USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=28 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 42 LYS NZ :NH3+ -153:sc= -4.56! (180deg=-0.0483) USER MOD Set 1.2: A 60 GLN : amide:sc= -6.91! C(o=-11!,f=-14!) 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 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+ 152:sc= 0.69 (180deg=-0.0947) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 HIS : no HE2:sc= -0.138! C(o=-0.14!,f=-4.4!) USER MOD Single : A -2 SER OG : rot -122:sc= 0.353 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -14:sc= 0.473 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= -0.0415 (180deg=-0.404) USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.0168 (180deg=-0.41) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -3.43! K(o=-3.4!,f=-1.8) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.4) USER MOD Single : A 29 GLN : amide:sc= -0.224 K(o=-0.22,f=-0.94) USER MOD Single : A 32 TYR OH : rot 151:sc= -0.36 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= -4.26! (180deg=-4.28!) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 43 GLN : amide:sc= -2.95! C(o=-3!,f=-9.2!) USER MOD Single : A 46 MET CE :methyl -124:sc= -0.311 (180deg=-0.368) USER MOD Single : A 53 THR OG1 : rot 127:sc= 0.776! USER MOD Single : A 55 TYR OH : rot -144:sc= 0.789! 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 64 ASN : amide:sc= -1.72! C(o=-1.7!,f=-2.6!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.544 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -111:sc= 0.762 USER MOD Single : A 70 ASN : amide:sc= -8.9! C(o=-8.9!,f=-12!) USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= -0.77 (180deg=-1.41) USER MOD Single : A 75 CYS SG : rot 170:sc= -3.18 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= 0.96 K(o=0.96,f=-7.4!) USER MOD Single : A 82 LYS NZ :NH3+ -146:sc= -0.174 (180deg=-0.722) USER MOD Single : A 84 LYS NZ :NH3+ -164:sc= -0.549 (180deg=-1.08) USER MOD Single : A 86 TYR OH : rot -165:sc= -4.18! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 84.859 5.657 28.420 1.00 0.00 N ATOM 2 CA GLY A -3 83.575 6.227 27.922 1.00 0.00 C ATOM 3 C GLY A -3 82.411 5.378 28.422 1.00 0.00 C ATOM 4 O GLY A -3 81.767 5.713 29.417 1.00 0.00 O ATOM 0 H1 GLY A -3 85.652 6.237 28.078 1.00 0.00 H new ATOM 0 H2 GLY A -3 84.856 5.652 29.460 1.00 0.00 H new ATOM 0 H3 GLY A -3 84.966 4.684 28.070 1.00 0.00 H new ATOM 0 HA2 GLY A -3 83.463 7.255 28.267 1.00 0.00 H new ATOM 0 HA3 GLY A -3 83.576 6.255 26.832 1.00 0.00 H new ATOM 10 N SER A -2 82.147 4.276 27.726 1.00 0.00 N ATOM 11 CA SER A -2 81.057 3.386 28.109 1.00 0.00 C ATOM 12 C SER A -2 79.766 4.175 28.311 1.00 0.00 C ATOM 13 O SER A -2 79.645 5.312 27.857 1.00 0.00 O ATOM 14 CB SER A -2 81.413 2.648 29.399 1.00 0.00 C ATOM 15 OG SER A -2 80.471 1.607 29.619 1.00 0.00 O ATOM 0 H SER A -2 82.668 3.980 26.901 1.00 0.00 H new ATOM 0 HA SER A -2 80.906 2.663 27.308 1.00 0.00 H new ATOM 0 HB2 SER A -2 82.419 2.235 29.329 1.00 0.00 H new ATOM 0 HB3 SER A -2 81.410 3.341 30.241 1.00 0.00 H new ATOM 0 HG SER A -2 80.039 1.736 30.489 1.00 0.00 H new ATOM 21 N HIS A -1 78.806 3.564 28.997 1.00 0.00 N ATOM 22 CA HIS A -1 77.530 4.221 29.255 1.00 0.00 C ATOM 23 C HIS A -1 76.980 4.840 27.975 1.00 0.00 C ATOM 24 O HIS A -1 76.467 5.958 27.985 1.00 0.00 O ATOM 25 CB HIS A -1 77.707 5.309 30.316 1.00 0.00 C ATOM 26 CG HIS A -1 76.368 5.654 30.907 1.00 0.00 C ATOM 27 ND1 HIS A -1 75.443 6.437 30.236 1.00 0.00 N ATOM 28 CD2 HIS A -1 75.785 5.331 32.108 1.00 0.00 C ATOM 29 CE1 HIS A -1 74.362 6.558 31.027 1.00 0.00 C ATOM 30 NE2 HIS A -1 74.517 5.902 32.181 1.00 0.00 N ATOM 0 H HIS A -1 78.886 2.623 29.382 1.00 0.00 H new ATOM 0 HA HIS A -1 76.824 3.474 29.617 1.00 0.00 H new ATOM 0 HB2 HIS A -1 78.383 4.963 31.098 1.00 0.00 H new ATOM 0 HB3 HIS A -1 78.160 6.195 29.872 1.00 0.00 H new ATOM 0 HD1 HIS A -1 75.560 6.847 29.310 1.00 0.00 H new ATOM 0 HD2 HIS A -1 76.241 4.726 32.878 1.00 0.00 H new ATOM 0 HE1 HIS A -1 73.477 7.117 30.762 1.00 0.00 H new ATOM 38 N MET A 0 77.092 4.106 26.873 1.00 0.00 N ATOM 39 CA MET A 0 76.604 4.595 25.589 1.00 0.00 C ATOM 40 C MET A 0 75.892 3.483 24.824 1.00 0.00 C ATOM 41 O MET A 0 76.206 3.216 23.663 1.00 0.00 O ATOM 42 CB MET A 0 77.774 5.123 24.754 1.00 0.00 C ATOM 43 CG MET A 0 77.257 5.614 23.401 1.00 0.00 C ATOM 44 SD MET A 0 77.967 7.238 23.037 1.00 0.00 S ATOM 45 CE MET A 0 76.415 8.086 22.658 1.00 0.00 C ATOM 0 H MET A 0 77.513 3.177 26.843 1.00 0.00 H new ATOM 0 HA MET A 0 75.895 5.402 25.775 1.00 0.00 H new ATOM 0 HB2 MET A 0 78.273 5.936 25.281 1.00 0.00 H new ATOM 0 HB3 MET A 0 78.514 4.336 24.608 1.00 0.00 H new ATOM 0 HG2 MET A 0 77.525 4.904 22.618 1.00 0.00 H new ATOM 0 HG3 MET A 0 76.169 5.676 23.416 1.00 0.00 H new ATOM 0 HE1 MET A 0 76.621 9.125 22.401 1.00 0.00 H new ATOM 0 HE2 MET A 0 75.928 7.594 21.816 1.00 0.00 H new ATOM 0 HE3 MET A 0 75.759 8.051 23.528 1.00 0.00 H new ATOM 55 N MET A 1 74.931 2.842 25.480 1.00 0.00 N ATOM 56 CA MET A 1 74.180 1.762 24.847 1.00 0.00 C ATOM 57 C MET A 1 73.269 2.314 23.758 1.00 0.00 C ATOM 58 O MET A 1 72.657 3.369 23.923 1.00 0.00 O ATOM 59 CB MET A 1 73.342 1.030 25.900 1.00 0.00 C ATOM 60 CG MET A 1 74.256 0.170 26.773 1.00 0.00 C ATOM 61 SD MET A 1 74.884 -1.224 25.803 1.00 0.00 S ATOM 62 CE MET A 1 75.998 -1.894 27.061 1.00 0.00 C ATOM 0 H MET A 1 74.655 3.048 26.440 1.00 0.00 H new ATOM 0 HA MET A 1 74.884 1.065 24.393 1.00 0.00 H new ATOM 0 HB2 MET A 1 72.805 1.750 26.517 1.00 0.00 H new ATOM 0 HB3 MET A 1 72.593 0.405 25.414 1.00 0.00 H new ATOM 0 HG2 MET A 1 75.086 0.768 27.148 1.00 0.00 H new ATOM 0 HG3 MET A 1 73.708 -0.195 27.642 1.00 0.00 H new ATOM 0 HE1 MET A 1 76.501 -2.778 26.668 1.00 0.00 H new ATOM 0 HE2 MET A 1 76.741 -1.142 27.327 1.00 0.00 H new ATOM 0 HE3 MET A 1 75.424 -2.167 27.947 1.00 0.00 H new ATOM 72 N ALA A 2 73.185 1.595 22.643 1.00 0.00 N ATOM 73 CA ALA A 2 72.346 2.030 21.531 1.00 0.00 C ATOM 74 C ALA A 2 70.871 1.892 21.887 1.00 0.00 C ATOM 75 O ALA A 2 70.404 0.808 22.237 1.00 0.00 O ATOM 76 CB ALA A 2 72.655 1.188 20.292 1.00 0.00 C ATOM 0 H ALA A 2 73.682 0.718 22.486 1.00 0.00 H new ATOM 0 HA ALA A 2 72.559 3.079 21.324 1.00 0.00 H new ATOM 0 HB1 ALA A 2 72.027 1.515 19.464 1.00 0.00 H new ATOM 0 HB2 ALA A 2 73.704 1.309 20.022 1.00 0.00 H new ATOM 0 HB3 ALA A 2 72.455 0.138 20.506 1.00 0.00 H new ATOM 82 N THR A 3 70.138 2.999 21.791 1.00 0.00 N ATOM 83 CA THR A 3 68.714 2.987 22.105 1.00 0.00 C ATOM 84 C THR A 3 67.969 2.047 21.164 1.00 0.00 C ATOM 85 O THR A 3 67.174 1.215 21.602 1.00 0.00 O ATOM 86 CB THR A 3 68.142 4.400 21.977 1.00 0.00 C ATOM 87 OG1 THR A 3 68.800 5.260 22.899 1.00 0.00 O ATOM 88 CG2 THR A 3 66.644 4.377 22.281 1.00 0.00 C ATOM 0 H THR A 3 70.503 3.906 21.501 1.00 0.00 H new ATOM 0 HA THR A 3 68.587 2.635 23.129 1.00 0.00 H new ATOM 0 HB THR A 3 68.298 4.764 20.962 1.00 0.00 H new ATOM 0 HG1 THR A 3 68.436 6.166 22.818 1.00 0.00 H new ATOM 0 HG21 THR A 3 66.239 5.385 22.189 1.00 0.00 H new ATOM 0 HG22 THR A 3 66.140 3.717 21.575 1.00 0.00 H new ATOM 0 HG23 THR A 3 66.484 4.013 23.296 1.00 0.00 H new ATOM 96 N SER A 4 68.235 2.181 19.868 1.00 0.00 N ATOM 97 CA SER A 4 67.589 1.331 18.875 1.00 0.00 C ATOM 98 C SER A 4 68.340 1.398 17.548 1.00 0.00 C ATOM 99 O SER A 4 68.529 2.475 16.984 1.00 0.00 O ATOM 100 CB SER A 4 66.140 1.773 18.669 1.00 0.00 C ATOM 101 OG SER A 4 65.510 0.897 17.742 1.00 0.00 O ATOM 0 H SER A 4 68.888 2.864 19.484 1.00 0.00 H new ATOM 0 HA SER A 4 67.603 0.303 19.238 1.00 0.00 H new ATOM 0 HB2 SER A 4 65.605 1.762 19.619 1.00 0.00 H new ATOM 0 HB3 SER A 4 66.109 2.797 18.298 1.00 0.00 H new ATOM 0 HG SER A 4 64.580 1.176 17.608 1.00 0.00 H new ATOM 107 N ASP A 5 68.763 0.240 17.053 1.00 0.00 N ATOM 108 CA ASP A 5 69.490 0.181 15.790 1.00 0.00 C ATOM 109 C ASP A 5 69.393 -1.213 15.182 1.00 0.00 C ATOM 110 O ASP A 5 68.751 -2.099 15.746 1.00 0.00 O ATOM 111 CB ASP A 5 70.959 0.541 16.014 1.00 0.00 C ATOM 112 CG ASP A 5 71.600 -0.459 16.970 1.00 0.00 C ATOM 113 OD1 ASP A 5 70.917 -1.386 17.372 1.00 0.00 O ATOM 114 OD2 ASP A 5 72.767 -0.284 17.283 1.00 0.00 O ATOM 0 H ASP A 5 68.617 -0.664 17.503 1.00 0.00 H new ATOM 0 HA ASP A 5 69.043 0.898 15.102 1.00 0.00 H new ATOM 0 HB2 ASP A 5 71.491 0.540 15.063 1.00 0.00 H new ATOM 0 HB3 ASP A 5 71.037 1.549 16.422 1.00 0.00 H new ATOM 119 N VAL A 6 70.038 -1.402 14.033 1.00 0.00 N ATOM 120 CA VAL A 6 70.018 -2.696 13.361 1.00 0.00 C ATOM 121 C VAL A 6 71.386 -3.356 13.442 1.00 0.00 C ATOM 122 O VAL A 6 72.379 -2.811 12.957 1.00 0.00 O ATOM 123 CB VAL A 6 69.623 -2.515 11.895 1.00 0.00 C ATOM 124 CG1 VAL A 6 69.616 -3.876 11.197 1.00 0.00 C ATOM 125 CG2 VAL A 6 68.227 -1.895 11.818 1.00 0.00 C ATOM 0 H VAL A 6 70.576 -0.681 13.552 1.00 0.00 H new ATOM 0 HA VAL A 6 69.287 -3.334 13.857 1.00 0.00 H new ATOM 0 HB VAL A 6 70.341 -1.859 11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 6 69.334 -3.747 10.152 1.00 0.00 H new ATOM 0 HG12 VAL A 6 70.610 -4.319 11.253 1.00 0.00 H new ATOM 0 HG13 VAL A 6 68.898 -4.533 11.688 1.00 0.00 H new ATOM 0 HG21 VAL A 6 67.944 -1.765 10.774 1.00 0.00 H new ATOM 0 HG22 VAL A 6 67.510 -2.552 12.310 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.232 -0.925 12.316 1.00 0.00 H new ATOM 135 N LYS A 7 71.434 -4.533 14.060 1.00 0.00 N ATOM 136 CA LYS A 7 72.692 -5.249 14.198 1.00 0.00 C ATOM 137 C LYS A 7 72.807 -6.336 13.125 1.00 0.00 C ATOM 138 O LYS A 7 71.802 -6.905 12.700 1.00 0.00 O ATOM 139 CB LYS A 7 72.791 -5.888 15.585 1.00 0.00 C ATOM 140 CG LYS A 7 72.759 -4.793 16.649 1.00 0.00 C ATOM 141 CD LYS A 7 72.916 -5.421 18.034 1.00 0.00 C ATOM 142 CE LYS A 7 72.891 -4.322 19.097 1.00 0.00 C ATOM 143 NZ LYS A 7 71.556 -3.660 19.091 1.00 0.00 N ATOM 0 H LYS A 7 70.626 -5.004 14.467 1.00 0.00 H new ATOM 0 HA LYS A 7 73.507 -4.536 14.073 1.00 0.00 H new ATOM 0 HB2 LYS A 7 71.965 -6.583 15.737 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.712 -6.464 15.668 1.00 0.00 H new ATOM 0 HG2 LYS A 7 73.560 -4.075 16.471 1.00 0.00 H new ATOM 0 HG3 LYS A 7 71.819 -4.243 16.592 1.00 0.00 H new ATOM 0 HD2 LYS A 7 72.112 -6.135 18.215 1.00 0.00 H new ATOM 0 HD3 LYS A 7 73.853 -5.975 18.090 1.00 0.00 H new ATOM 0 HE2 LYS A 7 73.095 -4.747 20.080 1.00 0.00 H new ATOM 0 HE3 LYS A 7 73.673 -3.590 18.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 71.350 -3.285 20.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 71.558 -2.880 18.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 70.826 -4.352 18.826 1.00 0.00 H new ATOM 157 N PRO A 8 74.004 -6.638 12.694 1.00 0.00 N ATOM 158 CA PRO A 8 74.250 -7.684 11.658 1.00 0.00 C ATOM 159 C PRO A 8 73.933 -9.088 12.162 1.00 0.00 C ATOM 160 O PRO A 8 74.041 -9.370 13.355 1.00 0.00 O ATOM 161 CB PRO A 8 75.740 -7.542 11.346 1.00 0.00 C ATOM 162 CG PRO A 8 76.344 -6.884 12.528 1.00 0.00 C ATOM 163 CD PRO A 8 75.257 -6.011 13.139 1.00 0.00 C ATOM 0 HA PRO A 8 73.610 -7.549 10.786 1.00 0.00 H new ATOM 0 HB2 PRO A 8 76.196 -8.516 11.166 1.00 0.00 H new ATOM 0 HB3 PRO A 8 75.895 -6.947 10.446 1.00 0.00 H new ATOM 0 HG2 PRO A 8 76.696 -7.624 13.246 1.00 0.00 H new ATOM 0 HG3 PRO A 8 77.207 -6.284 12.239 1.00 0.00 H new ATOM 0 HD2 PRO A 8 75.328 -5.989 14.226 1.00 0.00 H new ATOM 0 HD3 PRO A 8 75.332 -4.980 12.793 1.00 0.00 H new ATOM 171 N LYS A 9 73.542 -9.963 11.244 1.00 0.00 N ATOM 172 CA LYS A 9 73.215 -11.336 11.600 1.00 0.00 C ATOM 173 C LYS A 9 74.402 -12.258 11.352 1.00 0.00 C ATOM 174 O LYS A 9 74.680 -13.155 12.148 1.00 0.00 O ATOM 175 CB LYS A 9 72.020 -11.812 10.783 1.00 0.00 C ATOM 176 CG LYS A 9 71.774 -13.299 11.060 1.00 0.00 C ATOM 177 CD LYS A 9 70.387 -13.699 10.550 1.00 0.00 C ATOM 178 CE LYS A 9 70.364 -13.656 9.019 1.00 0.00 C ATOM 179 NZ LYS A 9 69.087 -14.237 8.523 1.00 0.00 N ATOM 0 H LYS A 9 73.444 -9.747 10.252 1.00 0.00 H new ATOM 0 HA LYS A 9 72.968 -11.365 12.661 1.00 0.00 H new ATOM 0 HB2 LYS A 9 71.134 -11.231 11.041 1.00 0.00 H new ATOM 0 HB3 LYS A 9 72.206 -11.655 9.721 1.00 0.00 H new ATOM 0 HG2 LYS A 9 72.539 -13.901 10.570 1.00 0.00 H new ATOM 0 HG3 LYS A 9 71.849 -13.496 12.129 1.00 0.00 H new ATOM 0 HD2 LYS A 9 70.137 -14.701 10.898 1.00 0.00 H new ATOM 0 HD3 LYS A 9 69.633 -13.023 10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 9 70.466 -12.628 8.672 1.00 0.00 H new ATOM 0 HE3 LYS A 9 71.210 -14.214 8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 69.073 -14.207 7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 69.007 -15.224 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 68.287 -13.687 8.896 1.00 0.00 H new ATOM 193 N SER A 10 75.097 -12.031 10.241 1.00 0.00 N ATOM 194 CA SER A 10 76.254 -12.853 9.899 1.00 0.00 C ATOM 195 C SER A 10 77.124 -12.159 8.855 1.00 0.00 C ATOM 196 O SER A 10 76.732 -11.146 8.276 1.00 0.00 O ATOM 197 CB SER A 10 75.789 -14.205 9.358 1.00 0.00 C ATOM 198 OG SER A 10 75.009 -14.864 10.345 1.00 0.00 O ATOM 0 H SER A 10 74.883 -11.294 9.569 1.00 0.00 H new ATOM 0 HA SER A 10 76.846 -13.003 10.802 1.00 0.00 H new ATOM 0 HB2 SER A 10 75.203 -14.064 8.450 1.00 0.00 H new ATOM 0 HB3 SER A 10 76.650 -14.818 9.090 1.00 0.00 H new ATOM 0 HG SER A 10 75.128 -14.416 11.209 1.00 0.00 H new ATOM 204 N ILE A 11 78.310 -12.709 8.621 1.00 0.00 N ATOM 205 CA ILE A 11 79.224 -12.145 7.636 1.00 0.00 C ATOM 206 C ILE A 11 79.715 -13.226 6.684 1.00 0.00 C ATOM 207 O ILE A 11 80.191 -14.273 7.120 1.00 0.00 O ATOM 208 CB ILE A 11 80.411 -11.478 8.330 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.902 -10.388 9.277 1.00 0.00 C ATOM 210 CG2 ILE A 11 81.331 -10.852 7.281 1.00 0.00 C ATOM 211 CD1 ILE A 11 79.940 -10.902 10.716 1.00 0.00 C ATOM 0 H ILE A 11 78.660 -13.540 9.097 1.00 0.00 H new ATOM 0 HA ILE A 11 78.686 -11.392 7.061 1.00 0.00 H new ATOM 0 HB ILE A 11 80.965 -12.225 8.899 1.00 0.00 H new ATOM 0 HG12 ILE A 11 80.518 -9.494 9.183 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.885 -10.104 9.008 1.00 0.00 H new ATOM 0 HG21 ILE A 11 82.177 -10.376 7.777 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.694 -11.627 6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.778 -10.105 6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 11 79.578 -10.125 11.389 1.00 0.00 H new ATOM 0 HD12 ILE A 11 79.306 -11.784 10.804 1.00 0.00 H new ATOM 0 HD13 ILE A 11 80.964 -11.164 10.982 1.00 0.00 H new ATOM 223 N SER A 12 79.600 -12.963 5.383 1.00 0.00 N ATOM 224 CA SER A 12 80.034 -13.917 4.368 1.00 0.00 C ATOM 225 C SER A 12 81.132 -13.313 3.509 1.00 0.00 C ATOM 226 O SER A 12 81.483 -12.145 3.666 1.00 0.00 O ATOM 227 CB SER A 12 78.857 -14.325 3.484 1.00 0.00 C ATOM 228 OG SER A 12 77.884 -14.992 4.277 1.00 0.00 O ATOM 0 H SER A 12 79.210 -12.098 5.009 1.00 0.00 H new ATOM 0 HA SER A 12 80.423 -14.801 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 12 78.418 -13.445 3.013 1.00 0.00 H new ATOM 0 HB3 SER A 12 79.199 -14.978 2.682 1.00 0.00 H new ATOM 0 HG SER A 12 77.126 -15.254 3.713 1.00 0.00 H new ATOM 234 N ARG A 13 81.671 -14.118 2.598 1.00 0.00 N ATOM 235 CA ARG A 13 82.735 -13.656 1.715 1.00 0.00 C ATOM 236 C ARG A 13 82.281 -13.694 0.262 1.00 0.00 C ATOM 237 O ARG A 13 81.715 -14.684 -0.200 1.00 0.00 O ATOM 238 CB ARG A 13 83.986 -14.533 1.881 1.00 0.00 C ATOM 239 CG ARG A 13 84.872 -14.007 3.023 1.00 0.00 C ATOM 240 CD ARG A 13 84.327 -14.502 4.363 1.00 0.00 C ATOM 241 NE ARG A 13 85.152 -14.004 5.452 1.00 0.00 N ATOM 242 CZ ARG A 13 84.689 -13.954 6.696 1.00 0.00 C ATOM 243 NH1 ARG A 13 83.472 -14.351 6.957 1.00 0.00 N ATOM 244 NH2 ARG A 13 85.447 -13.501 7.654 1.00 0.00 N ATOM 0 H ARG A 13 81.390 -15.088 2.453 1.00 0.00 H new ATOM 0 HA ARG A 13 82.976 -12.628 1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.690 -15.561 2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.553 -14.546 0.950 1.00 0.00 H new ATOM 0 HG2 ARG A 13 85.898 -14.348 2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 13 84.894 -12.917 3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 13 83.298 -14.166 4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 13 84.311 -15.592 4.378 1.00 0.00 H new ATOM 0 HE ARG A 13 86.102 -13.688 5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 13 82.877 -14.700 6.205 1.00 0.00 H new ATOM 0 HH12 ARG A 13 83.117 -14.312 7.912 1.00 0.00 H new ATOM 0 HH21 ARG A 13 86.395 -13.185 7.448 1.00 0.00 H new ATOM 0 HH22 ARG A 13 85.093 -13.462 8.610 1.00 0.00 H new ATOM 258 N ALA A 14 82.534 -12.600 -0.450 1.00 0.00 N ATOM 259 CA ALA A 14 82.151 -12.507 -1.851 1.00 0.00 C ATOM 260 C ALA A 14 82.999 -13.434 -2.710 1.00 0.00 C ATOM 261 O ALA A 14 84.139 -13.741 -2.363 1.00 0.00 O ATOM 262 CB ALA A 14 82.304 -11.071 -2.334 1.00 0.00 C ATOM 0 H ALA A 14 83.000 -11.771 -0.081 1.00 0.00 H new ATOM 0 HA ALA A 14 81.109 -12.813 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.016 -11.007 -3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 14 81.663 -10.418 -1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.342 -10.759 -2.223 1.00 0.00 H new ATOM 268 N LYS A 15 82.435 -13.886 -3.823 1.00 0.00 N ATOM 269 CA LYS A 15 83.153 -14.788 -4.719 1.00 0.00 C ATOM 270 C LYS A 15 83.807 -14.009 -5.849 1.00 0.00 C ATOM 271 O LYS A 15 84.937 -14.303 -6.242 1.00 0.00 O ATOM 272 CB LYS A 15 82.184 -15.815 -5.300 1.00 0.00 C ATOM 273 CG LYS A 15 81.530 -16.608 -4.165 1.00 0.00 C ATOM 274 CD LYS A 15 82.423 -17.789 -3.780 1.00 0.00 C ATOM 275 CE LYS A 15 81.774 -18.566 -2.636 1.00 0.00 C ATOM 276 NZ LYS A 15 81.772 -17.725 -1.406 1.00 0.00 N ATOM 0 H LYS A 15 81.491 -13.646 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 15 83.930 -15.298 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.420 -15.313 -5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.715 -16.491 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 15 81.372 -15.962 -3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 15 80.550 -16.968 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 15 82.571 -18.442 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 15 83.407 -17.431 -3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 15 80.754 -18.843 -2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 15 82.319 -19.493 -2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 81.657 -18.333 -0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 82.672 -17.209 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 80.986 -17.046 -1.451 1.00 0.00 H new ATOM 290 N LYS A 16 83.094 -13.006 -6.364 1.00 0.00 N ATOM 291 CA LYS A 16 83.627 -12.185 -7.447 1.00 0.00 C ATOM 292 C LYS A 16 83.457 -10.699 -7.139 1.00 0.00 C ATOM 293 O LYS A 16 83.014 -10.322 -6.056 1.00 0.00 O ATOM 294 CB LYS A 16 82.923 -12.528 -8.762 1.00 0.00 C ATOM 295 CG LYS A 16 83.930 -12.523 -9.917 1.00 0.00 C ATOM 296 CD LYS A 16 84.595 -13.898 -10.014 1.00 0.00 C ATOM 297 CE LYS A 16 85.642 -13.881 -11.127 1.00 0.00 C ATOM 298 NZ LYS A 16 84.967 -13.671 -12.438 1.00 0.00 N ATOM 0 H LYS A 16 82.158 -12.746 -6.052 1.00 0.00 H new ATOM 0 HA LYS A 16 84.692 -12.397 -7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 16 82.451 -13.507 -8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.130 -11.806 -8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 16 83.426 -12.283 -10.853 1.00 0.00 H new ATOM 0 HG3 LYS A 16 84.684 -11.752 -9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 16 85.063 -14.155 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 16 83.845 -14.663 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 16 86.367 -13.087 -10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 16 86.194 -14.821 -11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 85.612 -13.941 -13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 84.109 -14.256 -12.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 84.708 -12.669 -12.539 1.00 0.00 H new ATOM 312 N TRP A 17 83.811 -9.860 -8.102 1.00 0.00 N ATOM 313 CA TRP A 17 83.694 -8.416 -7.925 1.00 0.00 C ATOM 314 C TRP A 17 82.390 -7.882 -8.504 1.00 0.00 C ATOM 315 O TRP A 17 82.083 -8.105 -9.675 1.00 0.00 O ATOM 316 CB TRP A 17 84.878 -7.721 -8.592 1.00 0.00 C ATOM 317 CG TRP A 17 84.627 -6.249 -8.628 1.00 0.00 C ATOM 318 CD1 TRP A 17 84.843 -5.394 -7.601 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.120 -5.445 -9.733 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.497 -4.119 -8.005 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.046 -4.102 -9.313 1.00 0.00 C ATOM 322 CE3 TRP A 17 83.719 -5.751 -11.047 1.00 0.00 C ATOM 323 CZ2 TRP A 17 83.595 -3.088 -10.162 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.262 -4.736 -11.905 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.203 -3.405 -11.463 1.00 0.00 C ATOM 0 H TRP A 17 84.179 -10.149 -9.008 1.00 0.00 H new ATOM 0 HA TRP A 17 83.694 -8.207 -6.855 1.00 0.00 H new ATOM 0 HB2 TRP A 17 85.796 -7.932 -8.043 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.017 -8.103 -9.603 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.223 -5.664 -6.627 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.566 -3.292 -7.412 1.00 0.00 H new ATOM 0 HE3 TRP A 17 83.763 -6.771 -11.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 83.550 -2.067 -9.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 82.954 -4.982 -12.911 1.00 0.00 H new ATOM 0 HH2 TRP A 17 82.855 -2.628 -12.128 1.00 0.00 H new ATOM 336 N SER A 18 81.630 -7.169 -7.679 1.00 0.00 N ATOM 337 CA SER A 18 80.362 -6.602 -8.120 1.00 0.00 C ATOM 338 C SER A 18 80.056 -5.319 -7.355 1.00 0.00 C ATOM 339 O SER A 18 80.494 -5.142 -6.220 1.00 0.00 O ATOM 340 CB SER A 18 79.230 -7.609 -7.917 1.00 0.00 C ATOM 341 OG SER A 18 78.000 -7.012 -8.307 1.00 0.00 O ATOM 0 H SER A 18 81.869 -6.971 -6.707 1.00 0.00 H new ATOM 0 HA SER A 18 80.443 -6.368 -9.182 1.00 0.00 H new ATOM 0 HB2 SER A 18 79.416 -8.507 -8.506 1.00 0.00 H new ATOM 0 HB3 SER A 18 79.184 -7.917 -6.872 1.00 0.00 H new ATOM 0 HG SER A 18 77.270 -7.654 -8.181 1.00 0.00 H new ATOM 347 N GLU A 19 79.311 -4.421 -7.992 1.00 0.00 N ATOM 348 CA GLU A 19 78.965 -3.151 -7.365 1.00 0.00 C ATOM 349 C GLU A 19 78.589 -3.369 -5.904 1.00 0.00 C ATOM 350 O GLU A 19 78.749 -2.477 -5.072 1.00 0.00 O ATOM 351 CB GLU A 19 77.786 -2.512 -8.107 1.00 0.00 C ATOM 352 CG GLU A 19 76.535 -3.384 -7.936 1.00 0.00 C ATOM 353 CD GLU A 19 75.406 -2.853 -8.810 1.00 0.00 C ATOM 354 OE1 GLU A 19 75.628 -1.874 -9.503 1.00 0.00 O ATOM 355 OE2 GLU A 19 74.334 -3.433 -8.774 1.00 0.00 O ATOM 0 H GLU A 19 78.938 -4.547 -8.933 1.00 0.00 H new ATOM 0 HA GLU A 19 79.829 -2.488 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 19 77.599 -1.511 -7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 19 78.025 -2.405 -9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 19 76.761 -4.415 -8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.225 -3.389 -6.891 1.00 0.00 H new ATOM 362 N GLU A 20 78.096 -4.565 -5.598 1.00 0.00 N ATOM 363 CA GLU A 20 77.715 -4.891 -4.231 1.00 0.00 C ATOM 364 C GLU A 20 78.948 -5.003 -3.338 1.00 0.00 C ATOM 365 O GLU A 20 78.935 -4.560 -2.190 1.00 0.00 O ATOM 366 CB GLU A 20 76.940 -6.209 -4.202 1.00 0.00 C ATOM 367 CG GLU A 20 75.567 -6.005 -4.847 1.00 0.00 C ATOM 368 CD GLU A 20 74.836 -7.339 -4.950 1.00 0.00 C ATOM 369 OE1 GLU A 20 75.470 -8.358 -4.733 1.00 0.00 O ATOM 370 OE2 GLU A 20 73.653 -7.321 -5.244 1.00 0.00 O ATOM 0 H GLU A 20 77.952 -5.317 -6.272 1.00 0.00 H new ATOM 0 HA GLU A 20 77.081 -4.089 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.494 -6.981 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.824 -6.553 -3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 20 74.979 -5.303 -4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.683 -5.567 -5.838 1.00 0.00 H new ATOM 377 N ILE A 21 80.007 -5.610 -3.870 1.00 0.00 N ATOM 378 CA ILE A 21 81.232 -5.791 -3.097 1.00 0.00 C ATOM 379 C ILE A 21 81.952 -4.465 -2.940 1.00 0.00 C ATOM 380 O ILE A 21 82.188 -4.005 -1.821 1.00 0.00 O ATOM 381 CB ILE A 21 82.151 -6.794 -3.805 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.306 -7.917 -4.406 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.151 -7.387 -2.805 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.321 -8.450 -3.363 1.00 0.00 C ATOM 0 H ILE A 21 80.042 -5.980 -4.820 1.00 0.00 H new ATOM 0 HA ILE A 21 80.971 -6.173 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 21 82.699 -6.281 -4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.762 -7.548 -5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 21 81.952 -8.723 -4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.799 -8.098 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.756 -6.587 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.610 -7.898 -2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.724 -9.250 -3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 21 80.872 -8.837 -2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.664 -7.643 -3.037 1.00 0.00 H new ATOM 396 N GLU A 22 82.311 -3.858 -4.062 1.00 0.00 N ATOM 397 CA GLU A 22 83.030 -2.597 -4.020 1.00 0.00 C ATOM 398 C GLU A 22 82.349 -1.642 -3.066 1.00 0.00 C ATOM 399 O GLU A 22 83.000 -1.027 -2.226 1.00 0.00 O ATOM 400 CB GLU A 22 83.059 -1.974 -5.418 1.00 0.00 C ATOM 401 CG GLU A 22 83.635 -0.555 -5.358 1.00 0.00 C ATOM 402 CD GLU A 22 85.021 -0.588 -4.727 1.00 0.00 C ATOM 403 OE1 GLU A 22 85.699 -1.591 -4.882 1.00 0.00 O ATOM 404 OE2 GLU A 22 85.381 0.385 -4.085 1.00 0.00 O ATOM 0 H GLU A 22 82.119 -4.213 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 22 84.048 -2.784 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.662 -2.590 -6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 22 82.051 -1.947 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.692 -0.133 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 22 82.976 0.091 -4.777 1.00 0.00 H new ATOM 411 N ASN A 23 81.043 -1.502 -3.199 1.00 0.00 N ATOM 412 CA ASN A 23 80.306 -0.593 -2.334 1.00 0.00 C ATOM 413 C ASN A 23 80.520 -0.940 -0.864 1.00 0.00 C ATOM 414 O ASN A 23 80.883 -0.084 -0.064 1.00 0.00 O ATOM 415 CB ASN A 23 78.816 -0.717 -2.641 1.00 0.00 C ATOM 416 CG ASN A 23 78.013 0.192 -1.732 1.00 0.00 C ATOM 417 OD1 ASN A 23 77.542 1.244 -2.158 1.00 0.00 O ATOM 418 ND2 ASN A 23 77.817 -0.172 -0.497 1.00 0.00 N ATOM 0 H ASN A 23 80.475 -1.997 -3.887 1.00 0.00 H new ATOM 0 HA ASN A 23 80.664 0.420 -2.516 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.630 -0.457 -3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.495 -1.750 -2.508 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.268 0.418 0.128 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.213 -1.047 -0.154 1.00 0.00 H new ATOM 425 N LEU A 24 80.301 -2.198 -0.508 1.00 0.00 N ATOM 426 CA LEU A 24 80.461 -2.611 0.878 1.00 0.00 C ATOM 427 C LEU A 24 81.851 -2.264 1.367 1.00 0.00 C ATOM 428 O LEU A 24 82.008 -1.798 2.485 1.00 0.00 O ATOM 429 CB LEU A 24 80.226 -4.117 0.994 1.00 0.00 C ATOM 430 CG LEU A 24 78.734 -4.418 0.839 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.537 -5.914 0.613 1.00 0.00 C ATOM 432 CD2 LEU A 24 77.974 -3.998 2.110 1.00 0.00 C ATOM 0 H LEU A 24 80.017 -2.939 -1.148 1.00 0.00 H new ATOM 0 HA LEU A 24 79.732 -2.085 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.795 -4.644 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.581 -4.477 1.959 1.00 0.00 H new ATOM 0 HG LEU A 24 78.348 -3.859 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.474 -6.128 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.064 -6.218 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 24 78.932 -6.466 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 24 76.913 -4.217 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.363 -4.550 2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.107 -2.929 2.277 1.00 0.00 H new ATOM 444 N TYR A 25 82.845 -2.464 0.521 1.00 0.00 N ATOM 445 CA TYR A 25 84.213 -2.136 0.886 1.00 0.00 C ATOM 446 C TYR A 25 84.334 -0.644 1.186 1.00 0.00 C ATOM 447 O TYR A 25 84.904 -0.251 2.199 1.00 0.00 O ATOM 448 CB TYR A 25 85.160 -2.505 -0.254 1.00 0.00 C ATOM 449 CG TYR A 25 86.556 -2.032 0.069 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.370 -2.777 0.931 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.039 -0.845 -0.497 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.664 -2.336 1.226 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.333 -0.403 -0.201 1.00 0.00 C ATOM 454 CZ TYR A 25 89.147 -1.149 0.661 1.00 0.00 C ATOM 455 OH TYR A 25 90.424 -0.715 0.952 1.00 0.00 O ATOM 0 H TYR A 25 82.734 -2.849 -0.417 1.00 0.00 H new ATOM 0 HA TYR A 25 84.482 -2.703 1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.158 -3.584 -0.406 1.00 0.00 H new ATOM 0 HB3 TYR A 25 84.818 -2.051 -1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 25 86.999 -3.692 1.368 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.412 -0.271 -1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.292 -2.912 1.890 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.704 0.513 -0.637 1.00 0.00 H new ATOM 0 HH TYR A 25 90.601 0.124 0.477 1.00 0.00 H new ATOM 465 N ARG A 26 83.796 0.184 0.293 1.00 0.00 N ATOM 466 CA ARG A 26 83.872 1.630 0.479 1.00 0.00 C ATOM 467 C ARG A 26 83.150 2.059 1.753 1.00 0.00 C ATOM 468 O ARG A 26 83.709 2.780 2.579 1.00 0.00 O ATOM 469 CB ARG A 26 83.227 2.339 -0.714 1.00 0.00 C ATOM 470 CG ARG A 26 84.066 2.111 -1.973 1.00 0.00 C ATOM 471 CD ARG A 26 83.581 3.040 -3.086 1.00 0.00 C ATOM 472 NE ARG A 26 84.265 2.724 -4.334 1.00 0.00 N ATOM 473 CZ ARG A 26 84.281 3.585 -5.343 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.688 4.738 -5.229 1.00 0.00 N ATOM 475 NH2 ARG A 26 84.873 3.266 -6.459 1.00 0.00 N ATOM 0 H ARG A 26 83.311 -0.115 -0.553 1.00 0.00 H new ATOM 0 HA ARG A 26 84.924 1.903 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.216 1.963 -0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.143 3.407 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.118 2.300 -1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 26 83.987 1.072 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.504 2.934 -3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 26 83.769 4.078 -2.812 1.00 0.00 H new ATOM 0 HE ARG A 26 84.739 1.826 -4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.209 4.982 -4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.702 5.398 -6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.323 2.356 -6.556 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.886 3.927 -7.236 1.00 0.00 H new ATOM 489 N PHE A 27 81.912 1.600 1.919 1.00 0.00 N ATOM 490 CA PHE A 27 81.140 1.954 3.110 1.00 0.00 C ATOM 491 C PHE A 27 81.818 1.407 4.362 1.00 0.00 C ATOM 492 O PHE A 27 81.991 2.121 5.348 1.00 0.00 O ATOM 493 CB PHE A 27 79.713 1.413 2.985 1.00 0.00 C ATOM 494 CG PHE A 27 78.882 2.374 2.154 1.00 0.00 C ATOM 495 CD1 PHE A 27 78.883 2.293 0.757 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.106 3.350 2.783 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.116 3.181 0.000 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.341 4.236 2.016 1.00 0.00 C ATOM 499 CZ PHE A 27 77.347 4.148 0.630 1.00 0.00 C ATOM 0 H PHE A 27 81.428 0.993 1.258 1.00 0.00 H new ATOM 0 HA PHE A 27 81.094 3.040 3.195 1.00 0.00 H new ATOM 0 HB2 PHE A 27 79.725 0.428 2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.270 1.292 3.974 1.00 0.00 H new ATOM 0 HD1 PHE A 27 79.479 1.541 0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 27 78.096 3.421 3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.122 3.115 -1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 27 76.743 4.992 2.504 1.00 0.00 H new ATOM 0 HZ PHE A 27 76.753 4.833 0.043 1.00 0.00 H new ATOM 509 N GLN A 28 82.197 0.138 4.310 1.00 0.00 N ATOM 510 CA GLN A 28 82.859 -0.498 5.443 1.00 0.00 C ATOM 511 C GLN A 28 84.096 0.300 5.822 1.00 0.00 C ATOM 512 O GLN A 28 84.364 0.517 7.002 1.00 0.00 O ATOM 513 CB GLN A 28 83.255 -1.932 5.085 1.00 0.00 C ATOM 514 CG GLN A 28 82.023 -2.842 5.148 1.00 0.00 C ATOM 515 CD GLN A 28 82.362 -4.215 4.579 1.00 0.00 C ATOM 516 OE1 GLN A 28 83.525 -4.614 4.571 1.00 0.00 O ATOM 517 NE2 GLN A 28 81.409 -4.967 4.108 1.00 0.00 N ATOM 0 H GLN A 28 82.059 -0.469 3.502 1.00 0.00 H new ATOM 0 HA GLN A 28 82.172 -0.525 6.289 1.00 0.00 H new ATOM 0 HB2 GLN A 28 83.689 -1.960 4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.019 -2.291 5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 28 81.685 -2.940 6.180 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.203 -2.398 4.584 1.00 0.00 H new ATOM 0 HE21 GLN A 28 80.445 -4.633 4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 28 81.626 -5.890 3.731 1.00 0.00 H new ATOM 526 N GLN A 29 84.822 0.767 4.817 1.00 0.00 N ATOM 527 CA GLN A 29 86.006 1.584 5.056 1.00 0.00 C ATOM 528 C GLN A 29 85.623 2.890 5.738 1.00 0.00 C ATOM 529 O GLN A 29 86.336 3.376 6.616 1.00 0.00 O ATOM 530 CB GLN A 29 86.723 1.872 3.738 1.00 0.00 C ATOM 531 CG GLN A 29 87.506 0.632 3.297 1.00 0.00 C ATOM 532 CD GLN A 29 88.747 0.472 4.166 1.00 0.00 C ATOM 533 OE1 GLN A 29 89.433 1.453 4.454 1.00 0.00 O ATOM 534 NE2 GLN A 29 89.080 -0.710 4.604 1.00 0.00 N ATOM 0 H GLN A 29 84.615 0.596 3.833 1.00 0.00 H new ATOM 0 HA GLN A 29 86.680 1.033 5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 29 85.999 2.149 2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.400 2.718 3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 29 86.877 -0.255 3.378 1.00 0.00 H new ATOM 0 HG3 GLN A 29 87.793 0.725 2.250 1.00 0.00 H new ATOM 0 HE21 GLN A 29 88.511 -1.522 4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 29 89.910 -0.823 5.186 1.00 0.00 H new ATOM 543 N ALA A 30 84.490 3.457 5.333 1.00 0.00 N ATOM 544 CA ALA A 30 84.015 4.707 5.913 1.00 0.00 C ATOM 545 C ALA A 30 83.580 4.493 7.358 1.00 0.00 C ATOM 546 O ALA A 30 83.442 5.446 8.124 1.00 0.00 O ATOM 547 CB ALA A 30 82.842 5.254 5.097 1.00 0.00 C ATOM 0 H ALA A 30 83.886 3.071 4.607 1.00 0.00 H new ATOM 0 HA ALA A 30 84.832 5.428 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 30 82.495 6.188 5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.165 5.436 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.029 4.528 5.097 1.00 0.00 H new ATOM 553 N GLY A 31 83.355 3.232 7.721 1.00 0.00 N ATOM 554 CA GLY A 31 82.929 2.902 9.073 1.00 0.00 C ATOM 555 C GLY A 31 81.445 2.544 9.114 1.00 0.00 C ATOM 556 O GLY A 31 80.870 2.382 10.190 1.00 0.00 O ATOM 0 H GLY A 31 83.460 2.429 7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.518 2.065 9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.120 3.748 9.734 1.00 0.00 H new ATOM 560 N TYR A 32 80.825 2.424 7.938 1.00 0.00 N ATOM 561 CA TYR A 32 79.418 2.088 7.858 1.00 0.00 C ATOM 562 C TYR A 32 79.236 0.698 7.264 1.00 0.00 C ATOM 563 O TYR A 32 80.010 0.269 6.413 1.00 0.00 O ATOM 564 CB TYR A 32 78.708 3.103 6.975 1.00 0.00 C ATOM 565 CG TYR A 32 79.049 4.505 7.429 1.00 0.00 C ATOM 566 CD1 TYR A 32 78.802 4.906 8.748 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.625 5.402 6.525 1.00 0.00 C ATOM 568 CE1 TYR A 32 79.132 6.203 9.159 1.00 0.00 C ATOM 569 CE2 TYR A 32 79.956 6.697 6.938 1.00 0.00 C ATOM 570 CZ TYR A 32 79.711 7.097 8.255 1.00 0.00 C ATOM 571 OH TYR A 32 80.035 8.375 8.660 1.00 0.00 O ATOM 0 H TYR A 32 81.281 2.556 7.035 1.00 0.00 H new ATOM 0 HA TYR A 32 78.996 2.103 8.863 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.005 2.965 5.935 1.00 0.00 H new ATOM 0 HB3 TYR A 32 77.630 2.948 7.021 1.00 0.00 H new ATOM 0 HD1 TYR A 32 78.357 4.215 9.448 1.00 0.00 H new ATOM 0 HD2 TYR A 32 79.815 5.095 5.507 1.00 0.00 H new ATOM 0 HE1 TYR A 32 78.939 6.513 10.175 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.401 7.389 6.238 1.00 0.00 H new ATOM 0 HH TYR A 32 80.798 8.700 8.138 1.00 0.00 H new ATOM 581 N ARG A 33 78.203 0.004 7.718 1.00 0.00 N ATOM 582 CA ARG A 33 77.923 -1.339 7.221 1.00 0.00 C ATOM 583 C ARG A 33 77.272 -1.283 5.844 1.00 0.00 C ATOM 584 O ARG A 33 77.501 -2.151 5.003 1.00 0.00 O ATOM 585 CB ARG A 33 77.013 -2.079 8.198 1.00 0.00 C ATOM 586 CG ARG A 33 75.739 -1.262 8.425 1.00 0.00 C ATOM 587 CD ARG A 33 75.529 -1.043 9.924 1.00 0.00 C ATOM 588 NE ARG A 33 74.182 -0.548 10.178 1.00 0.00 N ATOM 589 CZ ARG A 33 73.666 -0.566 11.403 1.00 0.00 C ATOM 590 NH1 ARG A 33 74.368 -1.033 12.400 1.00 0.00 N ATOM 591 NH2 ARG A 33 72.457 -0.121 11.608 1.00 0.00 N ATOM 0 H ARG A 33 77.549 0.343 8.423 1.00 0.00 H new ATOM 0 HA ARG A 33 78.868 -1.876 7.133 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.761 -3.063 7.803 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.530 -2.238 9.144 1.00 0.00 H new ATOM 0 HG2 ARG A 33 75.815 -0.302 7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 33 74.881 -1.782 8.000 1.00 0.00 H new ATOM 0 HD2 ARG A 33 75.688 -1.978 10.461 1.00 0.00 H new ATOM 0 HD3 ARG A 33 76.263 -0.331 10.301 1.00 0.00 H new ATOM 0 HE ARG A 33 73.627 -0.182 9.404 1.00 0.00 H new ATOM 0 HH11 ARG A 33 75.312 -1.384 12.239 1.00 0.00 H new ATOM 0 HH12 ARG A 33 73.972 -1.047 13.340 1.00 0.00 H new ATOM 0 HH21 ARG A 33 71.908 0.241 10.828 1.00 0.00 H new ATOM 0 HH22 ARG A 33 72.061 -0.135 12.548 1.00 0.00 H new ATOM 605 N ASP A 34 76.457 -0.257 5.624 1.00 0.00 N ATOM 606 CA ASP A 34 75.776 -0.093 4.348 1.00 0.00 C ATOM 607 C ASP A 34 75.195 1.312 4.229 1.00 0.00 C ATOM 608 O ASP A 34 75.287 2.115 5.158 1.00 0.00 O ATOM 609 CB ASP A 34 74.650 -1.120 4.225 1.00 0.00 C ATOM 610 CG ASP A 34 73.606 -0.886 5.315 1.00 0.00 C ATOM 611 OD1 ASP A 34 73.863 -0.078 6.192 1.00 0.00 O ATOM 612 OD2 ASP A 34 72.559 -1.512 5.252 1.00 0.00 O ATOM 0 H ASP A 34 76.253 0.470 6.310 1.00 0.00 H new ATOM 0 HA ASP A 34 76.500 -0.246 3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 34 74.184 -1.045 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 34 75.056 -2.128 4.309 1.00 0.00 H new ATOM 617 N GLU A 35 74.611 1.602 3.076 1.00 0.00 N ATOM 618 CA GLU A 35 74.030 2.916 2.840 1.00 0.00 C ATOM 619 C GLU A 35 73.120 3.311 3.993 1.00 0.00 C ATOM 620 O GLU A 35 73.064 4.476 4.381 1.00 0.00 O ATOM 621 CB GLU A 35 73.217 2.901 1.547 1.00 0.00 C ATOM 622 CG GLU A 35 74.156 2.857 0.343 1.00 0.00 C ATOM 623 CD GLU A 35 73.358 2.635 -0.938 1.00 0.00 C ATOM 624 OE1 GLU A 35 72.188 2.303 -0.835 1.00 0.00 O ATOM 625 OE2 GLU A 35 73.929 2.803 -2.002 1.00 0.00 O ATOM 0 H GLU A 35 74.527 0.952 2.295 1.00 0.00 H new ATOM 0 HA GLU A 35 74.841 3.640 2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 35 72.554 2.036 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 35 72.585 3.788 1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 35 74.716 3.790 0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 35 74.885 2.056 0.470 1.00 0.00 H new ATOM 632 N ILE A 36 72.397 2.340 4.534 1.00 0.00 N ATOM 633 CA ILE A 36 71.478 2.614 5.635 1.00 0.00 C ATOM 634 C ILE A 36 72.186 3.344 6.772 1.00 0.00 C ATOM 635 O ILE A 36 71.762 4.427 7.179 1.00 0.00 O ATOM 636 CB ILE A 36 70.911 1.297 6.172 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.364 0.465 5.007 1.00 0.00 C ATOM 638 CG2 ILE A 36 69.789 1.582 7.173 1.00 0.00 C ATOM 639 CD1 ILE A 36 69.352 1.285 4.199 1.00 0.00 C ATOM 0 H ILE A 36 72.426 1.365 4.234 1.00 0.00 H new ATOM 0 HA ILE A 36 70.675 3.246 5.255 1.00 0.00 H new ATOM 0 HB ILE A 36 71.703 0.743 6.675 1.00 0.00 H new ATOM 0 HG12 ILE A 36 71.183 0.147 4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 36 69.889 -0.439 5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 36 69.391 0.640 7.551 1.00 0.00 H new ATOM 0 HG22 ILE A 36 70.182 2.169 8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 36 68.994 2.140 6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 36 68.971 0.682 3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 36 68.525 1.581 4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.839 2.176 3.803 1.00 0.00 H new ATOM 651 N GLU A 37 73.256 2.753 7.287 1.00 0.00 N ATOM 652 CA GLU A 37 73.996 3.363 8.383 1.00 0.00 C ATOM 653 C GLU A 37 74.542 4.723 7.966 1.00 0.00 C ATOM 654 O GLU A 37 74.528 5.677 8.743 1.00 0.00 O ATOM 655 CB GLU A 37 75.149 2.447 8.806 1.00 0.00 C ATOM 656 CG GLU A 37 75.817 3.000 10.066 1.00 0.00 C ATOM 657 CD GLU A 37 74.861 2.877 11.246 1.00 0.00 C ATOM 658 OE1 GLU A 37 73.872 2.175 11.108 1.00 0.00 O ATOM 659 OE2 GLU A 37 75.130 3.483 12.269 1.00 0.00 O ATOM 0 H GLU A 37 73.628 1.859 6.967 1.00 0.00 H new ATOM 0 HA GLU A 37 73.319 3.502 9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 37 74.775 1.440 8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.879 2.371 8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.737 2.453 10.272 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.093 4.044 9.916 1.00 0.00 H new ATOM 666 N TYR A 38 75.020 4.807 6.734 1.00 0.00 N ATOM 667 CA TYR A 38 75.562 6.058 6.219 1.00 0.00 C ATOM 668 C TYR A 38 74.511 7.157 6.208 1.00 0.00 C ATOM 669 O TYR A 38 74.778 8.281 6.636 1.00 0.00 O ATOM 670 CB TYR A 38 76.081 5.856 4.807 1.00 0.00 C ATOM 671 CG TYR A 38 76.358 7.200 4.167 1.00 0.00 C ATOM 672 CD1 TYR A 38 77.407 8.000 4.634 1.00 0.00 C ATOM 673 CD2 TYR A 38 75.559 7.646 3.105 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.653 9.245 4.042 1.00 0.00 C ATOM 675 CE2 TYR A 38 75.809 8.890 2.513 1.00 0.00 C ATOM 676 CZ TYR A 38 76.855 9.689 2.981 1.00 0.00 C ATOM 677 OH TYR A 38 77.101 10.918 2.400 1.00 0.00 O ATOM 0 H TYR A 38 75.044 4.029 6.074 1.00 0.00 H new ATOM 0 HA TYR A 38 76.376 6.361 6.878 1.00 0.00 H new ATOM 0 HB2 TYR A 38 76.992 5.257 4.826 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.350 5.305 4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 38 78.026 7.658 5.450 1.00 0.00 H new ATOM 0 HD2 TYR A 38 74.750 7.029 2.743 1.00 0.00 H new ATOM 0 HE1 TYR A 38 78.460 9.864 4.405 1.00 0.00 H new ATOM 0 HE2 TYR A 38 75.193 9.232 1.694 1.00 0.00 H new ATOM 0 HH TYR A 38 76.457 11.073 1.678 1.00 0.00 H new ATOM 687 N LYS A 39 73.323 6.841 5.695 1.00 0.00 N ATOM 688 CA LYS A 39 72.259 7.823 5.613 1.00 0.00 C ATOM 689 C LYS A 39 71.882 8.339 6.993 1.00 0.00 C ATOM 690 O LYS A 39 71.648 9.532 7.174 1.00 0.00 O ATOM 691 CB LYS A 39 71.031 7.190 4.954 1.00 0.00 C ATOM 692 CG LYS A 39 71.311 6.948 3.470 1.00 0.00 C ATOM 693 CD LYS A 39 70.179 6.112 2.863 1.00 0.00 C ATOM 694 CE LYS A 39 70.461 5.857 1.380 1.00 0.00 C ATOM 695 NZ LYS A 39 69.930 6.982 0.566 1.00 0.00 N ATOM 0 H LYS A 39 73.080 5.918 5.334 1.00 0.00 H new ATOM 0 HA LYS A 39 72.613 8.664 5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 39 70.787 6.249 5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.167 7.844 5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.395 7.900 2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.263 6.432 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.089 5.164 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.228 6.633 2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 39 71.534 5.753 1.217 1.00 0.00 H new ATOM 0 HE3 LYS A 39 69.999 4.920 1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 70.109 6.796 -0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 68.906 7.073 0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 70.403 7.865 0.844 1.00 0.00 H new ATOM 709 N GLN A 40 71.823 7.437 7.964 1.00 0.00 N ATOM 710 CA GLN A 40 71.472 7.822 9.322 1.00 0.00 C ATOM 711 C GLN A 40 72.503 8.794 9.889 1.00 0.00 C ATOM 712 O GLN A 40 72.151 9.778 10.536 1.00 0.00 O ATOM 713 CB GLN A 40 71.402 6.578 10.212 1.00 0.00 C ATOM 714 CG GLN A 40 70.950 6.973 11.620 1.00 0.00 C ATOM 715 CD GLN A 40 70.839 5.735 12.503 1.00 0.00 C ATOM 716 OE1 GLN A 40 70.874 4.610 12.003 1.00 0.00 O ATOM 717 NE2 GLN A 40 70.714 5.876 13.793 1.00 0.00 N ATOM 0 H GLN A 40 72.012 6.443 7.837 1.00 0.00 H new ATOM 0 HA GLN A 40 70.499 8.314 9.301 1.00 0.00 H new ATOM 0 HB2 GLN A 40 70.707 5.854 9.787 1.00 0.00 H new ATOM 0 HB3 GLN A 40 72.378 6.095 10.256 1.00 0.00 H new ATOM 0 HG2 GLN A 40 71.661 7.676 12.054 1.00 0.00 H new ATOM 0 HG3 GLN A 40 69.987 7.482 11.572 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.685 6.809 14.204 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.645 5.053 14.392 1.00 0.00 H new ATOM 726 N VAL A 41 73.775 8.512 9.643 1.00 0.00 N ATOM 727 CA VAL A 41 74.844 9.366 10.149 1.00 0.00 C ATOM 728 C VAL A 41 74.752 10.770 9.563 1.00 0.00 C ATOM 729 O VAL A 41 74.887 11.763 10.278 1.00 0.00 O ATOM 730 CB VAL A 41 76.202 8.757 9.800 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.312 9.745 10.158 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.395 7.459 10.588 1.00 0.00 C ATOM 0 H VAL A 41 74.091 7.707 9.102 1.00 0.00 H new ATOM 0 HA VAL A 41 74.737 9.437 11.231 1.00 0.00 H new ATOM 0 HB VAL A 41 76.241 8.542 8.732 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.280 9.310 9.909 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.173 10.668 9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.275 9.962 11.226 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.363 7.023 10.340 1.00 0.00 H new ATOM 0 HG22 VAL A 41 76.356 7.673 11.656 1.00 0.00 H new ATOM 0 HG23 VAL A 41 75.604 6.755 10.330 1.00 0.00 H new ATOM 742 N LYS A 42 74.526 10.845 8.259 1.00 0.00 N ATOM 743 CA LYS A 42 74.425 12.132 7.581 1.00 0.00 C ATOM 744 C LYS A 42 72.974 12.572 7.469 1.00 0.00 C ATOM 745 O LYS A 42 72.677 13.606 6.871 1.00 0.00 O ATOM 746 CB LYS A 42 75.053 12.031 6.189 1.00 0.00 C ATOM 747 CG LYS A 42 76.534 11.662 6.298 1.00 0.00 C ATOM 748 CD LYS A 42 77.342 12.856 6.816 1.00 0.00 C ATOM 749 CE LYS A 42 78.829 12.556 6.686 1.00 0.00 C ATOM 750 NZ LYS A 42 79.607 13.718 7.200 1.00 0.00 N ATOM 0 H LYS A 42 74.409 10.035 7.651 1.00 0.00 H new ATOM 0 HA LYS A 42 74.962 12.878 8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.527 11.280 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 42 74.946 12.981 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.656 10.813 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 42 76.912 11.354 5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.090 13.753 6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.090 13.055 7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.082 11.656 7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.084 12.364 5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.534 13.751 6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.088 14.598 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.743 13.618 8.226 1.00 0.00 H new ATOM 764 N GLN A 43 72.076 11.794 8.059 1.00 0.00 N ATOM 765 CA GLN A 43 70.661 12.130 8.029 1.00 0.00 C ATOM 766 C GLN A 43 70.234 12.531 6.621 1.00 0.00 C ATOM 767 O GLN A 43 69.611 13.575 6.428 1.00 0.00 O ATOM 768 CB GLN A 43 70.371 13.277 8.998 1.00 0.00 C ATOM 769 CG GLN A 43 70.861 12.900 10.396 1.00 0.00 C ATOM 770 CD GLN A 43 72.220 13.543 10.666 1.00 0.00 C ATOM 771 OE1 GLN A 43 72.958 13.854 9.731 1.00 0.00 O ATOM 772 NE2 GLN A 43 72.597 13.759 11.894 1.00 0.00 N ATOM 0 H GLN A 43 72.300 10.934 8.559 1.00 0.00 H new ATOM 0 HA GLN A 43 70.094 11.249 8.332 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.867 14.187 8.660 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.302 13.487 9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.139 13.229 11.144 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.939 11.816 10.483 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.985 13.501 12.668 1.00 0.00 H new ATOM 0 HE22 GLN A 43 73.504 14.186 12.081 1.00 0.00 H new ATOM 781 N VAL A 44 70.572 11.699 5.643 1.00 0.00 N ATOM 782 CA VAL A 44 70.223 11.972 4.250 1.00 0.00 C ATOM 783 C VAL A 44 69.509 10.777 3.634 1.00 0.00 C ATOM 784 O VAL A 44 69.150 9.828 4.332 1.00 0.00 O ATOM 785 CB VAL A 44 71.480 12.293 3.439 1.00 0.00 C ATOM 786 CG1 VAL A 44 72.122 13.575 3.975 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.472 11.140 3.569 1.00 0.00 C ATOM 0 H VAL A 44 71.087 10.830 5.786 1.00 0.00 H new ATOM 0 HA VAL A 44 69.555 12.833 4.229 1.00 0.00 H new ATOM 0 HB VAL A 44 71.211 12.431 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 44 73.017 13.803 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 44 71.415 14.400 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.392 13.437 5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.369 11.365 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.739 11.006 4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 44 72.017 10.225 3.190 1.00 0.00 H new ATOM 797 N ALA A 45 69.294 10.834 2.326 1.00 0.00 N ATOM 798 CA ALA A 45 68.612 9.753 1.629 1.00 0.00 C ATOM 799 C ALA A 45 69.190 9.562 0.230 1.00 0.00 C ATOM 800 O ALA A 45 68.531 9.020 -0.657 1.00 0.00 O ATOM 801 CB ALA A 45 67.121 10.065 1.526 1.00 0.00 C ATOM 0 H ALA A 45 69.580 11.611 1.731 1.00 0.00 H new ATOM 0 HA ALA A 45 68.757 8.833 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.615 9.253 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.701 10.170 2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 45 66.981 10.995 0.974 1.00 0.00 H new ATOM 807 N MET A 46 70.424 10.015 0.037 1.00 0.00 N ATOM 808 CA MET A 46 71.079 9.888 -1.260 1.00 0.00 C ATOM 809 C MET A 46 72.589 10.043 -1.118 1.00 0.00 C ATOM 810 O MET A 46 73.063 10.838 -0.306 1.00 0.00 O ATOM 811 CB MET A 46 70.550 10.966 -2.211 1.00 0.00 C ATOM 812 CG MET A 46 70.789 12.354 -1.604 1.00 0.00 C ATOM 813 SD MET A 46 72.469 12.901 -1.992 1.00 0.00 S ATOM 814 CE MET A 46 72.781 13.789 -0.446 1.00 0.00 C ATOM 0 H MET A 46 70.987 10.470 0.756 1.00 0.00 H new ATOM 0 HA MET A 46 70.862 8.898 -1.661 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.050 10.890 -3.177 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.485 10.815 -2.391 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.063 13.065 -1.999 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.647 12.320 -0.524 1.00 0.00 H new ATOM 0 HE1 MET A 46 73.057 14.820 -0.668 1.00 0.00 H new ATOM 0 HE2 MET A 46 71.880 13.778 0.168 1.00 0.00 H new ATOM 0 HE3 MET A 46 73.594 13.304 0.094 1.00 0.00 H new ATOM 824 N VAL A 47 73.338 9.274 -1.903 1.00 0.00 N ATOM 825 CA VAL A 47 74.794 9.330 -1.852 1.00 0.00 C ATOM 826 C VAL A 47 75.351 9.806 -3.190 1.00 0.00 C ATOM 827 O VAL A 47 74.885 9.387 -4.247 1.00 0.00 O ATOM 828 CB VAL A 47 75.356 7.947 -1.530 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.844 8.068 -1.197 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.602 7.351 -0.342 1.00 0.00 C ATOM 0 H VAL A 47 72.963 8.608 -2.578 1.00 0.00 H new ATOM 0 HA VAL A 47 75.089 10.032 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 47 75.233 7.293 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 47 77.247 7.082 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 47 77.375 8.486 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.972 8.722 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 47 75.004 6.364 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.719 8.000 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.544 7.263 -0.590 1.00 0.00 H new ATOM 840 N ASP A 48 76.343 10.689 -3.136 1.00 0.00 N ATOM 841 CA ASP A 48 76.951 11.220 -4.350 1.00 0.00 C ATOM 842 C ASP A 48 77.742 10.132 -5.065 1.00 0.00 C ATOM 843 O ASP A 48 78.668 9.553 -4.497 1.00 0.00 O ATOM 844 CB ASP A 48 77.880 12.382 -3.999 1.00 0.00 C ATOM 845 CG ASP A 48 78.405 13.032 -5.274 1.00 0.00 C ATOM 846 OD1 ASP A 48 78.321 12.399 -6.315 1.00 0.00 O ATOM 847 OD2 ASP A 48 78.876 14.152 -5.193 1.00 0.00 O ATOM 0 H ASP A 48 76.741 11.050 -2.269 1.00 0.00 H new ATOM 0 HA ASP A 48 76.160 11.575 -5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.345 13.118 -3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.713 12.023 -3.394 1.00 0.00 H new ATOM 852 N ARG A 49 77.365 9.847 -6.309 1.00 0.00 N ATOM 853 CA ARG A 49 78.043 8.813 -7.083 1.00 0.00 C ATOM 854 C ARG A 49 78.288 9.287 -8.508 1.00 0.00 C ATOM 855 O ARG A 49 77.720 10.287 -8.946 1.00 0.00 O ATOM 856 CB ARG A 49 77.202 7.538 -7.112 1.00 0.00 C ATOM 857 CG ARG A 49 76.739 7.201 -5.695 1.00 0.00 C ATOM 858 CD ARG A 49 76.607 5.689 -5.533 1.00 0.00 C ATOM 859 NE ARG A 49 75.615 5.168 -6.466 1.00 0.00 N ATOM 860 CZ ARG A 49 75.282 3.883 -6.469 1.00 0.00 C ATOM 861 NH1 ARG A 49 75.844 3.064 -5.623 1.00 0.00 N ATOM 862 NH2 ARG A 49 74.396 3.441 -7.317 1.00 0.00 N ATOM 0 H ARG A 49 76.601 10.313 -6.798 1.00 0.00 H new ATOM 0 HA ARG A 49 79.001 8.605 -6.607 1.00 0.00 H new ATOM 0 HB2 ARG A 49 76.340 7.673 -7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.786 6.714 -7.521 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.451 7.592 -4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 49 75.782 7.681 -5.493 1.00 0.00 H new ATOM 0 HD2 ARG A 49 77.570 5.211 -5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 49 76.316 5.449 -4.510 1.00 0.00 H new ATOM 0 HE ARG A 49 75.169 5.802 -7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 49 76.538 3.411 -4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 49 75.590 2.076 -5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 49 73.959 4.083 -7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 49 74.140 2.454 -7.319 1.00 0.00 H new ATOM 876 N TRP A 50 79.145 8.570 -9.231 1.00 0.00 N ATOM 877 CA TRP A 50 79.452 8.953 -10.601 1.00 0.00 C ATOM 878 C TRP A 50 78.558 8.205 -11.596 1.00 0.00 C ATOM 879 O TRP A 50 78.300 7.027 -11.433 1.00 0.00 O ATOM 880 CB TRP A 50 80.906 8.642 -10.925 1.00 0.00 C ATOM 881 CG TRP A 50 81.787 9.448 -10.033 1.00 0.00 C ATOM 882 CD1 TRP A 50 82.045 9.168 -8.736 1.00 0.00 C ATOM 883 CD2 TRP A 50 82.536 10.655 -10.350 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.894 10.135 -8.232 1.00 0.00 N ATOM 885 CE2 TRP A 50 83.229 11.072 -9.191 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.678 11.425 -11.520 1.00 0.00 C ATOM 887 CZ2 TRP A 50 84.035 12.209 -9.189 1.00 0.00 C ATOM 888 CZ3 TRP A 50 83.489 12.572 -11.521 1.00 0.00 C ATOM 889 CH2 TRP A 50 84.167 12.962 -10.357 1.00 0.00 C ATOM 0 H TRP A 50 79.630 7.737 -8.897 1.00 0.00 H new ATOM 0 HA TRP A 50 79.271 10.024 -10.690 1.00 0.00 H new ATOM 0 HB2 TRP A 50 81.103 7.579 -10.787 1.00 0.00 H new ATOM 0 HB3 TRP A 50 81.116 8.872 -11.969 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.652 8.327 -8.184 1.00 0.00 H new ATOM 0 HE1 TRP A 50 83.232 10.155 -7.270 1.00 0.00 H new ATOM 0 HE3 TRP A 50 82.161 11.132 -12.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 84.554 12.506 -8.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 83.591 13.157 -12.423 1.00 0.00 H new ATOM 0 HH2 TRP A 50 84.790 13.844 -10.364 1.00 0.00 H new ATOM 900 N PRO A 51 78.101 8.851 -12.628 1.00 0.00 N ATOM 901 CA PRO A 51 77.218 8.208 -13.652 1.00 0.00 C ATOM 902 C PRO A 51 77.933 7.110 -14.438 1.00 0.00 C ATOM 903 O PRO A 51 77.309 6.154 -14.896 1.00 0.00 O ATOM 904 CB PRO A 51 76.836 9.370 -14.568 1.00 0.00 C ATOM 905 CG PRO A 51 77.916 10.381 -14.383 1.00 0.00 C ATOM 906 CD PRO A 51 78.379 10.252 -12.952 1.00 0.00 C ATOM 0 HA PRO A 51 76.363 7.709 -13.197 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.771 9.048 -15.607 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.862 9.780 -14.300 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.739 10.202 -15.075 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.545 11.386 -14.582 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.439 10.485 -12.851 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.839 10.931 -12.293 1.00 0.00 H new ATOM 914 N GLU A 52 79.239 7.272 -14.610 1.00 0.00 N ATOM 915 CA GLU A 52 80.012 6.301 -15.374 1.00 0.00 C ATOM 916 C GLU A 52 79.858 4.905 -14.800 1.00 0.00 C ATOM 917 O GLU A 52 79.549 3.964 -15.532 1.00 0.00 O ATOM 918 CB GLU A 52 81.495 6.687 -15.343 1.00 0.00 C ATOM 919 CG GLU A 52 81.742 7.938 -16.196 1.00 0.00 C ATOM 920 CD GLU A 52 81.472 9.199 -15.382 1.00 0.00 C ATOM 921 OE1 GLU A 52 80.963 9.078 -14.282 1.00 0.00 O ATOM 922 OE2 GLU A 52 81.778 10.273 -15.876 1.00 0.00 O ATOM 0 H GLU A 52 79.778 8.054 -14.237 1.00 0.00 H new ATOM 0 HA GLU A 52 79.639 6.303 -16.398 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.807 6.873 -14.315 1.00 0.00 H new ATOM 0 HB3 GLU A 52 82.100 5.860 -15.715 1.00 0.00 H new ATOM 0 HG2 GLU A 52 82.771 7.943 -16.556 1.00 0.00 H new ATOM 0 HG3 GLU A 52 81.097 7.920 -17.075 1.00 0.00 H new ATOM 929 N THR A 53 80.060 4.770 -13.496 1.00 0.00 N ATOM 930 CA THR A 53 79.934 3.470 -12.857 1.00 0.00 C ATOM 931 C THR A 53 78.845 3.497 -11.790 1.00 0.00 C ATOM 932 O THR A 53 78.187 2.487 -11.540 1.00 0.00 O ATOM 933 CB THR A 53 81.259 3.086 -12.209 1.00 0.00 C ATOM 934 OG1 THR A 53 81.475 3.890 -11.057 1.00 0.00 O ATOM 935 CG2 THR A 53 82.404 3.306 -13.199 1.00 0.00 C ATOM 0 H THR A 53 80.309 5.535 -12.868 1.00 0.00 H new ATOM 0 HA THR A 53 79.665 2.737 -13.618 1.00 0.00 H new ATOM 0 HB THR A 53 81.225 2.035 -11.923 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.654 3.314 -10.285 1.00 0.00 H new ATOM 0 HG21 THR A 53 83.348 3.030 -12.730 1.00 0.00 H new ATOM 0 HG22 THR A 53 82.244 2.689 -14.083 1.00 0.00 H new ATOM 0 HG23 THR A 53 82.437 4.356 -13.490 1.00 0.00 H new ATOM 943 N GLY A 54 78.655 4.654 -11.163 1.00 0.00 N ATOM 944 CA GLY A 54 77.638 4.777 -10.116 1.00 0.00 C ATOM 945 C GLY A 54 78.220 4.465 -8.749 1.00 0.00 C ATOM 946 O GLY A 54 77.486 4.185 -7.810 1.00 0.00 O ATOM 0 H GLY A 54 79.180 5.507 -11.354 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.229 5.788 -10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.811 4.098 -10.326 1.00 0.00 H new ATOM 950 N TYR A 55 79.542 4.515 -8.643 1.00 0.00 N ATOM 951 CA TYR A 55 80.205 4.235 -7.374 1.00 0.00 C ATOM 952 C TYR A 55 80.237 5.467 -6.492 1.00 0.00 C ATOM 953 O TYR A 55 80.075 6.588 -6.970 1.00 0.00 O ATOM 954 CB TYR A 55 81.624 3.729 -7.618 1.00 0.00 C ATOM 955 CG TYR A 55 81.600 2.418 -8.384 1.00 0.00 C ATOM 956 CD1 TYR A 55 80.622 1.445 -8.132 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.569 2.179 -9.361 1.00 0.00 C ATOM 958 CE1 TYR A 55 80.615 0.258 -8.851 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.559 0.981 -10.085 1.00 0.00 C ATOM 960 CZ TYR A 55 81.577 0.022 -9.829 1.00 0.00 C ATOM 961 OH TYR A 55 81.549 -1.157 -10.538 1.00 0.00 O ATOM 0 H TYR A 55 80.172 4.744 -9.412 1.00 0.00 H new ATOM 0 HA TYR A 55 79.635 3.462 -6.860 1.00 0.00 H new ATOM 0 HB2 TYR A 55 82.190 4.473 -8.178 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.135 3.590 -6.665 1.00 0.00 H new ATOM 0 HD1 TYR A 55 79.871 1.620 -7.375 1.00 0.00 H new ATOM 0 HD2 TYR A 55 83.329 2.921 -9.559 1.00 0.00 H new ATOM 0 HE1 TYR A 55 79.859 -0.487 -8.651 1.00 0.00 H new ATOM 0 HE2 TYR A 55 83.309 0.799 -10.840 1.00 0.00 H new ATOM 0 HH TYR A 55 82.466 -1.448 -10.725 1.00 0.00 H new ATOM 971 N VAL A 56 80.422 5.246 -5.192 1.00 0.00 N ATOM 972 CA VAL A 56 80.446 6.346 -4.242 1.00 0.00 C ATOM 973 C VAL A 56 81.551 7.329 -4.590 1.00 0.00 C ATOM 974 O VAL A 56 82.717 6.956 -4.698 1.00 0.00 O ATOM 975 CB VAL A 56 80.673 5.810 -2.825 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.753 6.980 -1.843 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.519 4.889 -2.428 1.00 0.00 C ATOM 0 H VAL A 56 80.556 4.323 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 56 79.486 6.860 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 56 81.606 5.248 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.914 6.598 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.581 7.632 -2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.821 7.544 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.686 4.511 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.583 5.446 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.465 4.053 -3.125 1.00 0.00 H new ATOM 987 N LYS A 57 81.172 8.592 -4.765 1.00 0.00 N ATOM 988 CA LYS A 57 82.139 9.631 -5.094 1.00 0.00 C ATOM 989 C LYS A 57 82.916 10.056 -3.857 1.00 0.00 C ATOM 990 O LYS A 57 84.143 10.140 -3.879 1.00 0.00 O ATOM 991 CB LYS A 57 81.422 10.841 -5.699 1.00 0.00 C ATOM 992 CG LYS A 57 82.406 12.010 -5.830 1.00 0.00 C ATOM 993 CD LYS A 57 81.773 13.121 -6.664 1.00 0.00 C ATOM 994 CE LYS A 57 82.646 14.375 -6.590 1.00 0.00 C ATOM 995 NZ LYS A 57 82.059 15.439 -7.452 1.00 0.00 N ATOM 0 H LYS A 57 80.209 8.918 -4.685 1.00 0.00 H new ATOM 0 HA LYS A 57 82.842 9.227 -5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 57 81.015 10.584 -6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.580 11.130 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.670 12.388 -4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.329 11.670 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.669 12.798 -7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.771 13.340 -6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.715 14.723 -5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 57 83.660 14.145 -6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.652 16.292 -7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 82.016 15.104 -8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 81.099 15.664 -7.120 1.00 0.00 H new ATOM 1009 N LYS A 58 82.190 10.330 -2.781 1.00 0.00 N ATOM 1010 CA LYS A 58 82.822 10.756 -1.542 1.00 0.00 C ATOM 1011 C LYS A 58 82.130 10.140 -0.337 1.00 0.00 C ATOM 1012 O LYS A 58 80.914 9.943 -0.340 1.00 0.00 O ATOM 1013 CB LYS A 58 82.763 12.285 -1.429 1.00 0.00 C ATOM 1014 CG LYS A 58 81.300 12.749 -1.434 1.00 0.00 C ATOM 1015 CD LYS A 58 81.241 14.273 -1.309 1.00 0.00 C ATOM 1016 CE LYS A 58 79.780 14.728 -1.315 1.00 0.00 C ATOM 1017 NZ LYS A 58 79.720 16.206 -1.140 1.00 0.00 N ATOM 0 H LYS A 58 81.173 10.265 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 58 83.860 10.422 -1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.255 12.611 -0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.302 12.742 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 58 80.811 12.431 -2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 58 80.759 12.286 -0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 58 81.729 14.592 -0.388 1.00 0.00 H new ATOM 0 HD3 LYS A 58 81.781 14.738 -2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 58 79.303 14.442 -2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.231 14.234 -0.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 78.727 16.516 -1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 80.160 16.467 -0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 80.230 16.669 -1.919 1.00 0.00 H new ATOM 1031 N LEU A 59 82.906 9.847 0.699 1.00 0.00 N ATOM 1032 CA LEU A 59 82.342 9.268 1.907 1.00 0.00 C ATOM 1033 C LEU A 59 83.077 9.768 3.146 1.00 0.00 C ATOM 1034 O LEU A 59 84.302 9.852 3.158 1.00 0.00 O ATOM 1035 CB LEU A 59 82.447 7.751 1.855 1.00 0.00 C ATOM 1036 CG LEU A 59 81.116 7.115 2.194 1.00 0.00 C ATOM 1037 CD1 LEU A 59 81.237 5.592 2.213 1.00 0.00 C ATOM 1038 CD2 LEU A 59 80.646 7.595 3.564 1.00 0.00 C ATOM 0 H LEU A 59 83.914 9.999 0.726 1.00 0.00 H new ATOM 0 HA LEU A 59 81.296 9.570 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.764 7.437 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.209 7.409 2.556 1.00 0.00 H new ATOM 0 HG LEU A 59 80.393 7.406 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 59 80.270 5.153 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 59 81.557 5.240 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 59 81.971 5.295 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 59 79.688 7.134 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 59 81.381 7.316 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 59 80.533 8.679 3.551 1.00 0.00 H new ATOM 1050 N GLN A 60 82.325 10.088 4.193 1.00 0.00 N ATOM 1051 CA GLN A 60 82.925 10.565 5.432 1.00 0.00 C ATOM 1052 C GLN A 60 83.230 9.394 6.357 1.00 0.00 C ATOM 1053 O GLN A 60 82.388 8.527 6.575 1.00 0.00 O ATOM 1054 CB GLN A 60 81.976 11.534 6.135 1.00 0.00 C ATOM 1055 CG GLN A 60 82.728 12.274 7.244 1.00 0.00 C ATOM 1056 CD GLN A 60 81.766 12.633 8.373 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.901 11.834 8.730 1.00 0.00 O ATOM 1058 NE2 GLN A 60 81.869 13.790 8.965 1.00 0.00 N ATOM 0 H GLN A 60 81.307 10.026 4.209 1.00 0.00 H new ATOM 0 HA GLN A 60 83.854 11.080 5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.571 12.248 5.417 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.130 10.990 6.555 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.535 11.650 7.627 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.187 13.178 6.844 1.00 0.00 H new ATOM 0 HE21 GLN A 60 82.586 14.452 8.669 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.233 14.033 9.724 1.00 0.00 H new ATOM 1067 N ARG A 61 84.443 9.370 6.888 1.00 0.00 N ATOM 1068 CA ARG A 61 84.857 8.291 7.777 1.00 0.00 C ATOM 1069 C ARG A 61 84.197 8.430 9.143 1.00 0.00 C ATOM 1070 O ARG A 61 83.657 9.482 9.482 1.00 0.00 O ATOM 1071 CB ARG A 61 86.377 8.298 7.945 1.00 0.00 C ATOM 1072 CG ARG A 61 87.052 8.408 6.575 1.00 0.00 C ATOM 1073 CD ARG A 61 87.867 7.145 6.294 1.00 0.00 C ATOM 1074 NE ARG A 61 88.809 6.899 7.378 1.00 0.00 N ATOM 1075 CZ ARG A 61 89.525 5.781 7.425 1.00 0.00 C ATOM 1076 NH1 ARG A 61 89.397 4.884 6.486 1.00 0.00 N ATOM 1077 NH2 ARG A 61 90.357 5.583 8.410 1.00 0.00 N ATOM 0 H ARG A 61 85.156 10.080 6.721 1.00 0.00 H new ATOM 0 HA ARG A 61 84.545 7.348 7.329 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.678 9.134 8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.700 7.386 8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.299 8.546 5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 61 87.701 9.283 6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 61 87.199 6.291 6.182 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.406 7.254 5.353 1.00 0.00 H new ATOM 0 HE ARG A 61 88.921 7.597 8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 61 88.747 5.041 5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 61 89.947 4.026 6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 61 90.457 6.286 9.142 1.00 0.00 H new ATOM 0 HH22 ARG A 61 90.908 4.725 8.448 1.00 0.00 H new ATOM 1091 N ARG A 62 84.253 7.360 9.928 1.00 0.00 N ATOM 1092 CA ARG A 62 83.664 7.377 11.260 1.00 0.00 C ATOM 1093 C ARG A 62 84.411 8.357 12.156 1.00 0.00 C ATOM 1094 O ARG A 62 84.004 8.612 13.289 1.00 0.00 O ATOM 1095 CB ARG A 62 83.706 5.976 11.879 1.00 0.00 C ATOM 1096 CG ARG A 62 82.285 5.419 11.997 1.00 0.00 C ATOM 1097 CD ARG A 62 82.317 4.094 12.755 1.00 0.00 C ATOM 1098 NE ARG A 62 81.147 3.295 12.414 1.00 0.00 N ATOM 1099 CZ ARG A 62 79.955 3.568 12.929 1.00 0.00 C ATOM 1100 NH1 ARG A 62 79.812 4.572 13.751 1.00 0.00 N ATOM 1101 NH2 ARG A 62 78.923 2.836 12.610 1.00 0.00 N ATOM 0 H ARG A 62 84.696 6.479 9.668 1.00 0.00 H new ATOM 0 HA ARG A 62 82.625 7.696 11.173 1.00 0.00 H new ATOM 0 HB2 ARG A 62 84.316 5.315 11.264 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.173 6.017 12.863 1.00 0.00 H new ATOM 0 HG2 ARG A 62 81.646 6.132 12.517 1.00 0.00 H new ATOM 0 HG3 ARG A 62 81.857 5.272 11.005 1.00 0.00 H new ATOM 0 HD2 ARG A 62 83.226 3.546 12.507 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.340 4.281 13.829 1.00 0.00 H new ATOM 0 HE ARG A 62 81.246 2.512 11.768 1.00 0.00 H new ATOM 0 HH11 ARG A 62 80.617 5.148 13.998 1.00 0.00 H new ATOM 0 HH12 ARG A 62 78.895 4.781 14.146 1.00 0.00 H new ATOM 0 HH21 ARG A 62 79.033 2.054 11.965 1.00 0.00 H new ATOM 0 HH22 ARG A 62 78.007 3.046 13.006 1.00 0.00 H new ATOM 1115 N ASP A 63 85.508 8.899 11.638 1.00 0.00 N ATOM 1116 CA ASP A 63 86.306 9.849 12.395 1.00 0.00 C ATOM 1117 C ASP A 63 86.006 11.272 11.965 1.00 0.00 C ATOM 1118 O ASP A 63 86.689 12.198 12.389 1.00 0.00 O ATOM 1119 CB ASP A 63 87.789 9.567 12.205 1.00 0.00 C ATOM 1120 CG ASP A 63 88.165 8.271 12.909 1.00 0.00 C ATOM 1121 OD1 ASP A 63 87.353 7.783 13.677 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.260 7.787 12.675 1.00 0.00 O ATOM 0 H ASP A 63 85.861 8.697 10.703 1.00 0.00 H new ATOM 0 HA ASP A 63 86.048 9.736 13.448 1.00 0.00 H new ATOM 0 HB2 ASP A 63 88.021 9.494 11.142 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.379 10.392 12.604 1.00 0.00 H new ATOM 1127 N ASN A 64 84.987 11.439 11.119 1.00 0.00 N ATOM 1128 CA ASN A 64 84.594 12.757 10.629 1.00 0.00 C ATOM 1129 C ASN A 64 85.513 13.204 9.501 1.00 0.00 C ATOM 1130 O ASN A 64 85.275 14.232 8.868 1.00 0.00 O ATOM 1131 CB ASN A 64 84.634 13.780 11.769 1.00 0.00 C ATOM 1132 CG ASN A 64 84.109 13.141 13.052 1.00 0.00 C ATOM 1133 OD1 ASN A 64 83.253 12.257 13.005 1.00 0.00 O ATOM 1134 ND2 ASN A 64 84.563 13.549 14.203 1.00 0.00 N ATOM 0 H ASN A 64 84.418 10.672 10.759 1.00 0.00 H new ATOM 0 HA ASN A 64 83.576 12.691 10.246 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.654 14.133 11.918 1.00 0.00 H new ATOM 0 HB3 ASN A 64 84.030 14.650 11.511 1.00 0.00 H new ATOM 0 HD21 ASN A 64 84.209 13.136 15.066 1.00 0.00 H new ATOM 0 HD22 ASN A 64 85.272 14.281 14.241 1.00 0.00 H new ATOM 1141 N THR A 65 86.557 12.423 9.251 1.00 0.00 N ATOM 1142 CA THR A 65 87.494 12.755 8.187 1.00 0.00 C ATOM 1143 C THR A 65 86.892 12.424 6.828 1.00 0.00 C ATOM 1144 O THR A 65 86.461 11.296 6.588 1.00 0.00 O ATOM 1145 CB THR A 65 88.795 11.966 8.379 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.494 10.591 8.566 1.00 0.00 O ATOM 1147 CG2 THR A 65 89.539 12.498 9.603 1.00 0.00 C ATOM 0 H THR A 65 86.774 11.568 9.763 1.00 0.00 H new ATOM 0 HA THR A 65 87.706 13.823 8.228 1.00 0.00 H new ATOM 0 HB THR A 65 89.422 12.082 7.495 1.00 0.00 H new ATOM 0 HG1 THR A 65 89.326 10.087 8.687 1.00 0.00 H new ATOM 0 HG21 THR A 65 90.464 11.937 9.739 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.773 13.553 9.457 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.912 12.385 10.488 1.00 0.00 H new ATOM 1155 N PHE A 66 86.865 13.413 5.942 1.00 0.00 N ATOM 1156 CA PHE A 66 86.305 13.212 4.610 1.00 0.00 C ATOM 1157 C PHE A 66 87.213 12.321 3.773 1.00 0.00 C ATOM 1158 O PHE A 66 88.414 12.571 3.670 1.00 0.00 O ATOM 1159 CB PHE A 66 86.130 14.562 3.909 1.00 0.00 C ATOM 1160 CG PHE A 66 84.928 15.278 4.480 1.00 0.00 C ATOM 1161 CD1 PHE A 66 85.055 16.048 5.641 1.00 0.00 C ATOM 1162 CD2 PHE A 66 83.687 15.171 3.842 1.00 0.00 C ATOM 1163 CE1 PHE A 66 83.939 16.711 6.165 1.00 0.00 C ATOM 1164 CE2 PHE A 66 82.569 15.834 4.366 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.697 16.604 5.528 1.00 0.00 C ATOM 0 H PHE A 66 87.220 14.353 6.118 1.00 0.00 H new ATOM 0 HA PHE A 66 85.335 12.726 4.716 1.00 0.00 H new ATOM 0 HB2 PHE A 66 87.025 15.170 4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 66 86.001 14.412 2.837 1.00 0.00 H new ATOM 0 HD1 PHE A 66 86.013 16.131 6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 66 83.591 14.577 2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 66 84.036 17.306 7.061 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.611 15.751 3.874 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.837 17.116 5.933 1.00 0.00 H new ATOM 1175 N PHE A 67 86.630 11.285 3.175 1.00 0.00 N ATOM 1176 CA PHE A 67 87.391 10.360 2.345 1.00 0.00 C ATOM 1177 C PHE A 67 86.810 10.311 0.937 1.00 0.00 C ATOM 1178 O PHE A 67 85.694 9.833 0.729 1.00 0.00 O ATOM 1179 CB PHE A 67 87.355 8.957 2.956 1.00 0.00 C ATOM 1180 CG PHE A 67 88.352 8.072 2.250 1.00 0.00 C ATOM 1181 CD1 PHE A 67 88.001 7.446 1.050 1.00 0.00 C ATOM 1182 CD2 PHE A 67 89.628 7.884 2.794 1.00 0.00 C ATOM 1183 CE1 PHE A 67 88.927 6.629 0.392 1.00 0.00 C ATOM 1184 CE2 PHE A 67 90.555 7.067 2.136 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.204 6.438 0.934 1.00 0.00 C ATOM 0 H PHE A 67 85.636 11.067 3.250 1.00 0.00 H new ATOM 0 HA PHE A 67 88.422 10.709 2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.587 9.007 4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.353 8.536 2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 67 87.016 7.593 0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 67 89.897 8.369 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 67 88.657 6.145 -0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 67 91.540 6.922 2.554 1.00 0.00 H new ATOM 0 HZ PHE A 67 90.918 5.806 0.426 1.00 0.00 H new ATOM 1195 N TYR A 68 87.577 10.804 -0.025 1.00 0.00 N ATOM 1196 CA TYR A 68 87.137 10.807 -1.413 1.00 0.00 C ATOM 1197 C TYR A 68 87.403 9.452 -2.060 1.00 0.00 C ATOM 1198 O TYR A 68 88.429 8.823 -1.803 1.00 0.00 O ATOM 1199 CB TYR A 68 87.862 11.902 -2.197 1.00 0.00 C ATOM 1200 CG TYR A 68 87.317 13.253 -1.800 1.00 0.00 C ATOM 1201 CD1 TYR A 68 86.068 13.668 -2.276 1.00 0.00 C ATOM 1202 CD2 TYR A 68 88.058 14.090 -0.958 1.00 0.00 C ATOM 1203 CE1 TYR A 68 85.559 14.920 -1.911 1.00 0.00 C ATOM 1204 CE2 TYR A 68 87.550 15.343 -0.593 1.00 0.00 C ATOM 1205 CZ TYR A 68 86.300 15.757 -1.069 1.00 0.00 C ATOM 1206 OH TYR A 68 85.798 16.992 -0.710 1.00 0.00 O ATOM 0 H TYR A 68 88.502 11.205 0.129 1.00 0.00 H new ATOM 0 HA TYR A 68 86.065 11.004 -1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 68 88.933 11.858 -1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.730 11.745 -3.268 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.496 13.022 -2.926 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.021 13.770 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 68 84.595 15.240 -2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.122 15.990 0.055 1.00 0.00 H new ATOM 0 HH TYR A 68 86.436 17.446 -0.121 1.00 0.00 H new ATOM 1216 N TYR A 69 86.472 9.016 -2.904 1.00 0.00 N ATOM 1217 CA TYR A 69 86.603 7.739 -3.599 1.00 0.00 C ATOM 1218 C TYR A 69 86.747 7.939 -5.102 1.00 0.00 C ATOM 1219 O TYR A 69 86.242 8.913 -5.662 1.00 0.00 O ATOM 1220 CB TYR A 69 85.387 6.858 -3.323 1.00 0.00 C ATOM 1221 CG TYR A 69 85.546 6.171 -1.988 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.392 5.060 -1.883 1.00 0.00 C ATOM 1223 CD2 TYR A 69 84.847 6.624 -0.866 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.544 4.407 -0.655 1.00 0.00 C ATOM 1225 CE2 TYR A 69 85.001 5.963 0.360 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.848 4.861 0.464 1.00 0.00 C ATOM 1227 OH TYR A 69 85.992 4.223 1.677 1.00 0.00 O ATOM 0 H TYR A 69 85.618 9.529 -3.123 1.00 0.00 H new ATOM 0 HA TYR A 69 87.503 7.251 -3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.480 7.463 -3.325 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.277 6.116 -4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.928 4.707 -2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.192 7.479 -0.943 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.200 3.553 -0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.461 6.309 1.229 1.00 0.00 H new ATOM 0 HH TYR A 69 85.160 3.757 1.902 1.00 0.00 H new ATOM 1237 N ASN A 70 87.439 7.008 -5.749 1.00 0.00 N ATOM 1238 CA ASN A 70 87.638 7.083 -7.191 1.00 0.00 C ATOM 1239 C ASN A 70 86.638 6.179 -7.910 1.00 0.00 C ATOM 1240 O ASN A 70 86.548 4.984 -7.625 1.00 0.00 O ATOM 1241 CB ASN A 70 89.072 6.674 -7.544 1.00 0.00 C ATOM 1242 CG ASN A 70 89.138 5.179 -7.818 1.00 0.00 C ATOM 1243 OD1 ASN A 70 89.317 4.765 -8.960 1.00 0.00 O ATOM 1244 ND2 ASN A 70 88.990 4.337 -6.833 1.00 0.00 N ATOM 0 H ASN A 70 87.869 6.198 -5.302 1.00 0.00 H new ATOM 0 HA ASN A 70 87.475 8.110 -7.516 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.411 7.227 -8.420 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.744 6.931 -6.725 1.00 0.00 H new ATOM 0 HD21 ASN A 70 89.023 3.333 -7.011 1.00 0.00 H new ATOM 0 HD22 ASN A 70 88.841 4.682 -5.885 1.00 0.00 H new ATOM 1251 N LYS A 71 85.890 6.752 -8.842 1.00 0.00 N ATOM 1252 CA LYS A 71 84.906 5.976 -9.588 1.00 0.00 C ATOM 1253 C LYS A 71 85.578 4.790 -10.282 1.00 0.00 C ATOM 1254 O LYS A 71 84.920 3.848 -10.707 1.00 0.00 O ATOM 1255 CB LYS A 71 84.221 6.867 -10.627 1.00 0.00 C ATOM 1256 CG LYS A 71 85.236 7.327 -11.687 1.00 0.00 C ATOM 1257 CD LYS A 71 84.519 7.535 -13.014 1.00 0.00 C ATOM 1258 CE LYS A 71 85.538 7.979 -14.061 1.00 0.00 C ATOM 1259 NZ LYS A 71 84.929 7.893 -15.414 1.00 0.00 N ATOM 0 H LYS A 71 85.943 7.738 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 71 84.159 5.596 -8.892 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.408 6.321 -11.105 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.778 7.734 -10.137 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.715 8.253 -11.370 1.00 0.00 H new ATOM 0 HG3 LYS A 71 86.024 6.583 -11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.033 6.612 -13.329 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.737 8.287 -12.906 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.860 9.001 -13.860 1.00 0.00 H new ATOM 0 HE3 LYS A 71 86.426 7.349 -14.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 85.679 7.775 -16.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 84.283 7.079 -15.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 84.399 8.765 -15.612 1.00 0.00 H new ATOM 1273 N GLU A 72 86.893 4.857 -10.416 1.00 0.00 N ATOM 1274 CA GLU A 72 87.629 3.790 -11.069 1.00 0.00 C ATOM 1275 C GLU A 72 87.780 2.621 -10.105 1.00 0.00 C ATOM 1276 O GLU A 72 87.979 2.820 -8.899 1.00 0.00 O ATOM 1277 CB GLU A 72 89.007 4.289 -11.512 1.00 0.00 C ATOM 1278 CG GLU A 72 89.123 4.186 -13.032 1.00 0.00 C ATOM 1279 CD GLU A 72 90.516 4.616 -13.476 1.00 0.00 C ATOM 1280 OE1 GLU A 72 91.106 5.441 -12.799 1.00 0.00 O ATOM 1281 OE2 GLU A 72 90.974 4.115 -14.490 1.00 0.00 O ATOM 0 H GLU A 72 87.467 5.632 -10.084 1.00 0.00 H new ATOM 0 HA GLU A 72 87.081 3.463 -11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.150 5.322 -11.195 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.790 3.698 -11.036 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.930 3.162 -13.352 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.370 4.815 -13.506 1.00 0.00 H new ATOM 1288 N ARG A 73 87.701 1.401 -10.634 1.00 0.00 N ATOM 1289 CA ARG A 73 87.847 0.216 -9.821 1.00 0.00 C ATOM 1290 C ARG A 73 89.064 -0.610 -10.191 1.00 0.00 C ATOM 1291 O ARG A 73 89.151 -1.154 -11.292 1.00 0.00 O ATOM 1292 CB ARG A 73 86.593 -0.641 -9.972 1.00 0.00 C ATOM 1293 CG ARG A 73 86.591 -1.716 -8.916 1.00 0.00 C ATOM 1294 CD ARG A 73 86.369 -1.113 -7.546 1.00 0.00 C ATOM 1295 NE ARG A 73 86.456 0.337 -7.577 1.00 0.00 N ATOM 1296 CZ ARG A 73 86.971 1.030 -6.565 1.00 0.00 C ATOM 1297 NH1 ARG A 73 87.349 0.427 -5.478 1.00 0.00 N ATOM 1298 NH2 ARG A 73 87.119 2.319 -6.684 1.00 0.00 N ATOM 0 H ARG A 73 87.536 1.217 -11.624 1.00 0.00 H new ATOM 0 HA ARG A 73 87.984 0.541 -8.790 1.00 0.00 H new ATOM 0 HB2 ARG A 73 85.702 -0.021 -9.877 1.00 0.00 H new ATOM 0 HB3 ARG A 73 86.564 -1.091 -10.964 1.00 0.00 H new ATOM 0 HG2 ARG A 73 85.808 -2.443 -9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 73 87.539 -2.253 -8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 73 85.390 -1.411 -7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 73 87.110 -1.507 -6.850 1.00 0.00 H new ATOM 0 HE ARG A 73 86.113 0.837 -8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 73 87.252 -0.585 -5.396 1.00 0.00 H new ATOM 0 HH12 ARG A 73 87.743 0.966 -4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 73 86.841 2.787 -7.547 1.00 0.00 H new ATOM 0 HH22 ARG A 73 87.513 2.860 -5.914 1.00 0.00 H new ATOM 1312 N GLU A 74 89.992 -0.726 -9.236 1.00 0.00 N ATOM 1313 CA GLU A 74 91.194 -1.516 -9.435 1.00 0.00 C ATOM 1314 C GLU A 74 91.163 -2.734 -8.516 1.00 0.00 C ATOM 1315 O GLU A 74 92.202 -3.200 -8.055 1.00 0.00 O ATOM 1316 CB GLU A 74 92.437 -0.683 -9.119 1.00 0.00 C ATOM 1317 CG GLU A 74 92.545 0.474 -10.112 1.00 0.00 C ATOM 1318 CD GLU A 74 93.749 1.344 -9.769 1.00 0.00 C ATOM 1319 OE1 GLU A 74 94.266 1.202 -8.673 1.00 0.00 O ATOM 1320 OE2 GLU A 74 94.143 2.133 -10.611 1.00 0.00 O ATOM 0 H GLU A 74 89.927 -0.280 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 74 91.233 -1.836 -10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 74 92.380 -0.298 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 74 93.329 -1.307 -9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 74 92.643 0.086 -11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 74 91.634 1.072 -10.086 1.00 0.00 H new ATOM 1327 N CYS A 75 89.962 -3.239 -8.257 1.00 0.00 N ATOM 1328 CA CYS A 75 89.784 -4.408 -7.399 1.00 0.00 C ATOM 1329 C CYS A 75 89.880 -5.704 -8.201 1.00 0.00 C ATOM 1330 O CYS A 75 89.404 -5.781 -9.334 1.00 0.00 O ATOM 1331 CB CYS A 75 88.423 -4.346 -6.703 1.00 0.00 C ATOM 1332 SG CYS A 75 87.965 -5.999 -6.133 1.00 0.00 S ATOM 0 H CYS A 75 89.093 -2.856 -8.630 1.00 0.00 H new ATOM 0 HA CYS A 75 90.581 -4.399 -6.656 1.00 0.00 H new ATOM 0 HB2 CYS A 75 88.465 -3.657 -5.859 1.00 0.00 H new ATOM 0 HB3 CYS A 75 87.668 -3.964 -7.390 1.00 0.00 H new ATOM 0 HG CYS A 75 86.922 -5.918 -5.361 1.00 0.00 H new ATOM 1338 N GLU A 76 90.503 -6.710 -7.600 1.00 0.00 N ATOM 1339 CA GLU A 76 90.668 -8.008 -8.250 1.00 0.00 C ATOM 1340 C GLU A 76 90.204 -9.126 -7.327 1.00 0.00 C ATOM 1341 O GLU A 76 89.840 -8.882 -6.179 1.00 0.00 O ATOM 1342 CB GLU A 76 92.129 -8.229 -8.639 1.00 0.00 C ATOM 1343 CG GLU A 76 92.492 -7.314 -9.804 1.00 0.00 C ATOM 1344 CD GLU A 76 93.999 -7.347 -10.036 1.00 0.00 C ATOM 1345 OE1 GLU A 76 94.705 -7.790 -9.147 1.00 0.00 O ATOM 1346 OE2 GLU A 76 94.423 -6.927 -11.100 1.00 0.00 O ATOM 0 H GLU A 76 90.903 -6.654 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 76 90.058 -8.019 -9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 76 92.778 -8.025 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 76 92.288 -9.271 -8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 76 91.969 -7.633 -10.706 1.00 0.00 H new ATOM 0 HG3 GLU A 76 92.170 -6.295 -9.592 1.00 0.00 H new ATOM 1353 N ASP A 77 90.195 -10.350 -7.844 1.00 0.00 N ATOM 1354 CA ASP A 77 89.751 -11.497 -7.061 1.00 0.00 C ATOM 1355 C ASP A 77 90.415 -11.489 -5.686 1.00 0.00 C ATOM 1356 O ASP A 77 89.886 -12.055 -4.723 1.00 0.00 O ATOM 1357 CB ASP A 77 90.124 -12.792 -7.795 1.00 0.00 C ATOM 1358 CG ASP A 77 89.190 -13.018 -8.980 1.00 0.00 C ATOM 1359 OD1 ASP A 77 88.198 -12.317 -9.072 1.00 0.00 O ATOM 1360 OD2 ASP A 77 89.485 -13.893 -9.780 1.00 0.00 O ATOM 0 H ASP A 77 90.488 -10.572 -8.795 1.00 0.00 H new ATOM 0 HA ASP A 77 88.670 -11.440 -6.935 1.00 0.00 H new ATOM 0 HB2 ASP A 77 91.156 -12.737 -8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 77 90.063 -13.637 -7.109 1.00 0.00 H new ATOM 1365 N LYS A 78 91.568 -10.833 -5.597 1.00 0.00 N ATOM 1366 CA LYS A 78 92.287 -10.752 -4.331 1.00 0.00 C ATOM 1367 C LYS A 78 91.511 -9.900 -3.329 1.00 0.00 C ATOM 1368 O LYS A 78 91.561 -10.137 -2.126 1.00 0.00 O ATOM 1369 CB LYS A 78 93.670 -10.127 -4.559 1.00 0.00 C ATOM 1370 CG LYS A 78 93.522 -8.625 -4.827 1.00 0.00 C ATOM 1371 CD LYS A 78 94.854 -8.059 -5.321 1.00 0.00 C ATOM 1372 CE LYS A 78 94.685 -6.575 -5.654 1.00 0.00 C ATOM 1373 NZ LYS A 78 95.963 -6.041 -6.201 1.00 0.00 N ATOM 0 H LYS A 78 92.020 -10.355 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 78 92.398 -11.760 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 78 94.301 -10.290 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 78 94.163 -10.610 -5.403 1.00 0.00 H new ATOM 0 HG2 LYS A 78 92.744 -8.453 -5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 78 93.212 -8.112 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 78 95.621 -8.186 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 78 95.189 -8.605 -6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 78 93.883 -6.443 -6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 78 94.400 -6.021 -4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 95.849 -5.032 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 96.717 -6.154 -5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 96.216 -6.563 -7.064 1.00 0.00 H new ATOM 1387 N GLU A 79 90.768 -8.919 -3.831 1.00 0.00 N ATOM 1388 CA GLU A 79 89.986 -8.046 -2.965 1.00 0.00 C ATOM 1389 C GLU A 79 88.650 -8.686 -2.615 1.00 0.00 C ATOM 1390 O GLU A 79 88.144 -8.514 -1.509 1.00 0.00 O ATOM 1391 CB GLU A 79 89.752 -6.702 -3.656 1.00 0.00 C ATOM 1392 CG GLU A 79 90.578 -5.615 -2.966 1.00 0.00 C ATOM 1393 CD GLU A 79 90.010 -5.337 -1.579 1.00 0.00 C ATOM 1394 OE1 GLU A 79 88.931 -4.772 -1.506 1.00 0.00 O ATOM 1395 OE2 GLU A 79 90.659 -5.696 -0.610 1.00 0.00 O ATOM 0 H GLU A 79 90.691 -8.710 -4.826 1.00 0.00 H new ATOM 0 HA GLU A 79 90.544 -7.887 -2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.030 -6.770 -4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.693 -6.444 -3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 79 91.618 -5.931 -2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 79 90.567 -4.703 -3.563 1.00 0.00 H new ATOM 1402 N VAL A 80 88.083 -9.425 -3.559 1.00 0.00 N ATOM 1403 CA VAL A 80 86.809 -10.080 -3.327 1.00 0.00 C ATOM 1404 C VAL A 80 86.907 -10.995 -2.113 1.00 0.00 C ATOM 1405 O VAL A 80 86.010 -11.019 -1.263 1.00 0.00 O ATOM 1406 CB VAL A 80 86.430 -10.906 -4.552 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.217 -11.777 -4.230 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.082 -9.964 -5.711 1.00 0.00 C ATOM 0 H VAL A 80 88.483 -9.583 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 80 86.047 -9.322 -3.145 1.00 0.00 H new ATOM 0 HB VAL A 80 87.269 -11.542 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 80 84.949 -12.366 -5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.458 -12.446 -3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.377 -11.142 -3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 80 85.811 -10.551 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.243 -9.330 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 80 86.945 -9.340 -5.945 1.00 0.00 H new ATOM 1418 N HIS A 81 87.995 -11.745 -2.041 1.00 0.00 N ATOM 1419 CA HIS A 81 88.201 -12.662 -0.920 1.00 0.00 C ATOM 1420 C HIS A 81 88.501 -11.895 0.365 1.00 0.00 C ATOM 1421 O HIS A 81 88.008 -12.246 1.436 1.00 0.00 O ATOM 1422 CB HIS A 81 89.359 -13.612 -1.222 1.00 0.00 C ATOM 1423 CG HIS A 81 88.967 -14.540 -2.335 1.00 0.00 C ATOM 1424 ND1 HIS A 81 89.021 -14.160 -3.667 1.00 0.00 N ATOM 1425 CD2 HIS A 81 88.512 -15.836 -2.335 1.00 0.00 C ATOM 1426 CE1 HIS A 81 88.611 -15.204 -4.406 1.00 0.00 C ATOM 1427 NE2 HIS A 81 88.288 -16.254 -3.644 1.00 0.00 N ATOM 0 H HIS A 81 88.744 -11.741 -2.734 1.00 0.00 H new ATOM 0 HA HIS A 81 87.284 -13.234 -0.782 1.00 0.00 H new ATOM 0 HB2 HIS A 81 90.246 -13.044 -1.503 1.00 0.00 H new ATOM 0 HB3 HIS A 81 89.616 -14.184 -0.331 1.00 0.00 H new ATOM 0 HD1 HIS A 81 89.319 -13.251 -4.022 1.00 0.00 H new ATOM 0 HD2 HIS A 81 88.352 -16.439 -1.453 1.00 0.00 H new ATOM 0 HE1 HIS A 81 88.550 -15.196 -5.484 1.00 0.00 H new ATOM 1435 N LYS A 82 89.311 -10.842 0.253 1.00 0.00 N ATOM 1436 CA LYS A 82 89.659 -10.032 1.417 1.00 0.00 C ATOM 1437 C LYS A 82 88.464 -9.201 1.875 1.00 0.00 C ATOM 1438 O LYS A 82 88.343 -8.865 3.052 1.00 0.00 O ATOM 1439 CB LYS A 82 90.823 -9.111 1.069 1.00 0.00 C ATOM 1440 CG LYS A 82 92.085 -9.947 0.842 1.00 0.00 C ATOM 1441 CD LYS A 82 93.114 -9.627 1.925 1.00 0.00 C ATOM 1442 CE LYS A 82 93.582 -8.176 1.777 1.00 0.00 C ATOM 1443 NZ LYS A 82 93.134 -7.391 2.961 1.00 0.00 N ATOM 0 H LYS A 82 89.734 -10.533 -0.623 1.00 0.00 H new ATOM 0 HA LYS A 82 89.948 -10.698 2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.590 -8.535 0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 82 90.988 -8.395 1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.839 -11.009 0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.501 -9.735 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.678 -9.780 2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.964 -10.304 1.844 1.00 0.00 H new ATOM 0 HE2 LYS A 82 94.668 -8.139 1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 82 93.175 -7.742 0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 92.911 -6.418 2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.286 -7.833 3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.892 -7.373 3.673 1.00 0.00 H new ATOM 1457 N VAL A 83 87.582 -8.874 0.936 1.00 0.00 N ATOM 1458 CA VAL A 83 86.398 -8.081 1.248 1.00 0.00 C ATOM 1459 C VAL A 83 85.328 -8.958 1.886 1.00 0.00 C ATOM 1460 O VAL A 83 85.058 -10.060 1.415 1.00 0.00 O ATOM 1461 CB VAL A 83 85.846 -7.435 -0.021 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.529 -6.727 0.302 1.00 0.00 C ATOM 1463 CG2 VAL A 83 86.856 -6.412 -0.549 1.00 0.00 C ATOM 0 H VAL A 83 87.664 -9.145 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 83 86.681 -7.298 1.952 1.00 0.00 H new ATOM 0 HB VAL A 83 85.673 -8.202 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.133 -6.265 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.810 -7.452 0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.704 -5.959 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.465 -5.949 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 83 87.026 -5.645 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.797 -6.913 -0.775 1.00 0.00 H new ATOM 1473 N LYS A 84 84.722 -8.458 2.961 1.00 0.00 N ATOM 1474 CA LYS A 84 83.682 -9.209 3.655 1.00 0.00 C ATOM 1475 C LYS A 84 82.313 -8.598 3.390 1.00 0.00 C ATOM 1476 O LYS A 84 82.179 -7.377 3.303 1.00 0.00 O ATOM 1477 CB LYS A 84 83.966 -9.209 5.160 1.00 0.00 C ATOM 1478 CG LYS A 84 83.339 -7.967 5.810 1.00 0.00 C ATOM 1479 CD LYS A 84 83.955 -7.737 7.190 1.00 0.00 C ATOM 1480 CE LYS A 84 84.887 -6.524 7.132 1.00 0.00 C ATOM 1481 NZ LYS A 84 85.817 -6.667 5.975 1.00 0.00 N ATOM 0 H LYS A 84 84.931 -7.546 3.366 1.00 0.00 H new ATOM 0 HA LYS A 84 83.683 -10.234 3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.561 -10.112 5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 84 85.042 -9.218 5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 84 83.502 -7.094 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 84 82.261 -8.098 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 84 83.170 -7.572 7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 84 84.509 -8.621 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 84 84.304 -5.608 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 84 85.453 -6.442 8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 86.612 -6.005 6.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 86.180 -7.641 5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 85.309 -6.455 5.093 1.00 0.00 H new ATOM 1495 N VAL A 85 81.298 -9.451 3.265 1.00 0.00 N ATOM 1496 CA VAL A 85 79.947 -8.971 3.014 1.00 0.00 C ATOM 1497 C VAL A 85 79.045 -9.303 4.198 1.00 0.00 C ATOM 1498 O VAL A 85 78.805 -10.472 4.501 1.00 0.00 O ATOM 1499 CB VAL A 85 79.393 -9.625 1.746 1.00 0.00 C ATOM 1500 CG1 VAL A 85 78.082 -8.943 1.341 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.412 -9.493 0.613 1.00 0.00 C ATOM 0 H VAL A 85 81.386 -10.465 3.333 1.00 0.00 H new ATOM 0 HA VAL A 85 79.975 -7.890 2.880 1.00 0.00 H new ATOM 0 HB VAL A 85 79.203 -10.681 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.692 -9.412 0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.355 -9.045 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.266 -7.886 1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 85 80.016 -9.959 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.607 -8.438 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.340 -9.987 0.899 1.00 0.00 H new ATOM 1511 N TYR A 86 78.553 -8.266 4.868 1.00 0.00 N ATOM 1512 CA TYR A 86 77.684 -8.455 6.023 1.00 0.00 C ATOM 1513 C TYR A 86 76.232 -8.637 5.589 1.00 0.00 C ATOM 1514 O TYR A 86 75.812 -8.110 4.558 1.00 0.00 O ATOM 1515 CB TYR A 86 77.798 -7.251 6.962 1.00 0.00 C ATOM 1516 CG TYR A 86 76.734 -6.237 6.618 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.598 -5.786 5.304 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.873 -5.763 7.610 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.601 -4.859 4.982 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.876 -4.839 7.291 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.739 -4.385 5.977 1.00 0.00 C ATOM 1522 OH TYR A 86 73.751 -3.480 5.662 1.00 0.00 O ATOM 0 H TYR A 86 78.740 -7.291 4.633 1.00 0.00 H new ATOM 0 HA TYR A 86 78.002 -9.356 6.547 1.00 0.00 H new ATOM 0 HB2 TYR A 86 77.686 -7.573 7.997 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.786 -6.800 6.873 1.00 0.00 H new ATOM 0 HD1 TYR A 86 77.263 -6.153 4.536 1.00 0.00 H new ATOM 0 HD2 TYR A 86 75.979 -6.112 8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 86 75.497 -4.509 3.966 1.00 0.00 H new ATOM 0 HE2 TYR A 86 74.211 -4.475 8.060 1.00 0.00 H new ATOM 0 HH TYR A 86 73.403 -3.076 6.484 1.00 0.00 H new ATOM 1532 N VAL A 87 75.471 -9.389 6.381 1.00 0.00 N ATOM 1533 CA VAL A 87 74.067 -9.622 6.068 1.00 0.00 C ATOM 1534 C VAL A 87 73.195 -9.318 7.286 1.00 0.00 C ATOM 1535 O VAL A 87 73.385 -9.892 8.363 1.00 0.00 O ATOM 1536 CB VAL A 87 73.854 -11.074 5.632 1.00 0.00 C ATOM 1537 CG1 VAL A 87 73.870 -11.990 6.855 1.00 0.00 C ATOM 1538 CG2 VAL A 87 72.508 -11.200 4.919 1.00 0.00 C ATOM 0 H VAL A 87 75.800 -9.842 7.234 1.00 0.00 H new ATOM 0 HA VAL A 87 73.782 -8.959 5.251 1.00 0.00 H new ATOM 0 HB VAL A 87 74.656 -11.366 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 87 73.718 -13.022 6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 87 74.831 -11.904 7.362 1.00 0.00 H new ATOM 0 HG13 VAL A 87 73.072 -11.699 7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 87 72.356 -12.234 4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 87 71.708 -10.904 5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 87 72.499 -10.553 4.042 1.00 0.00 H new ATOM 1548 N TYR A 88 72.240 -8.412 7.107 1.00 0.00 N ATOM 1549 CA TYR A 88 71.343 -8.039 8.194 1.00 0.00 C ATOM 1550 C TYR A 88 70.824 -9.284 8.905 1.00 0.00 C ATOM 1551 O TYR A 88 70.541 -9.193 10.086 1.00 0.00 O ATOM 1552 CB TYR A 88 70.167 -7.233 7.643 1.00 0.00 C ATOM 1553 CG TYR A 88 69.274 -8.136 6.825 1.00 0.00 C ATOM 1554 CD1 TYR A 88 69.629 -8.465 5.513 1.00 0.00 C ATOM 1555 CD2 TYR A 88 68.096 -8.649 7.382 1.00 0.00 C ATOM 1556 CE1 TYR A 88 68.805 -9.306 4.754 1.00 0.00 C ATOM 1557 CE2 TYR A 88 67.271 -9.488 6.622 1.00 0.00 C ATOM 1558 CZ TYR A 88 67.626 -9.816 5.309 1.00 0.00 C ATOM 1559 OH TYR A 88 66.811 -10.641 4.560 1.00 0.00 O ATOM 1560 OXT TYR A 88 70.720 -10.312 8.253 1.00 0.00 O ATOM 0 H TYR A 88 72.068 -7.926 6.227 1.00 0.00 H new ATOM 0 HA TYR A 88 71.896 -7.430 8.909 1.00 0.00 H new ATOM 0 HB2 TYR A 88 69.601 -6.790 8.462 1.00 0.00 H new ATOM 0 HB3 TYR A 88 70.533 -6.411 7.027 1.00 0.00 H new ATOM 0 HD1 TYR A 88 70.539 -8.071 5.085 1.00 0.00 H new ATOM 0 HD2 TYR A 88 67.824 -8.398 8.397 1.00 0.00 H new ATOM 0 HE1 TYR A 88 69.080 -9.561 3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 88 66.361 -9.882 7.050 1.00 0.00 H new ATOM 0 HH TYR A 88 66.035 -10.907 5.095 1.00 0.00 H new TER 1570 TYR A 88