USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 760 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 17 MET CE :methyl -165:sc= -2.63 (180deg=-2.71) USER MOD Set 1.2: A 77 MET CE :methyl -146:sc= -3.19! (180deg=-3.99!) USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.102 (180deg=-0.653) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.0128 (180deg=-0.101) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0801 USER MOD Single : A 12 LYS NZ :NH3+ -134:sc= -0.0235 (180deg=-0.172) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 0.758 (180deg=0.714) USER MOD Single : A 14 GLN : amide:sc= -0.0925 X(o=-0.093,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.093) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 145:sc= -0.0202 (180deg=-1.27) USER MOD Single : A 29 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.076) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= 0.0121 (180deg=-0.0059) USER MOD Single : A 38 SER OG : rot 20:sc= 0.0835! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0278 X(o=-0.028,f=-0.21) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00232 USER MOD Single : A 70 GLN : amide:sc= -8.59! C(o=-8.6!,f=-12!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -111:sc= 1.05 USER MOD Single : A 81 SER OG : rot 180:sc= 0.126 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -138:sc= -0.0448 (180deg=-0.368) USER MOD Single : A 91 GLN : amide:sc= -0.836 X(o=-0.84,f=-0.51) USER MOD Single : B 101 SER OG : rot -61:sc= -1.14 USER MOD Single : B 102 THR OG1 : rot -48:sc= 0.243 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.443 7.090 -21.522 1.00 0.00 N ATOM 2 CA MET A 1 -12.171 6.160 -20.614 1.00 0.00 C ATOM 3 C MET A 1 -11.237 5.114 -20.001 1.00 0.00 C ATOM 4 O MET A 1 -11.463 4.663 -18.878 1.00 0.00 O ATOM 5 CB MET A 1 -13.294 5.471 -21.399 1.00 0.00 C ATOM 6 CG MET A 1 -14.680 5.725 -20.823 1.00 0.00 C ATOM 7 SD MET A 1 -16.001 5.228 -21.944 1.00 0.00 S ATOM 8 CE MET A 1 -15.814 6.446 -23.243 1.00 0.00 C ATOM 0 H1 MET A 1 -12.083 7.853 -21.823 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.629 7.499 -21.020 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.108 6.569 -22.357 1.00 0.00 H new ATOM 0 HA MET A 1 -12.589 6.740 -19.792 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.269 5.817 -22.432 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.108 4.397 -21.418 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.783 5.183 -19.883 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.784 6.785 -20.592 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.755 6.549 -23.783 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.540 7.406 -22.805 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.033 6.125 -23.933 1.00 0.00 H new ATOM 20 N LYS A 2 -10.191 4.727 -20.738 1.00 0.00 N ATOM 21 CA LYS A 2 -9.236 3.734 -20.249 1.00 0.00 C ATOM 22 C LYS A 2 -8.362 4.325 -19.140 1.00 0.00 C ATOM 23 O LYS A 2 -7.223 4.727 -19.379 1.00 0.00 O ATOM 24 CB LYS A 2 -8.362 3.219 -21.399 1.00 0.00 C ATOM 25 CG LYS A 2 -7.991 1.749 -21.272 1.00 0.00 C ATOM 26 CD LYS A 2 -8.823 0.875 -22.199 1.00 0.00 C ATOM 27 CE LYS A 2 -9.209 -0.432 -21.526 1.00 0.00 C ATOM 28 NZ LYS A 2 -10.355 -1.097 -22.206 1.00 0.00 N ATOM 0 H LYS A 2 -9.987 5.086 -21.671 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.796 2.896 -19.835 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.889 3.372 -22.341 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.449 3.813 -21.444 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.933 1.620 -21.502 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.135 1.425 -20.241 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.723 1.412 -22.498 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.259 0.666 -23.108 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.351 -1.104 -21.522 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.468 -0.240 -20.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.584 -1.984 -21.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.183 -0.467 -22.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.100 -1.305 -23.193 1.00 0.00 H new ATOM 42 N GLU A 3 -8.912 4.381 -17.929 1.00 0.00 N ATOM 43 CA GLU A 3 -8.196 4.929 -16.781 1.00 0.00 C ATOM 44 C GLU A 3 -8.373 4.033 -15.556 1.00 0.00 C ATOM 45 O GLU A 3 -9.430 3.424 -15.376 1.00 0.00 O ATOM 46 CB GLU A 3 -8.707 6.338 -16.467 1.00 0.00 C ATOM 47 CG GLU A 3 -8.530 7.328 -17.610 1.00 0.00 C ATOM 48 CD GLU A 3 -7.321 8.230 -17.432 1.00 0.00 C ATOM 49 OE1 GLU A 3 -6.293 7.756 -16.901 1.00 0.00 O ATOM 50 OE2 GLU A 3 -7.403 9.412 -17.827 1.00 0.00 O ATOM 0 H GLU A 3 -9.854 4.052 -17.718 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.136 4.976 -17.029 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.765 6.281 -16.209 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.185 6.716 -15.588 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.432 6.779 -18.547 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.426 7.943 -17.693 1.00 0.00 H new ATOM 57 N PRO A 4 -7.337 3.940 -14.695 1.00 0.00 N ATOM 58 CA PRO A 4 -7.379 3.111 -13.477 1.00 0.00 C ATOM 59 C PRO A 4 -8.511 3.509 -12.523 1.00 0.00 C ATOM 60 O PRO A 4 -9.294 4.415 -12.815 1.00 0.00 O ATOM 61 CB PRO A 4 -6.011 3.361 -12.823 1.00 0.00 C ATOM 62 CG PRO A 4 -5.141 3.846 -13.930 1.00 0.00 C ATOM 63 CD PRO A 4 -6.041 4.627 -14.842 1.00 0.00 C ATOM 0 HA PRO A 4 -7.571 2.064 -13.713 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -6.084 4.100 -12.025 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.613 2.449 -12.378 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.333 4.471 -13.548 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.677 3.012 -14.457 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.104 5.675 -14.547 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.688 4.606 -15.873 1.00 0.00 H new ATOM 71 N GLU A 5 -8.588 2.824 -11.381 1.00 0.00 N ATOM 72 CA GLU A 5 -9.620 3.098 -10.387 1.00 0.00 C ATOM 73 C GLU A 5 -9.008 3.285 -9.005 1.00 0.00 C ATOM 74 O GLU A 5 -8.731 2.316 -8.295 1.00 0.00 O ATOM 75 CB GLU A 5 -10.645 1.965 -10.352 1.00 0.00 C ATOM 76 CG GLU A 5 -11.955 2.347 -9.679 1.00 0.00 C ATOM 77 CD GLU A 5 -12.711 1.142 -9.150 1.00 0.00 C ATOM 78 OE1 GLU A 5 -12.334 0.628 -8.075 1.00 0.00 O ATOM 79 OE2 GLU A 5 -13.679 0.712 -9.813 1.00 0.00 O ATOM 0 H GLU A 5 -7.946 2.075 -11.124 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.123 4.022 -10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.851 1.642 -11.372 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.213 1.112 -9.829 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.751 3.033 -8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.583 2.882 -10.392 1.00 0.00 H new ATOM 86 N ILE A 6 -8.805 4.541 -8.636 1.00 0.00 N ATOM 87 CA ILE A 6 -8.231 4.886 -7.340 1.00 0.00 C ATOM 88 C ILE A 6 -9.327 5.028 -6.287 1.00 0.00 C ATOM 89 O ILE A 6 -10.280 5.787 -6.472 1.00 0.00 O ATOM 90 CB ILE A 6 -7.429 6.200 -7.422 1.00 0.00 C ATOM 91 CG1 ILE A 6 -6.410 6.131 -8.561 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.735 6.496 -6.097 1.00 0.00 C ATOM 93 CD1 ILE A 6 -6.857 6.861 -9.808 1.00 0.00 C ATOM 0 H ILE A 6 -9.031 5.346 -9.220 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.557 4.078 -7.053 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.124 7.014 -7.628 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.465 6.554 -8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.221 5.086 -8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.176 7.428 -6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.481 6.590 -5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.051 5.682 -5.855 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.089 6.773 -10.576 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.786 6.423 -10.172 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.018 7.914 -9.575 1.00 0.00 H new ATOM 105 N ILE A 7 -9.183 4.294 -5.185 1.00 0.00 N ATOM 106 CA ILE A 7 -10.162 4.336 -4.102 1.00 0.00 C ATOM 107 C ILE A 7 -9.481 4.268 -2.737 1.00 0.00 C ATOM 108 O ILE A 7 -8.487 3.560 -2.560 1.00 0.00 O ATOM 109 CB ILE A 7 -11.185 3.182 -4.209 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.475 1.824 -4.172 1.00 0.00 C ATOM 111 CG2 ILE A 7 -12.019 3.317 -5.477 1.00 0.00 C ATOM 112 CD1 ILE A 7 -11.097 0.845 -3.200 1.00 0.00 C ATOM 0 H ILE A 7 -8.398 3.664 -5.019 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.688 5.286 -4.198 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.855 3.241 -3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.487 1.389 -5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.430 1.976 -3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.732 2.495 -5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.558 4.264 -5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.364 3.289 -6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.544 -0.094 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.061 1.260 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.134 0.663 -3.480 1.00 0.00 H new ATOM 124 N THR A 8 -10.026 5.010 -1.775 1.00 0.00 N ATOM 125 CA THR A 8 -9.478 5.039 -0.421 1.00 0.00 C ATOM 126 C THR A 8 -10.277 4.130 0.509 1.00 0.00 C ATOM 127 O THR A 8 -11.465 4.361 0.750 1.00 0.00 O ATOM 128 CB THR A 8 -9.470 6.472 0.126 1.00 0.00 C ATOM 129 OG1 THR A 8 -9.555 7.419 -0.924 1.00 0.00 O ATOM 130 CG2 THR A 8 -8.236 6.800 0.937 1.00 0.00 C ATOM 0 H THR A 8 -10.847 5.600 -1.909 1.00 0.00 H new ATOM 0 HA THR A 8 -8.452 4.673 -0.466 1.00 0.00 H new ATOM 0 HB THR A 8 -10.341 6.529 0.778 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.550 8.324 -0.549 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.297 7.829 1.292 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.171 6.125 1.790 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.349 6.684 0.314 1.00 0.00 H new ATOM 138 N VAL A 9 -9.617 3.097 1.030 1.00 0.00 N ATOM 139 CA VAL A 9 -10.260 2.148 1.935 1.00 0.00 C ATOM 140 C VAL A 9 -9.707 2.277 3.353 1.00 0.00 C ATOM 141 O VAL A 9 -8.529 2.579 3.544 1.00 0.00 O ATOM 142 CB VAL A 9 -10.079 0.694 1.453 1.00 0.00 C ATOM 143 CG1 VAL A 9 -10.820 0.472 0.143 1.00 0.00 C ATOM 144 CG2 VAL A 9 -8.602 0.351 1.305 1.00 0.00 C ATOM 0 H VAL A 9 -8.635 2.896 0.840 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.323 2.389 1.939 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.504 0.029 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.682 -0.559 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.882 0.667 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.427 1.148 -0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.500 -0.679 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.144 1.021 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.104 0.466 2.268 1.00 0.00 H new ATOM 154 N THR A 10 -10.566 2.047 4.343 1.00 0.00 N ATOM 155 CA THR A 10 -10.164 2.138 5.744 1.00 0.00 C ATOM 156 C THR A 10 -10.368 0.801 6.456 1.00 0.00 C ATOM 157 O THR A 10 -11.452 0.219 6.402 1.00 0.00 O ATOM 158 CB THR A 10 -10.961 3.238 6.454 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.163 4.348 5.595 1.00 0.00 O ATOM 160 CG2 THR A 10 -10.289 3.747 7.710 1.00 0.00 C ATOM 0 H THR A 10 -11.544 1.796 4.201 1.00 0.00 H new ATOM 0 HA THR A 10 -9.104 2.388 5.779 1.00 0.00 H new ATOM 0 HB THR A 10 -11.909 2.775 6.729 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.675 5.038 6.067 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.905 4.523 8.163 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.165 2.925 8.415 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.312 4.160 7.458 1.00 0.00 H new ATOM 168 N LEU A 11 -9.315 0.317 7.117 1.00 0.00 N ATOM 169 CA LEU A 11 -9.374 -0.957 7.833 1.00 0.00 C ATOM 170 C LEU A 11 -8.773 -0.838 9.235 1.00 0.00 C ATOM 171 O LEU A 11 -8.089 0.139 9.548 1.00 0.00 O ATOM 172 CB LEU A 11 -8.633 -2.039 7.041 1.00 0.00 C ATOM 173 CG LEU A 11 -9.134 -2.256 5.610 1.00 0.00 C ATOM 174 CD1 LEU A 11 -7.967 -2.412 4.645 1.00 0.00 C ATOM 175 CD2 LEU A 11 -10.048 -3.470 5.545 1.00 0.00 C ATOM 0 H LEU A 11 -8.412 0.788 7.171 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.423 -1.235 7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.575 -1.779 7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.711 -2.981 7.583 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.705 -1.377 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.348 -2.565 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.353 -1.512 4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.364 -3.271 4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.395 -3.610 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.500 -4.356 5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.905 -3.316 6.201 1.00 0.00 H new ATOM 187 N LYS A 12 -9.030 -1.844 10.071 1.00 0.00 N ATOM 188 CA LYS A 12 -8.513 -1.866 11.440 1.00 0.00 C ATOM 189 C LYS A 12 -7.434 -2.939 11.594 1.00 0.00 C ATOM 190 O LYS A 12 -7.149 -3.684 10.654 1.00 0.00 O ATOM 191 CB LYS A 12 -9.650 -2.119 12.434 1.00 0.00 C ATOM 192 CG LYS A 12 -10.053 -0.885 13.227 1.00 0.00 C ATOM 193 CD LYS A 12 -11.533 -0.904 13.576 1.00 0.00 C ATOM 194 CE LYS A 12 -12.099 0.503 13.693 1.00 0.00 C ATOM 195 NZ LYS A 12 -12.206 1.176 12.367 1.00 0.00 N ATOM 0 H LYS A 12 -9.595 -2.657 9.823 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.068 -0.894 11.652 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.519 -2.492 11.892 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.347 -2.903 13.128 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.463 -0.831 14.142 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.826 0.010 12.648 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.081 -1.455 12.811 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.679 -1.435 14.517 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.084 0.460 14.158 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.463 1.096 14.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.832 2.144 12.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.657 0.643 11.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.204 1.211 12.075 1.00 0.00 H new ATOM 209 N LYS A 13 -6.835 -3.013 12.782 1.00 0.00 N ATOM 210 CA LYS A 13 -5.787 -3.994 13.050 1.00 0.00 C ATOM 211 C LYS A 13 -6.297 -5.123 13.945 1.00 0.00 C ATOM 212 O LYS A 13 -6.242 -5.030 15.173 1.00 0.00 O ATOM 213 CB LYS A 13 -4.577 -3.317 13.700 1.00 0.00 C ATOM 214 CG LYS A 13 -3.837 -2.367 12.770 1.00 0.00 C ATOM 215 CD LYS A 13 -3.016 -1.350 13.548 1.00 0.00 C ATOM 216 CE LYS A 13 -1.526 -1.636 13.442 1.00 0.00 C ATOM 217 NZ LYS A 13 -0.708 -0.573 14.088 1.00 0.00 N ATOM 0 H LYS A 13 -7.057 -2.407 13.571 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.486 -4.427 12.096 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.909 -2.766 14.580 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.885 -4.084 14.047 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.182 -2.938 12.112 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.554 -1.847 12.134 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.223 -0.349 13.170 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.316 -1.364 14.596 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.307 -2.596 13.909 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.247 -1.721 12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.298 -0.733 13.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.995 0.357 13.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.855 -0.599 15.117 1.00 0.00 H new ATOM 231 N GLN A 14 -6.781 -6.194 13.318 1.00 0.00 N ATOM 232 CA GLN A 14 -7.290 -7.353 14.053 1.00 0.00 C ATOM 233 C GLN A 14 -6.135 -8.175 14.618 1.00 0.00 C ATOM 234 O GLN A 14 -6.158 -8.583 15.780 1.00 0.00 O ATOM 235 CB GLN A 14 -8.153 -8.227 13.140 1.00 0.00 C ATOM 236 CG GLN A 14 -9.623 -8.236 13.521 1.00 0.00 C ATOM 237 CD GLN A 14 -10.431 -7.198 12.765 1.00 0.00 C ATOM 238 OE1 GLN A 14 -11.049 -6.319 13.366 1.00 0.00 O ATOM 239 NE2 GLN A 14 -10.430 -7.293 11.439 1.00 0.00 N ATOM 0 H GLN A 14 -6.832 -6.284 12.303 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.903 -6.993 14.879 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.054 -7.874 12.113 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.774 -9.249 13.164 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.038 -9.225 13.327 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.718 -8.055 14.592 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.904 -8.037 10.981 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.955 -6.621 10.879 1.00 0.00 H new ATOM 248 N ASN A 15 -5.127 -8.408 13.781 1.00 0.00 N ATOM 249 CA ASN A 15 -3.947 -9.171 14.176 1.00 0.00 C ATOM 250 C ASN A 15 -2.837 -9.004 13.136 1.00 0.00 C ATOM 251 O ASN A 15 -2.199 -9.975 12.724 1.00 0.00 O ATOM 252 CB ASN A 15 -4.299 -10.654 14.350 1.00 0.00 C ATOM 253 CG ASN A 15 -3.260 -11.403 15.164 1.00 0.00 C ATOM 254 OD1 ASN A 15 -2.975 -11.045 16.307 1.00 0.00 O ATOM 255 ND2 ASN A 15 -2.686 -12.450 14.581 1.00 0.00 N ATOM 0 H ASN A 15 -5.105 -8.076 12.817 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.590 -8.788 15.132 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.270 -10.739 14.838 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.393 -11.120 13.369 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.981 -12.990 15.083 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.951 -12.714 13.632 1.00 0.00 H new ATOM 262 N GLY A 16 -2.621 -7.757 12.710 1.00 0.00 N ATOM 263 CA GLY A 16 -1.602 -7.471 11.716 1.00 0.00 C ATOM 264 C GLY A 16 -2.157 -7.498 10.303 1.00 0.00 C ATOM 265 O GLY A 16 -3.052 -8.290 10.000 1.00 0.00 O ATOM 0 H GLY A 16 -3.137 -6.941 13.039 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.167 -6.492 11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.797 -8.201 11.803 1.00 0.00 H new ATOM 269 N MET A 17 -1.630 -6.632 9.437 1.00 0.00 N ATOM 270 CA MET A 17 -2.084 -6.564 8.049 1.00 0.00 C ATOM 271 C MET A 17 -1.816 -7.881 7.321 1.00 0.00 C ATOM 272 O MET A 17 -2.660 -8.358 6.562 1.00 0.00 O ATOM 273 CB MET A 17 -1.403 -5.402 7.316 1.00 0.00 C ATOM 274 CG MET A 17 -2.312 -4.200 7.108 1.00 0.00 C ATOM 275 SD MET A 17 -1.559 -2.658 7.660 1.00 0.00 S ATOM 276 CE MET A 17 -0.370 -2.366 6.352 1.00 0.00 C ATOM 0 H MET A 17 -0.890 -5.970 9.672 1.00 0.00 H new ATOM 0 HA MET A 17 -3.160 -6.390 8.055 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.525 -5.090 7.882 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.049 -5.752 6.346 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.565 -4.119 6.051 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.246 -4.358 7.648 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.347 -1.611 6.674 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.156 -3.293 6.125 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.889 -2.016 5.460 1.00 0.00 H new ATOM 286 N GLY A 18 -0.642 -8.468 7.569 1.00 0.00 N ATOM 287 CA GLY A 18 -0.286 -9.732 6.943 1.00 0.00 C ATOM 288 C GLY A 18 -0.241 -9.653 5.429 1.00 0.00 C ATOM 289 O GLY A 18 -1.076 -10.248 4.750 1.00 0.00 O ATOM 0 H GLY A 18 0.069 -8.088 8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.688 -10.053 7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.007 -10.494 7.240 1.00 0.00 H new ATOM 293 N LEU A 19 0.735 -8.918 4.900 1.00 0.00 N ATOM 294 CA LEU A 19 0.891 -8.770 3.452 1.00 0.00 C ATOM 295 C LEU A 19 2.305 -8.301 3.097 1.00 0.00 C ATOM 296 O LEU A 19 3.067 -7.892 3.973 1.00 0.00 O ATOM 297 CB LEU A 19 -0.146 -7.787 2.898 1.00 0.00 C ATOM 298 CG LEU A 19 0.093 -6.323 3.262 1.00 0.00 C ATOM 299 CD1 LEU A 19 0.760 -5.588 2.109 1.00 0.00 C ATOM 300 CD2 LEU A 19 -1.212 -5.644 3.649 1.00 0.00 C ATOM 0 H LEU A 19 1.430 -8.415 5.451 1.00 0.00 H new ATOM 0 HA LEU A 19 0.729 -9.746 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.166 -7.877 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.132 -8.080 3.260 1.00 0.00 H new ATOM 0 HG LEU A 19 0.761 -6.289 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.922 -4.547 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.718 -6.057 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.118 -5.633 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.018 -4.602 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.908 -5.689 2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.646 -6.154 4.509 1.00 0.00 H new ATOM 312 N SER A 20 2.644 -8.359 1.808 1.00 0.00 N ATOM 313 CA SER A 20 3.966 -7.936 1.337 1.00 0.00 C ATOM 314 C SER A 20 3.858 -6.731 0.400 1.00 0.00 C ATOM 315 O SER A 20 2.832 -6.536 -0.253 1.00 0.00 O ATOM 316 CB SER A 20 4.664 -9.096 0.621 1.00 0.00 C ATOM 317 OG SER A 20 5.220 -10.005 1.553 1.00 0.00 O ATOM 0 H SER A 20 2.023 -8.694 1.072 1.00 0.00 H new ATOM 0 HA SER A 20 4.557 -7.640 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.950 -9.616 -0.018 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.450 -8.708 -0.028 1.00 0.00 H new ATOM 0 HG SER A 20 5.659 -10.738 1.073 1.00 0.00 H new ATOM 323 N ILE A 21 4.923 -5.923 0.338 1.00 0.00 N ATOM 324 CA ILE A 21 4.936 -4.736 -0.524 1.00 0.00 C ATOM 325 C ILE A 21 6.120 -4.754 -1.493 1.00 0.00 C ATOM 326 O ILE A 21 7.059 -5.530 -1.323 1.00 0.00 O ATOM 327 CB ILE A 21 4.983 -3.434 0.305 1.00 0.00 C ATOM 328 CG1 ILE A 21 6.087 -3.502 1.368 1.00 0.00 C ATOM 329 CG2 ILE A 21 3.631 -3.171 0.949 1.00 0.00 C ATOM 330 CD1 ILE A 21 7.484 -3.365 0.802 1.00 0.00 C ATOM 0 H ILE A 21 5.781 -6.068 0.870 1.00 0.00 H new ATOM 0 HA ILE A 21 4.009 -4.762 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 21 5.215 -2.607 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.922 -2.713 2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.011 -4.451 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.678 -2.250 1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.872 -3.072 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.373 -4.002 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.212 -3.422 1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.669 -4.170 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.579 -2.404 0.296 1.00 0.00 H new ATOM 342 N VAL A 22 6.067 -3.891 -2.512 1.00 0.00 N ATOM 343 CA VAL A 22 7.136 -3.808 -3.511 1.00 0.00 C ATOM 344 C VAL A 22 7.238 -2.403 -4.106 1.00 0.00 C ATOM 345 O VAL A 22 6.226 -1.754 -4.367 1.00 0.00 O ATOM 346 CB VAL A 22 6.916 -4.815 -4.665 1.00 0.00 C ATOM 347 CG1 VAL A 22 8.112 -4.835 -5.609 1.00 0.00 C ATOM 348 CG2 VAL A 22 6.640 -6.210 -4.128 1.00 0.00 C ATOM 0 H VAL A 22 5.296 -3.241 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 22 8.062 -4.051 -2.990 1.00 0.00 H new ATOM 0 HB VAL A 22 6.042 -4.487 -5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.931 -5.551 -6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.256 -3.842 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.006 -5.126 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.489 -6.897 -4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.488 -6.544 -3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.744 -6.190 -3.507 1.00 0.00 H new ATOM 358 N ALA A 23 8.471 -1.947 -4.331 1.00 0.00 N ATOM 359 CA ALA A 23 8.711 -0.627 -4.910 1.00 0.00 C ATOM 360 C ALA A 23 8.718 -0.700 -6.437 1.00 0.00 C ATOM 361 O ALA A 23 8.932 -1.769 -7.012 1.00 0.00 O ATOM 362 CB ALA A 23 10.028 -0.059 -4.400 1.00 0.00 C ATOM 0 H ALA A 23 9.319 -2.474 -4.120 1.00 0.00 H new ATOM 0 HA ALA A 23 7.902 0.036 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.194 0.925 -4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.990 0.030 -3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.844 -0.725 -4.681 1.00 0.00 H new ATOM 368 N ALA A 24 8.485 0.439 -7.093 1.00 0.00 N ATOM 369 CA ALA A 24 8.469 0.483 -8.553 1.00 0.00 C ATOM 370 C ALA A 24 8.791 1.878 -9.077 1.00 0.00 C ATOM 371 O ALA A 24 8.234 2.875 -8.610 1.00 0.00 O ATOM 372 CB ALA A 24 7.121 0.021 -9.086 1.00 0.00 C ATOM 0 H ALA A 24 8.306 1.335 -6.639 1.00 0.00 H new ATOM 0 HA ALA A 24 9.244 -0.196 -8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.128 0.060 -10.175 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.933 -1.002 -8.761 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.336 0.673 -8.704 1.00 0.00 H new ATOM 378 N LYS A 25 9.691 1.934 -10.057 1.00 0.00 N ATOM 379 CA LYS A 25 10.098 3.197 -10.666 1.00 0.00 C ATOM 380 C LYS A 25 9.995 3.122 -12.190 1.00 0.00 C ATOM 381 O LYS A 25 9.616 2.090 -12.747 1.00 0.00 O ATOM 382 CB LYS A 25 11.532 3.544 -10.253 1.00 0.00 C ATOM 383 CG LYS A 25 11.679 4.944 -9.680 1.00 0.00 C ATOM 384 CD LYS A 25 13.129 5.263 -9.349 1.00 0.00 C ATOM 385 CE LYS A 25 13.300 6.719 -8.937 1.00 0.00 C ATOM 386 NZ LYS A 25 13.315 6.887 -7.456 1.00 0.00 N ATOM 0 H LYS A 25 10.154 1.113 -10.448 1.00 0.00 H new ATOM 0 HA LYS A 25 9.426 3.980 -10.313 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.873 2.820 -9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.185 3.445 -11.120 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.300 5.673 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.071 5.035 -8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.471 4.613 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.756 5.053 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.230 7.106 -9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.489 7.312 -9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.971 7.652 -7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.359 7.125 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.626 6.001 -7.009 1.00 0.00 H new ATOM 400 N GLY A 26 10.339 4.222 -12.860 1.00 0.00 N ATOM 401 CA GLY A 26 10.283 4.264 -14.307 1.00 0.00 C ATOM 402 C GLY A 26 10.881 5.539 -14.853 1.00 0.00 C ATOM 403 O GLY A 26 11.895 6.023 -14.345 1.00 0.00 O ATOM 0 H GLY A 26 10.656 5.086 -12.421 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.817 3.407 -14.717 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.247 4.179 -14.634 1.00 0.00 H new ATOM 407 N ALA A 27 10.248 6.093 -15.877 1.00 0.00 N ATOM 408 CA ALA A 27 10.724 7.331 -16.475 1.00 0.00 C ATOM 409 C ALA A 27 9.823 8.498 -16.084 1.00 0.00 C ATOM 410 O ALA A 27 8.620 8.322 -15.881 1.00 0.00 O ATOM 411 CB ALA A 27 10.810 7.203 -17.989 1.00 0.00 C ATOM 0 H ALA A 27 9.408 5.707 -16.309 1.00 0.00 H new ATOM 0 HA ALA A 27 11.726 7.529 -16.094 1.00 0.00 H new ATOM 0 HB1 ALA A 27 11.168 8.141 -18.414 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.501 6.400 -18.248 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.823 6.976 -18.392 1.00 0.00 H new ATOM 417 N GLY A 28 10.416 9.686 -15.962 1.00 0.00 N ATOM 418 CA GLY A 28 9.651 10.859 -15.574 1.00 0.00 C ATOM 419 C GLY A 28 9.030 10.694 -14.201 1.00 0.00 C ATOM 420 O GLY A 28 7.906 11.138 -13.958 1.00 0.00 O ATOM 0 H GLY A 28 11.409 9.855 -16.125 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.300 11.734 -15.577 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.867 11.041 -16.309 1.00 0.00 H new ATOM 424 N GLN A 29 9.765 10.034 -13.305 1.00 0.00 N ATOM 425 CA GLN A 29 9.292 9.786 -11.953 1.00 0.00 C ATOM 426 C GLN A 29 10.376 10.117 -10.931 1.00 0.00 C ATOM 427 O GLN A 29 11.349 9.374 -10.784 1.00 0.00 O ATOM 428 CB GLN A 29 8.869 8.324 -11.807 1.00 0.00 C ATOM 429 CG GLN A 29 7.679 8.125 -10.884 1.00 0.00 C ATOM 430 CD GLN A 29 6.447 7.633 -11.620 1.00 0.00 C ATOM 431 OE1 GLN A 29 5.356 8.178 -11.459 1.00 0.00 O ATOM 432 NE2 GLN A 29 6.617 6.597 -12.436 1.00 0.00 N ATOM 0 H GLN A 29 10.695 9.662 -13.498 1.00 0.00 H new ATOM 0 HA GLN A 29 8.433 10.430 -11.766 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.625 7.925 -12.792 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.712 7.746 -11.429 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.943 7.409 -10.106 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.448 9.067 -10.386 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.540 6.175 -12.539 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.824 6.224 -12.959 1.00 0.00 H new ATOM 441 N ASP A 30 10.200 11.232 -10.225 1.00 0.00 N ATOM 442 CA ASP A 30 11.164 11.657 -9.213 1.00 0.00 C ATOM 443 C ASP A 30 10.820 11.085 -7.834 1.00 0.00 C ATOM 444 O ASP A 30 11.262 11.606 -6.809 1.00 0.00 O ATOM 445 CB ASP A 30 11.220 13.188 -9.152 1.00 0.00 C ATOM 446 CG ASP A 30 12.616 13.713 -8.875 1.00 0.00 C ATOM 447 OD1 ASP A 30 13.292 13.165 -7.979 1.00 0.00 O ATOM 448 OD2 ASP A 30 13.034 14.674 -9.554 1.00 0.00 O ATOM 0 H ASP A 30 9.401 11.856 -10.335 1.00 0.00 H new ATOM 0 HA ASP A 30 12.143 11.271 -9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.863 13.598 -10.097 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.543 13.541 -8.375 1.00 0.00 H new ATOM 453 N LYS A 31 10.033 10.008 -7.816 1.00 0.00 N ATOM 454 CA LYS A 31 9.633 9.365 -6.569 1.00 0.00 C ATOM 455 C LYS A 31 9.547 7.846 -6.743 1.00 0.00 C ATOM 456 O LYS A 31 9.987 7.305 -7.760 1.00 0.00 O ATOM 457 CB LYS A 31 8.285 9.921 -6.096 1.00 0.00 C ATOM 458 CG LYS A 31 8.225 11.441 -6.050 1.00 0.00 C ATOM 459 CD LYS A 31 9.067 12.009 -4.916 1.00 0.00 C ATOM 460 CE LYS A 31 9.493 13.443 -5.198 1.00 0.00 C ATOM 461 NZ LYS A 31 8.331 14.378 -5.227 1.00 0.00 N ATOM 0 H LYS A 31 9.660 9.564 -8.655 1.00 0.00 H new ATOM 0 HA LYS A 31 10.389 9.581 -5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.500 9.556 -6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.070 9.529 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.574 11.847 -7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.190 11.760 -5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.498 11.974 -3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.951 11.388 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.200 13.768 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.015 13.484 -6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.667 15.343 -5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.668 14.085 -5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.847 14.359 -4.307 1.00 0.00 H new ATOM 475 N LEU A 32 8.979 7.164 -5.747 1.00 0.00 N ATOM 476 CA LEU A 32 8.835 5.711 -5.794 1.00 0.00 C ATOM 477 C LEU A 32 7.466 5.285 -5.269 1.00 0.00 C ATOM 478 O LEU A 32 7.038 5.726 -4.201 1.00 0.00 O ATOM 479 CB LEU A 32 9.940 5.034 -4.978 1.00 0.00 C ATOM 480 CG LEU A 32 11.070 4.407 -5.802 1.00 0.00 C ATOM 481 CD1 LEU A 32 12.156 3.864 -4.884 1.00 0.00 C ATOM 482 CD2 LEU A 32 10.534 3.307 -6.707 1.00 0.00 C ATOM 0 H LEU A 32 8.612 7.596 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 32 8.923 5.398 -6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.372 5.770 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.489 4.258 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 32 11.505 5.182 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.952 3.422 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.564 4.676 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.731 3.104 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.354 2.877 -7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.070 2.530 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.793 3.725 -7.389 1.00 0.00 H new ATOM 494 N GLY A 33 6.786 4.429 -6.031 1.00 0.00 N ATOM 495 CA GLY A 33 5.470 3.959 -5.631 1.00 0.00 C ATOM 496 C GLY A 33 5.524 2.698 -4.782 1.00 0.00 C ATOM 497 O GLY A 33 6.447 1.893 -4.916 1.00 0.00 O ATOM 0 H GLY A 33 7.123 4.053 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.963 4.746 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.873 3.766 -6.522 1.00 0.00 H new ATOM 501 N ILE A 34 4.531 2.530 -3.907 1.00 0.00 N ATOM 502 CA ILE A 34 4.463 1.361 -3.029 1.00 0.00 C ATOM 503 C ILE A 34 3.376 0.391 -3.484 1.00 0.00 C ATOM 504 O ILE A 34 2.188 0.685 -3.378 1.00 0.00 O ATOM 505 CB ILE A 34 4.189 1.773 -1.565 1.00 0.00 C ATOM 506 CG1 ILE A 34 5.106 2.927 -1.153 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.369 0.585 -0.626 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.581 2.620 -1.311 1.00 0.00 C ATOM 0 H ILE A 34 3.762 3.190 -3.788 1.00 0.00 H new ATOM 0 HA ILE A 34 5.433 0.867 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 34 3.155 2.110 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.861 3.805 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.907 3.184 -0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.171 0.898 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.674 -0.207 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.391 0.214 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.168 3.484 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.842 1.762 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.796 2.393 -2.355 1.00 0.00 H new ATOM 520 N TYR A 35 3.793 -0.764 -3.992 1.00 0.00 N ATOM 521 CA TYR A 35 2.858 -1.780 -4.467 1.00 0.00 C ATOM 522 C TYR A 35 2.732 -2.927 -3.465 1.00 0.00 C ATOM 523 O TYR A 35 3.453 -2.972 -2.467 1.00 0.00 O ATOM 524 CB TYR A 35 3.316 -2.321 -5.825 1.00 0.00 C ATOM 525 CG TYR A 35 3.371 -1.268 -6.911 1.00 0.00 C ATOM 526 CD1 TYR A 35 4.272 -0.212 -6.838 1.00 0.00 C ATOM 527 CD2 TYR A 35 2.523 -1.330 -8.008 1.00 0.00 C ATOM 528 CE1 TYR A 35 4.321 0.753 -7.822 1.00 0.00 C ATOM 529 CE2 TYR A 35 2.567 -0.369 -8.998 1.00 0.00 C ATOM 530 CZ TYR A 35 3.470 0.669 -8.903 1.00 0.00 C ATOM 531 OH TYR A 35 3.518 1.629 -9.888 1.00 0.00 O ATOM 0 H TYR A 35 4.776 -1.021 -4.086 1.00 0.00 H new ATOM 0 HA TYR A 35 1.879 -1.314 -4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.304 -2.768 -5.714 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.639 -3.117 -6.136 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.945 -0.146 -5.996 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.817 -2.143 -8.088 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.023 1.570 -7.746 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.897 -0.430 -9.843 1.00 0.00 H new ATOM 0 HH TYR A 35 2.854 1.422 -10.579 1.00 0.00 H new ATOM 541 N VAL A 36 1.813 -3.851 -3.740 1.00 0.00 N ATOM 542 CA VAL A 36 1.592 -5.001 -2.867 1.00 0.00 C ATOM 543 C VAL A 36 2.027 -6.297 -3.548 1.00 0.00 C ATOM 544 O VAL A 36 1.406 -6.735 -4.518 1.00 0.00 O ATOM 545 CB VAL A 36 0.108 -5.124 -2.458 1.00 0.00 C ATOM 546 CG1 VAL A 36 -0.088 -6.279 -1.487 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.397 -3.820 -1.857 1.00 0.00 C ATOM 0 H VAL A 36 1.209 -3.825 -4.562 1.00 0.00 H new ATOM 0 HA VAL A 36 2.194 -4.839 -1.973 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.476 -5.331 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.140 -6.348 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.225 -7.210 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.511 -6.108 -0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.444 -3.930 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.192 -3.575 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.300 -3.020 -2.591 1.00 0.00 H new ATOM 557 N LYS A 37 3.090 -6.910 -3.030 1.00 0.00 N ATOM 558 CA LYS A 37 3.598 -8.164 -3.582 1.00 0.00 C ATOM 559 C LYS A 37 2.532 -9.254 -3.508 1.00 0.00 C ATOM 560 O LYS A 37 2.258 -9.936 -4.497 1.00 0.00 O ATOM 561 CB LYS A 37 4.849 -8.619 -2.827 1.00 0.00 C ATOM 562 CG LYS A 37 5.672 -9.651 -3.584 1.00 0.00 C ATOM 563 CD LYS A 37 7.152 -9.302 -3.591 1.00 0.00 C ATOM 564 CE LYS A 37 8.018 -10.548 -3.485 1.00 0.00 C ATOM 565 NZ LYS A 37 9.282 -10.420 -4.264 1.00 0.00 N ATOM 0 H LYS A 37 3.616 -6.559 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 37 3.858 -7.990 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.473 -7.750 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.552 -9.037 -1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.532 -10.631 -3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.311 -9.722 -4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.396 -8.765 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.373 -8.632 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.255 -10.736 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.457 -11.411 -3.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.960 -11.141 -3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.082 -10.555 -5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.687 -9.474 -4.115 1.00 0.00 H new ATOM 579 N SER A 38 1.937 -9.408 -2.326 1.00 0.00 N ATOM 580 CA SER A 38 0.899 -10.411 -2.110 1.00 0.00 C ATOM 581 C SER A 38 0.334 -10.314 -0.695 1.00 0.00 C ATOM 582 O SER A 38 1.086 -10.266 0.281 1.00 0.00 O ATOM 583 CB SER A 38 1.454 -11.819 -2.355 1.00 0.00 C ATOM 584 OG SER A 38 2.305 -12.232 -1.298 1.00 0.00 O ATOM 0 H SER A 38 2.158 -8.849 -1.502 1.00 0.00 H new ATOM 0 HA SER A 38 0.094 -10.219 -2.819 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.629 -12.524 -2.456 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.005 -11.836 -3.295 1.00 0.00 H new ATOM 0 HG SER A 38 2.125 -11.689 -0.502 1.00 0.00 H new ATOM 590 N VAL A 39 -0.994 -10.297 -0.588 1.00 0.00 N ATOM 591 CA VAL A 39 -1.652 -10.221 0.711 1.00 0.00 C ATOM 592 C VAL A 39 -1.743 -11.605 1.343 1.00 0.00 C ATOM 593 O VAL A 39 -2.225 -12.553 0.718 1.00 0.00 O ATOM 594 CB VAL A 39 -3.067 -9.609 0.610 1.00 0.00 C ATOM 595 CG1 VAL A 39 -3.635 -9.345 1.998 1.00 0.00 C ATOM 596 CG2 VAL A 39 -3.039 -8.328 -0.213 1.00 0.00 C ATOM 0 H VAL A 39 -1.631 -10.335 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.045 -9.568 1.338 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.716 -10.324 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.632 -8.914 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.694 -10.282 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.986 -8.649 2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.045 -7.912 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.375 -7.605 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.677 -8.549 -1.217 1.00 0.00 H new ATOM 606 N VAL A 40 -1.269 -11.717 2.579 1.00 0.00 N ATOM 607 CA VAL A 40 -1.289 -12.990 3.293 1.00 0.00 C ATOM 608 C VAL A 40 -2.669 -13.268 3.881 1.00 0.00 C ATOM 609 O VAL A 40 -3.233 -12.434 4.592 1.00 0.00 O ATOM 610 CB VAL A 40 -0.239 -13.025 4.427 1.00 0.00 C ATOM 611 CG1 VAL A 40 -0.094 -14.433 4.983 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.104 -12.498 3.936 1.00 0.00 C ATOM 0 H VAL A 40 -0.866 -10.943 3.108 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.044 -13.762 2.564 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.585 -12.376 5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.650 -14.435 5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.052 -14.768 5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.224 -15.107 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.828 -12.532 4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.457 -13.116 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.989 -11.469 3.596 1.00 0.00 H new ATOM 622 N LYS A 41 -3.204 -14.450 3.581 1.00 0.00 N ATOM 623 CA LYS A 41 -4.516 -14.850 4.079 1.00 0.00 C ATOM 624 C LYS A 41 -4.522 -14.903 5.604 1.00 0.00 C ATOM 625 O LYS A 41 -3.656 -15.534 6.214 1.00 0.00 O ATOM 626 CB LYS A 41 -4.903 -16.220 3.512 1.00 0.00 C ATOM 627 CG LYS A 41 -6.217 -16.217 2.749 1.00 0.00 C ATOM 628 CD LYS A 41 -6.120 -15.404 1.465 1.00 0.00 C ATOM 629 CE LYS A 41 -6.132 -16.295 0.232 1.00 0.00 C ATOM 630 NZ LYS A 41 -4.757 -16.604 -0.251 1.00 0.00 N ATOM 0 H LYS A 41 -2.747 -15.148 2.994 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.244 -14.108 3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.110 -16.566 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.970 -16.936 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.502 -17.242 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.004 -15.806 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.953 -14.702 1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.205 -14.812 1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.652 -17.225 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.693 -15.805 -0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.813 -17.213 -1.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.268 -15.719 -0.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.228 -17.096 0.498 1.00 0.00 H new ATOM 644 N GLY A 42 -5.498 -14.235 6.213 1.00 0.00 N ATOM 645 CA GLY A 42 -5.596 -14.216 7.663 1.00 0.00 C ATOM 646 C GLY A 42 -5.448 -12.822 8.249 1.00 0.00 C ATOM 647 O GLY A 42 -5.862 -12.576 9.384 1.00 0.00 O ATOM 0 H GLY A 42 -6.223 -13.706 5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.559 -14.630 7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.827 -14.864 8.082 1.00 0.00 H new ATOM 651 N GLY A 43 -4.861 -11.906 7.477 1.00 0.00 N ATOM 652 CA GLY A 43 -4.679 -10.545 7.948 1.00 0.00 C ATOM 653 C GLY A 43 -5.983 -9.765 8.004 1.00 0.00 C ATOM 654 O GLY A 43 -7.066 -10.351 7.997 1.00 0.00 O ATOM 0 H GLY A 43 -4.510 -12.084 6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.229 -10.565 8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.979 -10.028 7.292 1.00 0.00 H new ATOM 658 N ALA A 44 -5.880 -8.439 8.066 1.00 0.00 N ATOM 659 CA ALA A 44 -7.061 -7.577 8.131 1.00 0.00 C ATOM 660 C ALA A 44 -7.520 -7.131 6.742 1.00 0.00 C ATOM 661 O ALA A 44 -8.718 -6.975 6.498 1.00 0.00 O ATOM 662 CB ALA A 44 -6.780 -6.364 9.007 1.00 0.00 C ATOM 0 H ALA A 44 -4.992 -7.937 8.073 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.869 -8.161 8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.666 -5.731 9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.524 -6.694 10.014 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.948 -5.798 8.588 1.00 0.00 H new ATOM 668 N ALA A 45 -6.565 -6.920 5.836 1.00 0.00 N ATOM 669 CA ALA A 45 -6.880 -6.486 4.476 1.00 0.00 C ATOM 670 C ALA A 45 -7.391 -7.642 3.614 1.00 0.00 C ATOM 671 O ALA A 45 -8.236 -7.443 2.738 1.00 0.00 O ATOM 672 CB ALA A 45 -5.658 -5.845 3.831 1.00 0.00 C ATOM 0 H ALA A 45 -5.569 -7.042 6.019 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.679 -5.748 4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.906 -5.526 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.348 -4.980 4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.844 -6.569 3.794 1.00 0.00 H new ATOM 678 N ASP A 46 -6.873 -8.844 3.858 1.00 0.00 N ATOM 679 CA ASP A 46 -7.277 -10.020 3.092 1.00 0.00 C ATOM 680 C ASP A 46 -8.727 -10.410 3.380 1.00 0.00 C ATOM 681 O ASP A 46 -9.501 -10.657 2.455 1.00 0.00 O ATOM 682 CB ASP A 46 -6.351 -11.203 3.391 1.00 0.00 C ATOM 683 CG ASP A 46 -6.074 -12.046 2.161 1.00 0.00 C ATOM 684 OD1 ASP A 46 -7.041 -12.410 1.458 1.00 0.00 O ATOM 685 OD2 ASP A 46 -4.891 -12.346 1.900 1.00 0.00 O ATOM 0 H ASP A 46 -6.175 -9.029 4.578 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.199 -9.762 2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.409 -10.831 3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.802 -11.828 4.162 1.00 0.00 H new ATOM 690 N VAL A 47 -9.089 -10.469 4.660 1.00 0.00 N ATOM 691 CA VAL A 47 -10.451 -10.838 5.052 1.00 0.00 C ATOM 692 C VAL A 47 -11.478 -9.855 4.488 1.00 0.00 C ATOM 693 O VAL A 47 -12.536 -10.262 4.008 1.00 0.00 O ATOM 694 CB VAL A 47 -10.611 -10.908 6.587 1.00 0.00 C ATOM 695 CG1 VAL A 47 -12.022 -11.341 6.965 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.582 -11.848 7.194 1.00 0.00 C ATOM 0 H VAL A 47 -8.464 -10.268 5.440 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.632 -11.829 4.635 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.441 -9.910 6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.111 -11.383 8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.741 -10.624 6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.225 -12.326 6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.713 -11.882 8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.714 -12.848 6.781 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.579 -11.489 6.961 1.00 0.00 H new ATOM 706 N ASP A 48 -11.158 -8.562 4.547 1.00 0.00 N ATOM 707 CA ASP A 48 -12.056 -7.527 4.039 1.00 0.00 C ATOM 708 C ASP A 48 -12.288 -7.687 2.536 1.00 0.00 C ATOM 709 O ASP A 48 -13.386 -7.431 2.039 1.00 0.00 O ATOM 710 CB ASP A 48 -11.485 -6.138 4.333 1.00 0.00 C ATOM 711 CG ASP A 48 -12.567 -5.111 4.610 1.00 0.00 C ATOM 712 OD1 ASP A 48 -13.157 -5.153 5.710 1.00 0.00 O ATOM 713 OD2 ASP A 48 -12.818 -4.262 3.731 1.00 0.00 O ATOM 0 H ASP A 48 -10.286 -8.208 4.940 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.014 -7.636 4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.817 -6.198 5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.885 -5.809 3.485 1.00 0.00 H new ATOM 718 N GLY A 49 -11.247 -8.114 1.818 1.00 0.00 N ATOM 719 CA GLY A 49 -11.356 -8.306 0.382 1.00 0.00 C ATOM 720 C GLY A 49 -11.569 -7.007 -0.373 1.00 0.00 C ATOM 721 O GLY A 49 -12.414 -6.934 -1.267 1.00 0.00 O ATOM 0 H GLY A 49 -10.330 -8.330 2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.450 -8.789 0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.185 -8.982 0.173 1.00 0.00 H new ATOM 725 N ARG A 50 -10.798 -5.981 -0.018 1.00 0.00 N ATOM 726 CA ARG A 50 -10.905 -4.681 -0.676 1.00 0.00 C ATOM 727 C ARG A 50 -9.836 -4.526 -1.757 1.00 0.00 C ATOM 728 O ARG A 50 -10.076 -3.899 -2.791 1.00 0.00 O ATOM 729 CB ARG A 50 -10.789 -3.546 0.349 1.00 0.00 C ATOM 730 CG ARG A 50 -12.129 -3.083 0.900 1.00 0.00 C ATOM 731 CD ARG A 50 -12.993 -2.456 -0.184 1.00 0.00 C ATOM 732 NE ARG A 50 -14.354 -2.990 -0.181 1.00 0.00 N ATOM 733 CZ ARG A 50 -15.307 -2.606 0.673 1.00 0.00 C ATOM 734 NH1 ARG A 50 -15.048 -1.694 1.608 1.00 0.00 N ATOM 735 NH2 ARG A 50 -16.522 -3.137 0.594 1.00 0.00 N ATOM 0 H ARG A 50 -10.095 -6.024 0.719 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.885 -4.625 -1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.161 -3.877 1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.284 -2.699 -0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.655 -3.930 1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.964 -2.360 1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.028 -1.376 -0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.537 -2.633 -1.158 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.591 -3.700 -0.874 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.117 -1.283 1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.781 -1.406 2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.727 -3.838 -0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.250 -2.844 1.246 1.00 0.00 H new ATOM 749 N LEU A 51 -8.658 -5.105 -1.516 1.00 0.00 N ATOM 750 CA LEU A 51 -7.557 -5.034 -2.473 1.00 0.00 C ATOM 751 C LEU A 51 -6.900 -6.399 -2.653 1.00 0.00 C ATOM 752 O LEU A 51 -6.842 -7.198 -1.718 1.00 0.00 O ATOM 753 CB LEU A 51 -6.516 -4.006 -2.019 1.00 0.00 C ATOM 754 CG LEU A 51 -6.049 -4.140 -0.565 1.00 0.00 C ATOM 755 CD1 LEU A 51 -4.849 -5.071 -0.465 1.00 0.00 C ATOM 756 CD2 LEU A 51 -5.715 -2.772 0.013 1.00 0.00 C ATOM 0 H LEU A 51 -8.444 -5.627 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.967 -4.720 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.646 -4.083 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.931 -3.008 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.862 -4.573 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.536 -5.150 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.122 -6.058 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.028 -4.672 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.385 -2.884 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.920 -2.313 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.601 -2.138 -0.018 1.00 0.00 H new ATOM 768 N ALA A 52 -6.405 -6.656 -3.864 1.00 0.00 N ATOM 769 CA ALA A 52 -5.748 -7.922 -4.178 1.00 0.00 C ATOM 770 C ALA A 52 -4.245 -7.727 -4.371 1.00 0.00 C ATOM 771 O ALA A 52 -3.703 -6.665 -4.056 1.00 0.00 O ATOM 772 CB ALA A 52 -6.370 -8.544 -5.424 1.00 0.00 C ATOM 0 H ALA A 52 -6.448 -6.001 -4.645 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.894 -8.600 -3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.871 -9.487 -5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.430 -8.727 -5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.253 -7.863 -6.267 1.00 0.00 H new ATOM 778 N ALA A 53 -3.577 -8.760 -4.890 1.00 0.00 N ATOM 779 CA ALA A 53 -2.138 -8.706 -5.128 1.00 0.00 C ATOM 780 C ALA A 53 -1.806 -7.822 -6.326 1.00 0.00 C ATOM 781 O ALA A 53 -2.575 -7.747 -7.287 1.00 0.00 O ATOM 782 CB ALA A 53 -1.585 -10.109 -5.334 1.00 0.00 C ATOM 0 H ALA A 53 -4.013 -9.644 -5.153 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.668 -8.266 -4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.511 -10.054 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.777 -10.710 -4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.071 -10.569 -6.194 1.00 0.00 H new ATOM 788 N GLY A 54 -0.658 -7.149 -6.260 1.00 0.00 N ATOM 789 CA GLY A 54 -0.244 -6.271 -7.340 1.00 0.00 C ATOM 790 C GLY A 54 -1.050 -4.987 -7.377 1.00 0.00 C ATOM 791 O GLY A 54 -1.527 -4.575 -8.436 1.00 0.00 O ATOM 0 H GLY A 54 -0.007 -7.197 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.813 -6.031 -7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.351 -6.793 -8.291 1.00 0.00 H new ATOM 795 N ASP A 55 -1.207 -4.359 -6.213 1.00 0.00 N ATOM 796 CA ASP A 55 -1.963 -3.117 -6.101 1.00 0.00 C ATOM 797 C ASP A 55 -1.055 -1.967 -5.675 1.00 0.00 C ATOM 798 O ASP A 55 -0.308 -2.088 -4.704 1.00 0.00 O ATOM 799 CB ASP A 55 -3.100 -3.286 -5.089 1.00 0.00 C ATOM 800 CG ASP A 55 -4.441 -3.518 -5.755 1.00 0.00 C ATOM 801 OD1 ASP A 55 -5.079 -2.524 -6.170 1.00 0.00 O ATOM 802 OD2 ASP A 55 -4.856 -4.692 -5.857 1.00 0.00 O ATOM 0 H ASP A 55 -0.818 -4.693 -5.331 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.383 -2.881 -7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.875 -4.126 -4.431 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.159 -2.397 -4.462 1.00 0.00 H new ATOM 807 N GLN A 56 -1.124 -0.854 -6.405 1.00 0.00 N ATOM 808 CA GLN A 56 -0.305 0.318 -6.097 1.00 0.00 C ATOM 809 C GLN A 56 -0.920 1.133 -4.960 1.00 0.00 C ATOM 810 O GLN A 56 -2.142 1.225 -4.842 1.00 0.00 O ATOM 811 CB GLN A 56 -0.147 1.204 -7.338 1.00 0.00 C ATOM 812 CG GLN A 56 0.951 2.251 -7.204 1.00 0.00 C ATOM 813 CD GLN A 56 0.426 3.674 -7.295 1.00 0.00 C ATOM 814 OE1 GLN A 56 -0.406 3.990 -8.146 1.00 0.00 O ATOM 815 NE2 GLN A 56 0.915 4.545 -6.417 1.00 0.00 N ATOM 0 H GLN A 56 -1.737 -0.739 -7.212 1.00 0.00 H new ATOM 0 HA GLN A 56 0.676 -0.036 -5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.068 0.572 -8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.094 1.706 -7.539 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.459 2.117 -6.249 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.694 2.093 -7.985 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.603 4.242 -5.728 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.602 5.516 -6.433 1.00 0.00 H new ATOM 824 N LEU A 57 -0.061 1.727 -4.132 1.00 0.00 N ATOM 825 CA LEU A 57 -0.509 2.542 -3.005 1.00 0.00 C ATOM 826 C LEU A 57 -0.053 3.990 -3.169 1.00 0.00 C ATOM 827 O LEU A 57 1.145 4.266 -3.262 1.00 0.00 O ATOM 828 CB LEU A 57 0.032 1.976 -1.688 1.00 0.00 C ATOM 829 CG LEU A 57 -0.568 0.636 -1.254 1.00 0.00 C ATOM 830 CD1 LEU A 57 0.472 -0.208 -0.530 1.00 0.00 C ATOM 831 CD2 LEU A 57 -1.785 0.861 -0.369 1.00 0.00 C ATOM 0 H LEU A 57 0.953 1.658 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.599 2.518 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.112 1.859 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.144 2.707 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.885 0.096 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.026 -1.156 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.314 -0.398 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.821 0.325 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.200 -0.101 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.491 1.422 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.537 1.424 -0.921 1.00 0.00 H new ATOM 843 N LEU A 58 -1.017 4.910 -3.202 1.00 0.00 N ATOM 844 CA LEU A 58 -0.719 6.334 -3.353 1.00 0.00 C ATOM 845 C LEU A 58 -0.441 6.983 -1.998 1.00 0.00 C ATOM 846 O LEU A 58 0.631 7.553 -1.781 1.00 0.00 O ATOM 847 CB LEU A 58 -1.884 7.050 -4.045 1.00 0.00 C ATOM 848 CG LEU A 58 -1.486 7.978 -5.197 1.00 0.00 C ATOM 849 CD1 LEU A 58 -2.599 8.050 -6.232 1.00 0.00 C ATOM 850 CD2 LEU A 58 -1.153 9.369 -4.673 1.00 0.00 C ATOM 0 H LEU A 58 -2.011 4.694 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 58 0.175 6.427 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.576 6.299 -4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.425 7.633 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.596 7.569 -5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.299 8.714 -7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.791 7.054 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.506 8.435 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.873 10.014 -5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.025 9.786 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.323 9.304 -3.969 1.00 0.00 H new ATOM 862 N SER A 59 -1.416 6.899 -1.092 1.00 0.00 N ATOM 863 CA SER A 59 -1.280 7.480 0.241 1.00 0.00 C ATOM 864 C SER A 59 -1.666 6.475 1.325 1.00 0.00 C ATOM 865 O SER A 59 -2.306 5.458 1.044 1.00 0.00 O ATOM 866 CB SER A 59 -2.146 8.738 0.363 1.00 0.00 C ATOM 867 OG SER A 59 -3.450 8.521 -0.155 1.00 0.00 O ATOM 0 H SER A 59 -2.308 6.434 -1.259 1.00 0.00 H new ATOM 0 HA SER A 59 -0.233 7.749 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.213 9.035 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.672 9.561 -0.172 1.00 0.00 H new ATOM 0 HG SER A 59 -3.979 9.340 -0.062 1.00 0.00 H new ATOM 873 N VAL A 60 -1.272 6.769 2.565 1.00 0.00 N ATOM 874 CA VAL A 60 -1.574 5.895 3.695 1.00 0.00 C ATOM 875 C VAL A 60 -1.958 6.705 4.929 1.00 0.00 C ATOM 876 O VAL A 60 -1.141 7.449 5.476 1.00 0.00 O ATOM 877 CB VAL A 60 -0.379 4.984 4.043 1.00 0.00 C ATOM 878 CG1 VAL A 60 -0.772 3.969 5.109 1.00 0.00 C ATOM 879 CG2 VAL A 60 0.137 4.287 2.791 1.00 0.00 C ATOM 0 H VAL A 60 -0.743 7.606 2.810 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.417 5.273 3.394 1.00 0.00 H new ATOM 0 HB VAL A 60 0.424 5.601 4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.084 3.335 5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.091 4.493 6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.591 3.352 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.980 3.648 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.658 3.680 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.459 5.034 2.065 1.00 0.00 H new ATOM 889 N ASP A 61 -3.212 6.553 5.359 1.00 0.00 N ATOM 890 CA ASP A 61 -3.729 7.264 6.528 1.00 0.00 C ATOM 891 C ASP A 61 -3.641 8.783 6.346 1.00 0.00 C ATOM 892 O ASP A 61 -3.594 9.532 7.324 1.00 0.00 O ATOM 893 CB ASP A 61 -2.965 6.838 7.789 1.00 0.00 C ATOM 894 CG ASP A 61 -3.889 6.477 8.937 1.00 0.00 C ATOM 895 OD1 ASP A 61 -4.849 7.235 9.192 1.00 0.00 O ATOM 896 OD2 ASP A 61 -3.651 5.434 9.582 1.00 0.00 O ATOM 0 H ASP A 61 -3.892 5.939 4.911 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.781 7.001 6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.332 5.982 7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.304 7.647 8.100 1.00 0.00 H new ATOM 901 N GLY A 62 -3.617 9.234 5.091 1.00 0.00 N ATOM 902 CA GLY A 62 -3.529 10.657 4.814 1.00 0.00 C ATOM 903 C GLY A 62 -2.094 11.158 4.790 1.00 0.00 C ATOM 904 O GLY A 62 -1.832 12.322 5.096 1.00 0.00 O ATOM 0 H GLY A 62 -3.657 8.638 4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.000 10.867 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.090 11.206 5.570 1.00 0.00 H new ATOM 908 N ARG A 63 -1.163 10.276 4.423 1.00 0.00 N ATOM 909 CA ARG A 63 0.252 10.631 4.355 1.00 0.00 C ATOM 910 C ARG A 63 0.810 10.351 2.964 1.00 0.00 C ATOM 911 O ARG A 63 0.234 9.575 2.199 1.00 0.00 O ATOM 912 CB ARG A 63 1.053 9.851 5.401 1.00 0.00 C ATOM 913 CG ARG A 63 1.441 10.681 6.616 1.00 0.00 C ATOM 914 CD ARG A 63 1.525 9.827 7.873 1.00 0.00 C ATOM 915 NE ARG A 63 0.922 10.488 9.031 1.00 0.00 N ATOM 916 CZ ARG A 63 -0.388 10.709 9.168 1.00 0.00 C ATOM 917 NH1 ARG A 63 -1.237 10.344 8.211 1.00 0.00 N ATOM 918 NH2 ARG A 63 -0.849 11.301 10.266 1.00 0.00 N ATOM 0 H ARG A 63 -1.366 9.309 4.168 1.00 0.00 H new ATOM 0 HA ARG A 63 0.343 11.697 4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.466 8.993 5.730 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.957 9.459 4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.403 11.162 6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.710 11.476 6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.023 8.875 7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.570 9.602 8.088 1.00 0.00 H new ATOM 0 HE ARG A 63 1.541 10.799 9.780 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.889 9.892 7.365 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.236 10.516 8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.202 11.585 11.002 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.849 11.471 10.372 1.00 0.00 H new ATOM 932 N SER A 64 1.938 10.984 2.647 1.00 0.00 N ATOM 933 CA SER A 64 2.581 10.804 1.348 1.00 0.00 C ATOM 934 C SER A 64 3.776 9.861 1.457 1.00 0.00 C ATOM 935 O SER A 64 4.772 10.179 2.109 1.00 0.00 O ATOM 936 CB SER A 64 3.036 12.155 0.784 1.00 0.00 C ATOM 937 OG SER A 64 2.048 13.152 0.978 1.00 0.00 O ATOM 0 H SER A 64 2.425 11.626 3.272 1.00 0.00 H new ATOM 0 HA SER A 64 1.850 10.362 0.671 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.964 12.460 1.268 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.250 12.054 -0.280 1.00 0.00 H new ATOM 0 HG SER A 64 2.366 14.003 0.610 1.00 0.00 H new ATOM 943 N LEU A 65 3.673 8.702 0.809 1.00 0.00 N ATOM 944 CA LEU A 65 4.751 7.716 0.826 1.00 0.00 C ATOM 945 C LEU A 65 5.347 7.531 -0.570 1.00 0.00 C ATOM 946 O LEU A 65 5.802 6.440 -0.920 1.00 0.00 O ATOM 947 CB LEU A 65 4.243 6.373 1.359 1.00 0.00 C ATOM 948 CG LEU A 65 3.571 6.424 2.733 1.00 0.00 C ATOM 949 CD1 LEU A 65 3.218 5.022 3.202 1.00 0.00 C ATOM 950 CD2 LEU A 65 4.470 7.116 3.747 1.00 0.00 C ATOM 0 H LEU A 65 2.855 8.423 0.267 1.00 0.00 H new ATOM 0 HA LEU A 65 5.533 8.087 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.533 5.962 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.083 5.680 1.410 1.00 0.00 H new ATOM 0 HG LEU A 65 2.651 7.002 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.741 5.075 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.534 4.561 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.126 4.423 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.973 7.141 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.408 6.569 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.674 8.135 3.417 1.00 0.00 H new ATOM 962 N VAL A 66 5.346 8.604 -1.362 1.00 0.00 N ATOM 963 CA VAL A 66 5.889 8.560 -2.712 1.00 0.00 C ATOM 964 C VAL A 66 7.121 9.448 -2.825 1.00 0.00 C ATOM 965 O VAL A 66 7.017 10.670 -2.944 1.00 0.00 O ATOM 966 CB VAL A 66 4.834 8.982 -3.755 1.00 0.00 C ATOM 967 CG1 VAL A 66 5.459 9.131 -5.135 1.00 0.00 C ATOM 968 CG2 VAL A 66 3.701 7.969 -3.783 1.00 0.00 C ATOM 0 H VAL A 66 4.974 9.513 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 66 6.177 7.529 -2.918 1.00 0.00 H new ATOM 0 HB VAL A 66 4.431 9.953 -3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.693 9.429 -5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.239 9.891 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.893 8.179 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.959 8.273 -4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.096 6.988 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.234 7.918 -2.799 1.00 0.00 H new ATOM 978 N GLY A 67 8.287 8.813 -2.780 1.00 0.00 N ATOM 979 CA GLY A 67 9.542 9.540 -2.871 1.00 0.00 C ATOM 980 C GLY A 67 10.637 8.923 -2.021 1.00 0.00 C ATOM 981 O GLY A 67 11.805 8.925 -2.408 1.00 0.00 O ATOM 0 H GLY A 67 8.387 7.803 -2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.867 9.568 -3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.383 10.572 -2.559 1.00 0.00 H new ATOM 985 N LEU A 68 10.257 8.387 -0.862 1.00 0.00 N ATOM 986 CA LEU A 68 11.213 7.754 0.044 1.00 0.00 C ATOM 987 C LEU A 68 11.405 6.287 -0.324 1.00 0.00 C ATOM 988 O LEU A 68 10.643 5.731 -1.120 1.00 0.00 O ATOM 989 CB LEU A 68 10.738 7.858 1.500 1.00 0.00 C ATOM 990 CG LEU A 68 9.977 9.137 1.861 1.00 0.00 C ATOM 991 CD1 LEU A 68 8.953 8.856 2.951 1.00 0.00 C ATOM 992 CD2 LEU A 68 10.942 10.228 2.299 1.00 0.00 C ATOM 0 H LEU A 68 9.293 8.379 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 68 12.164 8.278 -0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.097 7.003 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 68 11.607 7.778 2.153 1.00 0.00 H new ATOM 0 HG LEU A 68 9.448 9.486 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.421 9.775 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.242 8.108 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.461 8.483 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.383 11.129 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.500 9.891 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.636 10.447 1.487 1.00 0.00 H new ATOM 1004 N SER A 69 12.416 5.658 0.268 1.00 0.00 N ATOM 1005 CA SER A 69 12.692 4.250 0.011 1.00 0.00 C ATOM 1006 C SER A 69 11.537 3.387 0.512 1.00 0.00 C ATOM 1007 O SER A 69 10.773 3.808 1.385 1.00 0.00 O ATOM 1008 CB SER A 69 13.998 3.826 0.691 1.00 0.00 C ATOM 1009 OG SER A 69 14.289 2.460 0.441 1.00 0.00 O ATOM 0 H SER A 69 13.056 6.101 0.927 1.00 0.00 H new ATOM 0 HA SER A 69 12.798 4.110 -1.065 1.00 0.00 H new ATOM 0 HB2 SER A 69 14.817 4.447 0.329 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.922 3.993 1.765 1.00 0.00 H new ATOM 0 HG SER A 69 15.128 2.218 0.885 1.00 0.00 H new ATOM 1015 N GLN A 70 11.412 2.181 -0.037 1.00 0.00 N ATOM 1016 CA GLN A 70 10.347 1.265 0.367 1.00 0.00 C ATOM 1017 C GLN A 70 10.329 1.084 1.885 1.00 0.00 C ATOM 1018 O GLN A 70 9.271 0.870 2.476 1.00 0.00 O ATOM 1019 CB GLN A 70 10.514 -0.092 -0.323 1.00 0.00 C ATOM 1020 CG GLN A 70 9.403 -1.083 -0.005 1.00 0.00 C ATOM 1021 CD GLN A 70 8.018 -0.521 -0.260 1.00 0.00 C ATOM 1022 OE1 GLN A 70 7.322 -0.107 0.667 1.00 0.00 O ATOM 1023 NE2 GLN A 70 7.608 -0.507 -1.522 1.00 0.00 N ATOM 0 H GLN A 70 12.032 1.816 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 70 9.396 1.700 0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.554 0.062 -1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.470 -0.525 -0.027 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.541 -1.981 -0.607 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.480 -1.384 1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.217 -0.860 -2.260 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.684 -0.143 -1.754 1.00 0.00 H new ATOM 1032 N GLU A 71 11.504 1.178 2.510 1.00 0.00 N ATOM 1033 CA GLU A 71 11.615 1.032 3.957 1.00 0.00 C ATOM 1034 C GLU A 71 10.711 2.031 4.678 1.00 0.00 C ATOM 1035 O GLU A 71 9.914 1.648 5.532 1.00 0.00 O ATOM 1036 CB GLU A 71 13.064 1.229 4.405 1.00 0.00 C ATOM 1037 CG GLU A 71 13.414 0.470 5.676 1.00 0.00 C ATOM 1038 CD GLU A 71 14.597 -0.461 5.496 1.00 0.00 C ATOM 1039 OE1 GLU A 71 14.543 -1.326 4.595 1.00 0.00 O ATOM 1040 OE2 GLU A 71 15.579 -0.326 6.256 1.00 0.00 O ATOM 0 H GLU A 71 12.389 1.354 2.035 1.00 0.00 H new ATOM 0 HA GLU A 71 11.295 0.023 4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.730 0.908 3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.246 2.292 4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.636 1.183 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.548 -0.108 5.999 1.00 0.00 H new ATOM 1047 N ARG A 72 10.834 3.313 4.326 1.00 0.00 N ATOM 1048 CA ARG A 72 10.020 4.358 4.945 1.00 0.00 C ATOM 1049 C ARG A 72 8.531 4.101 4.717 1.00 0.00 C ATOM 1050 O ARG A 72 7.723 4.256 5.631 1.00 0.00 O ATOM 1051 CB ARG A 72 10.393 5.740 4.396 1.00 0.00 C ATOM 1052 CG ARG A 72 11.854 6.113 4.600 1.00 0.00 C ATOM 1053 CD ARG A 72 12.199 6.243 6.077 1.00 0.00 C ATOM 1054 NE ARG A 72 12.699 7.578 6.412 1.00 0.00 N ATOM 1055 CZ ARG A 72 12.749 8.067 7.653 1.00 0.00 C ATOM 1056 NH1 ARG A 72 12.337 7.335 8.684 1.00 0.00 N ATOM 1057 NH2 ARG A 72 13.216 9.292 7.866 1.00 0.00 N ATOM 0 H ARG A 72 11.487 3.650 3.619 1.00 0.00 H new ATOM 0 HA ARG A 72 10.221 4.337 6.016 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.166 5.769 3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.766 6.492 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.491 5.356 4.143 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.064 7.055 4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.314 6.027 6.676 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.951 5.499 6.340 1.00 0.00 H new ATOM 0 HE ARG A 72 13.029 8.171 5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.979 6.392 8.530 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.379 7.716 9.629 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.536 9.859 7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.254 9.666 8.814 1.00 0.00 H new ATOM 1071 N ALA A 73 8.178 3.712 3.491 1.00 0.00 N ATOM 1072 CA ALA A 73 6.784 3.440 3.143 1.00 0.00 C ATOM 1073 C ALA A 73 6.251 2.205 3.870 1.00 0.00 C ATOM 1074 O ALA A 73 5.302 2.304 4.649 1.00 0.00 O ATOM 1075 CB ALA A 73 6.636 3.276 1.639 1.00 0.00 C ATOM 0 H ALA A 73 8.837 3.579 2.724 1.00 0.00 H new ATOM 0 HA ALA A 73 6.190 4.295 3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.593 3.074 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.954 4.191 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.255 2.445 1.301 1.00 0.00 H new ATOM 1081 N ALA A 74 6.864 1.045 3.614 1.00 0.00 N ATOM 1082 CA ALA A 74 6.441 -0.203 4.252 1.00 0.00 C ATOM 1083 C ALA A 74 6.454 -0.082 5.777 1.00 0.00 C ATOM 1084 O ALA A 74 5.598 -0.648 6.459 1.00 0.00 O ATOM 1085 CB ALA A 74 7.332 -1.355 3.811 1.00 0.00 C ATOM 0 H ALA A 74 7.651 0.945 2.973 1.00 0.00 H new ATOM 0 HA ALA A 74 5.417 -0.405 3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.003 -2.275 4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.268 -1.471 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.364 -1.145 4.093 1.00 0.00 H new ATOM 1091 N GLU A 75 7.428 0.656 6.308 1.00 0.00 N ATOM 1092 CA GLU A 75 7.543 0.844 7.752 1.00 0.00 C ATOM 1093 C GLU A 75 6.483 1.816 8.275 1.00 0.00 C ATOM 1094 O GLU A 75 5.985 1.656 9.388 1.00 0.00 O ATOM 1095 CB GLU A 75 8.940 1.350 8.112 1.00 0.00 C ATOM 1096 CG GLU A 75 9.201 1.397 9.606 1.00 0.00 C ATOM 1097 CD GLU A 75 9.985 0.199 10.104 1.00 0.00 C ATOM 1098 OE1 GLU A 75 9.443 -0.925 10.063 1.00 0.00 O ATOM 1099 OE2 GLU A 75 11.140 0.387 10.541 1.00 0.00 O ATOM 0 H GLU A 75 8.146 1.132 5.762 1.00 0.00 H new ATOM 0 HA GLU A 75 7.379 -0.123 8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.683 0.706 7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.074 2.349 7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.748 2.309 9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.249 1.448 10.135 1.00 0.00 H new ATOM 1106 N LEU A 76 6.140 2.824 7.472 1.00 0.00 N ATOM 1107 CA LEU A 76 5.137 3.808 7.874 1.00 0.00 C ATOM 1108 C LEU A 76 3.744 3.177 7.934 1.00 0.00 C ATOM 1109 O LEU A 76 2.992 3.413 8.879 1.00 0.00 O ATOM 1110 CB LEU A 76 5.131 4.999 6.910 1.00 0.00 C ATOM 1111 CG LEU A 76 6.010 6.181 7.333 1.00 0.00 C ATOM 1112 CD1 LEU A 76 6.462 6.978 6.117 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.265 7.077 8.314 1.00 0.00 C ATOM 0 H LEU A 76 6.539 2.979 6.546 1.00 0.00 H new ATOM 0 HA LEU A 76 5.399 4.163 8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.459 4.655 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.105 5.351 6.798 1.00 0.00 H new ATOM 0 HG LEU A 76 6.896 5.787 7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.085 7.812 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.036 6.333 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.589 7.360 5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.905 7.911 8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.360 7.460 7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.996 6.502 9.200 1.00 0.00 H new ATOM 1125 N MET A 77 3.407 2.378 6.922 1.00 0.00 N ATOM 1126 CA MET A 77 2.103 1.717 6.862 1.00 0.00 C ATOM 1127 C MET A 77 1.880 0.806 8.066 1.00 0.00 C ATOM 1128 O MET A 77 0.862 0.913 8.748 1.00 0.00 O ATOM 1129 CB MET A 77 1.976 0.907 5.572 1.00 0.00 C ATOM 1130 CG MET A 77 1.502 1.721 4.382 1.00 0.00 C ATOM 1131 SD MET A 77 1.884 0.935 2.805 1.00 0.00 S ATOM 1132 CE MET A 77 1.153 -0.683 3.045 1.00 0.00 C ATOM 0 H MET A 77 4.019 2.173 6.132 1.00 0.00 H new ATOM 0 HA MET A 77 1.340 2.495 6.878 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.943 0.464 5.335 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.281 0.084 5.738 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.425 1.872 4.456 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.966 2.707 4.414 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.752 -1.433 2.529 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.121 -0.914 4.110 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.140 -0.688 2.642 1.00 0.00 H new ATOM 1142 N THR A 78 2.832 -0.090 8.324 1.00 0.00 N ATOM 1143 CA THR A 78 2.722 -1.010 9.456 1.00 0.00 C ATOM 1144 C THR A 78 2.687 -0.242 10.777 1.00 0.00 C ATOM 1145 O THR A 78 1.977 -0.626 11.709 1.00 0.00 O ATOM 1146 CB THR A 78 3.883 -2.015 9.456 1.00 0.00 C ATOM 1147 OG1 THR A 78 3.865 -2.810 10.629 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.253 -1.370 9.363 1.00 0.00 C ATOM 0 H THR A 78 3.681 -0.198 7.770 1.00 0.00 H new ATOM 0 HA THR A 78 1.788 -1.561 9.351 1.00 0.00 H new ATOM 0 HB THR A 78 3.726 -2.620 8.563 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.612 -3.444 10.606 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.021 -2.144 9.369 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.323 -0.796 8.439 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.401 -0.706 10.215 1.00 0.00 H new ATOM 1156 N ARG A 79 3.455 0.845 10.849 1.00 0.00 N ATOM 1157 CA ARG A 79 3.513 1.667 12.057 1.00 0.00 C ATOM 1158 C ARG A 79 2.421 2.744 12.061 1.00 0.00 C ATOM 1159 O ARG A 79 2.708 3.931 12.231 1.00 0.00 O ATOM 1160 CB ARG A 79 4.893 2.320 12.189 1.00 0.00 C ATOM 1161 CG ARG A 79 6.015 1.331 12.464 1.00 0.00 C ATOM 1162 CD ARG A 79 7.275 2.033 12.948 1.00 0.00 C ATOM 1163 NE ARG A 79 7.840 2.922 11.932 1.00 0.00 N ATOM 1164 CZ ARG A 79 9.057 3.466 12.011 1.00 0.00 C ATOM 1165 NH1 ARG A 79 9.844 3.210 13.052 1.00 0.00 N ATOM 1166 NH2 ARG A 79 9.490 4.265 11.044 1.00 0.00 N ATOM 0 H ARG A 79 4.045 1.176 10.086 1.00 0.00 H new ATOM 0 HA ARG A 79 3.341 1.012 12.911 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.117 2.864 11.271 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.862 3.054 12.994 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.689 0.610 13.213 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.237 0.770 11.556 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.046 2.609 13.845 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.019 1.287 13.229 1.00 0.00 H new ATOM 0 HE ARG A 79 7.270 3.139 11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.519 2.594 13.798 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.772 3.629 13.105 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.893 4.463 10.241 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.419 4.681 11.104 1.00 0.00 H new ATOM 1180 N THR A 80 1.167 2.322 11.883 1.00 0.00 N ATOM 1181 CA THR A 80 0.034 3.249 11.876 1.00 0.00 C ATOM 1182 C THR A 80 -0.813 3.088 13.137 1.00 0.00 C ATOM 1183 O THR A 80 -0.558 2.207 13.960 1.00 0.00 O ATOM 1184 CB THR A 80 -0.838 3.019 10.639 1.00 0.00 C ATOM 1185 OG1 THR A 80 -1.056 1.633 10.428 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.242 3.598 9.375 1.00 0.00 C ATOM 0 H THR A 80 0.911 1.345 11.742 1.00 0.00 H new ATOM 0 HA THR A 80 0.433 4.263 11.851 1.00 0.00 H new ATOM 0 HB THR A 80 -1.777 3.534 10.843 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.587 1.348 9.616 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.908 3.401 8.535 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.115 4.674 9.493 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.727 3.137 9.185 1.00 0.00 H new ATOM 1194 N SER A 81 -1.833 3.938 13.279 1.00 0.00 N ATOM 1195 CA SER A 81 -2.726 3.879 14.435 1.00 0.00 C ATOM 1196 C SER A 81 -3.662 2.673 14.326 1.00 0.00 C ATOM 1197 O SER A 81 -3.530 1.857 13.409 1.00 0.00 O ATOM 1198 CB SER A 81 -3.540 5.178 14.552 1.00 0.00 C ATOM 1199 OG SER A 81 -3.594 5.868 13.313 1.00 0.00 O ATOM 0 H SER A 81 -2.059 4.673 12.609 1.00 0.00 H new ATOM 0 HA SER A 81 -2.120 3.768 15.334 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.551 4.947 14.886 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.094 5.822 15.310 1.00 0.00 H new ATOM 0 HG SER A 81 -4.119 6.689 13.418 1.00 0.00 H new ATOM 1205 N SER A 82 -4.607 2.561 15.260 1.00 0.00 N ATOM 1206 CA SER A 82 -5.563 1.450 15.259 1.00 0.00 C ATOM 1207 C SER A 82 -6.252 1.316 13.898 1.00 0.00 C ATOM 1208 O SER A 82 -6.559 0.207 13.456 1.00 0.00 O ATOM 1209 CB SER A 82 -6.611 1.644 16.359 1.00 0.00 C ATOM 1210 OG SER A 82 -6.141 1.157 17.604 1.00 0.00 O ATOM 0 H SER A 82 -4.732 3.223 16.026 1.00 0.00 H new ATOM 0 HA SER A 82 -5.008 0.532 15.455 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.857 2.702 16.448 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.530 1.125 16.086 1.00 0.00 H new ATOM 0 HG SER A 82 -6.828 1.294 18.289 1.00 0.00 H new ATOM 1216 N VAL A 83 -6.486 2.451 13.237 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.130 2.460 11.926 1.00 0.00 C ATOM 1218 C VAL A 83 -6.124 2.799 10.826 1.00 0.00 C ATOM 1219 O VAL A 83 -5.141 3.501 11.069 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.297 3.471 11.876 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.082 3.323 10.580 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.213 3.298 13.080 1.00 0.00 C ATOM 0 H VAL A 83 -6.238 3.375 13.590 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.526 1.458 11.758 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.877 4.476 11.909 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.899 4.044 10.565 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.422 3.505 9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.488 2.314 10.514 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.028 4.020 13.024 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.623 2.288 13.083 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.645 3.462 13.996 1.00 0.00 H new ATOM 1232 N VAL A 84 -6.376 2.291 9.617 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.493 2.538 8.478 1.00 0.00 C ATOM 1234 C VAL A 84 -6.295 2.833 7.212 1.00 0.00 C ATOM 1235 O VAL A 84 -7.060 1.987 6.742 1.00 0.00 O ATOM 1236 CB VAL A 84 -4.556 1.340 8.205 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -3.431 1.746 7.261 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.992 0.784 9.506 1.00 0.00 C ATOM 0 H VAL A 84 -7.184 1.707 9.403 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.889 3.407 8.740 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.140 0.553 7.727 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.781 0.890 7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.854 2.087 6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.852 2.552 7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.336 -0.058 9.287 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.426 1.562 10.019 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.810 0.450 10.144 1.00 0.00 H new ATOM 1248 N THR A 85 -6.110 4.032 6.663 1.00 0.00 N ATOM 1249 CA THR A 85 -6.812 4.437 5.447 1.00 0.00 C ATOM 1250 C THR A 85 -5.876 4.397 4.240 1.00 0.00 C ATOM 1251 O THR A 85 -5.153 5.357 3.969 1.00 0.00 O ATOM 1252 CB THR A 85 -7.400 5.843 5.614 1.00 0.00 C ATOM 1253 OG1 THR A 85 -8.151 5.935 6.813 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.306 6.252 4.470 1.00 0.00 C ATOM 0 H THR A 85 -5.480 4.740 7.041 1.00 0.00 H new ATOM 0 HA THR A 85 -7.626 3.733 5.274 1.00 0.00 H new ATOM 0 HB THR A 85 -6.542 6.515 5.635 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.516 6.840 6.902 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.689 7.257 4.650 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.742 6.240 3.537 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.140 5.554 4.399 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.890 3.275 3.521 1.00 0.00 N ATOM 1263 CA LEU A 86 -5.039 3.102 2.343 1.00 0.00 C ATOM 1264 C LEU A 86 -5.813 3.366 1.052 1.00 0.00 C ATOM 1265 O LEU A 86 -6.958 2.939 0.906 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.462 1.686 2.312 1.00 0.00 C ATOM 1267 CG LEU A 86 -3.573 1.315 3.503 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -4.335 0.430 4.479 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -2.305 0.621 3.024 1.00 0.00 C ATOM 0 H LEU A 86 -6.481 2.472 3.733 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.228 3.827 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.288 0.976 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.883 1.567 1.396 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.287 2.230 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.689 0.175 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.213 0.963 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.649 -0.483 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.684 0.364 3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.570 -0.287 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.752 1.289 2.363 1.00 0.00 H new ATOM 1281 N GLU A 87 -5.172 4.060 0.111 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.792 4.371 -1.175 1.00 0.00 C ATOM 1283 C GLU A 87 -5.052 3.672 -2.315 1.00 0.00 C ATOM 1284 O GLU A 87 -4.003 4.139 -2.766 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.807 5.884 -1.406 1.00 0.00 C ATOM 1286 CG GLU A 87 -6.850 6.342 -2.416 1.00 0.00 C ATOM 1287 CD GLU A 87 -6.835 7.843 -2.654 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -6.162 8.567 -1.888 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -7.501 8.294 -3.609 1.00 0.00 O ATOM 0 H GLU A 87 -4.222 4.417 0.217 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.819 4.007 -1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.991 6.385 -0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.821 6.200 -1.748 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.680 5.829 -3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.839 6.046 -2.067 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.602 2.546 -2.775 1.00 0.00 N ATOM 1297 CA VAL A 88 -4.988 1.782 -3.861 1.00 0.00 C ATOM 1298 C VAL A 88 -5.695 2.023 -5.192 1.00 0.00 C ATOM 1299 O VAL A 88 -6.732 2.688 -5.250 1.00 0.00 O ATOM 1300 CB VAL A 88 -4.980 0.264 -3.569 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -3.957 -0.069 -2.495 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -6.365 -0.221 -3.168 1.00 0.00 C ATOM 0 H VAL A 88 -6.468 2.145 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.959 2.136 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.696 -0.256 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.967 -1.142 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.965 0.231 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.205 0.465 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.332 -1.292 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.689 0.306 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.068 -0.025 -3.978 1.00 0.00 H new ATOM 1312 N ALA A 89 -5.123 1.466 -6.261 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.684 1.605 -7.602 1.00 0.00 C ATOM 1314 C ALA A 89 -5.921 0.241 -8.243 1.00 0.00 C ATOM 1315 O ALA A 89 -4.995 -0.563 -8.371 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.767 2.447 -8.479 1.00 0.00 C ATOM 0 H ALA A 89 -4.267 0.912 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.646 2.110 -7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.201 2.540 -9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.652 3.438 -8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.791 1.967 -8.552 1.00 0.00 H new ATOM 1322 N LYS A 90 -7.166 -0.011 -8.647 1.00 0.00 N ATOM 1323 CA LYS A 90 -7.533 -1.277 -9.279 1.00 0.00 C ATOM 1324 C LYS A 90 -7.121 -1.283 -10.749 1.00 0.00 C ATOM 1325 O LYS A 90 -7.837 -0.766 -11.609 1.00 0.00 O ATOM 1326 CB LYS A 90 -9.041 -1.524 -9.146 1.00 0.00 C ATOM 1327 CG LYS A 90 -9.452 -2.094 -7.796 1.00 0.00 C ATOM 1328 CD LYS A 90 -9.152 -1.121 -6.667 1.00 0.00 C ATOM 1329 CE LYS A 90 -9.577 -1.679 -5.319 1.00 0.00 C ATOM 1330 NZ LYS A 90 -11.024 -2.032 -5.293 1.00 0.00 N ATOM 0 H LYS A 90 -7.939 0.647 -8.547 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.003 -2.082 -8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.570 -0.585 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.358 -2.210 -9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.517 -2.324 -7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.925 -3.032 -7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.085 -0.901 -6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.669 -0.179 -6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.984 -2.564 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.369 -0.945 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.440 -1.727 -4.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.512 -1.554 -6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.132 -3.061 -5.394 1.00 0.00 H new ATOM 1344 N GLN A 91 -5.955 -1.866 -11.024 1.00 0.00 N ATOM 1345 CA GLN A 91 -5.427 -1.941 -12.383 1.00 0.00 C ATOM 1346 C GLN A 91 -4.883 -3.341 -12.682 1.00 0.00 C ATOM 1347 O GLN A 91 -5.022 -4.257 -11.869 1.00 0.00 O ATOM 1348 CB GLN A 91 -4.329 -0.885 -12.579 1.00 0.00 C ATOM 1349 CG GLN A 91 -2.968 -1.291 -12.029 1.00 0.00 C ATOM 1350 CD GLN A 91 -2.907 -1.239 -10.514 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -2.755 -0.170 -9.924 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -3.033 -2.397 -9.876 1.00 0.00 N ATOM 0 H GLN A 91 -5.356 -2.295 -10.319 1.00 0.00 H new ATOM 0 HA GLN A 91 -6.240 -1.740 -13.081 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.230 -0.673 -13.644 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.641 0.042 -12.097 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.733 -2.302 -12.363 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.203 -0.633 -12.442 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.157 -3.260 -10.405 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.005 -2.423 -8.857 1.00 0.00 H new ATOM 1361 N GLY A 92 -4.260 -3.494 -13.851 1.00 0.00 N ATOM 1362 CA GLY A 92 -3.700 -4.777 -14.235 1.00 0.00 C ATOM 1363 C GLY A 92 -4.056 -5.164 -15.655 1.00 0.00 C ATOM 1364 O GLY A 92 -5.182 -4.940 -16.104 1.00 0.00 O ATOM 0 H GLY A 92 -4.134 -2.750 -14.538 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.615 -4.742 -14.133 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.060 -5.546 -13.551 1.00 0.00 H new ATOM 1368 N ALA A 93 -3.088 -5.748 -16.361 1.00 0.00 N ATOM 1369 CA ALA A 93 -3.284 -6.174 -17.746 1.00 0.00 C ATOM 1370 C ALA A 93 -3.575 -4.982 -18.665 1.00 0.00 C ATOM 1371 O ALA A 93 -4.175 -5.192 -19.741 1.00 0.00 O ATOM 1372 CB ALA A 93 -4.400 -7.208 -17.825 1.00 0.00 C ATOM 1373 OXT ALA A 93 -3.191 -3.847 -18.305 1.00 0.00 O ATOM 0 H ALA A 93 -2.155 -5.938 -15.994 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.358 -6.632 -18.093 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.537 -7.517 -18.861 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.136 -8.075 -17.219 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -5.327 -6.772 -17.451 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 15.121 -1.871 -2.017 1.00 0.00 N ATOM 1381 CA LEU B 99 14.737 -3.256 -1.631 1.00 0.00 C ATOM 1382 C LEU B 99 13.218 -3.420 -1.629 1.00 0.00 C ATOM 1383 O LEU B 99 12.495 -2.569 -1.109 1.00 0.00 O ATOM 1384 CB LEU B 99 15.314 -3.562 -0.240 1.00 0.00 C ATOM 1385 CG LEU B 99 16.625 -4.358 -0.234 1.00 0.00 C ATOM 1386 CD1 LEU B 99 16.390 -5.779 -0.725 1.00 0.00 C ATOM 1387 CD2 LEU B 99 17.681 -3.665 -1.084 1.00 0.00 C ATOM 0 HA LEU B 99 15.143 -3.958 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU B 99 15.478 -2.619 0.282 1.00 0.00 H new ATOM 0 HB3 LEU B 99 14.569 -4.117 0.330 1.00 0.00 H new ATOM 0 HG LEU B 99 16.991 -4.405 0.792 1.00 0.00 H new ATOM 0 HD11 LEU B 99 17.331 -6.328 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU B 99 15.672 -6.276 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU B 99 15.998 -5.752 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU B 99 18.602 -4.247 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU B 99 17.325 -3.582 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU B 99 17.873 -2.669 -0.685 1.00 0.00 H new ATOM 1401 N PHE B 100 12.741 -4.516 -2.218 1.00 0.00 N ATOM 1402 CA PHE B 100 11.306 -4.790 -2.288 1.00 0.00 C ATOM 1403 C PHE B 100 10.942 -6.010 -1.444 1.00 0.00 C ATOM 1404 O PHE B 100 11.814 -6.790 -1.056 1.00 0.00 O ATOM 1405 CB PHE B 100 10.871 -5.011 -3.743 1.00 0.00 C ATOM 1406 CG PHE B 100 11.689 -6.043 -4.470 1.00 0.00 C ATOM 1407 CD1 PHE B 100 11.387 -7.391 -4.358 1.00 0.00 C ATOM 1408 CD2 PHE B 100 12.765 -5.664 -5.257 1.00 0.00 C ATOM 1409 CE1 PHE B 100 12.139 -8.341 -5.023 1.00 0.00 C ATOM 1410 CE2 PHE B 100 13.521 -6.610 -5.922 1.00 0.00 C ATOM 1411 CZ PHE B 100 13.209 -7.950 -5.803 1.00 0.00 C ATOM 0 H PHE B 100 13.327 -5.228 -2.653 1.00 0.00 H new ATOM 0 HA PHE B 100 10.779 -3.923 -1.889 1.00 0.00 H new ATOM 0 HB2 PHE B 100 9.824 -5.314 -3.758 1.00 0.00 H new ATOM 0 HB3 PHE B 100 10.936 -4.065 -4.280 1.00 0.00 H new ATOM 0 HD1 PHE B 100 10.555 -7.703 -3.744 1.00 0.00 H new ATOM 0 HD2 PHE B 100 13.015 -4.618 -5.351 1.00 0.00 H new ATOM 0 HE1 PHE B 100 11.890 -9.388 -4.933 1.00 0.00 H new ATOM 0 HE2 PHE B 100 14.355 -6.302 -6.534 1.00 0.00 H new ATOM 0 HZ PHE B 100 13.801 -8.691 -6.319 1.00 0.00 H new ATOM 1421 N SER B 101 9.646 -6.165 -1.165 1.00 0.00 N ATOM 1422 CA SER B 101 9.151 -7.284 -0.367 1.00 0.00 C ATOM 1423 C SER B 101 9.693 -7.217 1.059 1.00 0.00 C ATOM 1424 O SER B 101 10.721 -7.819 1.372 1.00 0.00 O ATOM 1425 CB SER B 101 9.530 -8.615 -1.020 1.00 0.00 C ATOM 1426 OG SER B 101 8.694 -9.663 -0.562 1.00 0.00 O ATOM 0 H SER B 101 8.918 -5.525 -1.483 1.00 0.00 H new ATOM 0 HA SER B 101 8.064 -7.215 -0.322 1.00 0.00 H new ATOM 0 HB2 SER B 101 9.449 -8.528 -2.104 1.00 0.00 H new ATOM 0 HB3 SER B 101 10.570 -8.851 -0.796 1.00 0.00 H new ATOM 0 HG SER B 101 8.801 -9.767 0.407 1.00 0.00 H new ATOM 1432 N THR B 102 8.998 -6.473 1.918 1.00 0.00 N ATOM 1433 CA THR B 102 9.415 -6.320 3.311 1.00 0.00 C ATOM 1434 C THR B 102 8.230 -6.411 4.275 1.00 0.00 C ATOM 1435 O THR B 102 8.330 -5.998 5.432 1.00 0.00 O ATOM 1436 CB THR B 102 10.146 -4.986 3.488 1.00 0.00 C ATOM 1437 OG1 THR B 102 10.900 -4.976 4.688 1.00 0.00 O ATOM 1438 CG2 THR B 102 9.221 -3.783 3.513 1.00 0.00 C ATOM 0 H THR B 102 8.146 -5.968 1.675 1.00 0.00 H new ATOM 0 HA THR B 102 10.091 -7.141 3.552 1.00 0.00 H new ATOM 0 HB THR B 102 10.794 -4.903 2.615 1.00 0.00 H new ATOM 0 HG1 THR B 102 10.342 -5.297 5.427 1.00 0.00 H new ATOM 0 HG21 THR B 102 9.809 -2.874 3.641 1.00 0.00 H new ATOM 0 HG22 THR B 102 8.669 -3.729 2.575 1.00 0.00 H new ATOM 0 HG23 THR B 102 8.519 -3.881 4.341 1.00 0.00 H new ATOM 1446 N GLU B 103 7.115 -6.956 3.790 1.00 0.00 N ATOM 1447 CA GLU B 103 5.906 -7.109 4.595 1.00 0.00 C ATOM 1448 C GLU B 103 5.399 -5.754 5.097 1.00 0.00 C ATOM 1449 O GLU B 103 6.041 -4.721 4.888 1.00 0.00 O ATOM 1450 CB GLU B 103 6.145 -8.059 5.778 1.00 0.00 C ATOM 1451 CG GLU B 103 7.246 -9.087 5.541 1.00 0.00 C ATOM 1452 CD GLU B 103 6.923 -10.446 6.135 1.00 0.00 C ATOM 1453 OE1 GLU B 103 6.833 -10.548 7.377 1.00 0.00 O ATOM 1454 OE2 GLU B 103 6.767 -11.411 5.357 1.00 0.00 O ATOM 0 H GLU B 103 7.025 -7.301 2.834 1.00 0.00 H new ATOM 0 HA GLU B 103 5.140 -7.545 3.953 1.00 0.00 H new ATOM 0 HB2 GLU B 103 6.398 -7.468 6.658 1.00 0.00 H new ATOM 0 HB3 GLU B 103 5.216 -8.583 6.002 1.00 0.00 H new ATOM 0 HG2 GLU B 103 7.411 -9.195 4.469 1.00 0.00 H new ATOM 0 HG3 GLU B 103 8.178 -8.720 5.972 1.00 0.00 H new ATOM 1461 N VAL B 104 4.240 -5.769 5.754 1.00 0.00 N ATOM 1462 CA VAL B 104 3.633 -4.551 6.287 1.00 0.00 C ATOM 1463 C VAL B 104 2.283 -4.844 6.954 1.00 0.00 C ATOM 1464 O VAL B 104 1.565 -5.751 6.473 1.00 0.00 O ATOM 1465 CB VAL B 104 3.441 -3.487 5.184 1.00 0.00 C ATOM 1466 CG1 VAL B 104 2.350 -3.906 4.209 1.00 0.00 C ATOM 1467 CG2 VAL B 104 3.127 -2.130 5.796 1.00 0.00 C ATOM 1468 OXT VAL B 104 1.959 -4.168 7.952 1.00 0.00 O ATOM 0 H VAL B 104 3.700 -6.616 5.930 1.00 0.00 H new ATOM 0 HA VAL B 104 4.320 -4.160 7.038 1.00 0.00 H new ATOM 0 HB VAL B 104 4.375 -3.403 4.628 1.00 0.00 H new ATOM 0 HG11 VAL B 104 2.234 -3.140 3.442 1.00 0.00 H new ATOM 0 HG12 VAL B 104 2.624 -4.851 3.740 1.00 0.00 H new ATOM 0 HG13 VAL B 104 1.409 -4.027 4.746 1.00 0.00 H new ATOM 0 HG21 VAL B 104 2.995 -1.395 5.002 1.00 0.00 H new ATOM 0 HG22 VAL B 104 2.211 -2.199 6.383 1.00 0.00 H new ATOM 0 HG23 VAL B 104 3.949 -1.823 6.442 1.00 0.00 H new TER 1478 VAL B 104