.00 H new ATOM 0 HE1 HIS A -1 62.122 7.118 22.755 1.00 0.00 H new ATOM 0 HE2 HIS A -1 64.326 8.419 22.631 1.00 0.00 H new ATOM 38 N MET A 0 59.613 10.668 20.534 1.00 0.00 N ATOM 39 CA MET A 0 58.776 9.696 19.843 1.00 0.00 C ATOM 40 C MET A 0 59.547 9.033 18.706 1.00 0.00 C ATOM 41 O MET A 0 59.077 8.987 17.569 1.00 0.00 O ATOM 42 CB MET A 0 57.528 10.382 19.283 1.00 0.00 C ATOM 43 CG MET A 0 57.947 11.596 18.450 1.00 0.00 C ATOM 44 SD MET A 0 57.250 11.453 16.785 1.00 0.00 S ATOM 45 CE MET A 0 57.501 13.173 16.284 1.00 0.00 C ATOM 0 H MET A 0 60.384 11.037 19.978 1.00 0.00 H new ATOM 0 HA MET A 0 58.479 8.930 20.560 1.00 0.00 H new ATOM 0 HB2 MET A 0 56.960 9.684 18.668 1.00 0.00 H new ATOM 0 HB3 MET A 0 56.874 10.694 20.098 1.00 0.00 H new ATOM 0 HG2 MET A 0 57.599 12.514 18.924 1.00 0.00 H new ATOM 0 HG3 MET A 0 59.034 11.657 18.397 1.00 0.00 H new ATOM 0 HE1 MET A 0 57.135 13.313 15.267 1.00 0.00 H new ATOM 0 HE2 MET A 0 56.956 13.832 16.960 1.00 0.00 H new ATOM 0 HE3 MET A 0 58.564 13.412 16.323 1.00 0.00 H new ATOM 55 N MET A 1 60.734 8.526 19.021 1.00 0.00 N ATOM 56 CA MET A 1 61.560 7.869 18.017 1.00 0.00 C ATOM 57 C MET A 1 62.470 6.828 18.663 1.00 0.00 C ATOM 58 O MET A 1 62.899 6.988 19.806 1.00 0.00 O ATOM 59 CB MET A 1 62.411 8.911 17.291 1.00 0.00 C ATOM 60 CG MET A 1 63.338 9.611 18.293 1.00 0.00 C ATOM 61 SD MET A 1 64.282 10.902 17.443 1.00 0.00 S ATOM 62 CE MET A 1 65.348 9.816 16.461 1.00 0.00 C ATOM 0 H MET A 1 61.142 8.557 19.955 1.00 0.00 H new ATOM 0 HA MET A 1 60.906 7.366 17.305 1.00 0.00 H new ATOM 0 HB2 MET A 1 63.000 8.432 16.509 1.00 0.00 H new ATOM 0 HB3 MET A 1 61.768 9.643 16.803 1.00 0.00 H new ATOM 0 HG2 MET A 1 62.753 10.047 19.103 1.00 0.00 H new ATOM 0 HG3 MET A 1 64.016 8.887 18.744 1.00 0.00 H new ATOM 0 HE1 MET A 1 66.292 10.321 16.257 1.00 0.00 H new ATOM 0 HE2 MET A 1 65.540 8.897 17.015 1.00 0.00 H new ATOM 0 HE3 MET A 1 64.854 9.576 15.519 1.00 0.00 H new ATOM 72 N ALA A 2 62.772 5.769 17.919 1.00 0.00 N ATOM 73 CA ALA A 2 63.641 4.717 18.429 1.00 0.00 C ATOM 74 C ALA A 2 65.098 5.160 18.386 1.00 0.00 C ATOM 75 O ALA A 2 65.532 5.797 17.425 1.00 0.00 O ATOM 76 CB ALA A 2 63.466 3.446 17.593 1.00 0.00 C ATOM 0 H ALA A 2 62.431 5.618 16.970 1.00 0.00 H new ATOM 0 HA ALA A 2 63.366 4.512 19.464 1.00 0.00 H new ATOM 0 HB1 ALA A 2 64.119 2.663 17.980 1.00 0.00 H new ATOM 0 HB2 ALA A 2 62.429 3.114 17.648 1.00 0.00 H new ATOM 0 HB3 ALA A 2 63.725 3.655 16.555 1.00 0.00 H new ATOM 82 N THR A 3 65.850 4.818 19.427 1.00 0.00 N ATOM 83 CA THR A 3 67.261 5.183 19.497 1.00 0.00 C ATOM 84 C THR A 3 68.142 3.967 19.231 1.00 0.00 C ATOM 85 O THR A 3 69.348 4.096 19.025 1.00 0.00 O ATOM 86 CB THR A 3 67.583 5.759 20.876 1.00 0.00 C ATOM 87 OG1 THR A 3 67.289 4.791 21.872 1.00 0.00 O ATOM 88 CG2 THR A 3 66.748 7.018 21.116 1.00 0.00 C ATOM 0 H THR A 3 65.508 4.291 20.231 1.00 0.00 H new ATOM 0 HA THR A 3 67.461 5.936 18.734 1.00 0.00 H new ATOM 0 HB THR A 3 68.641 6.018 20.924 1.00 0.00 H new ATOM 0 HG1 THR A 3 67.497 5.158 22.757 1.00 0.00 H new ATOM 0 HG21 THR A 3 66.980 7.426 22.100 1.00 0.00 H new ATOM 0 HG22 THR A 3 66.980 7.760 20.352 1.00 0.00 H new ATOM 0 HG23 THR A 3 65.688 6.767 21.068 1.00 0.00 H new ATOM 96 N SER A 4 67.530 2.787 19.237 1.00 0.00 N ATOM 97 CA SER A 4 68.267 1.552 18.992 1.00 0.00 C ATOM 98 C SER A 4 68.588 1.401 17.509 1.00 0.00 C ATOM 99 O SER A 4 67.835 1.858 16.649 1.00 0.00 O ATOM 100 CB SER A 4 67.449 0.353 19.464 1.00 0.00 C ATOM 101 OG SER A 4 67.282 0.423 20.874 1.00 0.00 O ATOM 0 H SER A 4 66.532 2.660 19.408 1.00 0.00 H new ATOM 0 HA SER A 4 69.202 1.595 19.550 1.00 0.00 H new ATOM 0 HB2 SER A 4 66.477 0.345 18.971 1.00 0.00 H new ATOM 0 HB3 SER A 4 67.952 -0.575 19.192 1.00 0.00 H new ATOM 0 HG SER A 4 66.755 -0.345 21.180 1.00 0.00 H new ATOM 107 N ASP A 5 69.712 0.755 17.216 1.00 0.00 N ATOM 108 CA ASP A 5 70.122 0.546 15.832 1.00 0.00 C ATOM 109 C ASP A 5 69.765 -0.866 15.375 1.00 0.00 C ATOM 110 O ASP A 5 69.279 -1.677 16.163 1.00 0.00 O ATOM 111 CB ASP A 5 71.631 0.763 15.692 1.00 0.00 C ATOM 112 CG ASP A 5 71.998 0.988 14.229 1.00 0.00 C ATOM 113 OD1 ASP A 5 71.094 1.057 13.412 1.00 0.00 O ATOM 114 OD2 ASP A 5 73.180 1.087 13.945 1.00 0.00 O ATOM 0 H ASP A 5 70.351 0.370 17.912 1.00 0.00 H new ATOM 0 HA ASP A 5 69.594 1.265 15.205 1.00 0.00 H new ATOM 0 HB2 ASP A 5 71.939 1.622 16.288 1.00 0.00 H new ATOM 0 HB3 ASP A 5 72.168 -0.103 16.080 1.00 0.00 H new ATOM 119 N VAL A 6 70.015 -1.153 14.101 1.00 0.00 N ATOM 120 CA VAL A 6 69.718 -2.472 13.551 1.00 0.00 C ATOM 121 C VAL A 6 70.999 -3.271 13.370 1.00 0.00 C ATOM 122 O VAL A 6 71.900 -2.862 12.632 1.00 0.00 O ATOM 123 CB VAL A 6 69.007 -2.328 12.204 1.00 0.00 C ATOM 124 CG1 VAL A 6 68.758 -3.712 11.609 1.00 0.00 C ATOM 125 CG2 VAL A 6 67.670 -1.614 12.411 1.00 0.00 C ATOM 0 H VAL A 6 70.419 -0.496 13.434 1.00 0.00 H new ATOM 0 HA VAL A 6 69.068 -3.001 14.248 1.00 0.00 H new ATOM 0 HB VAL A 6 69.629 -1.747 11.523 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.251 -3.610 10.649 1.00 0.00 H new ATOM 0 HG12 VAL A 6 69.710 -4.222 11.464 1.00 0.00 H new ATOM 0 HG13 VAL A 6 68.134 -4.293 12.288 1.00 0.00 H new ATOM 0 HG21 VAL A 6 67.161 -1.510 11.453 1.00 0.00 H new ATOM 0 HG22 VAL A 6 67.048 -2.196 13.091 1.00 0.00 H new ATOM 0 HG23 VAL A 6 67.847 -0.626 12.837 1.00 0.00 H new ATOM 135 N LYS A 7 71.080 -4.407 14.053 1.00 0.00 N ATOM 136 CA LYS A 7 72.261 -5.245 13.960 1.00 0.00 C ATOM 137 C LYS A 7 72.124 -6.256 12.817 1.00 0.00 C ATOM 138 O LYS A 7 71.017 -6.694 12.496 1.00 0.00 O ATOM 139 CB LYS A 7 72.481 -5.993 15.281 1.00 0.00 C ATOM 140 CG LYS A 7 71.220 -6.768 15.646 1.00 0.00 C ATOM 141 CD LYS A 7 71.461 -7.547 16.940 1.00 0.00 C ATOM 142 CE LYS A 7 70.198 -8.326 17.305 1.00 0.00 C ATOM 143 NZ LYS A 7 70.429 -9.084 18.567 1.00 0.00 N ATOM 0 H LYS A 7 70.349 -4.763 14.669 1.00 0.00 H new ATOM 0 HA LYS A 7 73.118 -4.602 13.758 1.00 0.00 H new ATOM 0 HB2 LYS A 7 73.325 -6.676 15.188 1.00 0.00 H new ATOM 0 HB3 LYS A 7 72.728 -5.287 16.074 1.00 0.00 H new ATOM 0 HG2 LYS A 7 70.382 -6.083 15.772 1.00 0.00 H new ATOM 0 HG3 LYS A 7 70.954 -7.452 14.840 1.00 0.00 H new ATOM 0 HD2 LYS A 7 72.300 -8.231 16.815 1.00 0.00 H new ATOM 0 HD3 LYS A 7 71.725 -6.862 17.746 1.00 0.00 H new ATOM 0 HE2 LYS A 7 69.359 -7.642 17.428 1.00 0.00 H new ATOM 0 HE3 LYS A 7 69.935 -9.012 16.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 69.570 -9.614 18.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 71.219 -9.747 18.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 70.660 -8.420 19.333 1.00 0.00 H new ATOM 157 N PRO A 8 73.219 -6.645 12.211 1.00 0.00 N ATOM 158 CA PRO A 8 73.215 -7.638 11.095 1.00 0.00 C ATOM 159 C PRO A 8 72.813 -9.033 11.562 1.00 0.00 C ATOM 160 O PRO A 8 72.914 -9.354 12.745 1.00 0.00 O ATOM 161 CB PRO A 8 74.661 -7.626 10.591 1.00 0.00 C ATOM 162 CG PRO A 8 75.477 -7.119 11.723 1.00 0.00 C ATOM 163 CD PRO A 8 74.586 -6.175 12.507 1.00 0.00 C ATOM 0 HA PRO A 8 72.488 -7.380 10.325 1.00 0.00 H new ATOM 0 HB2 PRO A 8 74.981 -8.625 10.295 1.00 0.00 H new ATOM 0 HB3 PRO A 8 74.765 -6.985 9.715 1.00 0.00 H new ATOM 0 HG2 PRO A 8 75.821 -7.940 12.352 1.00 0.00 H new ATOM 0 HG3 PRO A 8 76.365 -6.602 11.360 1.00 0.00 H new ATOM 0 HD2 PRO A 8 74.800 -6.218 13.575 1.00 0.00 H new ATOM 0 HD3 PRO A 8 74.729 -5.140 12.195 1.00 0.00 H new ATOM 171 N LYS A 9 72.357 -9.856 10.624 1.00 0.00 N ATOM 172 CA LYS A 9 71.942 -11.213 10.953 1.00 0.00 C ATOM 173 C LYS A 9 73.097 -12.191 10.773 1.00 0.00 C ATOM 174 O LYS A 9 73.308 -13.080 11.599 1.00 0.00 O ATOM 175 CB LYS A 9 70.776 -11.628 10.054 1.00 0.00 C ATOM 176 CG LYS A 9 69.497 -10.931 10.526 1.00 0.00 C ATOM 177 CD LYS A 9 68.795 -11.795 11.579 1.00 0.00 C ATOM 178 CE LYS A 9 67.870 -12.805 10.888 1.00 0.00 C ATOM 179 NZ LYS A 9 67.141 -13.595 11.917 1.00 0.00 N ATOM 0 H LYS A 9 72.266 -9.610 9.638 1.00 0.00 H new ATOM 0 HA LYS A 9 71.628 -11.234 11.997 1.00 0.00 H new ATOM 0 HB2 LYS A 9 70.988 -11.361 9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 9 70.646 -12.710 10.084 1.00 0.00 H new ATOM 0 HG2 LYS A 9 69.738 -9.954 10.945 1.00 0.00 H new ATOM 0 HG3 LYS A 9 68.831 -10.760 9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 9 69.534 -12.320 12.184 1.00 0.00 H new ATOM 0 HD3 LYS A 9 68.219 -11.164 12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 9 67.161 -12.284 10.245 1.00 0.00 H new ATOM 0 HE3 LYS A 9 68.452 -13.469 10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 66.514 -14.280 11.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 67.825 -14.103 12.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 66.574 -12.955 12.509 1.00 0.00 H new ATOM 193 N SER A 10 73.845 -12.020 9.686 1.00 0.00 N ATOM 194 CA SER A 10 74.981 -12.892 9.406 1.00 0.00 C ATOM 195 C SER A 10 75.975 -12.200 8.481 1.00 0.00 C ATOM 196 O SER A 10 75.649 -11.200 7.842 1.00 0.00 O ATOM 197 CB SER A 10 74.500 -14.189 8.761 1.00 0.00 C ATOM 198 OG SER A 10 73.658 -14.884 9.671 1.00 0.00 O ATOM 0 H SER A 10 73.687 -11.291 8.990 1.00 0.00 H new ATOM 0 HA SER A 10 75.478 -13.119 10.349 1.00 0.00 H new ATOM 0 HB2 SER A 10 73.958 -13.971 7.841 1.00 0.00 H new ATOM 0 HB3 SER A 10 75.353 -14.811 8.489 1.00 0.00 H new ATOM 0 HG SER A 10 73.762 -14.504 10.568 1.00 0.00 H new ATOM 204 N ILE A 11 77.188 -12.741 8.417 1.00 0.00 N ATOM 205 CA ILE A 11 78.225 -12.178 7.560 1.00 0.00 C ATOM 206 C ILE A 11 78.842 -13.261 6.683 1.00 0.00 C ATOM 207 O ILE A 11 79.219 -14.323 7.174 1.00 0.00 O ATOM 208 CB ILE A 11 79.310 -11.515 8.407 1.00 0.00 C ATOM 209 CG1 ILE A 11 78.678 -10.430 9.286 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.359 -10.879 7.490 1.00 0.00 C ATOM 211 CD1 ILE A 11 78.405 -11.000 10.679 1.00 0.00 C ATOM 0 H ILE A 11 77.476 -13.564 8.946 1.00 0.00 H new ATOM 0 HA ILE A 11 77.767 -11.426 6.917 1.00 0.00 H new ATOM 0 HB ILE A 11 79.786 -12.265 9.038 1.00 0.00 H new ATOM 0 HG12 ILE A 11 79.344 -9.570 9.357 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.749 -10.078 8.837 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.133 -10.406 8.095 1.00 0.00 H new ATOM 0 HG22 ILE A 11 80.809 -11.649 6.863 1.00 0.00 H new ATOM 0 HG23 ILE A 11 79.883 -10.129 6.858 1.00 0.00 H new ATOM 0 HD11 ILE A 11 77.955 -10.230 11.306 1.00 0.00 H new ATOM 0 HD12 ILE A 11 77.723 -11.846 10.599 1.00 0.00 H new ATOM 0 HD13 ILE A 11 79.342 -11.331 11.127 1.00 0.00 H new ATOM 223 N SER A 12 78.942 -12.979 5.383 1.00 0.00 N ATOM 224 CA SER A 12 79.514 -13.933 4.438 1.00 0.00 C ATOM 225 C SER A 12 80.748 -13.344 3.769 1.00 0.00 C ATOM 226 O SER A 12 81.097 -12.187 4.005 1.00 0.00 O ATOM 227 CB SER A 12 78.484 -14.301 3.372 1.00 0.00 C ATOM 228 OG SER A 12 79.059 -15.245 2.478 1.00 0.00 O ATOM 0 H SER A 12 78.635 -12.101 4.964 1.00 0.00 H new ATOM 0 HA SER A 12 79.801 -14.830 4.987 1.00 0.00 H new ATOM 0 HB2 SER A 12 77.592 -14.720 3.839 1.00 0.00 H new ATOM 0 HB3 SER A 12 78.171 -13.410 2.828 1.00 0.00 H new ATOM 0 HG SER A 12 79.353 -14.787 1.663 1.00 0.00 H new ATOM 234 N ARG A 13 81.407 -14.149 2.942 1.00 0.00 N ATOM 235 CA ARG A 13 82.611 -13.700 2.249 1.00 0.00 C ATOM 236 C ARG A 13 82.354 -13.567 0.755 1.00 0.00 C ATOM 237 O ARG A 13 81.830 -14.484 0.120 1.00 0.00 O ATOM 238 CB ARG A 13 83.749 -14.691 2.478 1.00 0.00 C ATOM 239 CG ARG A 13 84.430 -14.403 3.820 1.00 0.00 C ATOM 240 CD ARG A 13 83.420 -14.567 4.957 1.00 0.00 C ATOM 241 NE ARG A 13 84.095 -14.962 6.183 1.00 0.00 N ATOM 242 CZ ARG A 13 84.611 -14.055 7.006 1.00 0.00 C ATOM 243 NH1 ARG A 13 84.519 -12.784 6.721 1.00 0.00 N ATOM 244 NH2 ARG A 13 85.210 -14.438 8.100 1.00 0.00 N ATOM 0 H ARG A 13 81.131 -15.109 2.736 1.00 0.00 H new ATOM 0 HA ARG A 13 82.889 -12.725 2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.363 -15.710 2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.475 -14.617 1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 13 85.270 -15.083 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 13 84.835 -13.391 3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 13 82.885 -13.630 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 13 82.677 -15.317 4.686 1.00 0.00 H new ATOM 0 HE ARG A 13 84.174 -15.952 6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 13 84.050 -12.486 5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 13 84.916 -12.089 7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 13 85.281 -15.431 8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 13 85.607 -13.744 8.734 1.00 0.00 H new ATOM 258 N ALA A 14 82.724 -12.417 0.202 1.00 0.00 N ATOM 259 CA ALA A 14 82.520 -12.172 -1.224 1.00 0.00 C ATOM 260 C ALA A 14 83.300 -13.182 -2.053 1.00 0.00 C ATOM 261 O ALA A 14 84.394 -13.593 -1.668 1.00 0.00 O ATOM 262 CB ALA A 14 82.970 -10.756 -1.577 1.00 0.00 C ATOM 0 H ALA A 14 83.161 -11.648 0.710 1.00 0.00 H new ATOM 0 HA ALA A 14 81.459 -12.279 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.815 -10.580 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 14 82.389 -10.035 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 14 84.028 -10.641 -1.340 1.00 0.00 H new ATOM 268 N LYS A 15 82.732 -13.588 -3.191 1.00 0.00 N ATOM 269 CA LYS A 15 83.399 -14.555 -4.054 1.00 0.00 C ATOM 270 C LYS A 15 84.089 -13.857 -5.218 1.00 0.00 C ATOM 271 O LYS A 15 85.213 -14.206 -5.578 1.00 0.00 O ATOM 272 CB LYS A 15 82.374 -15.544 -4.603 1.00 0.00 C ATOM 273 CG LYS A 15 81.639 -16.218 -3.441 1.00 0.00 C ATOM 274 CD LYS A 15 80.283 -15.540 -3.221 1.00 0.00 C ATOM 275 CE LYS A 15 79.543 -16.244 -2.083 1.00 0.00 C ATOM 276 NZ LYS A 15 78.192 -15.636 -1.920 1.00 0.00 N ATOM 0 H LYS A 15 81.825 -13.266 -3.529 1.00 0.00 H new ATOM 0 HA LYS A 15 84.149 -15.081 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.662 -15.026 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.871 -16.295 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 15 81.496 -17.277 -3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 15 82.239 -16.154 -2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 15 80.425 -14.486 -2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 15 79.691 -15.581 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 15 79.451 -17.309 -2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 15 80.109 -16.154 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 77.687 -16.114 -1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 78.291 -14.625 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 77.654 -15.744 -2.803 1.00 0.00 H new ATOM 290 N LYS A 16 83.410 -12.865 -5.798 1.00 0.00 N ATOM 291 CA LYS A 16 83.979 -12.124 -6.918 1.00 0.00 C ATOM 292 C LYS A 16 83.831 -10.618 -6.710 1.00 0.00 C ATOM 293 O LYS A 16 83.389 -10.167 -5.658 1.00 0.00 O ATOM 294 CB LYS A 16 83.303 -12.550 -8.227 1.00 0.00 C ATOM 295 CG LYS A 16 84.338 -12.656 -9.357 1.00 0.00 C ATOM 296 CD LYS A 16 83.753 -13.474 -10.502 1.00 0.00 C ATOM 297 CE LYS A 16 84.536 -13.179 -11.781 1.00 0.00 C ATOM 298 NZ LYS A 16 85.963 -13.570 -11.594 1.00 0.00 N ATOM 0 H LYS A 16 82.479 -12.562 -5.514 1.00 0.00 H new ATOM 0 HA LYS A 16 85.043 -12.353 -6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 16 82.805 -13.510 -8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.533 -11.827 -8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 16 84.612 -11.661 -9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 16 85.249 -13.126 -8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 16 83.803 -14.537 -10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 16 82.700 -13.227 -10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 16 84.105 -13.727 -12.618 1.00 0.00 H new ATOM 0 HE3 LYS A 16 84.468 -12.119 -12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 86.431 -13.628 -12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 86.444 -12.859 -11.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 86.010 -14.496 -11.123 1.00 0.00 H new ATOM 312 N TRP A 17 84.197 -9.857 -7.725 1.00 0.00 N ATOM 313 CA TRP A 17 84.100 -8.400 -7.657 1.00 0.00 C ATOM 314 C TRP A 17 82.834 -7.881 -8.336 1.00 0.00 C ATOM 315 O TRP A 17 82.545 -8.234 -9.479 1.00 0.00 O ATOM 316 CB TRP A 17 85.320 -7.772 -8.314 1.00 0.00 C ATOM 317 CG TRP A 17 85.061 -6.320 -8.561 1.00 0.00 C ATOM 318 CD1 TRP A 17 85.353 -5.319 -7.704 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.440 -5.700 -9.722 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.982 -4.114 -8.283 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.401 -4.302 -9.524 1.00 0.00 C ATOM 322 CE3 TRP A 17 83.921 -6.213 -10.924 1.00 0.00 C ATOM 323 CZ2 TRP A 17 83.866 -3.440 -10.483 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.376 -5.350 -11.889 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.352 -3.966 -11.669 1.00 0.00 C ATOM 0 H TRP A 17 84.564 -10.217 -8.606 1.00 0.00 H new ATOM 0 HA TRP A 17 84.055 -8.121 -6.604 1.00 0.00 H new ATOM 0 HB2 TRP A 17 86.194 -7.893 -7.674 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.541 -8.278 -9.254 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.801 -5.437 -6.729 1.00 0.00 H new ATOM 0 HE1 TRP A 17 85.121 -3.202 -7.847 1.00 0.00 H new ATOM 0 HE3 TRP A 17 83.942 -7.277 -11.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 83.850 -2.374 -10.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 82.973 -5.755 -12.806 1.00 0.00 H new ATOM 0 HH2 TRP A 17 82.936 -3.307 -12.417 1.00 0.00 H new ATOM 336 N SER A 18 82.093 -7.020 -7.636 1.00 0.00 N ATOM 337 CA SER A 18 80.883 -6.446 -8.203 1.00 0.00 C ATOM 338 C SER A 18 80.492 -5.182 -7.445 1.00 0.00 C ATOM 339 O SER A 18 80.901 -4.980 -6.301 1.00 0.00 O ATOM 340 CB SER A 18 79.737 -7.458 -8.137 1.00 0.00 C ATOM 341 OG SER A 18 79.358 -7.653 -6.782 1.00 0.00 O ATOM 0 H SER A 18 82.310 -6.711 -6.688 1.00 0.00 H new ATOM 0 HA SER A 18 81.077 -6.192 -9.245 1.00 0.00 H new ATOM 0 HB2 SER A 18 78.886 -7.099 -8.716 1.00 0.00 H new ATOM 0 HB3 SER A 18 80.047 -8.405 -8.579 1.00 0.00 H new ATOM 0 HG SER A 18 78.623 -8.300 -6.738 1.00 0.00 H new ATOM 347 N GLU A 19 79.687 -4.340 -8.084 1.00 0.00 N ATOM 348 CA GLU A 19 79.238 -3.105 -7.455 1.00 0.00 C ATOM 349 C GLU A 19 78.843 -3.356 -6.010 1.00 0.00 C ATOM 350 O GLU A 19 78.993 -2.479 -5.158 1.00 0.00 O ATOM 351 CB GLU A 19 78.047 -2.527 -8.220 1.00 0.00 C ATOM 352 CG GLU A 19 78.474 -1.264 -8.971 1.00 0.00 C ATOM 353 CD GLU A 19 77.338 -0.783 -9.871 1.00 0.00 C ATOM 354 OE1 GLU A 19 76.264 -1.355 -9.791 1.00 0.00 O ATOM 355 OE2 GLU A 19 77.561 0.150 -10.624 1.00 0.00 O ATOM 0 H GLU A 19 79.335 -4.489 -9.030 1.00 0.00 H new ATOM 0 HA GLU A 19 80.061 -2.390 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 19 77.662 -3.266 -8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 19 77.238 -2.293 -7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 19 78.743 -0.482 -8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 19 79.361 -1.469 -9.570 1.00 0.00 H new ATOM 362 N GLU A 20 78.344 -4.553 -5.737 1.00 0.00 N ATOM 363 CA GLU A 20 77.939 -4.900 -4.383 1.00 0.00 C ATOM 364 C GLU A 20 79.153 -5.025 -3.469 1.00 0.00 C ATOM 365 O GLU A 20 79.136 -4.538 -2.340 1.00 0.00 O ATOM 366 CB GLU A 20 77.175 -6.225 -4.397 1.00 0.00 C ATOM 367 CG GLU A 20 75.881 -6.059 -5.199 1.00 0.00 C ATOM 368 CD GLU A 20 74.927 -5.127 -4.462 1.00 0.00 C ATOM 369 OE1 GLU A 20 75.113 -4.942 -3.270 1.00 0.00 O ATOM 370 OE2 GLU A 20 74.025 -4.610 -5.099 1.00 0.00 O ATOM 0 H GLU A 20 78.211 -5.293 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 20 77.296 -4.106 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.791 -7.008 -4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.946 -6.536 -3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 20 76.105 -5.657 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.410 -7.030 -5.350 1.00 0.00 H new ATOM 377 N ILE A 21 80.205 -5.678 -3.959 1.00 0.00 N ATOM 378 CA ILE A 21 81.411 -5.859 -3.157 1.00 0.00 C ATOM 379 C ILE A 21 82.224 -4.576 -3.132 1.00 0.00 C ATOM 380 O ILE A 21 82.458 -4.007 -2.066 1.00 0.00 O ATOM 381 CB ILE A 21 82.253 -6.999 -3.740 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.340 -8.186 -4.071 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.320 -7.438 -2.733 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.438 -8.502 -2.882 1.00 0.00 C ATOM 0 H ILE A 21 80.247 -6.085 -4.893 1.00 0.00 H new ATOM 0 HA ILE A 21 81.122 -6.110 -2.136 1.00 0.00 H new ATOM 0 HB ILE A 21 82.747 -6.650 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.733 -7.955 -4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 21 81.942 -9.059 -4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.911 -8.248 -3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.972 -6.595 -2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.837 -7.783 -1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.794 -9.346 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 21 81.051 -8.754 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.823 -7.632 -2.650 1.00 0.00 H new ATOM 396 N GLU A 22 82.671 -4.136 -4.303 1.00 0.00 N ATOM 397 CA GLU A 22 83.477 -2.932 -4.379 1.00 0.00 C ATOM 398 C GLU A 22 82.884 -1.858 -3.496 1.00 0.00 C ATOM 399 O GLU A 22 83.585 -1.207 -2.725 1.00 0.00 O ATOM 400 CB GLU A 22 83.516 -2.442 -5.826 1.00 0.00 C ATOM 401 CG GLU A 22 84.395 -1.197 -5.939 1.00 0.00 C ATOM 402 CD GLU A 22 84.468 -0.734 -7.391 1.00 0.00 C ATOM 403 OE1 GLU A 22 83.784 -1.317 -8.214 1.00 0.00 O ATOM 404 OE2 GLU A 22 85.213 0.195 -7.657 1.00 0.00 O ATOM 0 H GLU A 22 82.490 -4.590 -5.198 1.00 0.00 H new ATOM 0 HA GLU A 22 84.489 -3.153 -4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.903 -3.229 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 22 82.506 -2.215 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.991 -0.400 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 22 85.397 -1.415 -5.568 1.00 0.00 H new ATOM 411 N ASN A 23 81.583 -1.684 -3.598 1.00 0.00 N ATOM 412 CA ASN A 23 80.893 -0.691 -2.783 1.00 0.00 C ATOM 413 C ASN A 23 81.081 -0.989 -1.295 1.00 0.00 C ATOM 414 O ASN A 23 81.439 -0.108 -0.515 1.00 0.00 O ATOM 415 CB ASN A 23 79.398 -0.715 -3.086 1.00 0.00 C ATOM 416 CG ASN A 23 78.657 0.216 -2.144 1.00 0.00 C ATOM 417 OD1 ASN A 23 78.264 1.319 -2.542 1.00 0.00 O ATOM 418 ND2 ASN A 23 78.427 -0.178 -0.924 1.00 0.00 N ATOM 0 H ASN A 23 80.980 -2.210 -4.231 1.00 0.00 H new ATOM 0 HA ASN A 23 81.314 0.286 -3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 23 79.224 -0.413 -4.119 1.00 0.00 H new ATOM 0 HB3 ASN A 23 79.015 -1.730 -2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.916 0.426 -0.281 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.758 -1.091 -0.612 1.00 0.00 H new ATOM 425 N LEU A 24 80.837 -2.241 -0.899 1.00 0.00 N ATOM 426 CA LEU A 24 80.973 -2.622 0.498 1.00 0.00 C ATOM 427 C LEU A 24 82.360 -2.275 1.002 1.00 0.00 C ATOM 428 O LEU A 24 82.501 -1.811 2.120 1.00 0.00 O ATOM 429 CB LEU A 24 80.731 -4.126 0.650 1.00 0.00 C ATOM 430 CG LEU A 24 79.227 -4.398 0.648 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.980 -5.873 0.352 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.630 -4.062 2.024 1.00 0.00 C ATOM 0 H LEU A 24 80.548 -2.995 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 24 80.236 -2.076 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 24 81.211 -4.668 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 24 81.176 -4.486 1.578 1.00 0.00 H new ATOM 0 HG LEU A 24 78.756 -3.778 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.908 -6.069 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.396 -6.123 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.459 -6.483 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.558 -4.259 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 24 79.105 -4.679 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.803 -3.010 2.249 1.00 0.00 H new ATOM 444 N TYR A 25 83.365 -2.479 0.171 1.00 0.00 N ATOM 445 CA TYR A 25 84.728 -2.153 0.561 1.00 0.00 C ATOM 446 C TYR A 25 84.848 -0.668 0.882 1.00 0.00 C ATOM 447 O TYR A 25 85.405 -0.294 1.911 1.00 0.00 O ATOM 448 CB TYR A 25 85.693 -2.512 -0.571 1.00 0.00 C ATOM 449 CG TYR A 25 87.077 -2.008 -0.240 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.871 -2.689 0.689 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.569 -0.859 -0.870 1.00 0.00 C ATOM 452 CE1 TYR A 25 89.154 -2.224 0.988 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.854 -0.391 -0.570 1.00 0.00 C ATOM 454 CZ TYR A 25 89.647 -1.075 0.360 1.00 0.00 C ATOM 455 OH TYR A 25 90.913 -0.617 0.659 1.00 0.00 O ATOM 0 H TYR A 25 83.268 -2.864 -0.768 1.00 0.00 H new ATOM 0 HA TYR A 25 84.982 -2.729 1.451 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.714 -3.592 -0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 25 85.350 -2.072 -1.507 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.492 -3.575 1.176 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.957 -0.333 -1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.766 -2.752 1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 25 89.233 0.496 -1.055 1.00 0.00 H new ATOM 0 HH TYR A 25 91.101 0.190 0.135 1.00 0.00 H new ATOM 465 N ARG A 26 84.330 0.173 -0.001 1.00 0.00 N ATOM 466 CA ARG A 26 84.409 1.618 0.203 1.00 0.00 C ATOM 467 C ARG A 26 83.690 2.018 1.491 1.00 0.00 C ATOM 468 O ARG A 26 84.240 2.743 2.320 1.00 0.00 O ATOM 469 CB ARG A 26 83.755 2.338 -0.975 1.00 0.00 C ATOM 470 CG ARG A 26 84.528 2.034 -2.258 1.00 0.00 C ATOM 471 CD ARG A 26 83.989 2.894 -3.402 1.00 0.00 C ATOM 472 NE ARG A 26 84.629 2.519 -4.658 1.00 0.00 N ATOM 473 CZ ARG A 26 84.551 3.301 -5.729 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.905 4.433 -5.665 1.00 0.00 N ATOM 475 NH2 ARG A 26 85.121 2.938 -6.845 1.00 0.00 N ATOM 0 H ARG A 26 83.855 -0.112 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 26 85.459 1.900 0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.718 2.018 -1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.740 3.413 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.589 2.233 -2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.434 0.978 -2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.909 2.768 -3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 26 84.172 3.948 -3.192 1.00 0.00 H new ATOM 0 HE ARG A 26 85.145 1.641 -4.715 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.460 4.718 -4.792 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.845 5.033 -6.487 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.627 2.054 -6.895 1.00 0.00 H new ATOM 0 HH22 ARG A 26 85.061 3.539 -7.667 1.00 0.00 H new ATOM 489 N PHE A 27 82.457 1.539 1.659 1.00 0.00 N ATOM 490 CA PHE A 27 81.691 1.859 2.863 1.00 0.00 C ATOM 491 C PHE A 27 82.360 1.270 4.101 1.00 0.00 C ATOM 492 O PHE A 27 82.530 1.953 5.111 1.00 0.00 O ATOM 493 CB PHE A 27 80.264 1.314 2.726 1.00 0.00 C ATOM 494 CG PHE A 27 79.423 2.299 1.944 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.351 2.220 0.554 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.708 3.295 2.616 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.571 3.134 -0.157 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.931 4.206 1.890 1.00 0.00 C ATOM 499 CZ PHE A 27 77.865 4.122 0.510 1.00 0.00 C ATOM 0 H PHE A 27 81.975 0.939 0.990 1.00 0.00 H new ATOM 0 HA PHE A 27 81.655 2.942 2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.279 0.349 2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.829 1.150 3.712 1.00 0.00 H new ATOM 0 HD1 PHE A 27 79.898 1.452 0.027 1.00 0.00 H new ATOM 0 HD2 PHE A 27 78.755 3.362 3.693 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.518 3.070 -1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 27 77.381 4.977 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 27 77.264 4.826 -0.046 1.00 0.00 H new ATOM 509 N GLN A 28 82.739 -0.003 4.017 1.00 0.00 N ATOM 510 CA GLN A 28 83.380 -0.682 5.136 1.00 0.00 C ATOM 511 C GLN A 28 84.596 0.106 5.589 1.00 0.00 C ATOM 512 O GLN A 28 84.805 0.300 6.783 1.00 0.00 O ATOM 513 CB GLN A 28 83.807 -2.090 4.719 1.00 0.00 C ATOM 514 CG GLN A 28 82.603 -3.037 4.765 1.00 0.00 C ATOM 515 CD GLN A 28 82.991 -4.397 4.195 1.00 0.00 C ATOM 516 OE1 GLN A 28 84.167 -4.763 4.205 1.00 0.00 O ATOM 517 NE2 GLN A 28 82.068 -5.177 3.705 1.00 0.00 N ATOM 0 H GLN A 28 82.613 -0.582 3.187 1.00 0.00 H new ATOM 0 HA GLN A 28 82.669 -0.753 5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 28 84.226 -2.069 3.713 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.591 -2.453 5.383 1.00 0.00 H new ATOM 0 HG2 GLN A 28 82.256 -3.149 5.792 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.776 -2.616 4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 28 81.094 -4.873 3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 28 82.320 -6.091 3.329 1.00 0.00 H new ATOM 526 N GLN A 29 85.371 0.598 4.628 1.00 0.00 N ATOM 527 CA GLN A 29 86.544 1.395 4.954 1.00 0.00 C ATOM 528 C GLN A 29 86.138 2.645 5.726 1.00 0.00 C ATOM 529 O GLN A 29 86.821 3.056 6.661 1.00 0.00 O ATOM 530 CB GLN A 29 87.276 1.789 3.667 1.00 0.00 C ATOM 531 CG GLN A 29 88.027 0.574 3.112 1.00 0.00 C ATOM 532 CD GLN A 29 89.230 0.265 3.990 1.00 0.00 C ATOM 533 OE1 GLN A 29 90.067 1.137 4.227 1.00 0.00 O ATOM 534 NE2 GLN A 29 89.372 -0.932 4.491 1.00 0.00 N ATOM 0 H GLN A 29 85.210 0.461 3.630 1.00 0.00 H new ATOM 0 HA GLN A 29 87.211 0.801 5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 29 86.563 2.157 2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.975 2.601 3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.362 -0.289 3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 29 88.352 0.772 2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 29 88.678 -1.653 4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 29 90.177 -1.146 5.080 1.00 0.00 H new ATOM 543 N ALA A 30 85.017 3.236 5.333 1.00 0.00 N ATOM 544 CA ALA A 30 84.524 4.434 6.003 1.00 0.00 C ATOM 545 C ALA A 30 84.066 4.098 7.419 1.00 0.00 C ATOM 546 O ALA A 30 83.939 4.981 8.267 1.00 0.00 O ATOM 547 CB ALA A 30 83.356 5.037 5.216 1.00 0.00 C ATOM 0 H ALA A 30 84.436 2.910 4.561 1.00 0.00 H new ATOM 0 HA ALA A 30 85.336 5.160 6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 30 82.997 5.931 5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.691 5.302 4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.548 4.308 5.148 1.00 0.00 H new ATOM 553 N GLY A 31 83.812 2.813 7.664 1.00 0.00 N ATOM 554 CA GLY A 31 83.359 2.364 8.975 1.00 0.00 C ATOM 555 C GLY A 31 81.875 2.011 8.958 1.00 0.00 C ATOM 556 O GLY A 31 81.279 1.771 10.010 1.00 0.00 O ATOM 0 H GLY A 31 83.912 2.069 6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.938 1.494 9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.541 3.146 9.712 1.00 0.00 H new ATOM 560 N TYR A 32 81.281 1.982 7.766 1.00 0.00 N ATOM 561 CA TYR A 32 79.873 1.661 7.624 1.00 0.00 C ATOM 562 C TYR A 32 79.692 0.310 6.950 1.00 0.00 C ATOM 563 O TYR A 32 80.481 -0.083 6.097 1.00 0.00 O ATOM 564 CB TYR A 32 79.193 2.737 6.785 1.00 0.00 C ATOM 565 CG TYR A 32 79.441 4.102 7.393 1.00 0.00 C ATOM 566 CD1 TYR A 32 79.197 4.339 8.758 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.933 5.138 6.591 1.00 0.00 C ATOM 568 CE1 TYR A 32 79.446 5.594 9.305 1.00 0.00 C ATOM 569 CE2 TYR A 32 80.180 6.394 7.151 1.00 0.00 C ATOM 570 CZ TYR A 32 79.940 6.623 8.505 1.00 0.00 C ATOM 571 OH TYR A 32 80.184 7.867 9.051 1.00 0.00 O ATOM 0 H TYR A 32 81.759 2.178 6.887 1.00 0.00 H new ATOM 0 HA TYR A 32 79.424 1.618 8.616 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.575 2.710 5.765 1.00 0.00 H new ATOM 0 HB3 TYR A 32 78.122 2.544 6.730 1.00 0.00 H new ATOM 0 HD1 TYR A 32 78.816 3.545 9.383 1.00 0.00 H new ATOM 0 HD2 TYR A 32 80.121 4.967 5.541 1.00 0.00 H new ATOM 0 HE1 TYR A 32 79.256 5.771 10.353 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.559 7.193 6.531 1.00 0.00 H new ATOM 0 HH TYR A 32 80.527 8.468 8.356 1.00 0.00 H new ATOM 581 N ARG A 33 78.640 -0.391 7.344 1.00 0.00 N ATOM 582 CA ARG A 33 78.354 -1.701 6.774 1.00 0.00 C ATOM 583 C ARG A 33 77.700 -1.556 5.404 1.00 0.00 C ATOM 584 O ARG A 33 77.924 -2.371 4.510 1.00 0.00 O ATOM 585 CB ARG A 33 77.434 -2.495 7.706 1.00 0.00 C ATOM 586 CG ARG A 33 76.416 -1.551 8.352 1.00 0.00 C ATOM 587 CD ARG A 33 76.895 -1.172 9.755 1.00 0.00 C ATOM 588 NE ARG A 33 76.653 -2.272 10.682 1.00 0.00 N ATOM 589 CZ ARG A 33 77.006 -2.182 11.959 1.00 0.00 C ATOM 590 NH1 ARG A 33 77.577 -1.096 12.404 1.00 0.00 N ATOM 591 NH2 ARG A 33 76.777 -3.177 12.770 1.00 0.00 N ATOM 0 H ARG A 33 77.974 -0.079 8.051 1.00 0.00 H new ATOM 0 HA ARG A 33 79.295 -2.238 6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.917 -3.274 7.146 1.00 0.00 H new ATOM 0 HB3 ARG A 33 78.023 -2.993 8.476 1.00 0.00 H new ATOM 0 HG2 ARG A 33 76.296 -0.655 7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.440 -2.033 8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 33 77.958 -0.933 9.732 1.00 0.00 H new ATOM 0 HD3 ARG A 33 76.374 -0.277 10.096 1.00 0.00 H new ATOM 0 HE ARG A 33 76.205 -3.124 10.344 1.00 0.00 H new ATOM 0 HH11 ARG A 33 77.752 -0.316 11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 33 77.848 -1.027 13.385 1.00 0.00 H new ATOM 0 HH21 ARG A 33 76.327 -4.024 12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 33 77.048 -3.108 13.751 1.00 0.00 H new ATOM 605 N ASP A 34 76.884 -0.516 5.250 1.00 0.00 N ATOM 606 CA ASP A 34 76.193 -0.269 3.991 1.00 0.00 C ATOM 607 C ASP A 34 75.623 1.141 3.959 1.00 0.00 C ATOM 608 O ASP A 34 75.701 1.878 4.943 1.00 0.00 O ATOM 609 CB ASP A 34 75.064 -1.281 3.799 1.00 0.00 C ATOM 610 CG ASP A 34 74.492 -1.169 2.390 1.00 0.00 C ATOM 611 OD1 ASP A 34 75.001 -1.842 1.510 1.00 0.00 O ATOM 612 OD2 ASP A 34 73.552 -0.411 2.211 1.00 0.00 O ATOM 0 H ASP A 34 76.687 0.167 5.981 1.00 0.00 H new ATOM 0 HA ASP A 34 76.915 -0.377 3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 34 75.438 -2.291 3.969 1.00 0.00 H new ATOM 0 HB3 ASP A 34 74.278 -1.104 4.534 1.00 0.00 H new ATOM 617 N GLU A 35 75.057 1.514 2.818 1.00 0.00 N ATOM 618 CA GLU A 35 74.497 2.844 2.659 1.00 0.00 C ATOM 619 C GLU A 35 73.591 3.176 3.836 1.00 0.00 C ATOM 620 O GLU A 35 73.542 4.318 4.292 1.00 0.00 O ATOM 621 CB GLU A 35 73.681 2.917 1.370 1.00 0.00 C ATOM 622 CG GLU A 35 74.614 2.878 0.161 1.00 0.00 C ATOM 623 CD GLU A 35 73.803 2.799 -1.128 1.00 0.00 C ATOM 624 OE1 GLU A 35 72.615 2.540 -1.045 1.00 0.00 O ATOM 625 OE2 GLU A 35 74.384 3.010 -2.180 1.00 0.00 O ATOM 0 H GLU A 35 74.975 0.916 1.996 1.00 0.00 H new ATOM 0 HA GLU A 35 75.317 3.561 2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 35 72.979 2.084 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 35 73.090 3.833 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 35 75.243 3.768 0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 35 75.280 2.018 0.234 1.00 0.00 H new ATOM 632 N ILE A 36 72.869 2.177 4.321 1.00 0.00 N ATOM 633 CA ILE A 36 71.958 2.383 5.443 1.00 0.00 C ATOM 634 C ILE A 36 72.653 3.117 6.589 1.00 0.00 C ATOM 635 O ILE A 36 72.211 4.188 7.003 1.00 0.00 O ATOM 636 CB ILE A 36 71.456 1.030 5.957 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.992 0.171 4.775 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.288 1.240 6.924 1.00 0.00 C ATOM 639 CD1 ILE A 36 70.028 0.972 3.897 1.00 0.00 C ATOM 0 H ILE A 36 72.893 1.223 3.961 1.00 0.00 H new ATOM 0 HA ILE A 36 71.123 2.988 5.091 1.00 0.00 H new ATOM 0 HB ILE A 36 72.268 0.524 6.479 1.00 0.00 H new ATOM 0 HG12 ILE A 36 71.852 -0.150 4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.501 -0.731 5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 36 69.936 0.274 7.285 1.00 0.00 H new ATOM 0 HG22 ILE A 36 70.619 1.845 7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.476 1.752 6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.702 0.356 3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 36 69.161 1.270 4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 36 70.533 1.861 3.519 1.00 0.00 H new ATOM 651 N GLU A 37 73.720 2.532 7.106 1.00 0.00 N ATOM 652 CA GLU A 37 74.442 3.140 8.219 1.00 0.00 C ATOM 653 C GLU A 37 74.981 4.512 7.828 1.00 0.00 C ATOM 654 O GLU A 37 74.961 5.449 8.627 1.00 0.00 O ATOM 655 CB GLU A 37 75.599 2.237 8.643 1.00 0.00 C ATOM 656 CG GLU A 37 76.210 2.751 9.949 1.00 0.00 C ATOM 657 CD GLU A 37 75.198 2.623 11.080 1.00 0.00 C ATOM 658 OE1 GLU A 37 74.289 1.820 10.943 1.00 0.00 O ATOM 659 OE2 GLU A 37 75.341 3.329 12.062 1.00 0.00 O ATOM 0 H GLU A 37 74.105 1.646 6.780 1.00 0.00 H new ATOM 0 HA GLU A 37 73.750 3.261 9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.244 1.215 8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.358 2.213 7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.109 2.183 10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.511 3.792 9.835 1.00 0.00 H new ATOM 666 N TYR A 38 75.462 4.623 6.599 1.00 0.00 N ATOM 667 CA TYR A 38 75.998 5.886 6.108 1.00 0.00 C ATOM 668 C TYR A 38 74.945 6.981 6.142 1.00 0.00 C ATOM 669 O TYR A 38 75.224 8.099 6.576 1.00 0.00 O ATOM 670 CB TYR A 38 76.503 5.723 4.686 1.00 0.00 C ATOM 671 CG TYR A 38 76.860 7.076 4.108 1.00 0.00 C ATOM 672 CD1 TYR A 38 78.001 7.745 4.550 1.00 0.00 C ATOM 673 CD2 TYR A 38 76.045 7.659 3.132 1.00 0.00 C ATOM 674 CE1 TYR A 38 78.335 8.997 4.023 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.377 8.913 2.601 1.00 0.00 C ATOM 676 CZ TYR A 38 77.522 9.582 3.048 1.00 0.00 C ATOM 677 OH TYR A 38 77.848 10.817 2.527 1.00 0.00 O ATOM 0 H TYR A 38 75.493 3.858 5.925 1.00 0.00 H new ATOM 0 HA TYR A 38 76.822 6.173 6.762 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.376 5.071 4.673 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.739 5.246 4.072 1.00 0.00 H new ATOM 0 HD1 TYR A 38 78.630 7.294 5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 38 75.161 7.143 2.788 1.00 0.00 H new ATOM 0 HE1 TYR A 38 79.220 9.511 4.369 1.00 0.00 H new ATOM 0 HE2 TYR A 38 75.749 9.363 1.847 1.00 0.00 H new ATOM 0 HH TYR A 38 77.179 11.078 1.860 1.00 0.00 H new ATOM 687 N LYS A 39 73.744 6.668 5.667 1.00 0.00 N ATOM 688 CA LYS A 39 72.670 7.645 5.637 1.00 0.00 C ATOM 689 C LYS A 39 72.346 8.140 7.039 1.00 0.00 C ATOM 690 O LYS A 39 72.110 9.330 7.240 1.00 0.00 O ATOM 691 CB LYS A 39 71.421 7.007 5.028 1.00 0.00 C ATOM 692 CG LYS A 39 71.624 6.798 3.524 1.00 0.00 C ATOM 693 CD LYS A 39 70.451 5.995 2.954 1.00 0.00 C ATOM 694 CE LYS A 39 70.605 5.873 1.437 1.00 0.00 C ATOM 695 NZ LYS A 39 70.306 7.183 0.803 1.00 0.00 N ATOM 0 H LYS A 39 73.494 5.750 5.300 1.00 0.00 H new ATOM 0 HA LYS A 39 72.992 8.494 5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 39 71.216 6.052 5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.554 7.645 5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.698 7.761 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.561 6.271 3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.420 5.004 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.509 6.486 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 39 71.618 5.559 1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 39 69.930 5.108 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 70.751 7.224 -0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.277 7.293 0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 70.680 7.950 1.397 1.00 0.00 H new ATOM 709 N GLN A 40 72.331 7.230 8.002 1.00 0.00 N ATOM 710 CA GLN A 40 72.026 7.602 9.379 1.00 0.00 C ATOM 711 C GLN A 40 73.042 8.615 9.899 1.00 0.00 C ATOM 712 O GLN A 40 72.679 9.595 10.545 1.00 0.00 O ATOM 713 CB GLN A 40 72.052 6.356 10.267 1.00 0.00 C ATOM 714 CG GLN A 40 71.653 6.732 11.698 1.00 0.00 C ATOM 715 CD GLN A 40 71.615 5.487 12.576 1.00 0.00 C ATOM 716 OE1 GLN A 40 72.527 4.661 12.521 1.00 0.00 O ATOM 717 NE2 GLN A 40 70.613 5.306 13.389 1.00 0.00 N ATOM 0 H GLN A 40 72.524 6.239 7.860 1.00 0.00 H new ATOM 0 HA GLN A 40 71.034 8.053 9.405 1.00 0.00 H new ATOM 0 HB2 GLN A 40 71.368 5.604 9.874 1.00 0.00 H new ATOM 0 HB3 GLN A 40 73.049 5.915 10.261 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.364 7.452 12.105 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.676 7.215 11.696 1.00 0.00 H new ATOM 0 HE21 GLN A 40 69.860 5.993 13.431 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.582 4.478 13.983 1.00 0.00 H new ATOM 726 N VAL A 41 74.313 8.373 9.614 1.00 0.00 N ATOM 727 CA VAL A 41 75.368 9.270 10.071 1.00 0.00 C ATOM 728 C VAL A 41 75.188 10.667 9.485 1.00 0.00 C ATOM 729 O VAL A 41 75.327 11.666 10.191 1.00 0.00 O ATOM 730 CB VAL A 41 76.733 8.718 9.661 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.820 9.754 9.958 1.00 0.00 C ATOM 732 CG2 VAL A 41 77.023 7.433 10.441 1.00 0.00 C ATOM 0 H VAL A 41 74.639 7.571 9.074 1.00 0.00 H new ATOM 0 HA VAL A 41 75.310 9.338 11.157 1.00 0.00 H new ATOM 0 HB VAL A 41 76.726 8.500 8.593 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.791 9.356 9.664 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.616 10.666 9.397 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.827 9.978 11.025 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.997 7.041 10.147 1.00 0.00 H new ATOM 0 HG22 VAL A 41 77.026 7.649 11.509 1.00 0.00 H new ATOM 0 HG23 VAL A 41 76.253 6.693 10.222 1.00 0.00 H new ATOM 742 N LYS A 42 74.880 10.727 8.199 1.00 0.00 N ATOM 743 CA LYS A 42 74.685 12.008 7.534 1.00 0.00 C ATOM 744 C LYS A 42 73.214 12.400 7.536 1.00 0.00 C ATOM 745 O LYS A 42 72.845 13.448 7.007 1.00 0.00 O ATOM 746 CB LYS A 42 75.202 11.928 6.096 1.00 0.00 C ATOM 747 CG LYS A 42 76.707 11.630 6.100 1.00 0.00 C ATOM 748 CD LYS A 42 77.500 12.926 6.319 1.00 0.00 C ATOM 749 CE LYS A 42 78.988 12.648 6.141 1.00 0.00 C ATOM 750 NZ LYS A 42 79.275 12.400 4.700 1.00 0.00 N ATOM 0 H LYS A 42 74.760 9.912 7.598 1.00 0.00 H new ATOM 0 HA LYS A 42 75.244 12.770 8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.669 11.149 5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 42 75.009 12.867 5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.942 10.913 6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 42 76.998 11.172 5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.174 13.688 5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.309 13.317 7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.573 13.495 6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.282 11.783 6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.659 11.441 4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.397 12.491 4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.970 13.095 4.360 1.00 0.00 H new ATOM 764 N GLN A 43 72.380 11.558 8.137 1.00 0.00 N ATOM 765 CA GLN A 43 70.952 11.837 8.204 1.00 0.00 C ATOM 766 C GLN A 43 70.420 12.270 6.839 1.00 0.00 C ATOM 767 O GLN A 43 69.750 13.294 6.725 1.00 0.00 O ATOM 768 CB GLN A 43 70.681 12.935 9.228 1.00 0.00 C ATOM 769 CG GLN A 43 71.081 12.441 10.618 1.00 0.00 C ATOM 770 CD GLN A 43 70.878 13.551 11.643 1.00 0.00 C ATOM 771 OE1 GLN A 43 71.200 14.709 11.378 1.00 0.00 O ATOM 772 NE2 GLN A 43 70.358 13.266 12.804 1.00 0.00 N ATOM 0 H GLN A 43 72.665 10.685 8.581 1.00 0.00 H new ATOM 0 HA GLN A 43 70.440 10.923 8.506 1.00 0.00 H new ATOM 0 HB2 GLN A 43 71.244 13.833 8.973 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.625 13.207 9.216 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.484 11.570 10.889 1.00 0.00 H new ATOM 0 HG3 GLN A 43 72.124 12.124 10.614 1.00 0.00 H new ATOM 0 HE21 GLN A 43 70.092 12.306 13.022 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.217 14.003 13.495 1.00 0.00 H new ATOM 781 N VAL A 44 70.730 11.487 5.812 1.00 0.00 N ATOM 782 CA VAL A 44 70.288 11.797 4.453 1.00 0.00 C ATOM 783 C VAL A 44 69.629 10.581 3.814 1.00 0.00 C ATOM 784 O VAL A 44 69.398 9.568 4.475 1.00 0.00 O ATOM 785 CB VAL A 44 71.476 12.245 3.598 1.00 0.00 C ATOM 786 CG1 VAL A 44 72.055 13.543 4.163 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.552 11.158 3.607 1.00 0.00 C ATOM 0 H VAL A 44 71.284 10.634 5.892 1.00 0.00 H new ATOM 0 HA VAL A 44 69.560 12.606 4.508 1.00 0.00 H new ATOM 0 HB VAL A 44 71.141 12.414 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 44 72.901 13.860 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 44 71.289 14.318 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.389 13.377 5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.397 11.478 2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.886 10.986 4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 44 72.140 10.235 3.199 1.00 0.00 H new ATOM 797 N ALA A 45 69.314 10.692 2.528 1.00 0.00 N ATOM 798 CA ALA A 45 68.674 9.599 1.811 1.00 0.00 C ATOM 799 C ALA A 45 69.181 9.525 0.376 1.00 0.00 C ATOM 800 O ALA A 45 68.459 9.100 -0.525 1.00 0.00 O ATOM 801 CB ALA A 45 67.161 9.794 1.808 1.00 0.00 C ATOM 0 H ALA A 45 69.491 11.524 1.965 1.00 0.00 H new ATOM 0 HA ALA A 45 68.920 8.666 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.689 8.972 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.795 9.813 2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 45 66.917 10.736 1.318 1.00 0.00 H new ATOM 807 N MET A 46 70.427 9.935 0.172 1.00 0.00 N ATOM 808 CA MET A 46 71.022 9.908 -1.161 1.00 0.00 C ATOM 809 C MET A 46 72.542 9.992 -1.079 1.00 0.00 C ATOM 810 O MET A 46 73.088 10.897 -0.447 1.00 0.00 O ATOM 811 CB MET A 46 70.491 11.077 -1.991 1.00 0.00 C ATOM 812 CG MET A 46 69.573 10.553 -3.099 1.00 0.00 C ATOM 813 SD MET A 46 69.006 11.936 -4.119 1.00 0.00 S ATOM 814 CE MET A 46 68.272 10.948 -5.445 1.00 0.00 C ATOM 0 H MET A 46 71.042 10.288 0.905 1.00 0.00 H new ATOM 0 HA MET A 46 70.750 8.966 -1.637 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.945 11.770 -1.351 1.00 0.00 H new ATOM 0 HB3 MET A 46 71.322 11.632 -2.427 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.106 9.828 -3.714 1.00 0.00 H new ATOM 0 HG3 MET A 46 68.719 10.035 -2.663 1.00 0.00 H new ATOM 0 HE1 MET A 46 67.852 11.610 -6.202 1.00 0.00 H new ATOM 0 HE2 MET A 46 69.039 10.320 -5.898 1.00 0.00 H new ATOM 0 HE3 MET A 46 67.483 10.318 -5.035 1.00 0.00 H new ATOM 824 N VAL A 47 73.224 9.049 -1.729 1.00 0.00 N ATOM 825 CA VAL A 47 74.681 9.035 -1.724 1.00 0.00 C ATOM 826 C VAL A 47 75.212 9.512 -3.072 1.00 0.00 C ATOM 827 O VAL A 47 74.774 9.034 -4.121 1.00 0.00 O ATOM 828 CB VAL A 47 75.191 7.623 -1.440 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.717 7.642 -1.338 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.586 7.122 -0.131 1.00 0.00 C ATOM 0 H VAL A 47 72.793 8.293 -2.260 1.00 0.00 H new ATOM 0 HA VAL A 47 75.036 9.706 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 47 74.897 6.955 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 47 77.081 6.635 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 47 77.140 7.998 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 47 77.019 8.307 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 47 74.948 6.115 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.878 7.786 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.499 7.107 -0.215 1.00 0.00 H new ATOM 840 N ASP A 48 76.148 10.454 -3.042 1.00 0.00 N ATOM 841 CA ASP A 48 76.722 10.990 -4.275 1.00 0.00 C ATOM 842 C ASP A 48 77.398 9.887 -5.075 1.00 0.00 C ATOM 843 O ASP A 48 78.236 9.148 -4.554 1.00 0.00 O ATOM 844 CB ASP A 48 77.746 12.072 -3.937 1.00 0.00 C ATOM 845 CG ASP A 48 77.033 13.328 -3.445 1.00 0.00 C ATOM 846 OD1 ASP A 48 75.834 13.422 -3.646 1.00 0.00 O ATOM 847 OD2 ASP A 48 77.694 14.174 -2.869 1.00 0.00 O ATOM 0 H ASP A 48 76.524 10.861 -2.186 1.00 0.00 H new ATOM 0 HA ASP A 48 75.918 11.417 -4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.432 11.709 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.345 12.305 -4.817 1.00 0.00 H new ATOM 852 N ARG A 49 77.025 9.784 -6.347 1.00 0.00 N ATOM 853 CA ARG A 49 77.592 8.764 -7.215 1.00 0.00 C ATOM 854 C ARG A 49 77.766 9.287 -8.632 1.00 0.00 C ATOM 855 O ARG A 49 77.127 10.267 -9.029 1.00 0.00 O ATOM 856 CB ARG A 49 76.696 7.526 -7.232 1.00 0.00 C ATOM 857 CG ARG A 49 76.856 6.741 -5.930 1.00 0.00 C ATOM 858 CD ARG A 49 75.779 5.666 -5.839 1.00 0.00 C ATOM 859 NE ARG A 49 76.207 4.607 -4.933 1.00 0.00 N ATOM 860 CZ ARG A 49 75.502 3.491 -4.804 1.00 0.00 C ATOM 861 NH1 ARG A 49 74.403 3.334 -5.487 1.00 0.00 N ATOM 862 NH2 ARG A 49 75.912 2.548 -3.999 1.00 0.00 N ATOM 0 H ARG A 49 76.338 10.390 -6.795 1.00 0.00 H new ATOM 0 HA ARG A 49 78.572 8.496 -6.821 1.00 0.00 H new ATOM 0 HB2 ARG A 49 75.655 7.823 -7.361 1.00 0.00 H new ATOM 0 HB3 ARG A 49 76.954 6.893 -8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.844 6.283 -5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 49 76.783 7.415 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 49 74.846 6.104 -5.485 1.00 0.00 H new ATOM 0 HD3 ARG A 49 75.582 5.252 -6.828 1.00 0.00 H new ATOM 0 HE ARG A 49 77.062 4.726 -4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 49 74.086 4.069 -6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 49 73.860 2.476 -5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 49 76.775 2.669 -3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 49 75.369 1.690 -3.900 1.00 0.00 H new ATOM 876 N TRP A 50 78.642 8.635 -9.402 1.00 0.00 N ATOM 877 CA TRP A 50 78.876 9.074 -10.769 1.00 0.00 C ATOM 878 C TRP A 50 77.937 8.357 -11.749 1.00 0.00 C ATOM 879 O TRP A 50 77.713 7.161 -11.630 1.00 0.00 O ATOM 880 CB TRP A 50 80.322 8.814 -11.183 1.00 0.00 C ATOM 881 CG TRP A 50 81.224 9.632 -10.327 1.00 0.00 C ATOM 882 CD1 TRP A 50 81.574 9.335 -9.058 1.00 0.00 C ATOM 883 CD2 TRP A 50 81.899 10.881 -10.660 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.416 10.323 -8.585 1.00 0.00 N ATOM 885 CE2 TRP A 50 82.650 11.297 -9.537 1.00 0.00 C ATOM 886 CE3 TRP A 50 81.931 11.686 -11.813 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.407 12.465 -9.556 1.00 0.00 C ATOM 888 CZ3 TRP A 50 82.694 12.865 -11.835 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.432 13.252 -10.709 1.00 0.00 C ATOM 0 H TRP A 50 79.185 7.823 -9.107 1.00 0.00 H new ATOM 0 HA TRP A 50 78.677 10.145 -10.803 1.00 0.00 H new ATOM 0 HB2 TRP A 50 80.560 7.756 -11.077 1.00 0.00 H new ATOM 0 HB3 TRP A 50 80.465 9.069 -12.233 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.249 8.467 -8.503 1.00 0.00 H new ATOM 0 HE1 TRP A 50 82.816 10.332 -7.647 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.366 11.396 -12.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 83.972 12.761 -8.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 82.712 13.477 -12.725 1.00 0.00 H new ATOM 0 HH2 TRP A 50 84.020 14.158 -10.733 1.00 0.00 H new ATOM 900 N PRO A 51 77.386 9.044 -12.709 1.00 0.00 N ATOM 901 CA PRO A 51 76.436 8.433 -13.693 1.00 0.00 C ATOM 902 C PRO A 51 77.087 7.358 -14.559 1.00 0.00 C ATOM 903 O PRO A 51 76.432 6.393 -14.960 1.00 0.00 O ATOM 904 CB PRO A 51 76.010 9.620 -14.556 1.00 0.00 C ATOM 905 CG PRO A 51 77.094 10.629 -14.393 1.00 0.00 C ATOM 906 CD PRO A 51 77.612 10.464 -12.989 1.00 0.00 C ATOM 0 HA PRO A 51 75.611 7.926 -13.192 1.00 0.00 H new ATOM 0 HB2 PRO A 51 75.898 9.328 -15.600 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.049 10.018 -14.231 1.00 0.00 H new ATOM 0 HG2 PRO A 51 77.888 10.469 -15.122 1.00 0.00 H new ATOM 0 HG3 PRO A 51 76.714 11.638 -14.552 1.00 0.00 H new ATOM 0 HD2 PRO A 51 78.668 10.725 -12.917 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.077 11.102 -12.286 1.00 0.00 H new ATOM 914 N GLU A 52 78.366 7.534 -14.854 1.00 0.00 N ATOM 915 CA GLU A 52 79.079 6.585 -15.701 1.00 0.00 C ATOM 916 C GLU A 52 78.911 5.162 -15.181 1.00 0.00 C ATOM 917 O GLU A 52 78.591 4.254 -15.948 1.00 0.00 O ATOM 918 CB GLU A 52 80.566 6.929 -15.718 1.00 0.00 C ATOM 919 CG GLU A 52 80.793 8.202 -16.535 1.00 0.00 C ATOM 920 CD GLU A 52 82.265 8.604 -16.482 1.00 0.00 C ATOM 921 OE1 GLU A 52 82.690 9.076 -15.441 1.00 0.00 O ATOM 922 OE2 GLU A 52 82.941 8.431 -17.483 1.00 0.00 O ATOM 0 H GLU A 52 78.929 8.318 -14.524 1.00 0.00 H new ATOM 0 HA GLU A 52 78.665 6.648 -16.707 1.00 0.00 H new ATOM 0 HB2 GLU A 52 80.928 7.070 -14.700 1.00 0.00 H new ATOM 0 HB3 GLU A 52 81.135 6.104 -16.147 1.00 0.00 H new ATOM 0 HG2 GLU A 52 80.490 8.039 -17.569 1.00 0.00 H new ATOM 0 HG3 GLU A 52 80.173 9.009 -16.145 1.00 0.00 H new ATOM 929 N THR A 53 79.121 4.974 -13.888 1.00 0.00 N ATOM 930 CA THR A 53 78.981 3.653 -13.288 1.00 0.00 C ATOM 931 C THR A 53 78.020 3.687 -12.100 1.00 0.00 C ATOM 932 O THR A 53 77.249 2.751 -11.887 1.00 0.00 O ATOM 933 CB THR A 53 80.346 3.172 -12.822 1.00 0.00 C ATOM 934 OG1 THR A 53 81.094 4.296 -12.386 1.00 0.00 O ATOM 935 CG2 THR A 53 81.083 2.481 -13.968 1.00 0.00 C ATOM 0 H THR A 53 79.387 5.712 -13.236 1.00 0.00 H new ATOM 0 HA THR A 53 78.575 2.972 -14.036 1.00 0.00 H new ATOM 0 HB THR A 53 80.224 2.458 -12.007 1.00 0.00 H new ATOM 0 HG1 THR A 53 82.049 4.132 -12.535 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.059 2.142 -13.621 1.00 0.00 H new ATOM 0 HG22 THR A 53 80.502 1.625 -14.311 1.00 0.00 H new ATOM 0 HG23 THR A 53 81.215 3.183 -14.791 1.00 0.00 H new ATOM 943 N GLY A 54 78.077 4.763 -11.326 1.00 0.00 N ATOM 944 CA GLY A 54 77.210 4.885 -10.157 1.00 0.00 C ATOM 945 C GLY A 54 77.965 4.563 -8.876 1.00 0.00 C ATOM 946 O GLY A 54 77.361 4.278 -7.848 1.00 0.00 O ATOM 0 H GLY A 54 78.703 5.553 -11.481 1.00 0.00 H new ATOM 0 HA2 GLY A 54 76.810 5.897 -10.102 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.359 4.211 -10.260 1.00 0.00 H new ATOM 950 N TYR A 55 79.295 4.597 -8.937 1.00 0.00 N ATOM 951 CA TYR A 55 80.106 4.306 -7.763 1.00 0.00 C ATOM 952 C TYR A 55 80.127 5.498 -6.822 1.00 0.00 C ATOM 953 O TYR A 55 79.771 6.607 -7.220 1.00 0.00 O ATOM 954 CB TYR A 55 81.530 3.976 -8.190 1.00 0.00 C ATOM 955 CG TYR A 55 81.590 2.577 -8.745 1.00 0.00 C ATOM 956 CD1 TYR A 55 81.325 1.480 -7.930 1.00 0.00 C ATOM 957 CD2 TYR A 55 81.915 2.376 -10.089 1.00 0.00 C ATOM 958 CE1 TYR A 55 81.387 0.201 -8.456 1.00 0.00 C ATOM 959 CE2 TYR A 55 81.972 1.085 -10.618 1.00 0.00 C ATOM 960 CZ TYR A 55 81.709 -0.005 -9.798 1.00 0.00 C ATOM 961 OH TYR A 55 81.752 -1.285 -10.309 1.00 0.00 O ATOM 0 H TYR A 55 79.826 4.821 -9.778 1.00 0.00 H new ATOM 0 HA TYR A 55 79.670 3.452 -7.244 1.00 0.00 H new ATOM 0 HB2 TYR A 55 81.868 4.689 -8.942 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.204 4.068 -7.339 1.00 0.00 H new ATOM 0 HD1 TYR A 55 81.072 1.626 -6.890 1.00 0.00 H new ATOM 0 HD2 TYR A 55 82.124 3.225 -10.723 1.00 0.00 H new ATOM 0 HE1 TYR A 55 81.184 -0.648 -7.820 1.00 0.00 H new ATOM 0 HE2 TYR A 55 82.219 0.935 -11.659 1.00 0.00 H new ATOM 0 HH TYR A 55 82.442 -1.801 -9.842 1.00 0.00 H new ATOM 971 N VAL A 56 80.529 5.261 -5.576 1.00 0.00 N ATOM 972 CA VAL A 56 80.568 6.324 -4.576 1.00 0.00 C ATOM 973 C VAL A 56 81.632 7.358 -4.919 1.00 0.00 C ATOM 974 O VAL A 56 82.812 7.031 -5.048 1.00 0.00 O ATOM 975 CB VAL A 56 80.876 5.730 -3.203 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.922 6.838 -2.147 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.789 4.729 -2.824 1.00 0.00 C ATOM 0 H VAL A 56 80.831 4.348 -5.236 1.00 0.00 H new ATOM 0 HA VAL A 56 79.594 6.812 -4.563 1.00 0.00 H new ATOM 0 HB VAL A 56 81.844 5.231 -3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 56 81.142 6.403 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.699 7.557 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.957 7.344 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 56 80.010 4.306 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.824 5.235 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.756 3.930 -3.565 1.00 0.00 H new ATOM 987 N LYS A 57 81.207 8.611 -5.058 1.00 0.00 N ATOM 988 CA LYS A 57 82.136 9.687 -5.372 1.00 0.00 C ATOM 989 C LYS A 57 82.984 10.040 -4.155 1.00 0.00 C ATOM 990 O LYS A 57 84.211 10.092 -4.231 1.00 0.00 O ATOM 991 CB LYS A 57 81.360 10.924 -5.837 1.00 0.00 C ATOM 992 CG LYS A 57 82.322 12.104 -6.017 1.00 0.00 C ATOM 993 CD LYS A 57 81.582 13.277 -6.650 1.00 0.00 C ATOM 994 CE LYS A 57 82.471 14.523 -6.604 1.00 0.00 C ATOM 995 NZ LYS A 57 81.795 15.642 -7.316 1.00 0.00 N ATOM 0 H LYS A 57 80.235 8.902 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 57 82.797 9.350 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.850 10.712 -6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.591 11.178 -5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.735 12.400 -5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.162 11.809 -6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.320 13.042 -7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.649 13.463 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.669 14.803 -5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 57 83.435 14.312 -7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.399 16.488 -7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 81.627 15.372 -8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 80.886 15.848 -6.855 1.00 0.00 H new ATOM 1009 N LYS A 58 82.320 10.272 -3.029 1.00 0.00 N ATOM 1010 CA LYS A 58 83.025 10.616 -1.800 1.00 0.00 C ATOM 1011 C LYS A 58 82.303 10.034 -0.601 1.00 0.00 C ATOM 1012 O LYS A 58 81.083 9.880 -0.625 1.00 0.00 O ATOM 1013 CB LYS A 58 83.120 12.140 -1.650 1.00 0.00 C ATOM 1014 CG LYS A 58 81.716 12.746 -1.592 1.00 0.00 C ATOM 1015 CD LYS A 58 81.824 14.265 -1.447 1.00 0.00 C ATOM 1016 CE LYS A 58 80.421 14.871 -1.420 1.00 0.00 C ATOM 1017 NZ LYS A 58 80.519 16.349 -1.271 1.00 0.00 N ATOM 0 H LYS A 58 81.305 10.229 -2.941 1.00 0.00 H new ATOM 0 HA LYS A 58 84.030 10.198 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.672 12.391 -0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.674 12.563 -2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.162 12.494 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.162 12.328 -0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.359 14.517 -0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.396 14.681 -2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 58 79.889 14.622 -2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.847 14.449 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 79.564 16.760 -1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 81.011 16.577 -0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 81.051 16.744 -2.073 1.00 0.00 H new ATOM 1031 N LEU A 59 83.057 9.716 0.451 1.00 0.00 N ATOM 1032 CA LEU A 59 82.458 9.149 1.651 1.00 0.00 C ATOM 1033 C LEU A 59 83.223 9.591 2.897 1.00 0.00 C ATOM 1034 O LEU A 59 84.452 9.679 2.892 1.00 0.00 O ATOM 1035 CB LEU A 59 82.485 7.625 1.565 1.00 0.00 C ATOM 1036 CG LEU A 59 81.202 7.018 2.094 1.00 0.00 C ATOM 1037 CD1 LEU A 59 80.009 7.493 1.264 1.00 0.00 C ATOM 1038 CD2 LEU A 59 81.275 5.488 2.041 1.00 0.00 C ATOM 0 H LEU A 59 84.068 9.840 0.494 1.00 0.00 H new ATOM 0 HA LEU A 59 81.429 9.502 1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.633 7.320 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.332 7.242 2.134 1.00 0.00 H new ATOM 0 HG LEU A 59 81.074 7.338 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 59 79.094 7.049 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 59 79.937 8.579 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 59 80.144 7.190 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 59 80.346 5.066 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 59 81.422 5.166 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 59 82.109 5.142 2.651 1.00 0.00 H new ATOM 1050 N GLN A 60 82.482 9.868 3.962 1.00 0.00 N ATOM 1051 CA GLN A 60 83.092 10.303 5.210 1.00 0.00 C ATOM 1052 C GLN A 60 83.347 9.116 6.129 1.00 0.00 C ATOM 1053 O GLN A 60 82.488 8.265 6.303 1.00 0.00 O ATOM 1054 CB GLN A 60 82.182 11.306 5.919 1.00 0.00 C ATOM 1055 CG GLN A 60 82.959 11.993 7.047 1.00 0.00 C ATOM 1056 CD GLN A 60 81.985 12.566 8.072 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.974 11.938 8.387 1.00 0.00 O ATOM 1058 NE2 GLN A 60 82.233 13.723 8.623 1.00 0.00 N ATOM 0 H GLN A 60 81.465 9.800 3.987 1.00 0.00 H new ATOM 0 HA GLN A 60 84.044 10.778 4.974 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.819 12.049 5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.307 10.797 6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.628 11.279 7.527 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.582 12.789 6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 60 83.071 14.243 8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.589 14.107 9.315 1.00 0.00 H new ATOM 1067 N ARG A 61 84.531 9.065 6.706 1.00 0.00 N ATOM 1068 CA ARG A 61 84.886 7.970 7.603 1.00 0.00 C ATOM 1069 C ARG A 61 84.232 8.151 8.972 1.00 0.00 C ATOM 1070 O ARG A 61 83.666 9.197 9.274 1.00 0.00 O ATOM 1071 CB ARG A 61 86.401 7.888 7.772 1.00 0.00 C ATOM 1072 CG ARG A 61 87.065 7.830 6.393 1.00 0.00 C ATOM 1073 CD ARG A 61 88.296 6.915 6.440 1.00 0.00 C ATOM 1074 NE ARG A 61 88.872 6.769 5.108 1.00 0.00 N ATOM 1075 CZ ARG A 61 89.628 5.719 4.802 1.00 0.00 C ATOM 1076 NH1 ARG A 61 89.864 4.802 5.700 1.00 0.00 N ATOM 1077 NH2 ARG A 61 90.129 5.602 3.603 1.00 0.00 N ATOM 0 H ARG A 61 85.264 9.762 6.574 1.00 0.00 H new ATOM 0 HA ARG A 61 84.521 7.044 7.158 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.763 8.754 8.326 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.666 7.004 8.353 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.355 7.460 5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 61 87.358 8.832 6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 61 89.039 7.329 7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.015 5.937 6.831 1.00 0.00 H new ATOM 0 HE ARG A 61 88.692 7.482 4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 61 89.469 4.891 6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 61 90.444 3.996 5.466 1.00 0.00 H new ATOM 0 HH21 ARG A 61 89.941 6.316 2.900 1.00 0.00 H new ATOM 0 HH22 ARG A 61 90.709 4.796 3.369 1.00 0.00 H new ATOM 1091 N ARG A 62 84.326 7.117 9.792 1.00 0.00 N ATOM 1092 CA ARG A 62 83.754 7.166 11.136 1.00 0.00 C ATOM 1093 C ARG A 62 84.523 8.161 12.002 1.00 0.00 C ATOM 1094 O ARG A 62 84.116 8.481 13.118 1.00 0.00 O ATOM 1095 CB ARG A 62 83.793 5.787 11.793 1.00 0.00 C ATOM 1096 CG ARG A 62 82.844 5.759 12.999 1.00 0.00 C ATOM 1097 CD ARG A 62 81.617 4.907 12.673 1.00 0.00 C ATOM 1098 NE ARG A 62 81.974 3.493 12.687 1.00 0.00 N ATOM 1099 CZ ARG A 62 81.058 2.551 12.497 1.00 0.00 C ATOM 1100 NH1 ARG A 62 79.814 2.885 12.294 1.00 0.00 N ATOM 1101 NH2 ARG A 62 81.403 1.292 12.515 1.00 0.00 N ATOM 0 H ARG A 62 84.788 6.238 9.557 1.00 0.00 H new ATOM 0 HA ARG A 62 82.716 7.487 11.049 1.00 0.00 H new ATOM 0 HB2 ARG A 62 83.503 5.022 11.072 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.809 5.555 12.112 1.00 0.00 H new ATOM 0 HG2 ARG A 62 83.359 5.353 13.869 1.00 0.00 H new ATOM 0 HG3 ARG A 62 82.536 6.773 13.255 1.00 0.00 H new ATOM 0 HD2 ARG A 62 80.828 5.098 13.400 1.00 0.00 H new ATOM 0 HD3 ARG A 62 81.223 5.181 11.694 1.00 0.00 H new ATOM 0 HE ARG A 62 82.945 3.223 12.846 1.00 0.00 H new ATOM 0 HH11 ARG A 62 79.546 3.869 12.281 1.00 0.00 H new ATOM 0 HH12 ARG A 62 79.109 2.162 12.148 1.00 0.00 H new ATOM 0 HH21 ARG A 62 82.376 1.032 12.675 1.00 0.00 H new ATOM 0 HH22 ARG A 62 80.699 0.568 12.369 1.00 0.00 H new ATOM 1115 N ASP A 63 85.647 8.639 11.477 1.00 0.00 N ATOM 1116 CA ASP A 63 86.471 9.586 12.207 1.00 0.00 C ATOM 1117 C ASP A 63 86.190 11.008 11.765 1.00 0.00 C ATOM 1118 O ASP A 63 86.887 11.928 12.182 1.00 0.00 O ATOM 1119 CB ASP A 63 87.950 9.278 11.997 1.00 0.00 C ATOM 1120 CG ASP A 63 88.309 7.982 12.714 1.00 0.00 C ATOM 1121 OD1 ASP A 63 87.494 7.510 13.489 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.398 7.484 12.483 1.00 0.00 O ATOM 0 H ASP A 63 86.003 8.386 10.555 1.00 0.00 H new ATOM 0 HA ASP A 63 86.225 9.490 13.265 1.00 0.00 H new ATOM 0 HB2 ASP A 63 88.166 9.188 10.932 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.560 10.097 12.378 1.00 0.00 H new ATOM 1127 N ASN A 64 85.165 11.187 10.923 1.00 0.00 N ATOM 1128 CA ASN A 64 84.787 12.507 10.434 1.00 0.00 C ATOM 1129 C ASN A 64 85.717 12.943 9.313 1.00 0.00 C ATOM 1130 O ASN A 64 85.484 13.967 8.669 1.00 0.00 O ATOM 1131 CB ASN A 64 84.826 13.528 11.575 1.00 0.00 C ATOM 1132 CG ASN A 64 84.329 12.880 12.865 1.00 0.00 C ATOM 1133 OD1 ASN A 64 83.479 11.988 12.832 1.00 0.00 O ATOM 1134 ND2 ASN A 64 84.801 13.291 14.008 1.00 0.00 N ATOM 0 H ASN A 64 84.584 10.427 10.568 1.00 0.00 H new ATOM 0 HA ASN A 64 83.770 12.453 10.045 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.843 13.897 11.711 1.00 0.00 H new ATOM 0 HB3 ASN A 64 84.205 14.389 11.327 1.00 0.00 H new ATOM 0 HD21 ASN A 64 84.467 12.874 14.877 1.00 0.00 H new ATOM 0 HD22 ASN A 64 85.504 14.029 14.034 1.00 0.00 H new ATOM 1141 N THR A 65 86.759 12.159 9.070 1.00 0.00 N ATOM 1142 CA THR A 65 87.704 12.481 8.014 1.00 0.00 C ATOM 1143 C THR A 65 87.095 12.169 6.656 1.00 0.00 C ATOM 1144 O THR A 65 86.642 11.050 6.412 1.00 0.00 O ATOM 1145 CB THR A 65 88.989 11.669 8.202 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.655 10.307 8.441 1.00 0.00 O ATOM 1147 CG2 THR A 65 89.774 12.224 9.386 1.00 0.00 C ATOM 0 H THR A 65 86.969 11.304 9.585 1.00 0.00 H new ATOM 0 HA THR A 65 87.939 13.544 8.062 1.00 0.00 H new ATOM 0 HB THR A 65 89.601 11.738 7.303 1.00 0.00 H new ATOM 0 HG1 THR A 65 89.476 9.785 8.560 1.00 0.00 H new ATOM 0 HG21 THR A 65 90.688 11.646 9.519 1.00 0.00 H new ATOM 0 HG22 THR A 65 90.028 13.267 9.197 1.00 0.00 H new ATOM 0 HG23 THR A 65 89.167 12.156 10.289 1.00 0.00 H new ATOM 1155 N PHE A 66 87.078 13.161 5.775 1.00 0.00 N ATOM 1156 CA PHE A 66 86.509 12.977 4.444 1.00 0.00 C ATOM 1157 C PHE A 66 87.450 12.161 3.567 1.00 0.00 C ATOM 1158 O PHE A 66 88.636 12.475 3.461 1.00 0.00 O ATOM 1159 CB PHE A 66 86.261 14.337 3.790 1.00 0.00 C ATOM 1160 CG PHE A 66 85.128 15.042 4.500 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.802 14.734 4.177 1.00 0.00 C ATOM 1162 CD2 PHE A 66 85.406 16.002 5.481 1.00 0.00 C ATOM 1163 CE1 PHE A 66 82.752 15.384 4.836 1.00 0.00 C ATOM 1164 CE2 PHE A 66 84.356 16.652 6.140 1.00 0.00 C ATOM 1165 CZ PHE A 66 83.029 16.344 5.817 1.00 0.00 C ATOM 0 H PHE A 66 87.448 14.094 5.955 1.00 0.00 H new ATOM 0 HA PHE A 66 85.565 12.441 4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 66 87.165 14.944 3.835 1.00 0.00 H new ATOM 0 HB3 PHE A 66 86.017 14.206 2.736 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.589 13.995 3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 66 86.430 16.241 5.729 1.00 0.00 H new ATOM 0 HE1 PHE A 66 81.728 15.145 4.588 1.00 0.00 H new ATOM 0 HE2 PHE A 66 84.570 17.391 6.898 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.219 16.847 6.324 1.00 0.00 H new ATOM 1175 N PHE A 67 86.915 11.112 2.941 1.00 0.00 N ATOM 1176 CA PHE A 67 87.720 10.257 2.076 1.00 0.00 C ATOM 1177 C PHE A 67 87.091 10.179 0.690 1.00 0.00 C ATOM 1178 O PHE A 67 85.977 9.680 0.527 1.00 0.00 O ATOM 1179 CB PHE A 67 87.817 8.853 2.678 1.00 0.00 C ATOM 1180 CG PHE A 67 88.944 8.103 2.011 1.00 0.00 C ATOM 1181 CD1 PHE A 67 90.260 8.280 2.459 1.00 0.00 C ATOM 1182 CD2 PHE A 67 88.678 7.233 0.948 1.00 0.00 C ATOM 1183 CE1 PHE A 67 91.309 7.585 1.845 1.00 0.00 C ATOM 1184 CE2 PHE A 67 89.727 6.539 0.332 1.00 0.00 C ATOM 1185 CZ PHE A 67 91.043 6.715 0.781 1.00 0.00 C ATOM 0 H PHE A 67 85.936 10.838 3.017 1.00 0.00 H new ATOM 0 HA PHE A 67 88.720 10.681 1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.992 8.916 3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.877 8.319 2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 67 90.465 8.953 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 67 87.664 7.097 0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 67 92.323 7.720 2.192 1.00 0.00 H new ATOM 0 HE2 PHE A 67 89.522 5.868 -0.489 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.852 6.179 0.306 1.00 0.00 H new ATOM 1195 N TYR A 68 87.810 10.679 -0.308 1.00 0.00 N ATOM 1196 CA TYR A 68 87.312 10.667 -1.676 1.00 0.00 C ATOM 1197 C TYR A 68 87.544 9.302 -2.314 1.00 0.00 C ATOM 1198 O TYR A 68 88.566 8.661 -2.070 1.00 0.00 O ATOM 1199 CB TYR A 68 88.022 11.741 -2.500 1.00 0.00 C ATOM 1200 CG TYR A 68 87.619 13.109 -2.001 1.00 0.00 C ATOM 1201 CD1 TYR A 68 86.482 13.738 -2.523 1.00 0.00 C ATOM 1202 CD2 TYR A 68 88.381 13.747 -1.015 1.00 0.00 C ATOM 1203 CE1 TYR A 68 86.108 15.005 -2.059 1.00 0.00 C ATOM 1204 CE2 TYR A 68 88.008 15.015 -0.551 1.00 0.00 C ATOM 1205 CZ TYR A 68 86.871 15.642 -1.073 1.00 0.00 C ATOM 1206 OH TYR A 68 86.502 16.892 -0.616 1.00 0.00 O ATOM 0 H TYR A 68 88.734 11.095 -0.196 1.00 0.00 H new ATOM 0 HA TYR A 68 86.242 10.873 -1.656 1.00 0.00 H new ATOM 0 HB2 TYR A 68 89.102 11.618 -2.423 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.763 11.636 -3.554 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.894 13.246 -3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.257 13.261 -0.612 1.00 0.00 H new ATOM 0 HE1 TYR A 68 85.231 15.491 -2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.597 15.508 0.208 1.00 0.00 H new ATOM 0 HH TYR A 68 87.137 17.191 0.068 1.00 0.00 H new ATOM 1216 N TYR A 69 86.589 8.871 -3.138 1.00 0.00 N ATOM 1217 CA TYR A 69 86.688 7.583 -3.820 1.00 0.00 C ATOM 1218 C TYR A 69 86.727 7.774 -5.328 1.00 0.00 C ATOM 1219 O TYR A 69 86.213 8.760 -5.855 1.00 0.00 O ATOM 1220 CB TYR A 69 85.498 6.696 -3.449 1.00 0.00 C ATOM 1221 CG TYR A 69 85.732 6.082 -2.091 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.688 5.072 -1.938 1.00 0.00 C ATOM 1223 CD2 TYR A 69 84.994 6.509 -0.989 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.905 4.492 -0.682 1.00 0.00 C ATOM 1225 CE2 TYR A 69 85.213 5.924 0.268 1.00 0.00 C ATOM 1226 CZ TYR A 69 86.168 4.919 0.419 1.00 0.00 C ATOM 1227 OH TYR A 69 86.376 4.353 1.661 1.00 0.00 O ATOM 0 H TYR A 69 85.740 9.395 -3.348 1.00 0.00 H new ATOM 0 HA TYR A 69 87.612 7.101 -3.502 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.581 7.285 -3.440 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.367 5.913 -4.196 1.00 0.00 H new ATOM 0 HD1 TYR A 69 87.260 4.739 -2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.255 7.288 -1.102 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.644 3.713 -0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.640 6.254 1.122 1.00 0.00 H new ATOM 0 HH TYR A 69 85.621 3.769 1.885 1.00 0.00 H new ATOM 1237 N ASN A 70 87.344 6.821 -6.023 1.00 0.00 N ATOM 1238 CA ASN A 70 87.446 6.898 -7.473 1.00 0.00 C ATOM 1239 C ASN A 70 86.336 6.076 -8.119 1.00 0.00 C ATOM 1240 O ASN A 70 86.162 4.895 -7.812 1.00 0.00 O ATOM 1241 CB ASN A 70 88.812 6.378 -7.932 1.00 0.00 C ATOM 1242 CG ASN A 70 88.680 4.948 -8.444 1.00 0.00 C ATOM 1243 OD1 ASN A 70 88.425 4.739 -9.623 1.00 0.00 O ATOM 1244 ND2 ASN A 70 88.832 3.949 -7.622 1.00 0.00 N ATOM 0 H ASN A 70 87.776 5.995 -5.608 1.00 0.00 H new ATOM 0 HA ASN A 70 87.341 7.939 -7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.209 7.020 -8.719 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.520 6.413 -7.104 1.00 0.00 H new ATOM 0 HD21 ASN A 70 88.739 2.991 -7.960 1.00 0.00 H new ATOM 0 HD22 ASN A 70 89.044 4.124 -6.640 1.00 0.00 H new ATOM 1251 N LYS A 71 85.582 6.702 -9.008 1.00 0.00 N ATOM 1252 CA LYS A 71 84.493 6.011 -9.672 1.00 0.00 C ATOM 1253 C LYS A 71 85.010 4.777 -10.418 1.00 0.00 C ATOM 1254 O LYS A 71 84.272 3.837 -10.685 1.00 0.00 O ATOM 1255 CB LYS A 71 83.797 6.957 -10.662 1.00 0.00 C ATOM 1256 CG LYS A 71 84.768 7.363 -11.788 1.00 0.00 C ATOM 1257 CD LYS A 71 84.002 7.525 -13.095 1.00 0.00 C ATOM 1258 CE LYS A 71 84.983 7.926 -14.198 1.00 0.00 C ATOM 1259 NZ LYS A 71 84.468 7.449 -15.509 1.00 0.00 N ATOM 0 H LYS A 71 85.703 7.677 -9.283 1.00 0.00 H new ATOM 0 HA LYS A 71 83.779 5.689 -8.914 1.00 0.00 H new ATOM 0 HB2 LYS A 71 82.920 6.468 -11.087 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.444 7.846 -10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.268 8.297 -11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 71 85.544 6.606 -11.902 1.00 0.00 H new ATOM 0 HD2 LYS A 71 83.501 6.593 -13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.227 8.283 -12.986 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.107 9.009 -14.215 1.00 0.00 H new ATOM 0 HE3 LYS A 71 85.965 7.496 -14.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 85.238 6.994 -16.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 83.703 6.762 -15.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 84.103 8.257 -16.053 1.00 0.00 H new ATOM 1273 N GLU A 72 86.285 4.811 -10.775 1.00 0.00 N ATOM 1274 CA GLU A 72 86.882 3.717 -11.515 1.00 0.00 C ATOM 1275 C GLU A 72 87.080 2.525 -10.600 1.00 0.00 C ATOM 1276 O GLU A 72 87.216 2.669 -9.388 1.00 0.00 O ATOM 1277 CB GLU A 72 88.223 4.153 -12.116 1.00 0.00 C ATOM 1278 CG GLU A 72 88.230 3.883 -13.622 1.00 0.00 C ATOM 1279 CD GLU A 72 89.572 4.299 -14.216 1.00 0.00 C ATOM 1280 OE1 GLU A 72 90.584 3.799 -13.751 1.00 0.00 O ATOM 1281 OE2 GLU A 72 89.569 5.112 -15.126 1.00 0.00 O ATOM 0 H GLU A 72 86.920 5.581 -10.564 1.00 0.00 H new ATOM 0 HA GLU A 72 86.214 3.432 -12.328 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.389 5.214 -11.927 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.039 3.612 -11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.050 2.825 -13.812 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.422 4.435 -14.103 1.00 0.00 H new ATOM 1288 N ARG A 73 87.103 1.351 -11.192 1.00 0.00 N ATOM 1289 CA ARG A 73 87.298 0.135 -10.416 1.00 0.00 C ATOM 1290 C ARG A 73 88.593 0.228 -9.614 1.00 0.00 C ATOM 1291 O ARG A 73 89.649 0.548 -10.163 1.00 0.00 O ATOM 1292 CB ARG A 73 87.351 -1.087 -11.351 1.00 0.00 C ATOM 1293 CG ARG A 73 88.059 -2.283 -10.668 1.00 0.00 C ATOM 1294 CD ARG A 73 87.097 -3.008 -9.754 1.00 0.00 C ATOM 1295 NE ARG A 73 86.941 -4.385 -10.222 1.00 0.00 N ATOM 1296 CZ ARG A 73 87.980 -5.201 -10.336 1.00 0.00 C ATOM 1297 NH1 ARG A 73 89.175 -4.772 -10.055 1.00 0.00 N ATOM 1298 NH2 ARG A 73 87.804 -6.423 -10.751 1.00 0.00 N ATOM 0 H ARG A 73 86.991 1.207 -12.196 1.00 0.00 H new ATOM 0 HA ARG A 73 86.460 0.020 -9.728 1.00 0.00 H new ATOM 0 HB2 ARG A 73 86.339 -1.374 -11.636 1.00 0.00 H new ATOM 0 HB3 ARG A 73 87.878 -0.824 -12.268 1.00 0.00 H new ATOM 0 HG2 ARG A 73 88.440 -2.969 -11.424 1.00 0.00 H new ATOM 0 HG3 ARG A 73 88.917 -1.929 -10.097 1.00 0.00 H new ATOM 0 HD2 ARG A 73 87.471 -2.998 -8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 73 86.132 -2.502 -9.746 1.00 0.00 H new ATOM 0 HE ARG A 73 86.011 -4.726 -10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 73 89.312 -3.809 -9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 73 89.975 -5.398 -10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 73 86.868 -6.751 -10.988 1.00 0.00 H new ATOM 0 HH22 ARG A 73 88.602 -7.052 -10.839 1.00 0.00 H new ATOM 1312 N GLU A 74 88.503 -0.082 -8.322 1.00 0.00 N ATOM 1313 CA GLU A 74 89.673 -0.059 -7.450 1.00 0.00 C ATOM 1314 C GLU A 74 89.825 -1.374 -6.687 1.00 0.00 C ATOM 1315 O GLU A 74 90.927 -1.748 -6.288 1.00 0.00 O ATOM 1316 CB GLU A 74 89.544 1.083 -6.454 1.00 0.00 C ATOM 1317 CG GLU A 74 88.063 1.336 -6.167 1.00 0.00 C ATOM 1318 CD GLU A 74 87.910 2.108 -4.860 1.00 0.00 C ATOM 1319 OE1 GLU A 74 88.423 1.639 -3.857 1.00 0.00 O ATOM 1320 OE2 GLU A 74 87.281 3.150 -4.883 1.00 0.00 O ATOM 0 H GLU A 74 87.635 -0.351 -7.858 1.00 0.00 H new ATOM 0 HA GLU A 74 90.555 0.082 -8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 74 90.069 0.837 -5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 74 90.008 1.984 -6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 74 87.616 1.899 -6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 74 87.529 0.388 -6.104 1.00 0.00 H new ATOM 1327 N CYS A 75 88.711 -2.077 -6.489 1.00 0.00 N ATOM 1328 CA CYS A 75 88.741 -3.349 -5.771 1.00 0.00 C ATOM 1329 C CYS A 75 89.190 -4.485 -6.681 1.00 0.00 C ATOM 1330 O CYS A 75 88.694 -4.637 -7.783 1.00 0.00 O ATOM 1331 CB CYS A 75 87.353 -3.650 -5.210 1.00 0.00 C ATOM 1332 SG CYS A 75 87.084 -2.647 -3.726 1.00 0.00 S ATOM 0 H CYS A 75 87.787 -1.791 -6.812 1.00 0.00 H new ATOM 0 HA CYS A 75 89.459 -3.267 -4.955 1.00 0.00 H new ATOM 0 HB2 CYS A 75 86.590 -3.430 -5.956 1.00 0.00 H new ATOM 0 HB3 CYS A 75 87.266 -4.709 -4.969 1.00 0.00 H new ATOM 0 HG CYS A 75 88.066 -2.830 -2.894 1.00 0.00 H new ATOM 1338 N GLU A 76 90.128 -5.285 -6.199 1.00 0.00 N ATOM 1339 CA GLU A 76 90.642 -6.411 -6.978 1.00 0.00 C ATOM 1340 C GLU A 76 90.240 -7.738 -6.345 1.00 0.00 C ATOM 1341 O GLU A 76 89.790 -7.777 -5.203 1.00 0.00 O ATOM 1342 CB GLU A 76 92.165 -6.321 -7.065 1.00 0.00 C ATOM 1343 CG GLU A 76 92.567 -5.354 -8.182 1.00 0.00 C ATOM 1344 CD GLU A 76 92.399 -6.027 -9.539 1.00 0.00 C ATOM 1345 OE1 GLU A 76 93.084 -7.007 -9.780 1.00 0.00 O ATOM 1346 OE2 GLU A 76 91.592 -5.553 -10.320 1.00 0.00 O ATOM 0 H GLU A 76 90.550 -5.180 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 76 90.213 -6.364 -7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 76 92.573 -5.981 -6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 76 92.586 -7.308 -7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 76 91.953 -4.455 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.602 -5.041 -8.048 1.00 0.00 H new ATOM 1353 N ASP A 77 90.385 -8.814 -7.104 1.00 0.00 N ATOM 1354 CA ASP A 77 90.016 -10.139 -6.618 1.00 0.00 C ATOM 1355 C ASP A 77 90.608 -10.368 -5.229 1.00 0.00 C ATOM 1356 O ASP A 77 90.007 -11.040 -4.379 1.00 0.00 O ATOM 1357 CB ASP A 77 90.539 -11.205 -7.583 1.00 0.00 C ATOM 1358 CG ASP A 77 89.650 -11.281 -8.819 1.00 0.00 C ATOM 1359 OD1 ASP A 77 88.698 -12.043 -8.793 1.00 0.00 O ATOM 1360 OD2 ASP A 77 89.935 -10.577 -9.775 1.00 0.00 O ATOM 0 H ASP A 77 90.754 -8.798 -8.055 1.00 0.00 H new ATOM 0 HA ASP A 77 88.930 -10.207 -6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 77 91.562 -10.969 -7.876 1.00 0.00 H new ATOM 0 HB3 ASP A 77 90.565 -12.174 -7.085 1.00 0.00 H new ATOM 1365 N LYS A 78 91.781 -9.801 -4.998 1.00 0.00 N ATOM 1366 CA LYS A 78 92.432 -9.937 -3.705 1.00 0.00 C ATOM 1367 C LYS A 78 91.577 -9.312 -2.604 1.00 0.00 C ATOM 1368 O LYS A 78 91.614 -9.736 -1.454 1.00 0.00 O ATOM 1369 CB LYS A 78 93.803 -9.259 -3.733 1.00 0.00 C ATOM 1370 CG LYS A 78 93.654 -7.789 -4.159 1.00 0.00 C ATOM 1371 CD LYS A 78 94.385 -6.879 -3.169 1.00 0.00 C ATOM 1372 CE LYS A 78 94.572 -5.497 -3.789 1.00 0.00 C ATOM 1373 NZ LYS A 78 95.635 -5.566 -4.830 1.00 0.00 N ATOM 0 H LYS A 78 92.298 -9.247 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 78 92.557 -10.999 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 78 94.266 -9.316 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 78 94.462 -9.782 -4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 78 94.060 -7.650 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 78 92.599 -7.520 -4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 78 93.815 -6.800 -2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 78 95.354 -7.308 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 78 93.636 -5.154 -4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 78 94.846 -4.775 -3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 96.040 -4.619 -4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 96.383 -6.218 -4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 95.225 -5.909 -5.722 1.00 0.00 H new ATOM 1387 N GLU A 79 90.789 -8.301 -2.963 1.00 0.00 N ATOM 1388 CA GLU A 79 89.942 -7.639 -1.994 1.00 0.00 C ATOM 1389 C GLU A 79 88.671 -8.437 -1.788 1.00 0.00 C ATOM 1390 O GLU A 79 88.098 -8.425 -0.709 1.00 0.00 O ATOM 1391 CB GLU A 79 89.604 -6.217 -2.478 1.00 0.00 C ATOM 1392 CG GLU A 79 90.885 -5.379 -2.540 1.00 0.00 C ATOM 1393 CD GLU A 79 90.532 -3.903 -2.651 1.00 0.00 C ATOM 1394 OE1 GLU A 79 89.354 -3.595 -2.641 1.00 0.00 O ATOM 1395 OE2 GLU A 79 91.446 -3.099 -2.735 1.00 0.00 O ATOM 0 H GLU A 79 90.724 -7.930 -3.911 1.00 0.00 H new ATOM 0 HA GLU A 79 90.472 -7.571 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.136 -6.258 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.886 -5.753 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 79 91.487 -5.552 -1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 79 91.488 -5.683 -3.395 1.00 0.00 H new ATOM 1402 N VAL A 80 88.230 -9.142 -2.817 1.00 0.00 N ATOM 1403 CA VAL A 80 87.020 -9.937 -2.697 1.00 0.00 C ATOM 1404 C VAL A 80 87.174 -10.920 -1.544 1.00 0.00 C ATOM 1405 O VAL A 80 86.279 -11.053 -0.705 1.00 0.00 O ATOM 1406 CB VAL A 80 86.789 -10.703 -4.000 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.652 -11.705 -3.826 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.428 -9.715 -5.116 1.00 0.00 C ATOM 0 H VAL A 80 88.683 -9.180 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 80 86.168 -9.285 -2.504 1.00 0.00 H new ATOM 0 HB VAL A 80 87.701 -11.240 -4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 80 85.496 -12.245 -4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.908 -12.412 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.738 -11.175 -3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 80 86.263 -10.260 -6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.520 -9.176 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 80 87.244 -9.005 -5.252 1.00 0.00 H new ATOM 1418 N HIS A 81 88.307 -11.606 -1.511 1.00 0.00 N ATOM 1419 CA HIS A 81 88.563 -12.571 -0.442 1.00 0.00 C ATOM 1420 C HIS A 81 88.662 -11.868 0.908 1.00 0.00 C ATOM 1421 O HIS A 81 88.119 -12.340 1.907 1.00 0.00 O ATOM 1422 CB HIS A 81 89.860 -13.328 -0.711 1.00 0.00 C ATOM 1423 CG HIS A 81 90.051 -14.396 0.334 1.00 0.00 C ATOM 1424 ND1 HIS A 81 90.736 -14.162 1.518 1.00 0.00 N ATOM 1425 CD2 HIS A 81 89.656 -15.709 0.386 1.00 0.00 C ATOM 1426 CE1 HIS A 81 90.730 -15.308 2.223 1.00 0.00 C ATOM 1427 NE2 HIS A 81 90.084 -16.284 1.579 1.00 0.00 N ATOM 0 H HIS A 81 89.055 -11.518 -2.198 1.00 0.00 H new ATOM 0 HA HIS A 81 87.730 -13.274 -0.417 1.00 0.00 H new ATOM 0 HB2 HIS A 81 89.831 -13.778 -1.703 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.704 -12.638 -0.699 1.00 0.00 H new ATOM 0 HD2 HIS A 81 89.097 -16.220 -0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 81 91.192 -15.425 3.192 1.00 0.00 H new ATOM 0 HE2 HIS A 81 89.936 -17.243 1.894 1.00 0.00 H new ATOM 1435 N LYS A 82 89.358 -10.734 0.935 1.00 0.00 N ATOM 1436 CA LYS A 82 89.516 -9.973 2.169 1.00 0.00 C ATOM 1437 C LYS A 82 88.231 -9.230 2.529 1.00 0.00 C ATOM 1438 O LYS A 82 87.996 -8.908 3.692 1.00 0.00 O ATOM 1439 CB LYS A 82 90.654 -8.969 2.018 1.00 0.00 C ATOM 1440 CG LYS A 82 91.973 -9.714 1.792 1.00 0.00 C ATOM 1441 CD LYS A 82 93.125 -8.949 2.445 1.00 0.00 C ATOM 1442 CE LYS A 82 93.285 -7.586 1.764 1.00 0.00 C ATOM 1443 NZ LYS A 82 94.421 -6.855 2.392 1.00 0.00 N ATOM 0 H LYS A 82 89.818 -10.325 0.122 1.00 0.00 H new ATOM 0 HA LYS A 82 89.746 -10.676 2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.454 -8.301 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 82 90.724 -8.348 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.909 -10.718 2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.159 -9.825 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.930 -8.815 3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.049 -9.520 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 82 93.467 -7.718 0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.366 -7.007 1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.534 -5.929 1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 94.228 -6.718 3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 95.295 -7.407 2.277 1.00 0.00 H new ATOM 1457 N VAL A 83 87.416 -8.951 1.525 1.00 0.00 N ATOM 1458 CA VAL A 83 86.161 -8.234 1.733 1.00 0.00 C ATOM 1459 C VAL A 83 85.041 -9.177 2.162 1.00 0.00 C ATOM 1460 O VAL A 83 84.804 -10.220 1.539 1.00 0.00 O ATOM 1461 CB VAL A 83 85.751 -7.520 0.449 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.342 -6.948 0.609 1.00 0.00 C ATOM 1463 CG2 VAL A 83 86.720 -6.374 0.168 1.00 0.00 C ATOM 0 H VAL A 83 87.598 -9.209 0.555 1.00 0.00 H new ATOM 0 HA VAL A 83 86.324 -7.508 2.529 1.00 0.00 H new ATOM 0 HB VAL A 83 85.771 -8.231 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.050 -6.438 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.642 -7.758 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.329 -6.240 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.425 -5.865 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 83 86.698 -5.667 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.729 -6.770 0.055 1.00 0.00 H new ATOM 1473 N LYS A 84 84.344 -8.793 3.228 1.00 0.00 N ATOM 1474 CA LYS A 84 83.242 -9.599 3.735 1.00 0.00 C ATOM 1475 C LYS A 84 81.917 -8.904 3.462 1.00 0.00 C ATOM 1476 O LYS A 84 81.830 -7.676 3.529 1.00 0.00 O ATOM 1477 CB LYS A 84 83.406 -9.836 5.239 1.00 0.00 C ATOM 1478 CG LYS A 84 83.466 -8.495 5.961 1.00 0.00 C ATOM 1479 CD LYS A 84 83.713 -8.738 7.450 1.00 0.00 C ATOM 1480 CE LYS A 84 83.221 -7.534 8.250 1.00 0.00 C ATOM 1481 NZ LYS A 84 83.970 -6.314 7.835 1.00 0.00 N ATOM 0 H LYS A 84 84.522 -7.936 3.752 1.00 0.00 H new ATOM 0 HA LYS A 84 83.250 -10.562 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 84 82.573 -10.428 5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 84 84.315 -10.406 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 84 84.262 -7.879 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 84 82.533 -7.950 5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 84 83.194 -9.640 7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 84 84.776 -8.900 7.632 1.00 0.00 H new ATOM 0 HE2 LYS A 84 82.153 -7.389 8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 84 83.360 -7.712 9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 83.797 -5.551 8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 84.988 -6.526 7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 83.648 -6.013 6.893 1.00 0.00 H new ATOM 1495 N VAL A 85 80.894 -9.690 3.134 1.00 0.00 N ATOM 1496 CA VAL A 85 79.585 -9.126 2.830 1.00 0.00 C ATOM 1497 C VAL A 85 78.597 -9.413 3.957 1.00 0.00 C ATOM 1498 O VAL A 85 78.378 -10.565 4.327 1.00 0.00 O ATOM 1499 CB VAL A 85 79.054 -9.722 1.524 1.00 0.00 C ATOM 1500 CG1 VAL A 85 77.963 -8.821 0.931 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.200 -9.859 0.517 1.00 0.00 C ATOM 0 H VAL A 85 80.946 -10.707 3.073 1.00 0.00 H new ATOM 0 HA VAL A 85 79.693 -8.046 2.725 1.00 0.00 H new ATOM 0 HB VAL A 85 78.629 -10.703 1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.595 -9.258 0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.140 -8.731 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.377 -7.833 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 85 79.819 -10.284 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.629 -8.877 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 85 80.968 -10.514 0.927 1.00 0.00 H new ATOM 1511 N TYR A 86 77.998 -8.356 4.492 1.00 0.00 N ATOM 1512 CA TYR A 86 77.032 -8.507 5.572 1.00 0.00 C ATOM 1513 C TYR A 86 75.621 -8.681 5.018 1.00 0.00 C ATOM 1514 O TYR A 86 75.281 -8.120 3.980 1.00 0.00 O ATOM 1515 CB TYR A 86 77.079 -7.284 6.492 1.00 0.00 C ATOM 1516 CG TYR A 86 76.110 -6.237 5.990 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.173 -5.804 4.664 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.145 -5.712 6.850 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.269 -4.845 4.199 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.238 -4.756 6.388 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.300 -4.319 5.063 1.00 0.00 C ATOM 1522 OH TYR A 86 73.408 -3.372 4.605 1.00 0.00 O ATOM 0 H TYR A 86 78.162 -7.393 4.199 1.00 0.00 H new ATOM 0 HA TYR A 86 77.293 -9.399 6.142 1.00 0.00 H new ATOM 0 HB2 TYR A 86 76.823 -7.573 7.511 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.089 -6.876 6.520 1.00 0.00 H new ATOM 0 HD1 TYR A 86 76.920 -6.210 3.998 1.00 0.00 H new ATOM 0 HD2 TYR A 86 75.099 -6.046 7.876 1.00 0.00 H new ATOM 0 HE1 TYR A 86 75.318 -4.509 3.174 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.489 -4.355 7.055 1.00 0.00 H new ATOM 0 HH TYR A 86 72.803 -3.114 5.332 1.00 0.00 H new ATOM 1532 N VAL A 87 74.805 -9.463 5.720 1.00 0.00 N ATOM 1533 CA VAL A 87 73.429 -9.693 5.294 1.00 0.00 C ATOM 1534 C VAL A 87 72.463 -9.417 6.443 1.00 0.00 C ATOM 1535 O VAL A 87 72.627 -9.936 7.548 1.00 0.00 O ATOM 1536 CB VAL A 87 73.264 -11.133 4.805 1.00 0.00 C ATOM 1537 CG1 VAL A 87 73.882 -11.273 3.412 1.00 0.00 C ATOM 1538 CG2 VAL A 87 73.976 -12.083 5.769 1.00 0.00 C ATOM 0 H VAL A 87 75.070 -9.944 6.579 1.00 0.00 H new ATOM 0 HA VAL A 87 73.200 -9.012 4.474 1.00 0.00 H new ATOM 0 HB VAL A 87 72.204 -11.381 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 87 73.765 -12.299 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 87 73.380 -10.595 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 87 74.942 -11.024 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 87 73.859 -13.109 5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.036 -11.833 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 87 73.541 -11.985 6.764 1.00 0.00 H new ATOM 1548 N TYR A 88 71.455 -8.596 6.175 1.00 0.00 N ATOM 1549 CA TYR A 88 70.467 -8.261 7.195 1.00 0.00 C ATOM 1550 C TYR A 88 69.150 -8.981 6.922 1.00 0.00 C ATOM 1551 O TYR A 88 68.201 -8.733 7.644 1.00 0.00 O ATOM 1552 CB TYR A 88 70.232 -6.752 7.217 1.00 0.00 C ATOM 1553 CG TYR A 88 69.530 -6.332 5.951 1.00 0.00 C ATOM 1554 CD1 TYR A 88 70.275 -6.047 4.800 1.00 0.00 C ATOM 1555 CD2 TYR A 88 68.134 -6.228 5.925 1.00 0.00 C ATOM 1556 CE1 TYR A 88 69.624 -5.658 3.623 1.00 0.00 C ATOM 1557 CE2 TYR A 88 67.482 -5.841 4.748 1.00 0.00 C ATOM 1558 CZ TYR A 88 68.227 -5.555 3.597 1.00 0.00 C ATOM 1559 OH TYR A 88 67.586 -5.171 2.436 1.00 0.00 O ATOM 1560 OXT TYR A 88 69.114 -9.775 5.995 1.00 0.00 O ATOM 0 H TYR A 88 71.300 -8.153 5.269 1.00 0.00 H new ATOM 0 HA TYR A 88 70.849 -8.582 8.164 1.00 0.00 H new ATOM 0 HB2 TYR A 88 69.632 -6.480 8.085 1.00 0.00 H new ATOM 0 HB3 TYR A 88 71.183 -6.227 7.309 1.00 0.00 H new ATOM 0 HD1 TYR A 88 71.352 -6.127 4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 88 67.560 -6.446 6.813 1.00 0.00 H new ATOM 0 HE1 TYR A 88 70.199 -5.437 2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 88 66.405 -5.763 4.728 1.00 0.00 H new ATOM 0 HH TYR A 88 66.618 -5.151 2.588 1.00 0.00 H new TER 1570 TYR A 88