USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=30 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 28 GLN : amide:sc= 0.364 K(o=0.71,f=-2.2) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 156:sc= 0.343 (180deg=-0.317) USER MOD Set 2.1: A 29 GLN : amide:sc= -3.45! C(o=-6.3!,f=-6.5!) USER MOD Set 2.2: A 69 TYR OH : rot -98:sc= -2.87! USER MOD Set 3.1: A 42 LYS NZ :NH3+ -119:sc= -1.22 (180deg=-3.77!) USER MOD Set 3.2: A 60 GLN : amide:sc= -0.528 K(o=-1.7,f=-20!) USER MOD Set 4.1: A 3 THR OG1 : rot 8:sc= 0.29 USER MOD Set 4.2: A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 140:sc= 0.552 (180deg=-0.00469) USER MOD Single : A -1 HIS : no HD1:sc= 0.272 K(o=0.27,f=-1.7!) 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 -13:sc= 0.901 USER MOD Single : A 12 SER OG : rot 180:sc= -0.31 USER MOD Single : A 15 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0672) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0505 USER MOD Single : A 23 ASN :FLIP amide:sc= -1.72! C(o=-2.8!,f=-1.7!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 111:sc= 0.845 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -144:sc= -0.422 (180deg=-1.8!) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.752! C(o=-2.2!,f=-0.75!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 114:sc= 1.05 USER MOD Single : A 55 TYR OH : rot -115:sc= 2.09 USER MOD Single : A 57 LYS NZ :NH3+ 137:sc= -0.791 (180deg=-1.55) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.0722 (180deg=-0.537) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.674 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -4.42! C(o=-4.4!,f=-5!) USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= -1.08 (180deg=-1.29) USER MOD Single : A 75 CYS SG : rot -114:sc= -0.878 USER MOD Single : A 78 LYS NZ :NH3+ -149:sc= -0.0679 (180deg=-0.63) USER MOD Single : A 81 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.5!) USER MOD Single : A 82 LYS NZ :NH3+ -147:sc= -0.06 (180deg=-0.362) USER MOD Single : A 86 TYR OH : rot 122:sc= -1.95 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 75.644 10.212 30.746 1.00 0.00 N ATOM 2 CA GLY A -3 75.476 9.792 29.325 1.00 0.00 C ATOM 3 C GLY A -3 74.330 8.792 29.220 1.00 0.00 C ATOM 4 O GLY A -3 74.518 7.595 29.437 1.00 0.00 O ATOM 0 H1 GLY A -3 76.426 10.894 30.816 1.00 0.00 H new ATOM 0 H2 GLY A -3 74.766 10.656 31.083 1.00 0.00 H new ATOM 0 H3 GLY A -3 75.857 9.379 31.331 1.00 0.00 H new ATOM 0 HA2 GLY A -3 75.272 10.661 28.700 1.00 0.00 H new ATOM 0 HA3 GLY A -3 76.398 9.344 28.956 1.00 0.00 H new ATOM 10 N SER A -2 73.143 9.291 28.890 1.00 0.00 N ATOM 11 CA SER A -2 71.973 8.430 28.763 1.00 0.00 C ATOM 12 C SER A -2 72.134 7.476 27.582 1.00 0.00 C ATOM 13 O SER A -2 72.659 7.853 26.535 1.00 0.00 O ATOM 14 CB SER A -2 70.719 9.281 28.563 1.00 0.00 C ATOM 15 OG SER A -2 70.516 10.095 29.711 1.00 0.00 O ATOM 0 H SER A -2 72.967 10.279 28.707 1.00 0.00 H new ATOM 0 HA SER A -2 71.875 7.845 29.678 1.00 0.00 H new ATOM 0 HB2 SER A -2 70.826 9.904 27.675 1.00 0.00 H new ATOM 0 HB3 SER A -2 69.853 8.640 28.400 1.00 0.00 H new ATOM 0 HG SER A -2 69.714 10.643 29.585 1.00 0.00 H new ATOM 21 N HIS A -1 71.673 6.241 27.761 1.00 0.00 N ATOM 22 CA HIS A -1 71.765 5.237 26.706 1.00 0.00 C ATOM 23 C HIS A -1 70.397 4.999 26.073 1.00 0.00 C ATOM 24 O HIS A -1 70.233 4.104 25.243 1.00 0.00 O ATOM 25 CB HIS A -1 72.307 3.925 27.277 1.00 0.00 C ATOM 26 CG HIS A -1 71.321 3.359 28.263 1.00 0.00 C ATOM 27 ND1 HIS A -1 71.188 3.862 29.548 1.00 0.00 N ATOM 28 CD2 HIS A -1 70.416 2.332 28.166 1.00 0.00 C ATOM 29 CE1 HIS A -1 70.235 3.142 30.168 1.00 0.00 C ATOM 30 NE2 HIS A -1 69.731 2.196 29.371 1.00 0.00 N ATOM 0 H HIS A -1 71.234 5.913 28.622 1.00 0.00 H new ATOM 0 HA HIS A -1 72.447 5.604 25.939 1.00 0.00 H new ATOM 0 HB2 HIS A -1 72.482 3.211 26.472 1.00 0.00 H new ATOM 0 HB3 HIS A -1 73.266 4.098 27.765 1.00 0.00 H new ATOM 0 HD2 HIS A -1 70.259 1.722 27.289 1.00 0.00 H new ATOM 0 HE1 HIS A -1 69.916 3.309 31.186 1.00 0.00 H new ATOM 0 HE2 HIS A -1 69.002 1.520 29.596 1.00 0.00 H new ATOM 38 N MET A 0 69.416 5.800 26.476 1.00 0.00 N ATOM 39 CA MET A 0 68.062 5.664 25.948 1.00 0.00 C ATOM 40 C MET A 0 67.997 6.125 24.495 1.00 0.00 C ATOM 41 O MET A 0 67.908 7.321 24.218 1.00 0.00 O ATOM 42 CB MET A 0 67.087 6.491 26.788 1.00 0.00 C ATOM 43 CG MET A 0 67.390 6.287 28.272 1.00 0.00 C ATOM 44 SD MET A 0 65.997 6.893 29.258 1.00 0.00 S ATOM 45 CE MET A 0 66.743 6.640 30.887 1.00 0.00 C ATOM 0 H MET A 0 69.531 6.546 27.162 1.00 0.00 H new ATOM 0 HA MET A 0 67.783 4.611 25.995 1.00 0.00 H new ATOM 0 HB2 MET A 0 67.174 7.547 26.530 1.00 0.00 H new ATOM 0 HB3 MET A 0 66.061 6.193 26.571 1.00 0.00 H new ATOM 0 HG2 MET A 0 67.563 5.231 28.477 1.00 0.00 H new ATOM 0 HG3 MET A 0 68.302 6.818 28.545 1.00 0.00 H new ATOM 0 HE1 MET A 0 66.042 6.954 31.661 1.00 0.00 H new ATOM 0 HE2 MET A 0 66.980 5.584 31.019 1.00 0.00 H new ATOM 0 HE3 MET A 0 67.657 7.229 30.964 1.00 0.00 H new ATOM 55 N MET A 1 68.036 5.165 23.574 1.00 0.00 N ATOM 56 CA MET A 1 67.973 5.476 22.150 1.00 0.00 C ATOM 57 C MET A 1 66.888 4.649 21.468 1.00 0.00 C ATOM 58 O MET A 1 66.879 3.422 21.562 1.00 0.00 O ATOM 59 CB MET A 1 69.326 5.187 21.496 1.00 0.00 C ATOM 60 CG MET A 1 70.288 6.346 21.764 1.00 0.00 C ATOM 61 SD MET A 1 69.770 7.794 20.808 1.00 0.00 S ATOM 62 CE MET A 1 71.133 8.885 21.284 1.00 0.00 C ATOM 0 H MET A 1 68.111 4.170 23.788 1.00 0.00 H new ATOM 0 HA MET A 1 67.731 6.533 22.036 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.740 4.259 21.891 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.199 5.048 20.422 1.00 0.00 H new ATOM 0 HG2 MET A 1 70.300 6.584 22.828 1.00 0.00 H new ATOM 0 HG3 MET A 1 71.304 6.060 21.490 1.00 0.00 H new ATOM 0 HE1 MET A 1 71.011 9.853 20.798 1.00 0.00 H new ATOM 0 HE2 MET A 1 71.131 9.019 22.366 1.00 0.00 H new ATOM 0 HE3 MET A 1 72.079 8.441 20.975 1.00 0.00 H new ATOM 72 N ALA A 2 65.977 5.330 20.781 1.00 0.00 N ATOM 73 CA ALA A 2 64.892 4.649 20.084 1.00 0.00 C ATOM 74 C ALA A 2 65.318 4.268 18.671 1.00 0.00 C ATOM 75 O ALA A 2 65.977 5.047 17.983 1.00 0.00 O ATOM 76 CB ALA A 2 63.662 5.556 20.021 1.00 0.00 C ATOM 0 H ALA A 2 65.968 6.346 20.692 1.00 0.00 H new ATOM 0 HA ALA A 2 64.646 3.741 20.634 1.00 0.00 H new ATOM 0 HB1 ALA A 2 62.856 5.040 19.499 1.00 0.00 H new ATOM 0 HB2 ALA A 2 63.340 5.803 21.033 1.00 0.00 H new ATOM 0 HB3 ALA A 2 63.913 6.472 19.486 1.00 0.00 H new ATOM 82 N THR A 3 64.935 3.069 18.244 1.00 0.00 N ATOM 83 CA THR A 3 65.281 2.599 16.908 1.00 0.00 C ATOM 84 C THR A 3 66.715 2.983 16.557 1.00 0.00 C ATOM 85 O THR A 3 67.529 3.255 17.440 1.00 0.00 O ATOM 86 CB THR A 3 64.324 3.203 15.878 1.00 0.00 C ATOM 87 OG1 THR A 3 64.518 4.609 15.822 1.00 0.00 O ATOM 88 CG2 THR A 3 62.880 2.901 16.281 1.00 0.00 C ATOM 0 H THR A 3 64.389 2.410 18.799 1.00 0.00 H new ATOM 0 HA THR A 3 65.194 1.513 16.893 1.00 0.00 H new ATOM 0 HB THR A 3 64.523 2.769 14.898 1.00 0.00 H new ATOM 0 HG1 THR A 3 65.299 4.853 16.361 1.00 0.00 H new ATOM 0 HG21 THR A 3 62.200 3.332 15.546 1.00 0.00 H new ATOM 0 HG22 THR A 3 62.732 1.822 16.323 1.00 0.00 H new ATOM 0 HG23 THR A 3 62.678 3.334 17.261 1.00 0.00 H new ATOM 96 N SER A 4 67.017 3.002 15.264 1.00 0.00 N ATOM 97 CA SER A 4 68.355 3.356 14.807 1.00 0.00 C ATOM 98 C SER A 4 69.404 2.500 15.509 1.00 0.00 C ATOM 99 O SER A 4 70.489 2.978 15.840 1.00 0.00 O ATOM 100 CB SER A 4 68.629 4.833 15.085 1.00 0.00 C ATOM 101 OG SER A 4 67.687 5.627 14.375 1.00 0.00 O ATOM 0 H SER A 4 66.358 2.778 14.518 1.00 0.00 H new ATOM 0 HA SER A 4 68.412 3.173 13.734 1.00 0.00 H new ATOM 0 HB2 SER A 4 68.558 5.033 16.154 1.00 0.00 H new ATOM 0 HB3 SER A 4 69.643 5.091 14.779 1.00 0.00 H new ATOM 0 HG SER A 4 67.859 6.575 14.552 1.00 0.00 H new ATOM 107 N ASP A 5 69.075 1.232 15.727 1.00 0.00 N ATOM 108 CA ASP A 5 70.001 0.320 16.385 1.00 0.00 C ATOM 109 C ASP A 5 69.745 -1.113 15.935 1.00 0.00 C ATOM 110 O ASP A 5 69.121 -1.895 16.653 1.00 0.00 O ATOM 111 CB ASP A 5 69.842 0.419 17.904 1.00 0.00 C ATOM 112 CG ASP A 5 70.846 -0.496 18.595 1.00 0.00 C ATOM 113 OD1 ASP A 5 72.031 -0.226 18.494 1.00 0.00 O ATOM 114 OD2 ASP A 5 70.415 -1.451 19.220 1.00 0.00 O ATOM 0 H ASP A 5 68.183 0.816 15.461 1.00 0.00 H new ATOM 0 HA ASP A 5 71.018 0.600 16.110 1.00 0.00 H new ATOM 0 HB2 ASP A 5 69.994 1.449 18.227 1.00 0.00 H new ATOM 0 HB3 ASP A 5 68.828 0.141 18.190 1.00 0.00 H new ATOM 119 N VAL A 6 70.237 -1.449 14.746 1.00 0.00 N ATOM 120 CA VAL A 6 70.066 -2.794 14.204 1.00 0.00 C ATOM 121 C VAL A 6 71.417 -3.468 14.006 1.00 0.00 C ATOM 122 O VAL A 6 72.321 -2.906 13.385 1.00 0.00 O ATOM 123 CB VAL A 6 69.322 -2.742 12.872 1.00 0.00 C ATOM 124 CG1 VAL A 6 69.211 -4.158 12.302 1.00 0.00 C ATOM 125 CG2 VAL A 6 67.919 -2.177 13.102 1.00 0.00 C ATOM 0 H VAL A 6 70.755 -0.812 14.141 1.00 0.00 H new ATOM 0 HA VAL A 6 69.481 -3.374 14.918 1.00 0.00 H new ATOM 0 HB VAL A 6 69.863 -2.106 12.171 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.680 -4.127 11.350 1.00 0.00 H new ATOM 0 HG12 VAL A 6 70.209 -4.567 12.147 1.00 0.00 H new ATOM 0 HG13 VAL A 6 68.664 -4.790 13.002 1.00 0.00 H new ATOM 0 HG21 VAL A 6 67.383 -2.137 12.154 1.00 0.00 H new ATOM 0 HG22 VAL A 6 67.378 -2.818 13.798 1.00 0.00 H new ATOM 0 HG23 VAL A 6 67.995 -1.172 13.518 1.00 0.00 H new ATOM 135 N LYS A 7 71.544 -4.673 14.544 1.00 0.00 N ATOM 136 CA LYS A 7 72.787 -5.423 14.430 1.00 0.00 C ATOM 137 C LYS A 7 72.708 -6.460 13.302 1.00 0.00 C ATOM 138 O LYS A 7 71.621 -6.898 12.926 1.00 0.00 O ATOM 139 CB LYS A 7 73.112 -6.126 15.757 1.00 0.00 C ATOM 140 CG LYS A 7 71.836 -6.349 16.590 1.00 0.00 C ATOM 141 CD LYS A 7 70.867 -7.279 15.851 1.00 0.00 C ATOM 142 CE LYS A 7 69.666 -7.586 16.747 1.00 0.00 C ATOM 143 NZ LYS A 7 68.720 -8.471 16.012 1.00 0.00 N ATOM 0 H LYS A 7 70.806 -5.150 15.061 1.00 0.00 H new ATOM 0 HA LYS A 7 73.581 -4.715 14.193 1.00 0.00 H new ATOM 0 HB2 LYS A 7 73.592 -7.084 15.557 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.822 -5.526 16.326 1.00 0.00 H new ATOM 0 HG2 LYS A 7 72.097 -6.780 17.557 1.00 0.00 H new ATOM 0 HG3 LYS A 7 71.352 -5.393 16.787 1.00 0.00 H new ATOM 0 HD2 LYS A 7 70.533 -6.811 14.925 1.00 0.00 H new ATOM 0 HD3 LYS A 7 71.374 -8.204 15.575 1.00 0.00 H new ATOM 0 HE2 LYS A 7 69.997 -8.071 17.666 1.00 0.00 H new ATOM 0 HE3 LYS A 7 69.167 -6.661 17.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 67.901 -8.683 16.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 68.397 -7.992 15.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 69.201 -9.357 15.757 1.00 0.00 H new ATOM 157 N PRO A 8 73.834 -6.862 12.759 1.00 0.00 N ATOM 158 CA PRO A 8 73.879 -7.874 11.663 1.00 0.00 C ATOM 159 C PRO A 8 73.532 -9.276 12.149 1.00 0.00 C ATOM 160 O PRO A 8 73.680 -9.591 13.330 1.00 0.00 O ATOM 161 CB PRO A 8 75.322 -7.818 11.169 1.00 0.00 C ATOM 162 CG PRO A 8 76.116 -7.306 12.314 1.00 0.00 C ATOM 163 CD PRO A 8 75.187 -6.395 13.117 1.00 0.00 C ATOM 0 HA PRO A 8 73.147 -7.655 10.886 1.00 0.00 H new ATOM 0 HB2 PRO A 8 75.669 -8.804 10.861 1.00 0.00 H new ATOM 0 HB3 PRO A 8 75.415 -7.162 10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 8 76.481 -8.127 12.930 1.00 0.00 H new ATOM 0 HG3 PRO A 8 76.990 -6.757 11.965 1.00 0.00 H new ATOM 0 HD2 PRO A 8 75.369 -6.483 14.188 1.00 0.00 H new ATOM 0 HD3 PRO A 8 75.330 -5.347 12.854 1.00 0.00 H new ATOM 171 N LYS A 9 73.082 -10.115 11.224 1.00 0.00 N ATOM 172 CA LYS A 9 72.730 -11.487 11.556 1.00 0.00 C ATOM 173 C LYS A 9 73.910 -12.422 11.315 1.00 0.00 C ATOM 174 O LYS A 9 74.199 -13.296 12.134 1.00 0.00 O ATOM 175 CB LYS A 9 71.540 -11.943 10.712 1.00 0.00 C ATOM 176 CG LYS A 9 71.015 -13.279 11.246 1.00 0.00 C ATOM 177 CD LYS A 9 71.016 -14.311 10.121 1.00 0.00 C ATOM 178 CE LYS A 9 70.016 -13.893 9.042 1.00 0.00 C ATOM 179 NZ LYS A 9 70.718 -13.763 7.734 1.00 0.00 N ATOM 0 H LYS A 9 72.953 -9.869 10.242 1.00 0.00 H new ATOM 0 HA LYS A 9 72.463 -11.522 12.612 1.00 0.00 H new ATOM 0 HB2 LYS A 9 70.751 -11.192 10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 9 71.840 -12.049 9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 9 71.639 -13.624 12.071 1.00 0.00 H new ATOM 0 HG3 LYS A 9 70.006 -13.155 11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 9 72.015 -14.396 9.693 1.00 0.00 H new ATOM 0 HD3 LYS A 9 70.753 -15.293 10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 9 69.218 -14.631 8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 9 69.549 -12.946 9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 70.115 -14.144 6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 70.918 -12.760 7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 71.612 -14.294 7.765 1.00 0.00 H new ATOM 193 N SER A 10 74.588 -12.237 10.188 1.00 0.00 N ATOM 194 CA SER A 10 75.732 -13.077 9.850 1.00 0.00 C ATOM 195 C SER A 10 76.645 -12.377 8.852 1.00 0.00 C ATOM 196 O SER A 10 76.259 -11.387 8.232 1.00 0.00 O ATOM 197 CB SER A 10 75.248 -14.396 9.253 1.00 0.00 C ATOM 198 OG SER A 10 74.515 -15.115 10.235 1.00 0.00 O ATOM 0 H SER A 10 74.368 -11.519 9.498 1.00 0.00 H new ATOM 0 HA SER A 10 76.295 -13.269 10.764 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.621 -14.206 8.382 1.00 0.00 H new ATOM 0 HB3 SER A 10 76.098 -14.987 8.911 1.00 0.00 H new ATOM 0 HG SER A 10 74.660 -14.708 11.115 1.00 0.00 H new ATOM 204 N ILE A 11 77.860 -12.898 8.703 1.00 0.00 N ATOM 205 CA ILE A 11 78.821 -12.324 7.766 1.00 0.00 C ATOM 206 C ILE A 11 79.350 -13.398 6.822 1.00 0.00 C ATOM 207 O ILE A 11 79.737 -14.484 7.255 1.00 0.00 O ATOM 208 CB ILE A 11 79.976 -11.660 8.519 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.419 -10.573 9.446 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.943 -11.025 7.517 1.00 0.00 C ATOM 211 CD1 ILE A 11 79.251 -11.143 10.855 1.00 0.00 C ATOM 0 H ILE A 11 78.201 -13.711 9.215 1.00 0.00 H new ATOM 0 HA ILE A 11 78.312 -11.562 7.175 1.00 0.00 H new ATOM 0 HB ILE A 11 80.504 -12.410 9.108 1.00 0.00 H new ATOM 0 HG12 ILE A 11 80.093 -9.717 9.466 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.460 -10.215 9.070 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.765 -10.552 8.054 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.338 -11.795 6.854 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.416 -10.275 6.928 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.855 -10.371 11.515 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.560 -11.986 10.827 1.00 0.00 H new ATOM 0 HD13 ILE A 11 80.218 -11.479 11.229 1.00 0.00 H new ATOM 223 N SER A 12 79.351 -13.085 5.528 1.00 0.00 N ATOM 224 CA SER A 12 79.819 -14.023 4.512 1.00 0.00 C ATOM 225 C SER A 12 80.946 -13.405 3.695 1.00 0.00 C ATOM 226 O SER A 12 81.317 -12.250 3.905 1.00 0.00 O ATOM 227 CB SER A 12 78.668 -14.413 3.583 1.00 0.00 C ATOM 228 OG SER A 12 79.153 -15.305 2.586 1.00 0.00 O ATOM 0 H SER A 12 79.033 -12.189 5.159 1.00 0.00 H new ATOM 0 HA SER A 12 80.193 -14.915 5.015 1.00 0.00 H new ATOM 0 HB2 SER A 12 77.869 -14.886 4.153 1.00 0.00 H new ATOM 0 HB3 SER A 12 78.244 -13.524 3.117 1.00 0.00 H new ATOM 0 HG SER A 12 78.418 -15.559 1.989 1.00 0.00 H new ATOM 234 N ARG A 13 81.480 -14.184 2.760 1.00 0.00 N ATOM 235 CA ARG A 13 82.562 -13.710 1.904 1.00 0.00 C ATOM 236 C ARG A 13 82.130 -13.696 0.446 1.00 0.00 C ATOM 237 O ARG A 13 81.565 -14.666 -0.060 1.00 0.00 O ATOM 238 CB ARG A 13 83.789 -14.609 2.067 1.00 0.00 C ATOM 239 CG ARG A 13 84.469 -14.319 3.408 1.00 0.00 C ATOM 240 CD ARG A 13 85.487 -13.188 3.232 1.00 0.00 C ATOM 241 NE ARG A 13 86.101 -12.856 4.512 1.00 0.00 N ATOM 242 CZ ARG A 13 86.950 -11.839 4.619 1.00 0.00 C ATOM 243 NH1 ARG A 13 87.242 -11.122 3.569 1.00 0.00 N ATOM 244 NH2 ARG A 13 87.489 -11.557 5.774 1.00 0.00 N ATOM 0 H ARG A 13 81.183 -15.142 2.576 1.00 0.00 H new ATOM 0 HA ARG A 13 82.814 -12.693 2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.493 -15.657 2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.489 -14.437 1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 13 83.724 -14.039 4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 13 84.966 -15.216 3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 13 86.255 -13.489 2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 13 84.995 -12.308 2.818 1.00 0.00 H new ATOM 0 HE ARG A 13 85.876 -13.412 5.337 1.00 0.00 H new ATOM 0 HH11 ARG A 13 86.819 -11.342 2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 13 87.893 -10.341 3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 13 87.259 -12.117 6.595 1.00 0.00 H new ATOM 0 HH22 ARG A 13 88.141 -10.776 5.856 1.00 0.00 H new ATOM 258 N ALA A 14 82.401 -12.582 -0.219 1.00 0.00 N ATOM 259 CA ALA A 14 82.045 -12.428 -1.621 1.00 0.00 C ATOM 260 C ALA A 14 82.849 -13.388 -2.486 1.00 0.00 C ATOM 261 O ALA A 14 83.960 -13.781 -2.127 1.00 0.00 O ATOM 262 CB ALA A 14 82.308 -10.993 -2.061 1.00 0.00 C ATOM 0 H ALA A 14 82.866 -11.772 0.190 1.00 0.00 H new ATOM 0 HA ALA A 14 80.986 -12.658 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.041 -10.880 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 14 81.707 -10.312 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.364 -10.760 -1.928 1.00 0.00 H new ATOM 268 N LYS A 15 82.279 -13.769 -3.621 1.00 0.00 N ATOM 269 CA LYS A 15 82.946 -14.691 -4.529 1.00 0.00 C ATOM 270 C LYS A 15 83.694 -13.921 -5.614 1.00 0.00 C ATOM 271 O LYS A 15 84.788 -14.312 -6.025 1.00 0.00 O ATOM 272 CB LYS A 15 81.920 -15.618 -5.186 1.00 0.00 C ATOM 273 CG LYS A 15 80.616 -15.618 -4.375 1.00 0.00 C ATOM 274 CD LYS A 15 79.785 -14.371 -4.716 1.00 0.00 C ATOM 275 CE LYS A 15 78.611 -14.766 -5.612 1.00 0.00 C ATOM 276 NZ LYS A 15 77.816 -13.550 -5.947 1.00 0.00 N ATOM 0 H LYS A 15 81.360 -13.455 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 15 83.657 -15.284 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.723 -15.290 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.319 -16.630 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 15 80.042 -16.519 -4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 15 80.841 -15.635 -3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 15 79.417 -13.906 -3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 15 80.408 -13.633 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 15 78.977 -15.238 -6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 15 77.982 -15.498 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 77.134 -13.777 -6.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 77.305 -13.226 -5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 78.454 -12.797 -6.275 1.00 0.00 H new ATOM 290 N LYS A 16 83.091 -12.826 -6.082 1.00 0.00 N ATOM 291 CA LYS A 16 83.701 -12.003 -7.130 1.00 0.00 C ATOM 292 C LYS A 16 83.555 -10.520 -6.809 1.00 0.00 C ATOM 293 O LYS A 16 83.119 -10.149 -5.723 1.00 0.00 O ATOM 294 CB LYS A 16 83.068 -12.323 -8.493 1.00 0.00 C ATOM 295 CG LYS A 16 81.927 -11.344 -8.824 1.00 0.00 C ATOM 296 CD LYS A 16 80.873 -12.043 -9.680 1.00 0.00 C ATOM 297 CE LYS A 16 79.867 -12.762 -8.773 1.00 0.00 C ATOM 298 NZ LYS A 16 78.817 -13.405 -9.610 1.00 0.00 N ATOM 0 H LYS A 16 82.186 -12.489 -5.754 1.00 0.00 H new ATOM 0 HA LYS A 16 84.765 -12.237 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 16 83.830 -12.273 -9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.684 -13.343 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 16 81.474 -10.975 -7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 16 82.322 -10.477 -9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 16 80.357 -11.315 -10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 16 81.350 -12.759 -10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 16 80.377 -13.513 -8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 16 79.412 -12.053 -8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 78.134 -13.893 -8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 78.324 -12.678 -10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 79.258 -14.093 -10.252 1.00 0.00 H new ATOM 312 N TRP A 17 83.912 -9.688 -7.774 1.00 0.00 N ATOM 313 CA TRP A 17 83.810 -8.245 -7.612 1.00 0.00 C ATOM 314 C TRP A 17 82.522 -7.721 -8.233 1.00 0.00 C ATOM 315 O TRP A 17 82.223 -7.998 -9.396 1.00 0.00 O ATOM 316 CB TRP A 17 85.012 -7.556 -8.249 1.00 0.00 C ATOM 317 CG TRP A 17 84.784 -6.081 -8.257 1.00 0.00 C ATOM 318 CD1 TRP A 17 84.906 -5.270 -7.182 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.414 -5.223 -9.375 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.632 -3.974 -7.568 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.325 -3.893 -8.910 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.149 -5.470 -10.734 1.00 0.00 C ATOM 323 CZ2 TRP A 17 83.985 -2.840 -9.760 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.806 -4.413 -11.594 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.724 -3.101 -11.107 1.00 0.00 C ATOM 0 H TRP A 17 84.275 -9.987 -8.679 1.00 0.00 H new ATOM 0 HA TRP A 17 83.796 -8.022 -6.545 1.00 0.00 H new ATOM 0 HB2 TRP A 17 85.919 -7.793 -7.693 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.158 -7.919 -9.266 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.174 -5.585 -6.184 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.654 -3.173 -6.937 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.209 -6.477 -11.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 83.924 -1.831 -9.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 83.604 -4.612 -12.636 1.00 0.00 H new ATOM 0 HH2 TRP A 17 83.459 -2.293 -11.773 1.00 0.00 H new ATOM 336 N SER A 18 81.764 -6.963 -7.453 1.00 0.00 N ATOM 337 CA SER A 18 80.509 -6.401 -7.934 1.00 0.00 C ATOM 338 C SER A 18 80.149 -5.151 -7.145 1.00 0.00 C ATOM 339 O SER A 18 80.599 -4.970 -6.016 1.00 0.00 O ATOM 340 CB SER A 18 79.383 -7.426 -7.802 1.00 0.00 C ATOM 341 OG SER A 18 78.168 -6.846 -8.260 1.00 0.00 O ATOM 0 H SER A 18 81.994 -6.724 -6.489 1.00 0.00 H new ATOM 0 HA SER A 18 80.635 -6.137 -8.984 1.00 0.00 H new ATOM 0 HB2 SER A 18 79.616 -8.318 -8.384 1.00 0.00 H new ATOM 0 HB3 SER A 18 79.281 -7.741 -6.763 1.00 0.00 H new ATOM 0 HG SER A 18 77.443 -7.500 -8.179 1.00 0.00 H new ATOM 347 N GLU A 19 79.350 -4.287 -7.756 1.00 0.00 N ATOM 348 CA GLU A 19 78.950 -3.051 -7.100 1.00 0.00 C ATOM 349 C GLU A 19 78.572 -3.319 -5.651 1.00 0.00 C ATOM 350 O GLU A 19 78.747 -2.460 -4.786 1.00 0.00 O ATOM 351 CB GLU A 19 77.760 -2.432 -7.839 1.00 0.00 C ATOM 352 CG GLU A 19 76.593 -3.425 -7.847 1.00 0.00 C ATOM 353 CD GLU A 19 75.424 -2.858 -8.646 1.00 0.00 C ATOM 354 OE1 GLU A 19 75.592 -1.809 -9.245 1.00 0.00 O ATOM 355 OE2 GLU A 19 74.374 -3.482 -8.645 1.00 0.00 O ATOM 0 H GLU A 19 78.970 -4.417 -8.694 1.00 0.00 H new ATOM 0 HA GLU A 19 79.790 -2.356 -7.121 1.00 0.00 H new ATOM 0 HB2 GLU A 19 77.459 -1.504 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 19 78.044 -2.179 -8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 19 76.915 -4.372 -8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.277 -3.634 -6.825 1.00 0.00 H new ATOM 362 N GLU A 20 78.071 -4.519 -5.387 1.00 0.00 N ATOM 363 CA GLU A 20 77.695 -4.890 -4.031 1.00 0.00 C ATOM 364 C GLU A 20 78.927 -4.960 -3.135 1.00 0.00 C ATOM 365 O GLU A 20 78.907 -4.493 -2.003 1.00 0.00 O ATOM 366 CB GLU A 20 76.994 -6.245 -4.040 1.00 0.00 C ATOM 367 CG GLU A 20 75.618 -6.100 -4.688 1.00 0.00 C ATOM 368 CD GLU A 20 74.997 -7.475 -4.899 1.00 0.00 C ATOM 369 OE1 GLU A 20 75.729 -8.449 -4.834 1.00 0.00 O ATOM 370 OE2 GLU A 20 73.800 -7.535 -5.120 1.00 0.00 O ATOM 0 H GLU A 20 77.917 -5.245 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 20 77.017 -4.131 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.592 -6.973 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.891 -6.620 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 20 74.971 -5.492 -4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.709 -5.582 -5.643 1.00 0.00 H new ATOM 377 N ILE A 21 79.999 -5.551 -3.654 1.00 0.00 N ATOM 378 CA ILE A 21 81.233 -5.679 -2.878 1.00 0.00 C ATOM 379 C ILE A 21 81.914 -4.327 -2.764 1.00 0.00 C ATOM 380 O ILE A 21 82.152 -3.839 -1.659 1.00 0.00 O ATOM 381 CB ILE A 21 82.173 -6.690 -3.547 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.348 -7.869 -4.071 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.213 -7.201 -2.539 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.418 -8.387 -2.972 1.00 0.00 C ATOM 0 H ILE A 21 80.042 -5.944 -4.594 1.00 0.00 H new ATOM 0 HA ILE A 21 80.988 -6.037 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 21 82.694 -6.203 -4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.763 -7.558 -4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 21 82.011 -8.668 -4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.873 -7.917 -3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.801 -6.362 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.704 -7.686 -1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.835 -9.225 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 21 81.011 -8.716 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.744 -7.589 -2.660 1.00 0.00 H new ATOM 396 N GLU A 22 82.243 -3.734 -3.901 1.00 0.00 N ATOM 397 CA GLU A 22 82.909 -2.446 -3.905 1.00 0.00 C ATOM 398 C GLU A 22 82.263 -1.529 -2.888 1.00 0.00 C ATOM 399 O GLU A 22 82.940 -0.948 -2.046 1.00 0.00 O ATOM 400 CB GLU A 22 82.798 -1.828 -5.303 1.00 0.00 C ATOM 401 CG GLU A 22 82.907 -0.302 -5.234 1.00 0.00 C ATOM 402 CD GLU A 22 81.541 0.315 -4.947 1.00 0.00 C ATOM 403 OE1 GLU A 22 80.558 -0.189 -5.466 1.00 0.00 O ATOM 404 OE2 GLU A 22 81.497 1.286 -4.214 1.00 0.00 O ATOM 0 H GLU A 22 82.060 -4.123 -4.826 1.00 0.00 H new ATOM 0 HA GLU A 22 83.959 -2.578 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.585 -2.225 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 22 81.847 -2.109 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.614 -0.016 -4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 22 83.297 0.084 -6.176 1.00 0.00 H new ATOM 411 N ASN A 23 80.953 -1.399 -2.973 1.00 0.00 N ATOM 412 CA ASN A 23 80.240 -0.536 -2.048 1.00 0.00 C ATOM 413 C ASN A 23 80.499 -0.961 -0.611 1.00 0.00 C ATOM 414 O ASN A 23 80.824 -0.135 0.233 1.00 0.00 O ATOM 415 CB ASN A 23 78.746 -0.609 -2.323 1.00 0.00 C ATOM 416 CG ASN A 23 78.006 0.183 -1.257 1.00 0.00 C ATOM 417 OD1 ASN A 23 77.787 -0.373 -0.102 1.00 0.00 O flip ATOM 418 ND2 ASN A 23 77.650 1.346 -1.468 1.00 0.00 N flip ATOM 0 H ASN A 23 80.367 -1.871 -3.661 1.00 0.00 H new ATOM 0 HA ASN A 23 80.596 0.485 -2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.525 -0.207 -3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.413 -1.647 -2.320 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.825 1.776 -2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 23 77.181 1.877 -0.734 1.00 0.00 H new ATOM 425 N LEU A 24 80.346 -2.241 -0.325 1.00 0.00 N ATOM 426 CA LEU A 24 80.559 -2.711 1.030 1.00 0.00 C ATOM 427 C LEU A 24 81.961 -2.362 1.485 1.00 0.00 C ATOM 428 O LEU A 24 82.152 -1.918 2.609 1.00 0.00 O ATOM 429 CB LEU A 24 80.348 -4.216 1.080 1.00 0.00 C ATOM 430 CG LEU A 24 78.852 -4.512 0.960 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.658 -5.992 0.654 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.135 -4.171 2.274 1.00 0.00 C ATOM 0 H LEU A 24 80.081 -2.960 -0.998 1.00 0.00 H new ATOM 0 HA LEU A 24 79.847 -2.227 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.894 -4.700 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.738 -4.620 2.014 1.00 0.00 H new ATOM 0 HG LEU A 24 78.433 -3.904 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.593 -6.209 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.156 -6.238 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.086 -6.589 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.071 -4.386 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.553 -4.771 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.271 -3.113 2.499 1.00 0.00 H new ATOM 444 N TYR A 25 82.938 -2.530 0.606 1.00 0.00 N ATOM 445 CA TYR A 25 84.304 -2.189 0.948 1.00 0.00 C ATOM 446 C TYR A 25 84.415 -0.708 1.286 1.00 0.00 C ATOM 447 O TYR A 25 85.001 -0.340 2.304 1.00 0.00 O ATOM 448 CB TYR A 25 85.232 -2.524 -0.219 1.00 0.00 C ATOM 449 CG TYR A 25 86.597 -1.927 0.032 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.415 -2.445 1.043 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.048 -0.860 -0.756 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.684 -1.896 1.265 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.314 -0.311 -0.531 1.00 0.00 C ATOM 454 CZ TYR A 25 89.133 -0.830 0.478 1.00 0.00 C ATOM 455 OH TYR A 25 90.385 -0.290 0.693 1.00 0.00 O ATOM 0 H TYR A 25 82.810 -2.896 -0.337 1.00 0.00 H new ATOM 0 HA TYR A 25 84.599 -2.770 1.821 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.312 -3.605 -0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 25 84.819 -2.134 -1.149 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.068 -3.267 1.651 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.418 -0.462 -1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.316 -2.296 2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.660 0.514 -1.136 1.00 0.00 H new ATOM 0 HH TYR A 25 90.539 0.441 0.059 1.00 0.00 H new ATOM 465 N ARG A 26 83.858 0.141 0.422 1.00 0.00 N ATOM 466 CA ARG A 26 83.926 1.581 0.648 1.00 0.00 C ATOM 467 C ARG A 26 83.212 1.956 1.940 1.00 0.00 C ATOM 468 O ARG A 26 83.717 2.743 2.731 1.00 0.00 O ATOM 469 CB ARG A 26 83.283 2.338 -0.514 1.00 0.00 C ATOM 470 CG ARG A 26 84.096 2.117 -1.790 1.00 0.00 C ATOM 471 CD ARG A 26 83.605 3.076 -2.872 1.00 0.00 C ATOM 472 NE ARG A 26 84.286 2.806 -4.134 1.00 0.00 N ATOM 473 CZ ARG A 26 84.138 3.611 -5.182 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.400 4.683 -5.081 1.00 0.00 N ATOM 475 NH2 ARG A 26 84.737 3.333 -6.307 1.00 0.00 N ATOM 0 H ARG A 26 83.364 -0.138 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 26 84.978 1.857 0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.259 1.995 -0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.233 3.402 -0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.155 2.283 -1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 26 83.992 1.086 -2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.528 2.968 -3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 26 83.788 4.106 -2.565 1.00 0.00 H new ATOM 0 HE ARG A 26 84.886 1.985 -4.214 1.00 0.00 H new ATOM 0 HH11 ARG A 26 82.938 4.903 -4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.286 5.301 -5.884 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.319 2.498 -6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.624 3.950 -7.111 1.00 0.00 H new ATOM 489 N PHE A 27 82.019 1.417 2.152 1.00 0.00 N ATOM 490 CA PHE A 27 81.273 1.744 3.356 1.00 0.00 C ATOM 491 C PHE A 27 81.991 1.204 4.593 1.00 0.00 C ATOM 492 O PHE A 27 82.160 1.912 5.586 1.00 0.00 O ATOM 493 CB PHE A 27 79.875 1.143 3.244 1.00 0.00 C ATOM 494 CG PHE A 27 78.995 2.076 2.447 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.329 2.402 1.125 1.00 0.00 C ATOM 496 CD2 PHE A 27 77.835 2.599 3.016 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.505 3.248 0.381 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.016 3.446 2.270 1.00 0.00 C ATOM 499 CZ PHE A 27 77.348 3.771 0.955 1.00 0.00 C ATOM 0 H PHE A 27 81.556 0.765 1.519 1.00 0.00 H new ATOM 0 HA PHE A 27 81.199 2.827 3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 27 79.923 0.168 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.453 0.986 4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 27 80.226 1.997 0.681 1.00 0.00 H new ATOM 0 HD2 PHE A 27 77.571 2.349 4.033 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.764 3.497 -0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 27 76.119 3.853 2.713 1.00 0.00 H new ATOM 0 HZ PHE A 27 76.709 4.427 0.382 1.00 0.00 H new ATOM 509 N GLN A 28 82.398 -0.061 4.518 1.00 0.00 N ATOM 510 CA GLN A 28 83.078 -0.708 5.634 1.00 0.00 C ATOM 511 C GLN A 28 84.355 0.033 6.002 1.00 0.00 C ATOM 512 O GLN A 28 84.629 0.249 7.181 1.00 0.00 O ATOM 513 CB GLN A 28 83.442 -2.152 5.274 1.00 0.00 C ATOM 514 CG GLN A 28 82.198 -3.040 5.283 1.00 0.00 C ATOM 515 CD GLN A 28 82.538 -4.397 4.680 1.00 0.00 C ATOM 516 OE1 GLN A 28 83.701 -4.799 4.665 1.00 0.00 O ATOM 517 NE2 GLN A 28 81.587 -5.129 4.177 1.00 0.00 N ATOM 0 H GLN A 28 82.269 -0.655 3.699 1.00 0.00 H new ATOM 0 HA GLN A 28 82.395 -0.695 6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 28 83.908 -2.180 4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.174 -2.536 5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 28 81.834 -3.164 6.303 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.397 -2.568 4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 28 80.624 -4.794 4.191 1.00 0.00 H new ATOM 0 HE22 GLN A 28 81.805 -6.038 3.769 1.00 0.00 H new ATOM 526 N GLN A 29 85.135 0.421 5.004 1.00 0.00 N ATOM 527 CA GLN A 29 86.374 1.131 5.279 1.00 0.00 C ATOM 528 C GLN A 29 86.059 2.528 5.804 1.00 0.00 C ATOM 529 O GLN A 29 86.876 3.148 6.485 1.00 0.00 O ATOM 530 CB GLN A 29 87.243 1.203 4.012 1.00 0.00 C ATOM 531 CG GLN A 29 86.915 2.459 3.206 1.00 0.00 C ATOM 532 CD GLN A 29 87.722 3.646 3.728 1.00 0.00 C ATOM 533 OE1 GLN A 29 88.864 3.479 4.158 1.00 0.00 O ATOM 534 NE2 GLN A 29 87.196 4.840 3.724 1.00 0.00 N ATOM 0 H GLN A 29 84.938 0.260 4.016 1.00 0.00 H new ATOM 0 HA GLN A 29 86.936 0.591 6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 29 88.298 1.206 4.287 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.076 0.317 3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.139 2.293 2.152 1.00 0.00 H new ATOM 0 HG3 GLN A 29 85.849 2.676 3.275 1.00 0.00 H new ATOM 0 HE21 GLN A 29 86.250 4.979 3.368 1.00 0.00 H new ATOM 0 HE22 GLN A 29 87.730 5.634 4.077 1.00 0.00 H new ATOM 543 N ALA A 30 84.852 3.009 5.490 1.00 0.00 N ATOM 544 CA ALA A 30 84.417 4.325 5.939 1.00 0.00 C ATOM 545 C ALA A 30 83.849 4.252 7.355 1.00 0.00 C ATOM 546 O ALA A 30 83.706 5.273 8.027 1.00 0.00 O ATOM 547 CB ALA A 30 83.353 4.879 4.988 1.00 0.00 C ATOM 0 H ALA A 30 84.165 2.505 4.929 1.00 0.00 H new ATOM 0 HA ALA A 30 85.282 4.988 5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 30 83.034 5.863 5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.770 4.963 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.496 4.206 4.969 1.00 0.00 H new ATOM 553 N GLY A 31 83.520 3.041 7.801 1.00 0.00 N ATOM 554 CA GLY A 31 82.967 2.857 9.137 1.00 0.00 C ATOM 555 C GLY A 31 81.483 2.516 9.086 1.00 0.00 C ATOM 556 O GLY A 31 80.852 2.308 10.122 1.00 0.00 O ATOM 0 H GLY A 31 83.626 2.182 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.507 2.060 9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.112 3.766 9.720 1.00 0.00 H new ATOM 560 N TYR A 32 80.928 2.457 7.881 1.00 0.00 N ATOM 561 CA TYR A 32 79.522 2.139 7.711 1.00 0.00 C ATOM 562 C TYR A 32 79.372 0.766 7.075 1.00 0.00 C ATOM 563 O TYR A 32 80.219 0.328 6.300 1.00 0.00 O ATOM 564 CB TYR A 32 78.856 3.184 6.823 1.00 0.00 C ATOM 565 CG TYR A 32 79.384 4.567 7.155 1.00 0.00 C ATOM 566 CD1 TYR A 32 79.587 4.960 8.489 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.678 5.461 6.116 1.00 0.00 C ATOM 568 CE1 TYR A 32 80.076 6.237 8.776 1.00 0.00 C ATOM 569 CE2 TYR A 32 80.169 6.739 6.408 1.00 0.00 C ATOM 570 CZ TYR A 32 80.367 7.128 7.738 1.00 0.00 C ATOM 571 OH TYR A 32 80.851 8.389 8.025 1.00 0.00 O ATOM 0 H TYR A 32 81.432 2.626 7.011 1.00 0.00 H new ATOM 0 HA TYR A 32 79.042 2.137 8.690 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.047 2.956 5.774 1.00 0.00 H new ATOM 0 HB3 TYR A 32 77.775 3.156 6.964 1.00 0.00 H new ATOM 0 HD1 TYR A 32 79.365 4.274 9.293 1.00 0.00 H new ATOM 0 HD2 TYR A 32 79.526 5.163 5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 32 80.230 6.537 9.802 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.395 7.426 5.606 1.00 0.00 H new ATOM 0 HH TYR A 32 81.785 8.455 7.735 1.00 0.00 H new ATOM 581 N ARG A 33 78.292 0.090 7.424 1.00 0.00 N ATOM 582 CA ARG A 33 78.039 -1.241 6.884 1.00 0.00 C ATOM 583 C ARG A 33 77.299 -1.159 5.551 1.00 0.00 C ATOM 584 O ARG A 33 77.536 -1.965 4.650 1.00 0.00 O ATOM 585 CB ARG A 33 77.237 -2.064 7.890 1.00 0.00 C ATOM 586 CG ARG A 33 75.972 -1.299 8.296 1.00 0.00 C ATOM 587 CD ARG A 33 75.936 -1.125 9.819 1.00 0.00 C ATOM 588 NE ARG A 33 74.612 -0.695 10.248 1.00 0.00 N ATOM 589 CZ ARG A 33 73.613 -1.561 10.352 1.00 0.00 C ATOM 590 NH1 ARG A 33 73.809 -2.816 10.053 1.00 0.00 N ATOM 591 NH2 ARG A 33 72.434 -1.157 10.738 1.00 0.00 N ATOM 0 H ARG A 33 77.582 0.432 8.071 1.00 0.00 H new ATOM 0 HA ARG A 33 78.996 -1.730 6.706 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.967 -3.026 7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.845 -2.273 8.770 1.00 0.00 H new ATOM 0 HG2 ARG A 33 75.954 -0.324 7.809 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.086 -1.839 7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 33 76.196 -2.065 10.305 1.00 0.00 H new ATOM 0 HD3 ARG A 33 76.681 -0.391 10.126 1.00 0.00 H new ATOM 0 HE ARG A 33 74.451 0.287 10.472 1.00 0.00 H new ATOM 0 HH11 ARG A 33 74.728 -3.128 9.740 1.00 0.00 H new ATOM 0 HH12 ARG A 33 73.043 -3.485 10.132 1.00 0.00 H new ATOM 0 HH21 ARG A 33 72.279 -0.174 10.960 1.00 0.00 H new ATOM 0 HH22 ARG A 33 71.667 -1.825 10.817 1.00 0.00 H new ATOM 605 N ASP A 34 76.407 -0.180 5.432 1.00 0.00 N ATOM 606 CA ASP A 34 75.634 0.007 4.207 1.00 0.00 C ATOM 607 C ASP A 34 74.842 1.318 4.267 1.00 0.00 C ATOM 608 O ASP A 34 74.963 2.081 5.222 1.00 0.00 O ATOM 609 CB ASP A 34 74.691 -1.186 3.991 1.00 0.00 C ATOM 610 CG ASP A 34 74.137 -1.171 2.571 1.00 0.00 C ATOM 611 OD1 ASP A 34 74.774 -0.586 1.711 1.00 0.00 O ATOM 612 OD2 ASP A 34 73.077 -1.743 2.366 1.00 0.00 O ATOM 0 H ASP A 34 76.201 0.496 6.168 1.00 0.00 H new ATOM 0 HA ASP A 34 76.322 0.064 3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 34 75.226 -2.119 4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 34 73.872 -1.146 4.709 1.00 0.00 H new ATOM 617 N GLU A 35 74.069 1.583 3.216 1.00 0.00 N ATOM 618 CA GLU A 35 73.286 2.819 3.131 1.00 0.00 C ATOM 619 C GLU A 35 72.588 3.111 4.450 1.00 0.00 C ATOM 620 O GLU A 35 72.539 4.258 4.892 1.00 0.00 O ATOM 621 CB GLU A 35 72.250 2.686 2.016 1.00 0.00 C ATOM 622 CG GLU A 35 71.284 1.552 2.350 1.00 0.00 C ATOM 623 CD GLU A 35 70.437 1.220 1.130 1.00 0.00 C ATOM 624 OE1 GLU A 35 70.650 1.838 0.100 1.00 0.00 O ATOM 625 OE2 GLU A 35 69.590 0.349 1.240 1.00 0.00 O ATOM 0 H GLU A 35 73.967 0.963 2.413 1.00 0.00 H new ATOM 0 HA GLU A 35 73.961 3.646 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 35 71.703 3.622 1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 35 72.746 2.487 1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 35 71.840 0.670 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 35 70.642 1.842 3.182 1.00 0.00 H new ATOM 632 N ILE A 36 72.043 2.074 5.065 1.00 0.00 N ATOM 633 CA ILE A 36 71.342 2.220 6.311 1.00 0.00 C ATOM 634 C ILE A 36 72.135 3.057 7.308 1.00 0.00 C ATOM 635 O ILE A 36 71.689 4.127 7.728 1.00 0.00 O ATOM 636 CB ILE A 36 71.067 0.856 6.909 1.00 0.00 C ATOM 637 CG1 ILE A 36 72.000 -0.200 6.332 1.00 0.00 C ATOM 638 CG2 ILE A 36 69.613 0.454 6.648 1.00 0.00 C ATOM 639 CD1 ILE A 36 71.969 -1.407 7.241 1.00 0.00 C ATOM 0 H ILE A 36 72.078 1.118 4.711 1.00 0.00 H new ATOM 0 HA ILE A 36 70.404 2.735 6.104 1.00 0.00 H new ATOM 0 HB ILE A 36 71.244 0.919 7.983 1.00 0.00 H new ATOM 0 HG12 ILE A 36 71.686 -0.475 5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 36 73.014 0.191 6.254 1.00 0.00 H new ATOM 0 HG21 ILE A 36 69.424 -0.528 7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 36 68.946 1.186 7.103 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.433 0.417 5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 36 72.631 -2.177 6.846 1.00 0.00 H new ATOM 0 HD12 ILE A 36 72.301 -1.120 8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 36 70.952 -1.796 7.295 1.00 0.00 H new ATOM 651 N GLU A 37 73.298 2.551 7.705 1.00 0.00 N ATOM 652 CA GLU A 37 74.132 3.242 8.681 1.00 0.00 C ATOM 653 C GLU A 37 74.622 4.572 8.136 1.00 0.00 C ATOM 654 O GLU A 37 74.688 5.563 8.864 1.00 0.00 O ATOM 655 CB GLU A 37 75.352 2.383 9.049 1.00 0.00 C ATOM 656 CG GLU A 37 75.990 2.898 10.348 1.00 0.00 C ATOM 657 CD GLU A 37 76.723 4.210 10.094 1.00 0.00 C ATOM 658 OE1 GLU A 37 77.073 4.458 8.954 1.00 0.00 O ATOM 659 OE2 GLU A 37 76.927 4.943 11.047 1.00 0.00 O ATOM 0 H GLU A 37 73.683 1.669 7.368 1.00 0.00 H new ATOM 0 HA GLU A 37 73.521 3.418 9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.050 1.343 9.171 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.083 2.410 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.220 3.044 11.106 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.685 2.155 10.739 1.00 0.00 H new ATOM 666 N TYR A 38 75.000 4.584 6.863 1.00 0.00 N ATOM 667 CA TYR A 38 75.520 5.801 6.265 1.00 0.00 C ATOM 668 C TYR A 38 74.480 6.918 6.338 1.00 0.00 C ATOM 669 O TYR A 38 74.763 8.029 6.781 1.00 0.00 O ATOM 670 CB TYR A 38 75.814 5.582 4.784 1.00 0.00 C ATOM 671 CG TYR A 38 76.249 6.880 4.108 1.00 0.00 C ATOM 672 CD1 TYR A 38 76.703 8.009 4.841 1.00 0.00 C ATOM 673 CD2 TYR A 38 76.235 6.938 2.712 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.099 9.158 4.175 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.632 8.106 2.053 1.00 0.00 C ATOM 676 CZ TYR A 38 77.056 9.218 2.786 1.00 0.00 C ATOM 677 OH TYR A 38 77.446 10.369 2.137 1.00 0.00 O ATOM 0 H TYR A 38 74.957 3.780 6.237 1.00 0.00 H new ATOM 0 HA TYR A 38 76.424 6.069 6.811 1.00 0.00 H new ATOM 0 HB2 TYR A 38 76.597 4.832 4.673 1.00 0.00 H new ATOM 0 HB3 TYR A 38 74.925 5.191 4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 38 76.740 7.972 5.920 1.00 0.00 H new ATOM 0 HD2 TYR A 38 75.917 6.079 2.140 1.00 0.00 H new ATOM 0 HE1 TYR A 38 77.443 10.013 4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 38 76.611 8.149 0.974 1.00 0.00 H new ATOM 0 HH TYR A 38 77.357 10.245 1.169 1.00 0.00 H new ATOM 687 N LYS A 39 73.268 6.618 5.883 1.00 0.00 N ATOM 688 CA LYS A 39 72.210 7.606 5.870 1.00 0.00 C ATOM 689 C LYS A 39 71.963 8.140 7.260 1.00 0.00 C ATOM 690 O LYS A 39 71.726 9.327 7.436 1.00 0.00 O ATOM 691 CB LYS A 39 70.921 6.984 5.327 1.00 0.00 C ATOM 692 CG LYS A 39 71.021 6.809 3.809 1.00 0.00 C ATOM 693 CD LYS A 39 70.154 5.624 3.366 1.00 0.00 C ATOM 694 CE LYS A 39 68.708 5.847 3.808 1.00 0.00 C ATOM 695 NZ LYS A 39 68.465 5.115 5.083 1.00 0.00 N ATOM 0 H LYS A 39 73.001 5.702 5.522 1.00 0.00 H new ATOM 0 HA LYS A 39 72.518 8.429 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 39 70.746 6.019 5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.070 7.619 5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 39 70.694 7.719 3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.059 6.641 3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.200 5.513 2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 39 70.537 4.699 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 39 68.517 6.911 3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 39 68.022 5.496 3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 67.496 4.738 5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.142 4.330 5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 68.587 5.765 5.885 1.00 0.00 H new ATOM 709 N GLN A 40 72.013 7.266 8.246 1.00 0.00 N ATOM 710 CA GLN A 40 71.785 7.684 9.615 1.00 0.00 C ATOM 711 C GLN A 40 72.823 8.720 10.042 1.00 0.00 C ATOM 712 O GLN A 40 72.496 9.705 10.701 1.00 0.00 O ATOM 713 CB GLN A 40 71.871 6.470 10.542 1.00 0.00 C ATOM 714 CG GLN A 40 71.510 6.884 11.968 1.00 0.00 C ATOM 715 CD GLN A 40 72.697 6.644 12.893 1.00 0.00 C ATOM 716 OE1 GLN A 40 73.679 7.384 12.845 1.00 0.00 O ATOM 717 NE2 GLN A 40 72.667 5.647 13.733 1.00 0.00 N ATOM 0 H GLN A 40 72.207 6.272 8.127 1.00 0.00 H new ATOM 0 HA GLN A 40 70.794 8.132 9.681 1.00 0.00 H new ATOM 0 HB2 GLN A 40 71.194 5.689 10.197 1.00 0.00 H new ATOM 0 HB3 GLN A 40 72.878 6.053 10.518 1.00 0.00 H new ATOM 0 HG2 GLN A 40 71.227 7.936 11.990 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.647 6.315 12.314 1.00 0.00 H new ATOM 0 HE21 GLN A 40 71.851 5.036 13.770 1.00 0.00 H new ATOM 0 HE22 GLN A 40 73.459 5.479 14.353 1.00 0.00 H new ATOM 726 N VAL A 41 74.079 8.490 9.672 1.00 0.00 N ATOM 727 CA VAL A 41 75.152 9.402 10.051 1.00 0.00 C ATOM 728 C VAL A 41 74.908 10.809 9.523 1.00 0.00 C ATOM 729 O VAL A 41 75.060 11.786 10.256 1.00 0.00 O ATOM 730 CB VAL A 41 76.482 8.888 9.497 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.572 9.939 9.723 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.860 7.589 10.209 1.00 0.00 C ATOM 0 H VAL A 41 74.377 7.688 9.116 1.00 0.00 H new ATOM 0 HA VAL A 41 75.182 9.444 11.140 1.00 0.00 H new ATOM 0 HB VAL A 41 76.384 8.699 8.428 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.519 9.572 9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.299 10.862 9.212 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.675 10.133 10.791 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.808 7.221 9.816 1.00 0.00 H new ATOM 0 HG22 VAL A 41 76.959 7.776 11.278 1.00 0.00 H new ATOM 0 HG23 VAL A 41 76.083 6.843 10.041 1.00 0.00 H new ATOM 742 N LYS A 42 74.529 10.910 8.256 1.00 0.00 N ATOM 743 CA LYS A 42 74.270 12.213 7.655 1.00 0.00 C ATOM 744 C LYS A 42 72.772 12.476 7.552 1.00 0.00 C ATOM 745 O LYS A 42 72.354 13.494 7.003 1.00 0.00 O ATOM 746 CB LYS A 42 74.898 12.293 6.262 1.00 0.00 C ATOM 747 CG LYS A 42 76.411 12.080 6.338 1.00 0.00 C ATOM 748 CD LYS A 42 77.057 13.178 7.183 1.00 0.00 C ATOM 749 CE LYS A 42 78.515 13.345 6.753 1.00 0.00 C ATOM 750 NZ LYS A 42 79.233 12.052 6.919 1.00 0.00 N ATOM 0 H LYS A 42 74.395 10.116 7.630 1.00 0.00 H new ATOM 0 HA LYS A 42 74.718 12.972 8.297 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.452 11.540 5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 42 74.684 13.265 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.627 11.103 6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 42 76.837 12.085 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.517 14.117 7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.004 12.920 8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.564 13.669 5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.995 14.119 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.011 12.172 7.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.572 11.331 7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.618 11.749 6.002 1.00 0.00 H new ATOM 764 N GLN A 43 71.967 11.561 8.077 1.00 0.00 N ATOM 765 CA GLN A 43 70.520 11.728 8.019 1.00 0.00 C ATOM 766 C GLN A 43 70.078 12.113 6.606 1.00 0.00 C ATOM 767 O GLN A 43 69.348 13.087 6.423 1.00 0.00 O ATOM 768 CB GLN A 43 70.079 12.803 9.013 1.00 0.00 C ATOM 769 CG GLN A 43 70.430 12.366 10.439 1.00 0.00 C ATOM 770 CD GLN A 43 69.637 11.117 10.815 1.00 0.00 C ATOM 771 OE1 GLN A 43 68.334 11.151 10.782 1.00 0.00 O flip ATOM 772 NE2 GLN A 43 70.218 10.083 11.141 1.00 0.00 N flip ATOM 0 H GLN A 43 72.284 10.709 8.540 1.00 0.00 H new ATOM 0 HA GLN A 43 70.051 10.780 8.283 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.569 13.749 8.781 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.005 12.971 8.928 1.00 0.00 H new ATOM 0 HG2 GLN A 43 71.499 12.164 10.513 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.209 13.171 11.139 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.237 10.057 11.167 1.00 0.00 H new ATOM 0 HE22 GLN A 43 69.680 9.251 11.386 1.00 0.00 H new ATOM 781 N VAL A 44 70.522 11.340 5.615 1.00 0.00 N ATOM 782 CA VAL A 44 70.168 11.601 4.217 1.00 0.00 C ATOM 783 C VAL A 44 69.535 10.368 3.589 1.00 0.00 C ATOM 784 O VAL A 44 69.245 9.392 4.278 1.00 0.00 O ATOM 785 CB VAL A 44 71.409 11.993 3.409 1.00 0.00 C ATOM 786 CG1 VAL A 44 71.999 13.296 3.948 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.455 10.884 3.521 1.00 0.00 C ATOM 0 H VAL A 44 71.126 10.530 5.752 1.00 0.00 H new ATOM 0 HA VAL A 44 69.454 12.424 4.202 1.00 0.00 H new ATOM 0 HB VAL A 44 71.124 12.134 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 44 72.881 13.564 3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 44 71.257 14.091 3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.281 13.163 4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.340 11.159 2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.729 10.747 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 44 72.043 9.954 3.129 1.00 0.00 H new ATOM 797 N ALA A 45 69.310 10.425 2.279 1.00 0.00 N ATOM 798 CA ALA A 45 68.697 9.306 1.572 1.00 0.00 C ATOM 799 C ALA A 45 69.432 9.018 0.265 1.00 0.00 C ATOM 800 O ALA A 45 69.546 7.866 -0.154 1.00 0.00 O ATOM 801 CB ALA A 45 67.234 9.630 1.275 1.00 0.00 C ATOM 0 H ALA A 45 69.541 11.226 1.691 1.00 0.00 H new ATOM 0 HA ALA A 45 68.760 8.421 2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.776 8.794 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.702 9.803 2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 45 67.178 10.525 0.655 1.00 0.00 H new ATOM 807 N MET A 46 69.922 10.072 -0.377 1.00 0.00 N ATOM 808 CA MET A 46 70.637 9.921 -1.638 1.00 0.00 C ATOM 809 C MET A 46 72.148 9.924 -1.413 1.00 0.00 C ATOM 810 O MET A 46 72.646 10.589 -0.504 1.00 0.00 O ATOM 811 CB MET A 46 70.254 11.065 -2.587 1.00 0.00 C ATOM 812 CG MET A 46 70.657 12.405 -1.965 1.00 0.00 C ATOM 813 SD MET A 46 70.151 13.756 -3.057 1.00 0.00 S ATOM 814 CE MET A 46 70.914 15.099 -2.115 1.00 0.00 C ATOM 0 H MET A 46 69.838 11.034 -0.048 1.00 0.00 H new ATOM 0 HA MET A 46 70.357 8.965 -2.081 1.00 0.00 H new ATOM 0 HB2 MET A 46 70.751 10.935 -3.549 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.181 11.049 -2.778 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.189 12.519 -0.987 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.735 12.435 -1.808 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.725 16.048 -2.616 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.489 15.127 -1.112 1.00 0.00 H new ATOM 0 HE3 MET A 46 71.989 14.932 -2.049 1.00 0.00 H new ATOM 824 N VAL A 47 72.868 9.181 -2.250 1.00 0.00 N ATOM 825 CA VAL A 47 74.322 9.103 -2.146 1.00 0.00 C ATOM 826 C VAL A 47 74.955 9.681 -3.403 1.00 0.00 C ATOM 827 O VAL A 47 74.518 9.389 -4.516 1.00 0.00 O ATOM 828 CB VAL A 47 74.763 7.648 -1.978 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.281 7.580 -1.796 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.057 7.051 -0.763 1.00 0.00 C ATOM 0 H VAL A 47 72.469 8.625 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 47 74.644 9.675 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 47 74.496 7.078 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 47 76.587 6.541 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 47 76.772 8.005 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.567 8.146 -0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 47 74.366 6.013 -0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.322 7.620 0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 47 72.978 7.093 -0.912 1.00 0.00 H new ATOM 840 N ASP A 48 75.977 10.508 -3.229 1.00 0.00 N ATOM 841 CA ASP A 48 76.651 11.121 -4.363 1.00 0.00 C ATOM 842 C ASP A 48 77.490 10.085 -5.105 1.00 0.00 C ATOM 843 O ASP A 48 78.374 9.460 -4.518 1.00 0.00 O ATOM 844 CB ASP A 48 77.558 12.239 -3.856 1.00 0.00 C ATOM 845 CG ASP A 48 76.713 13.373 -3.291 1.00 0.00 C ATOM 846 OD1 ASP A 48 75.556 13.465 -3.663 1.00 0.00 O ATOM 847 OD2 ASP A 48 77.233 14.127 -2.484 1.00 0.00 O ATOM 0 H ASP A 48 76.355 10.768 -2.318 1.00 0.00 H new ATOM 0 HA ASP A 48 75.905 11.524 -5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.229 11.855 -3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.183 12.609 -4.669 1.00 0.00 H new ATOM 852 N ARG A 49 77.216 9.908 -6.396 1.00 0.00 N ATOM 853 CA ARG A 49 77.963 8.941 -7.195 1.00 0.00 C ATOM 854 C ARG A 49 78.236 9.502 -8.588 1.00 0.00 C ATOM 855 O ARG A 49 77.604 10.477 -9.001 1.00 0.00 O ATOM 856 CB ARG A 49 77.168 7.643 -7.324 1.00 0.00 C ATOM 857 CG ARG A 49 76.597 7.251 -5.962 1.00 0.00 C ATOM 858 CD ARG A 49 76.297 5.756 -5.938 1.00 0.00 C ATOM 859 NE ARG A 49 75.439 5.441 -4.804 1.00 0.00 N ATOM 860 CZ ARG A 49 75.302 4.193 -4.372 1.00 0.00 C ATOM 861 NH1 ARG A 49 75.966 3.227 -4.944 1.00 0.00 N ATOM 862 NH2 ARG A 49 74.508 3.938 -3.370 1.00 0.00 N ATOM 0 H ARG A 49 76.492 10.415 -6.905 1.00 0.00 H new ATOM 0 HA ARG A 49 78.911 8.741 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 49 76.360 7.770 -8.045 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.810 6.848 -7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.307 7.501 -5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 49 75.687 7.817 -5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 49 75.810 5.459 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 49 77.226 5.191 -5.870 1.00 0.00 H new ATOM 0 HE ARG A 49 74.935 6.192 -4.333 1.00 0.00 H new ATOM 0 HH11 ARG A 49 76.591 3.430 -5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 49 75.860 2.269 -4.611 1.00 0.00 H new ATOM 0 HH21 ARG A 49 73.994 4.696 -2.921 1.00 0.00 H new ATOM 0 HH22 ARG A 49 74.400 2.980 -3.036 1.00 0.00 H new ATOM 876 N TRP A 50 79.175 8.893 -9.314 1.00 0.00 N ATOM 877 CA TRP A 50 79.490 9.371 -10.655 1.00 0.00 C ATOM 878 C TRP A 50 78.618 8.678 -11.702 1.00 0.00 C ATOM 879 O TRP A 50 78.377 7.485 -11.601 1.00 0.00 O ATOM 880 CB TRP A 50 80.957 9.120 -10.994 1.00 0.00 C ATOM 881 CG TRP A 50 81.814 9.918 -10.076 1.00 0.00 C ATOM 882 CD1 TRP A 50 82.280 9.505 -8.875 1.00 0.00 C ATOM 883 CD2 TRP A 50 82.305 11.271 -10.263 1.00 0.00 C ATOM 884 NE1 TRP A 50 83.030 10.527 -8.317 1.00 0.00 N ATOM 885 CE2 TRP A 50 83.080 11.629 -9.140 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.157 12.214 -11.293 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.690 12.875 -9.038 1.00 0.00 C ATOM 888 CZ3 TRP A 50 82.763 13.475 -11.192 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.531 13.803 -10.065 1.00 0.00 C ATOM 0 H TRP A 50 79.718 8.087 -9.003 1.00 0.00 H new ATOM 0 HA TRP A 50 79.292 10.443 -10.669 1.00 0.00 H new ATOM 0 HB2 TRP A 50 81.189 8.059 -10.897 1.00 0.00 H new ATOM 0 HB3 TRP A 50 81.156 9.397 -12.029 1.00 0.00 H new ATOM 0 HD1 TRP A 50 82.098 8.540 -8.426 1.00 0.00 H new ATOM 0 HE1 TRP A 50 83.489 10.470 -7.408 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.573 11.967 -12.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 84.282 13.121 -8.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 82.638 14.197 -11.986 1.00 0.00 H new ATOM 0 HH2 TRP A 50 83.999 14.774 -9.993 1.00 0.00 H new ATOM 900 N PRO A 51 78.152 9.384 -12.707 1.00 0.00 N ATOM 901 CA PRO A 51 77.290 8.778 -13.773 1.00 0.00 C ATOM 902 C PRO A 51 78.027 7.741 -14.617 1.00 0.00 C ATOM 903 O PRO A 51 77.411 6.824 -15.164 1.00 0.00 O ATOM 904 CB PRO A 51 76.892 9.978 -14.635 1.00 0.00 C ATOM 905 CG PRO A 51 77.963 10.986 -14.402 1.00 0.00 C ATOM 906 CD PRO A 51 78.387 10.817 -12.959 1.00 0.00 C ATOM 0 HA PRO A 51 76.445 8.239 -13.344 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.828 9.705 -15.688 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.915 10.365 -14.347 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.804 10.826 -15.077 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.595 11.996 -14.585 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.433 11.086 -12.812 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.799 11.446 -12.290 1.00 0.00 H new ATOM 914 N GLU A 52 79.339 7.909 -14.745 1.00 0.00 N ATOM 915 CA GLU A 52 80.123 6.994 -15.564 1.00 0.00 C ATOM 916 C GLU A 52 79.967 5.564 -15.079 1.00 0.00 C ATOM 917 O GLU A 52 79.694 4.661 -15.872 1.00 0.00 O ATOM 918 CB GLU A 52 81.602 7.378 -15.501 1.00 0.00 C ATOM 919 CG GLU A 52 81.836 8.652 -16.303 1.00 0.00 C ATOM 920 CD GLU A 52 83.309 9.030 -16.244 1.00 0.00 C ATOM 921 OE1 GLU A 52 84.091 8.401 -16.937 1.00 0.00 O ATOM 922 OE2 GLU A 52 83.637 9.938 -15.499 1.00 0.00 O ATOM 0 H GLU A 52 79.873 8.656 -14.301 1.00 0.00 H new ATOM 0 HA GLU A 52 79.760 7.064 -16.590 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.905 7.528 -14.465 1.00 0.00 H new ATOM 0 HB3 GLU A 52 82.215 6.569 -15.898 1.00 0.00 H new ATOM 0 HG2 GLU A 52 81.530 8.503 -17.338 1.00 0.00 H new ATOM 0 HG3 GLU A 52 81.226 9.462 -15.904 1.00 0.00 H new ATOM 929 N THR A 53 80.156 5.355 -13.782 1.00 0.00 N ATOM 930 CA THR A 53 80.048 4.017 -13.216 1.00 0.00 C ATOM 931 C THR A 53 78.952 3.938 -12.157 1.00 0.00 C ATOM 932 O THR A 53 78.382 2.872 -11.930 1.00 0.00 O ATOM 933 CB THR A 53 81.378 3.631 -12.580 1.00 0.00 C ATOM 934 OG1 THR A 53 81.680 4.551 -11.541 1.00 0.00 O ATOM 935 CG2 THR A 53 82.495 3.664 -13.629 1.00 0.00 C ATOM 0 H THR A 53 80.383 6.087 -13.108 1.00 0.00 H new ATOM 0 HA THR A 53 79.792 3.331 -14.024 1.00 0.00 H new ATOM 0 HB THR A 53 81.303 2.622 -12.175 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.660 4.088 -10.678 1.00 0.00 H new ATOM 0 HG21 THR A 53 83.440 3.386 -13.163 1.00 0.00 H new ATOM 0 HG22 THR A 53 82.264 2.960 -14.428 1.00 0.00 H new ATOM 0 HG23 THR A 53 82.576 4.669 -14.043 1.00 0.00 H new ATOM 943 N GLY A 54 78.667 5.053 -11.495 1.00 0.00 N ATOM 944 CA GLY A 54 77.644 5.048 -10.451 1.00 0.00 C ATOM 945 C GLY A 54 78.252 4.735 -9.089 1.00 0.00 C ATOM 946 O GLY A 54 77.529 4.443 -8.139 1.00 0.00 O ATOM 0 H GLY A 54 79.117 5.954 -11.655 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.149 6.019 -10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.880 4.309 -10.690 1.00 0.00 H new ATOM 950 N TYR A 55 79.578 4.799 -8.987 1.00 0.00 N ATOM 951 CA TYR A 55 80.234 4.507 -7.712 1.00 0.00 C ATOM 952 C TYR A 55 80.267 5.738 -6.818 1.00 0.00 C ATOM 953 O TYR A 55 80.168 6.868 -7.294 1.00 0.00 O ATOM 954 CB TYR A 55 81.660 3.986 -7.921 1.00 0.00 C ATOM 955 CG TYR A 55 81.646 2.625 -8.598 1.00 0.00 C ATOM 956 CD1 TYR A 55 80.899 1.558 -8.070 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.390 2.430 -9.765 1.00 0.00 C ATOM 958 CE1 TYR A 55 80.900 0.319 -8.714 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.389 1.186 -10.407 1.00 0.00 C ATOM 960 CZ TYR A 55 81.642 0.131 -9.883 1.00 0.00 C ATOM 961 OH TYR A 55 81.633 -1.097 -10.519 1.00 0.00 O ATOM 0 H TYR A 55 80.208 5.044 -9.751 1.00 0.00 H new ATOM 0 HA TYR A 55 79.648 3.729 -7.223 1.00 0.00 H new ATOM 0 HB2 TYR A 55 82.225 4.693 -8.529 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.170 3.914 -6.960 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.324 1.696 -7.166 1.00 0.00 H new ATOM 0 HD2 TYR A 55 82.969 3.244 -10.174 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.324 -0.499 -8.306 1.00 0.00 H new ATOM 0 HE2 TYR A 55 82.967 1.043 -11.308 1.00 0.00 H new ATOM 0 HH TYR A 55 82.532 -1.486 -10.491 1.00 0.00 H new ATOM 971 N VAL A 56 80.390 5.494 -5.513 1.00 0.00 N ATOM 972 CA VAL A 56 80.416 6.575 -4.537 1.00 0.00 C ATOM 973 C VAL A 56 81.546 7.544 -4.848 1.00 0.00 C ATOM 974 O VAL A 56 82.706 7.146 -4.970 1.00 0.00 O ATOM 975 CB VAL A 56 80.610 5.997 -3.133 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.506 7.112 -2.092 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.532 4.950 -2.853 1.00 0.00 C ATOM 0 H VAL A 56 80.473 4.560 -5.112 1.00 0.00 H new ATOM 0 HA VAL A 56 79.468 7.112 -4.584 1.00 0.00 H new ATOM 0 HB VAL A 56 81.596 5.535 -3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.645 6.693 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.276 7.860 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.523 7.579 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.673 4.541 -1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.548 5.414 -2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.605 4.147 -3.587 1.00 0.00 H new ATOM 987 N LYS A 57 81.196 8.819 -4.968 1.00 0.00 N ATOM 988 CA LYS A 57 82.184 9.852 -5.255 1.00 0.00 C ATOM 989 C LYS A 57 82.998 10.192 -4.015 1.00 0.00 C ATOM 990 O LYS A 57 84.229 10.201 -4.047 1.00 0.00 O ATOM 991 CB LYS A 57 81.481 11.106 -5.766 1.00 0.00 C ATOM 992 CG LYS A 57 82.481 12.266 -5.793 1.00 0.00 C ATOM 993 CD LYS A 57 81.949 13.409 -6.659 1.00 0.00 C ATOM 994 CE LYS A 57 80.811 14.135 -5.953 1.00 0.00 C ATOM 995 NZ LYS A 57 81.275 14.640 -4.630 1.00 0.00 N ATOM 0 H LYS A 57 80.240 9.161 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 57 82.864 9.472 -6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 57 81.080 10.932 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.637 11.352 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.661 12.623 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.438 11.920 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 57 82.754 14.111 -6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 57 81.599 13.016 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.462 14.965 -6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 57 79.966 13.460 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 80.922 15.607 -4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 80.913 14.022 -3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 82.315 14.644 -4.605 1.00 0.00 H new ATOM 1009 N LYS A 58 82.302 10.477 -2.924 1.00 0.00 N ATOM 1010 CA LYS A 58 82.973 10.822 -1.683 1.00 0.00 C ATOM 1011 C LYS A 58 82.217 10.247 -0.498 1.00 0.00 C ATOM 1012 O LYS A 58 80.987 10.171 -0.511 1.00 0.00 O ATOM 1013 CB LYS A 58 83.062 12.348 -1.549 1.00 0.00 C ATOM 1014 CG LYS A 58 81.654 12.944 -1.436 1.00 0.00 C ATOM 1015 CD LYS A 58 81.746 14.471 -1.413 1.00 0.00 C ATOM 1016 CE LYS A 58 80.345 15.063 -1.247 1.00 0.00 C ATOM 1017 NZ LYS A 58 79.799 14.674 0.085 1.00 0.00 N ATOM 0 H LYS A 58 81.283 10.476 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 58 83.978 10.400 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.650 12.611 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.576 12.768 -2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.041 12.619 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.167 12.585 -0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.389 14.795 -0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.198 14.833 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 58 80.384 16.149 -1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.690 14.703 -2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 79.041 15.332 0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 79.417 13.708 0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 80.558 14.710 0.795 1.00 0.00 H new ATOM 1031 N LEU A 59 82.954 9.844 0.527 1.00 0.00 N ATOM 1032 CA LEU A 59 82.328 9.281 1.712 1.00 0.00 C ATOM 1033 C LEU A 59 83.126 9.653 2.954 1.00 0.00 C ATOM 1034 O LEU A 59 84.346 9.473 3.004 1.00 0.00 O ATOM 1035 CB LEU A 59 82.268 7.756 1.589 1.00 0.00 C ATOM 1036 CG LEU A 59 80.970 7.202 2.134 1.00 0.00 C ATOM 1037 CD1 LEU A 59 79.767 7.789 1.394 1.00 0.00 C ATOM 1038 CD2 LEU A 59 80.952 5.680 1.987 1.00 0.00 C ATOM 0 H LEU A 59 83.972 9.895 0.562 1.00 0.00 H new ATOM 0 HA LEU A 59 81.319 9.683 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.375 7.471 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.107 7.314 2.127 1.00 0.00 H new ATOM 0 HG LEU A 59 80.903 7.477 3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 59 78.848 7.373 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 59 79.760 8.873 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 59 79.834 7.540 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 59 80.015 5.287 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 59 81.042 5.415 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 59 81.787 5.251 2.541 1.00 0.00 H new ATOM 1050 N GLN A 60 82.428 10.170 3.955 1.00 0.00 N ATOM 1051 CA GLN A 60 83.075 10.565 5.198 1.00 0.00 C ATOM 1052 C GLN A 60 83.317 9.351 6.088 1.00 0.00 C ATOM 1053 O GLN A 60 82.434 8.511 6.263 1.00 0.00 O ATOM 1054 CB GLN A 60 82.202 11.559 5.950 1.00 0.00 C ATOM 1055 CG GLN A 60 83.024 12.219 7.057 1.00 0.00 C ATOM 1056 CD GLN A 60 82.094 12.815 8.108 1.00 0.00 C ATOM 1057 OE1 GLN A 60 81.082 12.207 8.459 1.00 0.00 O ATOM 1058 NE2 GLN A 60 82.387 13.962 8.649 1.00 0.00 N ATOM 0 H GLN A 60 81.420 10.325 3.932 1.00 0.00 H new ATOM 0 HA GLN A 60 84.031 11.026 4.949 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.820 12.316 5.265 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.338 11.051 6.377 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.685 11.485 7.518 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.658 12.999 6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 60 83.225 14.464 8.357 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.778 14.359 9.365 1.00 0.00 H new ATOM 1067 N ARG A 61 84.519 9.264 6.638 1.00 0.00 N ATOM 1068 CA ARG A 61 84.869 8.140 7.497 1.00 0.00 C ATOM 1069 C ARG A 61 84.237 8.294 8.881 1.00 0.00 C ATOM 1070 O ARG A 61 83.686 9.342 9.215 1.00 0.00 O ATOM 1071 CB ARG A 61 86.387 8.030 7.639 1.00 0.00 C ATOM 1072 CG ARG A 61 87.042 8.257 6.276 1.00 0.00 C ATOM 1073 CD ARG A 61 88.168 7.242 6.069 1.00 0.00 C ATOM 1074 NE ARG A 61 89.056 7.217 7.225 1.00 0.00 N ATOM 1075 CZ ARG A 61 89.900 6.206 7.419 1.00 0.00 C ATOM 1076 NH1 ARG A 61 89.946 5.221 6.562 1.00 0.00 N ATOM 1077 NH2 ARG A 61 90.681 6.195 8.464 1.00 0.00 N ATOM 0 H ARG A 61 85.262 9.950 6.508 1.00 0.00 H new ATOM 0 HA ARG A 61 84.484 7.232 7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.750 8.766 8.357 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.657 7.047 8.025 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.300 8.158 5.484 1.00 0.00 H new ATOM 0 HG3 ARG A 61 87.438 9.271 6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 61 87.746 6.250 5.907 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.735 7.497 5.174 1.00 0.00 H new ATOM 0 HE ARG A 61 89.030 7.986 7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 61 89.335 5.227 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 61 90.592 4.446 6.710 1.00 0.00 H new ATOM 0 HH21 ARG A 61 90.646 6.962 9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 61 91.327 5.419 8.610 1.00 0.00 H new ATOM 1091 N ARG A 62 84.337 7.240 9.684 1.00 0.00 N ATOM 1092 CA ARG A 62 83.786 7.271 11.036 1.00 0.00 C ATOM 1093 C ARG A 62 84.574 8.247 11.897 1.00 0.00 C ATOM 1094 O ARG A 62 84.181 8.559 13.019 1.00 0.00 O ATOM 1095 CB ARG A 62 83.832 5.881 11.673 1.00 0.00 C ATOM 1096 CG ARG A 62 82.404 5.369 11.872 1.00 0.00 C ATOM 1097 CD ARG A 62 82.441 3.970 12.486 1.00 0.00 C ATOM 1098 NE ARG A 62 81.146 3.318 12.335 1.00 0.00 N ATOM 1099 CZ ARG A 62 80.961 2.058 12.719 1.00 0.00 C ATOM 1100 NH1 ARG A 62 81.948 1.388 13.247 1.00 0.00 N ATOM 1101 NH2 ARG A 62 79.796 1.493 12.565 1.00 0.00 N ATOM 0 H ARG A 62 84.789 6.362 9.427 1.00 0.00 H new ATOM 0 HA ARG A 62 82.747 7.595 10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 62 84.391 5.195 11.037 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.352 5.924 12.630 1.00 0.00 H new ATOM 0 HG2 ARG A 62 81.851 6.048 12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 62 81.880 5.344 10.917 1.00 0.00 H new ATOM 0 HD2 ARG A 62 83.215 3.374 12.003 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.702 4.036 13.542 1.00 0.00 H new ATOM 0 HE ARG A 62 80.368 3.837 11.928 1.00 0.00 H new ATOM 0 HH11 ARG A 62 82.859 1.830 13.365 1.00 0.00 H new ATOM 0 HH12 ARG A 62 81.808 0.422 13.542 1.00 0.00 H new ATOM 0 HH21 ARG A 62 79.026 2.017 12.150 1.00 0.00 H new ATOM 0 HH22 ARG A 62 79.655 0.527 12.860 1.00 0.00 H new ATOM 1115 N ASP A 63 85.693 8.720 11.361 1.00 0.00 N ATOM 1116 CA ASP A 63 86.540 9.653 12.086 1.00 0.00 C ATOM 1117 C ASP A 63 86.263 11.090 11.659 1.00 0.00 C ATOM 1118 O ASP A 63 87.057 11.983 11.952 1.00 0.00 O ATOM 1119 CB ASP A 63 88.011 9.320 11.858 1.00 0.00 C ATOM 1120 CG ASP A 63 88.369 8.016 12.566 1.00 0.00 C ATOM 1121 OD1 ASP A 63 87.603 7.596 13.419 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.404 7.456 12.244 1.00 0.00 O ATOM 0 H ASP A 63 86.032 8.473 10.431 1.00 0.00 H new ATOM 0 HA ASP A 63 86.311 9.559 13.148 1.00 0.00 H new ATOM 0 HB2 ASP A 63 88.210 9.230 10.790 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.638 10.130 12.232 1.00 0.00 H new ATOM 1127 N ASN A 64 85.146 11.308 10.959 1.00 0.00 N ATOM 1128 CA ASN A 64 84.777 12.643 10.494 1.00 0.00 C ATOM 1129 C ASN A 64 85.796 13.183 9.502 1.00 0.00 C ATOM 1130 O ASN A 64 86.102 14.374 9.500 1.00 0.00 O ATOM 1131 CB ASN A 64 84.640 13.610 11.671 1.00 0.00 C ATOM 1132 CG ASN A 64 83.610 13.084 12.660 1.00 0.00 C ATOM 1133 OD1 ASN A 64 82.641 12.434 12.269 1.00 0.00 O ATOM 1134 ND2 ASN A 64 83.759 13.350 13.924 1.00 0.00 N ATOM 0 H ASN A 64 84.483 10.576 10.703 1.00 0.00 H new ATOM 0 HA ASN A 64 83.814 12.558 9.990 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.603 13.731 12.167 1.00 0.00 H new ATOM 0 HB3 ASN A 64 84.341 14.594 11.311 1.00 0.00 H new ATOM 0 HD21 ASN A 64 83.070 13.019 14.599 1.00 0.00 H new ATOM 0 HD22 ASN A 64 84.565 13.889 14.240 1.00 0.00 H new ATOM 1141 N THR A 65 86.300 12.296 8.650 1.00 0.00 N ATOM 1142 CA THR A 65 87.269 12.689 7.634 1.00 0.00 C ATOM 1143 C THR A 65 86.732 12.386 6.240 1.00 0.00 C ATOM 1144 O THR A 65 86.263 11.280 5.973 1.00 0.00 O ATOM 1145 CB THR A 65 88.582 11.936 7.853 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.315 10.548 7.992 1.00 0.00 O ATOM 1147 CG2 THR A 65 89.262 12.460 9.115 1.00 0.00 C ATOM 0 H THR A 65 86.055 11.306 8.643 1.00 0.00 H new ATOM 0 HA THR A 65 87.446 13.761 7.717 1.00 0.00 H new ATOM 0 HB THR A 65 89.240 12.091 6.998 1.00 0.00 H new ATOM 0 HG1 THR A 65 89.157 10.065 8.131 1.00 0.00 H new ATOM 0 HG21 THR A 65 90.198 11.925 9.273 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.467 13.525 9.002 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.607 12.306 9.972 1.00 0.00 H new ATOM 1155 N PHE A 66 86.800 13.377 5.353 1.00 0.00 N ATOM 1156 CA PHE A 66 86.310 13.197 3.991 1.00 0.00 C ATOM 1157 C PHE A 66 87.264 12.315 3.199 1.00 0.00 C ATOM 1158 O PHE A 66 88.440 12.642 3.045 1.00 0.00 O ATOM 1159 CB PHE A 66 86.185 14.556 3.293 1.00 0.00 C ATOM 1160 CG PHE A 66 84.932 15.257 3.756 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.680 14.783 3.350 1.00 0.00 C ATOM 1162 CD2 PHE A 66 85.018 16.383 4.587 1.00 0.00 C ATOM 1163 CE1 PHE A 66 82.514 15.430 3.772 1.00 0.00 C ATOM 1164 CE2 PHE A 66 83.852 17.031 5.008 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.600 16.555 4.600 1.00 0.00 C ATOM 0 H PHE A 66 87.185 14.301 5.550 1.00 0.00 H new ATOM 0 HA PHE A 66 85.331 12.719 4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 66 87.058 15.170 3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 66 86.157 14.418 2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.614 13.916 2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 66 85.984 16.750 4.902 1.00 0.00 H new ATOM 0 HE1 PHE A 66 81.548 15.062 3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 66 83.917 17.899 5.648 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.700 17.056 4.924 1.00 0.00 H new ATOM 1175 N PHE A 67 86.746 11.196 2.701 1.00 0.00 N ATOM 1176 CA PHE A 67 87.557 10.270 1.925 1.00 0.00 C ATOM 1177 C PHE A 67 86.996 10.136 0.517 1.00 0.00 C ATOM 1178 O PHE A 67 85.885 9.639 0.325 1.00 0.00 O ATOM 1179 CB PHE A 67 87.564 8.899 2.605 1.00 0.00 C ATOM 1180 CG PHE A 67 88.643 8.041 1.992 1.00 0.00 C ATOM 1181 CD1 PHE A 67 88.367 7.255 0.868 1.00 0.00 C ATOM 1182 CD2 PHE A 67 89.927 8.039 2.550 1.00 0.00 C ATOM 1183 CE1 PHE A 67 89.376 6.463 0.303 1.00 0.00 C ATOM 1184 CE2 PHE A 67 90.935 7.248 1.986 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.659 6.461 0.863 1.00 0.00 C ATOM 0 H PHE A 67 85.774 10.912 2.821 1.00 0.00 H new ATOM 0 HA PHE A 67 88.575 10.654 1.867 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.738 9.012 3.675 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.592 8.419 2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 67 87.377 7.259 0.436 1.00 0.00 H new ATOM 0 HD2 PHE A 67 90.140 8.648 3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 67 89.164 5.855 -0.564 1.00 0.00 H new ATOM 0 HE2 PHE A 67 91.925 7.245 2.418 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.437 5.851 0.427 1.00 0.00 H new ATOM 1195 N TYR A 68 87.764 10.588 -0.468 1.00 0.00 N ATOM 1196 CA TYR A 68 87.321 10.510 -1.852 1.00 0.00 C ATOM 1197 C TYR A 68 87.604 9.129 -2.432 1.00 0.00 C ATOM 1198 O TYR A 68 88.688 8.575 -2.247 1.00 0.00 O ATOM 1199 CB TYR A 68 88.027 11.576 -2.695 1.00 0.00 C ATOM 1200 CG TYR A 68 87.470 12.940 -2.360 1.00 0.00 C ATOM 1201 CD1 TYR A 68 86.212 13.317 -2.845 1.00 0.00 C ATOM 1202 CD2 TYR A 68 88.209 13.829 -1.570 1.00 0.00 C ATOM 1203 CE1 TYR A 68 85.693 14.580 -2.542 1.00 0.00 C ATOM 1204 CE2 TYR A 68 87.690 15.094 -1.267 1.00 0.00 C ATOM 1205 CZ TYR A 68 86.431 15.470 -1.754 1.00 0.00 C ATOM 1206 OH TYR A 68 85.920 16.716 -1.457 1.00 0.00 O ATOM 0 H TYR A 68 88.685 11.007 -0.336 1.00 0.00 H new ATOM 0 HA TYR A 68 86.246 10.687 -1.875 1.00 0.00 H new ATOM 0 HB2 TYR A 68 89.100 11.553 -2.504 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.888 11.366 -3.756 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.641 12.632 -3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.179 13.539 -1.194 1.00 0.00 H new ATOM 0 HE1 TYR A 68 84.722 14.868 -2.917 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.260 15.780 -0.658 1.00 0.00 H new ATOM 0 HH TYR A 68 86.559 17.207 -0.900 1.00 0.00 H new ATOM 1216 N TYR A 69 86.620 8.588 -3.140 1.00 0.00 N ATOM 1217 CA TYR A 69 86.763 7.275 -3.757 1.00 0.00 C ATOM 1218 C TYR A 69 86.962 7.407 -5.260 1.00 0.00 C ATOM 1219 O TYR A 69 86.486 8.357 -5.881 1.00 0.00 O ATOM 1220 CB TYR A 69 85.533 6.415 -3.471 1.00 0.00 C ATOM 1221 CG TYR A 69 85.592 5.906 -2.052 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.307 4.737 -1.769 1.00 0.00 C ATOM 1223 CD2 TYR A 69 84.932 6.585 -1.022 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.363 4.248 -0.460 1.00 0.00 C ATOM 1225 CE2 TYR A 69 84.991 6.087 0.284 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.703 4.925 0.562 1.00 0.00 C ATOM 1227 OH TYR A 69 85.749 4.446 1.850 1.00 0.00 O ATOM 0 H TYR A 69 85.718 9.036 -3.301 1.00 0.00 H new ATOM 0 HA TYR A 69 87.641 6.792 -3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.625 6.999 -3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.492 5.577 -4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.817 4.211 -2.563 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.380 7.489 -1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 69 86.917 3.347 -0.242 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.481 6.608 1.081 1.00 0.00 H new ATOM 0 HH TYR A 69 84.936 3.933 2.037 1.00 0.00 H new ATOM 1237 N ASN A 70 87.669 6.443 -5.835 1.00 0.00 N ATOM 1238 CA ASN A 70 87.934 6.443 -7.266 1.00 0.00 C ATOM 1239 C ASN A 70 86.895 5.623 -8.018 1.00 0.00 C ATOM 1240 O ASN A 70 86.772 4.416 -7.809 1.00 0.00 O ATOM 1241 CB ASN A 70 89.327 5.872 -7.528 1.00 0.00 C ATOM 1242 CG ASN A 70 89.469 5.500 -8.998 1.00 0.00 C ATOM 1243 OD1 ASN A 70 89.378 6.361 -9.874 1.00 0.00 O ATOM 1244 ND2 ASN A 70 89.687 4.252 -9.320 1.00 0.00 N ATOM 0 H ASN A 70 88.069 5.651 -5.332 1.00 0.00 H new ATOM 0 HA ASN A 70 87.881 7.471 -7.624 1.00 0.00 H new ATOM 0 HB2 ASN A 70 90.087 6.604 -7.255 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.492 4.993 -6.904 1.00 0.00 H new ATOM 0 HD21 ASN A 70 89.783 3.987 -10.300 1.00 0.00 H new ATOM 0 HD22 ASN A 70 89.762 3.543 -8.591 1.00 0.00 H new ATOM 1251 N LYS A 71 86.156 6.286 -8.902 1.00 0.00 N ATOM 1252 CA LYS A 71 85.136 5.603 -9.687 1.00 0.00 C ATOM 1253 C LYS A 71 85.764 4.491 -10.516 1.00 0.00 C ATOM 1254 O LYS A 71 85.165 3.439 -10.720 1.00 0.00 O ATOM 1255 CB LYS A 71 84.430 6.597 -10.612 1.00 0.00 C ATOM 1256 CG LYS A 71 85.455 7.587 -11.169 1.00 0.00 C ATOM 1257 CD LYS A 71 84.892 8.271 -12.418 1.00 0.00 C ATOM 1258 CE LYS A 71 85.518 7.648 -13.667 1.00 0.00 C ATOM 1259 NZ LYS A 71 86.913 8.146 -13.826 1.00 0.00 N ATOM 0 H LYS A 71 86.243 7.285 -9.091 1.00 0.00 H new ATOM 0 HA LYS A 71 84.407 5.168 -9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.939 6.066 -11.428 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.652 7.130 -10.065 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.700 8.334 -10.414 1.00 0.00 H new ATOM 0 HG3 LYS A 71 86.381 7.066 -11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 71 83.808 8.161 -12.448 1.00 0.00 H new ATOM 0 HD3 LYS A 71 85.103 9.340 -12.387 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.516 6.561 -13.584 1.00 0.00 H new ATOM 0 HE3 LYS A 71 84.928 7.902 -14.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 87.410 7.567 -14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 86.894 9.137 -14.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 87.410 8.082 -12.915 1.00 0.00 H new ATOM 1273 N GLU A 72 86.979 4.714 -10.983 1.00 0.00 N ATOM 1274 CA GLU A 72 87.653 3.699 -11.776 1.00 0.00 C ATOM 1275 C GLU A 72 88.120 2.567 -10.877 1.00 0.00 C ATOM 1276 O GLU A 72 89.309 2.284 -10.812 1.00 0.00 O ATOM 1277 CB GLU A 72 88.858 4.299 -12.502 1.00 0.00 C ATOM 1278 CG GLU A 72 88.383 5.272 -13.577 1.00 0.00 C ATOM 1279 CD GLU A 72 89.588 5.941 -14.228 1.00 0.00 C ATOM 1280 OE1 GLU A 72 90.686 5.743 -13.734 1.00 0.00 O ATOM 1281 OE2 GLU A 72 89.396 6.641 -15.208 1.00 0.00 O ATOM 0 H GLU A 72 87.512 5.571 -10.832 1.00 0.00 H new ATOM 0 HA GLU A 72 86.949 3.314 -12.514 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.502 4.815 -11.791 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.453 3.506 -12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 72 87.798 4.742 -14.329 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.729 6.025 -13.137 1.00 0.00 H new ATOM 1288 N ARG A 73 87.175 1.945 -10.168 1.00 0.00 N ATOM 1289 CA ARG A 73 87.494 0.853 -9.250 1.00 0.00 C ATOM 1290 C ARG A 73 88.689 0.035 -9.739 1.00 0.00 C ATOM 1291 O ARG A 73 88.746 -0.373 -10.900 1.00 0.00 O ATOM 1292 CB ARG A 73 86.281 -0.067 -9.105 1.00 0.00 C ATOM 1293 CG ARG A 73 85.794 -0.075 -7.653 1.00 0.00 C ATOM 1294 CD ARG A 73 86.899 -0.607 -6.737 1.00 0.00 C ATOM 1295 NE ARG A 73 87.530 0.491 -6.012 1.00 0.00 N ATOM 1296 CZ ARG A 73 87.020 0.952 -4.872 1.00 0.00 C ATOM 1297 NH1 ARG A 73 85.947 0.409 -4.367 1.00 0.00 N ATOM 1298 NH2 ARG A 73 87.599 1.944 -4.254 1.00 0.00 N ATOM 0 H ARG A 73 86.183 2.180 -10.213 1.00 0.00 H new ATOM 0 HA ARG A 73 87.753 1.293 -8.287 1.00 0.00 H new ATOM 0 HB2 ARG A 73 85.480 0.269 -9.763 1.00 0.00 H new ATOM 0 HB3 ARG A 73 86.544 -1.079 -9.414 1.00 0.00 H new ATOM 0 HG2 ARG A 73 85.511 0.933 -7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 73 84.903 -0.697 -7.562 1.00 0.00 H new ATOM 0 HD2 ARG A 73 86.481 -1.325 -6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 73 87.646 -1.138 -7.327 1.00 0.00 H new ATOM 0 HE ARG A 73 88.379 0.914 -6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 73 85.496 -0.371 -4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 73 85.558 0.764 -3.493 1.00 0.00 H new ATOM 0 HH21 ARG A 73 88.442 2.366 -4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 73 87.209 2.298 -3.380 1.00 0.00 H new ATOM 1312 N GLU A 74 89.635 -0.201 -8.835 1.00 0.00 N ATOM 1313 CA GLU A 74 90.828 -0.974 -9.154 1.00 0.00 C ATOM 1314 C GLU A 74 90.908 -2.206 -8.260 1.00 0.00 C ATOM 1315 O GLU A 74 91.990 -2.630 -7.860 1.00 0.00 O ATOM 1316 CB GLU A 74 92.077 -0.111 -8.967 1.00 0.00 C ATOM 1317 CG GLU A 74 92.270 0.784 -10.194 1.00 0.00 C ATOM 1318 CD GLU A 74 92.666 -0.054 -11.408 1.00 0.00 C ATOM 1319 OE1 GLU A 74 93.336 -1.056 -11.221 1.00 0.00 O ATOM 1320 OE2 GLU A 74 92.288 0.318 -12.506 1.00 0.00 O ATOM 0 H GLU A 74 89.597 0.134 -7.872 1.00 0.00 H new ATOM 0 HA GLU A 74 90.772 -1.295 -10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 74 91.978 0.500 -8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 74 92.952 -0.745 -8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 74 91.349 1.327 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 74 93.040 1.529 -9.991 1.00 0.00 H new ATOM 1327 N CYS A 75 89.748 -2.777 -7.957 1.00 0.00 N ATOM 1328 CA CYS A 75 89.684 -3.965 -7.116 1.00 0.00 C ATOM 1329 C CYS A 75 89.793 -5.238 -7.948 1.00 0.00 C ATOM 1330 O CYS A 75 89.298 -5.304 -9.074 1.00 0.00 O ATOM 1331 CB CYS A 75 88.375 -3.985 -6.332 1.00 0.00 C ATOM 1332 SG CYS A 75 87.812 -5.694 -6.164 1.00 0.00 S ATOM 0 H CYS A 75 88.842 -2.438 -8.280 1.00 0.00 H new ATOM 0 HA CYS A 75 90.526 -3.928 -6.425 1.00 0.00 H new ATOM 0 HB2 CYS A 75 88.519 -3.538 -5.348 1.00 0.00 H new ATOM 0 HB3 CYS A 75 87.620 -3.389 -6.845 1.00 0.00 H new ATOM 0 HG CYS A 75 86.699 -5.850 -6.817 1.00 0.00 H new ATOM 1338 N GLU A 76 90.441 -6.247 -7.376 1.00 0.00 N ATOM 1339 CA GLU A 76 90.616 -7.526 -8.053 1.00 0.00 C ATOM 1340 C GLU A 76 90.133 -8.667 -7.164 1.00 0.00 C ATOM 1341 O GLU A 76 89.791 -8.452 -6.003 1.00 0.00 O ATOM 1342 CB GLU A 76 92.085 -7.735 -8.416 1.00 0.00 C ATOM 1343 CG GLU A 76 92.474 -6.766 -9.535 1.00 0.00 C ATOM 1344 CD GLU A 76 93.976 -6.836 -9.786 1.00 0.00 C ATOM 1345 OE1 GLU A 76 94.673 -7.372 -8.942 1.00 0.00 O ATOM 1346 OE2 GLU A 76 94.406 -6.354 -10.822 1.00 0.00 O ATOM 0 H GLU A 76 90.854 -6.203 -6.444 1.00 0.00 H new ATOM 0 HA GLU A 76 90.023 -7.517 -8.968 1.00 0.00 H new ATOM 0 HB2 GLU A 76 92.714 -7.570 -7.542 1.00 0.00 H new ATOM 0 HB3 GLU A 76 92.249 -8.764 -8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 76 91.932 -7.015 -10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 76 92.189 -5.750 -9.263 1.00 0.00 H new ATOM 1353 N ASP A 77 90.097 -9.874 -7.724 1.00 0.00 N ATOM 1354 CA ASP A 77 89.645 -11.048 -6.980 1.00 0.00 C ATOM 1355 C ASP A 77 90.348 -11.128 -5.626 1.00 0.00 C ATOM 1356 O ASP A 77 89.823 -11.707 -4.669 1.00 0.00 O ATOM 1357 CB ASP A 77 89.951 -12.313 -7.788 1.00 0.00 C ATOM 1358 CG ASP A 77 89.218 -13.508 -7.191 1.00 0.00 C ATOM 1359 OD1 ASP A 77 88.197 -13.296 -6.557 1.00 0.00 O ATOM 1360 OD2 ASP A 77 89.688 -14.619 -7.374 1.00 0.00 O ATOM 0 H ASP A 77 90.374 -10.065 -8.687 1.00 0.00 H new ATOM 0 HA ASP A 77 88.571 -10.965 -6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 77 89.648 -12.173 -8.826 1.00 0.00 H new ATOM 0 HB3 ASP A 77 91.025 -12.500 -7.792 1.00 0.00 H new ATOM 1365 N LYS A 78 91.523 -10.518 -5.552 1.00 0.00 N ATOM 1366 CA LYS A 78 92.291 -10.504 -4.315 1.00 0.00 C ATOM 1367 C LYS A 78 91.577 -9.691 -3.240 1.00 0.00 C ATOM 1368 O LYS A 78 91.635 -10.017 -2.053 1.00 0.00 O ATOM 1369 CB LYS A 78 93.677 -9.898 -4.561 1.00 0.00 C ATOM 1370 CG LYS A 78 94.731 -11.006 -4.540 1.00 0.00 C ATOM 1371 CD LYS A 78 94.895 -11.529 -3.109 1.00 0.00 C ATOM 1372 CE LYS A 78 96.280 -11.154 -2.579 1.00 0.00 C ATOM 1373 NZ LYS A 78 97.325 -11.834 -3.395 1.00 0.00 N ATOM 0 H LYS A 78 91.964 -10.028 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 78 92.393 -11.534 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.695 -9.383 -5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 78 93.901 -9.154 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 78 94.433 -11.818 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 78 95.683 -10.624 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 78 94.122 -11.107 -2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 78 94.769 -12.611 -3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 78 96.417 -10.073 -2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 78 96.372 -11.447 -1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 98.154 -12.034 -2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 96.946 -12.726 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 97.606 -11.217 -4.184 1.00 0.00 H new ATOM 1387 N GLU A 79 90.884 -8.640 -3.656 1.00 0.00 N ATOM 1388 CA GLU A 79 90.168 -7.802 -2.708 1.00 0.00 C ATOM 1389 C GLU A 79 88.820 -8.414 -2.371 1.00 0.00 C ATOM 1390 O GLU A 79 88.308 -8.236 -1.268 1.00 0.00 O ATOM 1391 CB GLU A 79 89.967 -6.409 -3.293 1.00 0.00 C ATOM 1392 CG GLU A 79 91.328 -5.779 -3.589 1.00 0.00 C ATOM 1393 CD GLU A 79 92.073 -5.508 -2.287 1.00 0.00 C ATOM 1394 OE1 GLU A 79 91.431 -5.492 -1.250 1.00 0.00 O ATOM 1395 OE2 GLU A 79 93.278 -5.317 -2.345 1.00 0.00 O ATOM 0 H GLU A 79 90.803 -8.351 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 79 90.759 -7.728 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.376 -6.469 -4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 79 89.410 -5.786 -2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 79 91.916 -6.444 -4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 79 91.195 -4.849 -4.141 1.00 0.00 H new ATOM 1402 N VAL A 80 88.245 -9.136 -3.324 1.00 0.00 N ATOM 1403 CA VAL A 80 86.954 -9.763 -3.105 1.00 0.00 C ATOM 1404 C VAL A 80 87.048 -10.708 -1.914 1.00 0.00 C ATOM 1405 O VAL A 80 86.197 -10.700 -1.025 1.00 0.00 O ATOM 1406 CB VAL A 80 86.556 -10.550 -4.346 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.268 -11.328 -4.074 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.327 -9.574 -5.502 1.00 0.00 C ATOM 0 H VAL A 80 88.649 -9.299 -4.246 1.00 0.00 H new ATOM 0 HA VAL A 80 86.205 -8.997 -2.905 1.00 0.00 H new ATOM 0 HB VAL A 80 87.349 -11.252 -4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 80 84.987 -11.890 -4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.428 -12.018 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.470 -10.632 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 80 86.041 -10.129 -6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.531 -8.877 -5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 80 87.245 -9.019 -5.697 1.00 0.00 H new ATOM 1418 N HIS A 81 88.099 -11.517 -1.908 1.00 0.00 N ATOM 1419 CA HIS A 81 88.306 -12.469 -0.817 1.00 0.00 C ATOM 1420 C HIS A 81 88.623 -11.746 0.487 1.00 0.00 C ATOM 1421 O HIS A 81 88.143 -12.133 1.550 1.00 0.00 O ATOM 1422 CB HIS A 81 89.447 -13.430 -1.153 1.00 0.00 C ATOM 1423 CG HIS A 81 88.981 -14.424 -2.178 1.00 0.00 C ATOM 1424 ND1 HIS A 81 88.959 -14.139 -3.534 1.00 0.00 N ATOM 1425 CD2 HIS A 81 88.513 -15.709 -2.058 1.00 0.00 C ATOM 1426 CE1 HIS A 81 88.493 -15.229 -4.170 1.00 0.00 C ATOM 1427 NE2 HIS A 81 88.204 -16.215 -3.316 1.00 0.00 N ATOM 0 H HIS A 81 88.815 -11.537 -2.634 1.00 0.00 H new ATOM 0 HA HIS A 81 87.382 -13.034 -0.692 1.00 0.00 H new ATOM 0 HB2 HIS A 81 90.304 -12.874 -1.533 1.00 0.00 H new ATOM 0 HB3 HIS A 81 89.777 -13.948 -0.253 1.00 0.00 H new ATOM 0 HD1 HIS A 81 89.244 -13.262 -3.970 1.00 0.00 H new ATOM 0 HD2 HIS A 81 88.402 -16.246 -1.127 1.00 0.00 H new ATOM 0 HE1 HIS A 81 88.368 -15.299 -5.240 1.00 0.00 H new ATOM 1435 N LYS A 82 89.428 -10.692 0.404 1.00 0.00 N ATOM 1436 CA LYS A 82 89.791 -9.928 1.594 1.00 0.00 C ATOM 1437 C LYS A 82 88.591 -9.140 2.116 1.00 0.00 C ATOM 1438 O LYS A 82 88.500 -8.844 3.307 1.00 0.00 O ATOM 1439 CB LYS A 82 90.935 -8.970 1.266 1.00 0.00 C ATOM 1440 CG LYS A 82 92.208 -9.772 0.978 1.00 0.00 C ATOM 1441 CD LYS A 82 93.256 -9.457 2.045 1.00 0.00 C ATOM 1442 CE LYS A 82 93.692 -7.996 1.918 1.00 0.00 C ATOM 1443 NZ LYS A 82 93.318 -7.258 3.157 1.00 0.00 N ATOM 0 H LYS A 82 89.838 -10.349 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 82 90.112 -10.625 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.675 -8.359 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.103 -8.288 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.986 -10.839 0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.593 -9.523 -0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.845 -9.640 3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.117 -10.116 1.930 1.00 0.00 H new ATOM 0 HE2 LYS A 82 94.769 -7.939 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 82 93.217 -7.537 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 93.079 -6.275 2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.496 -7.716 3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 94.118 -7.267 3.821 1.00 0.00 H new ATOM 1457 N VAL A 83 87.678 -8.803 1.213 1.00 0.00 N ATOM 1458 CA VAL A 83 86.485 -8.046 1.581 1.00 0.00 C ATOM 1459 C VAL A 83 85.378 -8.980 2.062 1.00 0.00 C ATOM 1460 O VAL A 83 85.116 -10.014 1.448 1.00 0.00 O ATOM 1461 CB VAL A 83 85.989 -7.235 0.382 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.688 -6.522 0.754 1.00 0.00 C ATOM 1463 CG2 VAL A 83 87.046 -6.195 -0.001 1.00 0.00 C ATOM 0 H VAL A 83 87.739 -9.041 0.223 1.00 0.00 H new ATOM 0 HA VAL A 83 86.747 -7.369 2.394 1.00 0.00 H new ATOM 0 HB VAL A 83 85.811 -7.903 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.333 -5.944 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.935 -7.260 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.867 -5.854 1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.694 -5.616 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 83 87.222 -5.527 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.975 -6.700 -0.263 1.00 0.00 H new ATOM 1473 N LYS A 84 84.729 -8.603 3.160 1.00 0.00 N ATOM 1474 CA LYS A 84 83.647 -9.409 3.715 1.00 0.00 C ATOM 1475 C LYS A 84 82.300 -8.767 3.401 1.00 0.00 C ATOM 1476 O LYS A 84 82.228 -7.563 3.148 1.00 0.00 O ATOM 1477 CB LYS A 84 83.814 -9.531 5.232 1.00 0.00 C ATOM 1478 CG LYS A 84 83.814 -8.139 5.862 1.00 0.00 C ATOM 1479 CD LYS A 84 83.992 -8.267 7.374 1.00 0.00 C ATOM 1480 CE LYS A 84 84.561 -6.963 7.922 1.00 0.00 C ATOM 1481 NZ LYS A 84 83.670 -5.829 7.548 1.00 0.00 N ATOM 0 H LYS A 84 84.932 -7.749 3.680 1.00 0.00 H new ATOM 0 HA LYS A 84 83.683 -10.401 3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.005 -10.130 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 84 84.746 -10.047 5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 84 84.618 -7.537 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 84 82.879 -7.626 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 84 83.036 -8.488 7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 84 84.661 -9.096 7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 84 84.654 -7.023 9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 84 85.563 -6.797 7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 83.803 -5.047 8.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 83.905 -5.504 6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 82.679 -6.143 7.574 1.00 0.00 H new ATOM 1495 N VAL A 85 81.238 -9.572 3.416 1.00 0.00 N ATOM 1496 CA VAL A 85 79.903 -9.059 3.130 1.00 0.00 C ATOM 1497 C VAL A 85 78.963 -9.393 4.285 1.00 0.00 C ATOM 1498 O VAL A 85 78.768 -10.561 4.621 1.00 0.00 O ATOM 1499 CB VAL A 85 79.376 -9.686 1.838 1.00 0.00 C ATOM 1500 CG1 VAL A 85 78.087 -8.986 1.400 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.432 -9.553 0.744 1.00 0.00 C ATOM 0 H VAL A 85 81.277 -10.570 3.621 1.00 0.00 H new ATOM 0 HA VAL A 85 79.953 -7.977 3.010 1.00 0.00 H new ATOM 0 HB VAL A 85 79.161 -10.740 2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.721 -9.440 0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.333 -9.090 2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.288 -7.929 1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 85 80.059 -9.999 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.650 -8.498 0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.343 -10.066 1.053 1.00 0.00 H new ATOM 1511 N TYR A 86 78.391 -8.363 4.895 1.00 0.00 N ATOM 1512 CA TYR A 86 77.483 -8.566 6.018 1.00 0.00 C ATOM 1513 C TYR A 86 76.047 -8.757 5.532 1.00 0.00 C ATOM 1514 O TYR A 86 75.638 -8.174 4.528 1.00 0.00 O ATOM 1515 CB TYR A 86 77.563 -7.365 6.964 1.00 0.00 C ATOM 1516 CG TYR A 86 76.557 -6.324 6.540 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.546 -5.859 5.222 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.627 -5.839 7.458 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.604 -4.904 4.824 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.680 -4.886 7.062 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.669 -4.419 5.744 1.00 0.00 C ATOM 1522 OH TYR A 86 73.736 -3.482 5.350 1.00 0.00 O ATOM 0 H TYR A 86 78.537 -7.388 4.635 1.00 0.00 H new ATOM 0 HA TYR A 86 77.783 -9.469 6.550 1.00 0.00 H new ATOM 0 HB2 TYR A 86 77.365 -7.681 7.988 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.568 -6.943 6.949 1.00 0.00 H new ATOM 0 HD1 TYR A 86 77.265 -6.237 4.510 1.00 0.00 H new ATOM 0 HD2 TYR A 86 75.637 -6.199 8.476 1.00 0.00 H new ATOM 0 HE1 TYR A 86 75.599 -4.542 3.807 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.959 -4.512 7.774 1.00 0.00 H new ATOM 0 HH TYR A 86 72.834 -3.831 5.510 1.00 0.00 H new ATOM 1532 N VAL A 87 75.285 -9.580 6.253 1.00 0.00 N ATOM 1533 CA VAL A 87 73.893 -9.836 5.890 1.00 0.00 C ATOM 1534 C VAL A 87 72.976 -9.626 7.092 1.00 0.00 C ATOM 1535 O VAL A 87 73.190 -10.195 8.163 1.00 0.00 O ATOM 1536 CB VAL A 87 73.736 -11.263 5.357 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.225 -11.320 3.909 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.571 -12.223 6.201 1.00 0.00 C ATOM 0 H VAL A 87 75.605 -10.076 7.084 1.00 0.00 H new ATOM 0 HA VAL A 87 73.609 -9.132 5.108 1.00 0.00 H new ATOM 0 HB VAL A 87 72.686 -11.551 5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.114 -12.335 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 87 73.635 -10.636 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.275 -11.029 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.457 -13.237 5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.620 -11.933 6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 87 74.233 -12.185 7.237 1.00 0.00 H new ATOM 1548 N TYR A 88 71.951 -8.801 6.906 1.00 0.00 N ATOM 1549 CA TYR A 88 71.008 -8.521 7.982 1.00 0.00 C ATOM 1550 C TYR A 88 70.300 -9.799 8.415 1.00 0.00 C ATOM 1551 O TYR A 88 70.645 -10.848 7.895 1.00 0.00 O ATOM 1552 CB TYR A 88 69.973 -7.493 7.521 1.00 0.00 C ATOM 1553 CG TYR A 88 69.016 -8.145 6.554 1.00 0.00 C ATOM 1554 CD1 TYR A 88 69.322 -8.193 5.190 1.00 0.00 C ATOM 1555 CD2 TYR A 88 67.821 -8.700 7.025 1.00 0.00 C ATOM 1556 CE1 TYR A 88 68.432 -8.799 4.295 1.00 0.00 C ATOM 1557 CE2 TYR A 88 66.931 -9.306 6.130 1.00 0.00 C ATOM 1558 CZ TYR A 88 67.236 -9.354 4.765 1.00 0.00 C ATOM 1559 OH TYR A 88 66.358 -9.951 3.882 1.00 0.00 O ATOM 1560 OXT TYR A 88 69.424 -9.713 9.258 1.00 0.00 O ATOM 0 H TYR A 88 71.753 -8.319 6.029 1.00 0.00 H new ATOM 0 HA TYR A 88 71.563 -8.118 8.830 1.00 0.00 H new ATOM 0 HB2 TYR A 88 69.428 -7.099 8.379 1.00 0.00 H new ATOM 0 HB3 TYR A 88 70.470 -6.648 7.044 1.00 0.00 H new ATOM 0 HD1 TYR A 88 70.244 -7.763 4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 88 67.585 -8.661 8.078 1.00 0.00 H new ATOM 0 HE1 TYR A 88 68.668 -8.838 3.242 1.00 0.00 H new ATOM 0 HE2 TYR A 88 66.009 -9.736 6.493 1.00 0.00 H new ATOM 0 HH TYR A 88 65.578 -10.286 4.372 1.00 0.00 H new TER 1570 TYR A 88