USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 10 GLN : amide:sc= -9.37! C(o=-17!,f=-18!) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -7.77! C(o=-17!,f=-21!) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.249 (180deg=-1.29!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc=0.000403 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -119:sc= -0.0718 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 130:sc= -3.69! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0933 X(o=-0.093,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.225 K(o=-0.23,f=-3!) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00779 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -122:sc= 1.59 (180deg=-2.61!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.775 K(o=-0.78,f=-5.6!) USER MOD Single : A 89 ASN : amide:sc= -1.7 X(o=-1.7,f=-1.2) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.477 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.459 -18.748 -2.016 1.00 0.00 N ATOM 2 CA MET A 1 8.493 -17.763 -0.903 1.00 0.00 C ATOM 3 C MET A 1 9.567 -16.704 -1.133 1.00 0.00 C ATOM 4 O MET A 1 10.617 -16.720 -0.491 1.00 0.00 O ATOM 5 CB MET A 1 8.762 -18.513 0.403 1.00 0.00 C ATOM 6 CG MET A 1 8.825 -17.609 1.622 1.00 0.00 C ATOM 7 SD MET A 1 9.947 -18.232 2.889 1.00 0.00 S ATOM 8 CE MET A 1 9.659 -19.995 2.760 1.00 0.00 C ATOM 0 H1 MET A 1 7.719 -19.455 -1.831 1.00 0.00 H new ATOM 0 H2 MET A 1 8.253 -18.256 -2.909 1.00 0.00 H new ATOM 0 H3 MET A 1 9.382 -19.223 -2.088 1.00 0.00 H new ATOM 0 HA MET A 1 7.533 -17.249 -0.852 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.979 -19.257 0.553 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.704 -19.055 0.314 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.146 -16.613 1.315 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.826 -17.506 2.045 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.986 -20.485 3.677 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.595 -20.180 2.609 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.220 -20.395 1.915 1.00 0.00 H new ATOM 18 N LEU A 2 9.293 -15.784 -2.053 1.00 0.00 N ATOM 19 CA LEU A 2 10.236 -14.714 -2.370 1.00 0.00 C ATOM 20 C LEU A 2 9.612 -13.346 -2.114 1.00 0.00 C ATOM 21 O LEU A 2 8.398 -13.174 -2.228 1.00 0.00 O ATOM 22 CB LEU A 2 10.687 -14.822 -3.828 1.00 0.00 C ATOM 23 CG LEU A 2 10.737 -16.246 -4.385 1.00 0.00 C ATOM 24 CD1 LEU A 2 11.060 -16.228 -5.871 1.00 0.00 C ATOM 25 CD2 LEU A 2 11.759 -17.080 -3.627 1.00 0.00 C ATOM 0 H LEU A 2 8.427 -15.757 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 2 11.105 -14.821 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.012 -14.230 -4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.678 -14.377 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 2 9.755 -16.701 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.091 -17.250 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 2 10.292 -15.667 -6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 2 12.029 -15.754 -6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.781 -18.090 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.745 -16.626 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.484 -17.122 -2.573 1.00 0.00 H new ATOM 37 N THR A 3 10.449 -12.374 -1.765 1.00 0.00 N ATOM 38 CA THR A 3 9.978 -11.021 -1.491 1.00 0.00 C ATOM 39 C THR A 3 9.527 -10.324 -2.771 1.00 0.00 C ATOM 40 O THR A 3 10.342 -10.005 -3.636 1.00 0.00 O ATOM 41 CB THR A 3 11.070 -10.169 -0.815 1.00 0.00 C ATOM 42 OG1 THR A 3 11.863 -10.954 0.084 1.00 0.00 O ATOM 43 CG2 THR A 3 10.452 -9.019 -0.035 1.00 0.00 C ATOM 0 H THR A 3 11.457 -12.498 -1.665 1.00 0.00 H new ATOM 0 HA THR A 3 9.130 -11.116 -0.813 1.00 0.00 H new ATOM 0 HB THR A 3 11.706 -9.779 -1.610 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.548 -10.387 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.241 -8.431 0.434 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.881 -8.385 -0.713 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.790 -9.416 0.734 1.00 0.00 H new ATOM 51 N PRO A 4 8.214 -10.079 -2.903 1.00 0.00 N ATOM 52 CA PRO A 4 7.647 -9.416 -4.082 1.00 0.00 C ATOM 53 C PRO A 4 8.314 -8.077 -4.371 1.00 0.00 C ATOM 54 O PRO A 4 8.973 -7.499 -3.506 1.00 0.00 O ATOM 55 CB PRO A 4 6.177 -9.210 -3.705 1.00 0.00 C ATOM 56 CG PRO A 4 5.899 -10.248 -2.675 1.00 0.00 C ATOM 57 CD PRO A 4 7.182 -10.431 -1.914 1.00 0.00 C ATOM 0 HA PRO A 4 7.790 -10.006 -4.987 1.00 0.00 H new ATOM 0 HB2 PRO A 4 6.006 -8.208 -3.312 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.526 -9.328 -4.571 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.093 -9.933 -2.012 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.584 -11.183 -3.138 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.226 -9.784 -1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.297 -11.455 -1.559 1.00 0.00 H new ATOM 65 N ALA A 5 8.141 -7.592 -5.596 1.00 0.00 N ATOM 66 CA ALA A 5 8.725 -6.322 -6.008 1.00 0.00 C ATOM 67 C ALA A 5 7.698 -5.197 -5.943 1.00 0.00 C ATOM 68 O ALA A 5 7.346 -4.607 -6.963 1.00 0.00 O ATOM 69 CB ALA A 5 9.298 -6.422 -7.412 1.00 0.00 C ATOM 0 H ALA A 5 7.600 -8.061 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 5 9.533 -6.091 -5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.729 -5.462 -7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.072 -7.189 -7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.504 -6.687 -8.111 1.00 0.00 H new ATOM 75 N PHE A 6 7.222 -4.903 -4.737 1.00 0.00 N ATOM 76 CA PHE A 6 6.237 -3.850 -4.543 1.00 0.00 C ATOM 77 C PHE A 6 6.844 -2.476 -4.808 1.00 0.00 C ATOM 78 O PHE A 6 8.063 -2.307 -4.780 1.00 0.00 O ATOM 79 CB PHE A 6 5.688 -3.909 -3.119 1.00 0.00 C ATOM 80 CG PHE A 6 6.612 -3.315 -2.095 1.00 0.00 C ATOM 81 CD1 PHE A 6 6.728 -1.941 -1.960 1.00 0.00 C ATOM 82 CD2 PHE A 6 7.364 -4.133 -1.267 1.00 0.00 C ATOM 83 CE1 PHE A 6 7.578 -1.393 -1.018 1.00 0.00 C ATOM 84 CE2 PHE A 6 8.216 -3.590 -0.324 1.00 0.00 C ATOM 85 CZ PHE A 6 8.323 -2.219 -0.198 1.00 0.00 C ATOM 0 H PHE A 6 7.504 -5.380 -3.881 1.00 0.00 H new ATOM 0 HA PHE A 6 5.425 -4.007 -5.253 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.734 -3.383 -3.084 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.489 -4.948 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 6 6.148 -1.291 -2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.283 -5.206 -1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.660 -0.320 -0.923 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.798 -4.238 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.987 -1.793 0.540 1.00 0.00 H new ATOM 95 N ASP A 7 5.984 -1.497 -5.061 1.00 0.00 N ATOM 96 CA ASP A 7 6.428 -0.134 -5.327 1.00 0.00 C ATOM 97 C ASP A 7 5.389 0.870 -4.845 1.00 0.00 C ATOM 98 O ASP A 7 4.193 0.578 -4.826 1.00 0.00 O ATOM 99 CB ASP A 7 6.691 0.061 -6.821 1.00 0.00 C ATOM 100 CG ASP A 7 8.090 0.576 -7.101 1.00 0.00 C ATOM 101 OD1 ASP A 7 8.849 0.790 -6.132 1.00 0.00 O ATOM 102 OD2 ASP A 7 8.426 0.765 -8.289 1.00 0.00 O ATOM 0 H ASP A 7 4.972 -1.622 -5.088 1.00 0.00 H new ATOM 0 HA ASP A 7 7.357 0.035 -4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.546 -0.887 -7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.961 0.761 -7.227 1.00 0.00 H new ATOM 107 N LEU A 8 5.849 2.052 -4.447 1.00 0.00 N ATOM 108 CA LEU A 8 4.949 3.087 -3.957 1.00 0.00 C ATOM 109 C LEU A 8 4.992 4.329 -4.842 1.00 0.00 C ATOM 110 O LEU A 8 6.062 4.804 -5.221 1.00 0.00 O ATOM 111 CB LEU A 8 5.303 3.462 -2.515 1.00 0.00 C ATOM 112 CG LEU A 8 6.041 2.382 -1.721 1.00 0.00 C ATOM 113 CD1 LEU A 8 7.083 3.006 -0.807 1.00 0.00 C ATOM 114 CD2 LEU A 8 5.057 1.549 -0.914 1.00 0.00 C ATOM 0 H LEU A 8 6.834 2.315 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 8 3.936 2.685 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.918 4.362 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.384 3.714 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 8 6.552 1.727 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.596 2.221 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.807 3.560 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.594 3.685 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.599 0.786 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.519 2.194 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.347 1.070 -1.588 1.00 0.00 H new ATOM 126 N SER A 9 3.813 4.856 -5.148 1.00 0.00 N ATOM 127 CA SER A 9 3.683 6.055 -5.967 1.00 0.00 C ATOM 128 C SER A 9 2.593 6.942 -5.390 1.00 0.00 C ATOM 129 O SER A 9 1.525 6.456 -5.025 1.00 0.00 O ATOM 130 CB SER A 9 3.352 5.688 -7.415 1.00 0.00 C ATOM 131 OG SER A 9 2.182 4.891 -7.486 1.00 0.00 O ATOM 0 H SER A 9 2.923 4.466 -4.837 1.00 0.00 H new ATOM 0 HA SER A 9 4.631 6.592 -5.962 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.213 6.597 -8.001 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.190 5.149 -7.857 1.00 0.00 H new ATOM 0 HG SER A 9 1.992 4.672 -8.422 1.00 0.00 H new ATOM 137 N GLN A 10 2.868 8.235 -5.271 1.00 0.00 N ATOM 138 CA GLN A 10 1.896 9.149 -4.692 1.00 0.00 C ATOM 139 C GLN A 10 1.664 10.383 -5.558 1.00 0.00 C ATOM 140 O GLN A 10 2.600 10.964 -6.107 1.00 0.00 O ATOM 141 CB GLN A 10 2.365 9.582 -3.305 1.00 0.00 C ATOM 142 CG GLN A 10 3.356 10.734 -3.335 1.00 0.00 C ATOM 143 CD GLN A 10 4.474 10.512 -4.336 1.00 0.00 C ATOM 144 OE1 GLN A 10 4.998 9.405 -4.465 1.00 0.00 O ATOM 145 NE2 GLN A 10 4.843 11.566 -5.053 1.00 0.00 N ATOM 0 H GLN A 10 3.744 8.668 -5.564 1.00 0.00 H new ATOM 0 HA GLN A 10 0.948 8.615 -4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.499 9.873 -2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.824 8.731 -2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.829 11.656 -3.582 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.783 10.867 -2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.381 12.465 -4.913 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.588 11.477 -5.744 1.00 0.00 H new ATOM 154 N ASP A 11 0.400 10.782 -5.644 1.00 0.00 N ATOM 155 CA ASP A 11 -0.001 11.958 -6.404 1.00 0.00 C ATOM 156 C ASP A 11 -0.188 13.144 -5.462 1.00 0.00 C ATOM 157 O ASP A 11 -0.354 12.967 -4.255 1.00 0.00 O ATOM 158 CB ASP A 11 -1.301 11.682 -7.164 1.00 0.00 C ATOM 159 CG ASP A 11 -1.072 11.474 -8.648 1.00 0.00 C ATOM 160 OD1 ASP A 11 0.019 11.835 -9.138 1.00 0.00 O ATOM 161 OD2 ASP A 11 -1.985 10.949 -9.321 1.00 0.00 O ATOM 0 H ASP A 11 -0.375 10.299 -5.189 1.00 0.00 H new ATOM 0 HA ASP A 11 0.781 12.194 -7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.782 10.797 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.987 12.516 -7.019 1.00 0.00 H new ATOM 166 N PRO A 12 -0.158 14.372 -5.999 1.00 0.00 N ATOM 167 CA PRO A 12 -0.318 15.592 -5.197 1.00 0.00 C ATOM 168 C PRO A 12 -1.672 15.669 -4.491 1.00 0.00 C ATOM 169 O PRO A 12 -1.901 16.562 -3.675 1.00 0.00 O ATOM 170 CB PRO A 12 -0.184 16.722 -6.223 1.00 0.00 C ATOM 171 CG PRO A 12 -0.456 16.084 -7.543 1.00 0.00 C ATOM 172 CD PRO A 12 0.039 14.671 -7.425 1.00 0.00 C ATOM 0 HA PRO A 12 0.417 15.638 -4.393 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.893 17.525 -6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.813 17.162 -6.196 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.520 16.107 -7.776 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.058 16.612 -8.346 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.526 13.991 -8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.086 14.584 -7.715 1.00 0.00 H new ATOM 180 N ASP A 13 -2.561 14.725 -4.790 1.00 0.00 N ATOM 181 CA ASP A 13 -3.878 14.691 -4.162 1.00 0.00 C ATOM 182 C ASP A 13 -4.230 13.273 -3.723 1.00 0.00 C ATOM 183 O ASP A 13 -5.381 12.989 -3.390 1.00 0.00 O ATOM 184 CB ASP A 13 -4.946 15.215 -5.123 1.00 0.00 C ATOM 185 CG ASP A 13 -4.862 16.716 -5.322 1.00 0.00 C ATOM 186 OD1 ASP A 13 -4.877 17.451 -4.313 1.00 0.00 O ATOM 187 OD2 ASP A 13 -4.784 17.157 -6.489 1.00 0.00 O ATOM 0 H ASP A 13 -2.394 13.976 -5.461 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.848 15.334 -3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.839 14.717 -6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.933 14.957 -4.740 1.00 0.00 H new ATOM 192 N PHE A 14 -3.226 12.394 -3.708 1.00 0.00 N ATOM 193 CA PHE A 14 -3.427 11.003 -3.299 1.00 0.00 C ATOM 194 C PHE A 14 -2.108 10.258 -3.126 1.00 0.00 C ATOM 195 O PHE A 14 -1.040 10.753 -3.476 1.00 0.00 O ATOM 196 CB PHE A 14 -4.261 10.235 -4.333 1.00 0.00 C ATOM 197 CG PHE A 14 -5.429 10.992 -4.891 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.263 11.871 -5.949 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.698 10.819 -4.359 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.340 12.564 -6.466 1.00 0.00 C ATOM 201 CE2 PHE A 14 -7.778 11.511 -4.872 1.00 0.00 C ATOM 202 CZ PHE A 14 -7.599 12.384 -5.926 1.00 0.00 C ATOM 0 H PHE A 14 -2.268 12.620 -3.974 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.949 11.047 -2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.610 9.941 -5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.628 9.317 -3.873 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.281 12.016 -6.374 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.843 10.136 -3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.198 13.246 -7.291 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.761 11.369 -4.449 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.442 12.926 -6.328 1.00 0.00 H new ATOM 212 N LEU A 15 -2.219 9.049 -2.594 1.00 0.00 N ATOM 213 CA LEU A 15 -1.082 8.169 -2.374 1.00 0.00 C ATOM 214 C LEU A 15 -1.457 6.767 -2.825 1.00 0.00 C ATOM 215 O LEU A 15 -2.267 6.101 -2.180 1.00 0.00 O ATOM 216 CB LEU A 15 -0.684 8.152 -0.894 1.00 0.00 C ATOM 217 CG LEU A 15 0.362 7.102 -0.504 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.306 5.878 0.105 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.208 6.707 -1.706 1.00 0.00 C ATOM 0 H LEU A 15 -3.110 8.648 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.230 8.533 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.301 9.137 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.580 7.986 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 15 1.020 7.543 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.454 5.145 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.860 6.172 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.992 5.439 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.943 5.961 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.566 6.290 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.722 7.586 -2.094 1.00 0.00 H new ATOM 231 N THR A 16 -0.892 6.317 -3.938 1.00 0.00 N ATOM 232 CA THR A 16 -1.202 4.996 -4.457 1.00 0.00 C ATOM 233 C THR A 16 -0.122 3.992 -4.086 1.00 0.00 C ATOM 234 O THR A 16 1.063 4.322 -4.038 1.00 0.00 O ATOM 235 CB THR A 16 -1.356 5.024 -5.991 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.206 6.099 -6.411 1.00 0.00 O ATOM 237 CG2 THR A 16 -1.942 3.719 -6.502 1.00 0.00 C ATOM 0 H THR A 16 -0.220 6.846 -4.495 1.00 0.00 H new ATOM 0 HA THR A 16 -2.146 4.690 -4.006 1.00 0.00 H new ATOM 0 HB THR A 16 -0.358 5.168 -6.406 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.283 6.092 -7.388 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.040 3.764 -7.587 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.283 2.894 -6.232 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.923 3.561 -6.055 1.00 0.00 H new ATOM 245 N ILE A 17 -0.543 2.764 -3.829 1.00 0.00 N ATOM 246 CA ILE A 17 0.375 1.697 -3.465 1.00 0.00 C ATOM 247 C ILE A 17 0.297 0.568 -4.487 1.00 0.00 C ATOM 248 O ILE A 17 -0.730 0.391 -5.137 1.00 0.00 O ATOM 249 CB ILE A 17 0.057 1.165 -2.056 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.013 2.329 -1.058 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.083 0.123 -1.633 1.00 0.00 C ATOM 252 CD1 ILE A 17 -0.828 2.048 0.165 1.00 0.00 C ATOM 0 H ILE A 17 -1.522 2.480 -3.866 1.00 0.00 H new ATOM 0 HA ILE A 17 1.388 2.098 -3.459 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.921 0.683 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.030 2.565 -0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.378 3.213 -1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.841 -0.241 -0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.067 -0.709 -2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.076 0.573 -1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.812 2.915 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.854 1.842 -0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.425 1.183 0.693 1.00 0.00 H new ATOM 264 N ALA A 18 1.385 -0.181 -4.645 1.00 0.00 N ATOM 265 CA ALA A 18 1.411 -1.271 -5.617 1.00 0.00 C ATOM 266 C ALA A 18 1.980 -2.556 -5.024 1.00 0.00 C ATOM 267 O ALA A 18 3.166 -2.633 -4.706 1.00 0.00 O ATOM 268 CB ALA A 18 2.207 -0.870 -6.849 1.00 0.00 C ATOM 0 H ALA A 18 2.250 -0.056 -4.120 1.00 0.00 H new ATOM 0 HA ALA A 18 0.378 -1.468 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.215 -1.695 -7.561 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.747 0.004 -7.311 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.230 -0.631 -6.559 1.00 0.00 H new ATOM 274 N ILE A 19 1.124 -3.565 -4.885 1.00 0.00 N ATOM 275 CA ILE A 19 1.534 -4.852 -4.337 1.00 0.00 C ATOM 276 C ILE A 19 1.187 -5.988 -5.298 1.00 0.00 C ATOM 277 O ILE A 19 0.020 -6.196 -5.626 1.00 0.00 O ATOM 278 CB ILE A 19 0.850 -5.121 -2.984 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.904 -3.873 -2.100 1.00 0.00 C ATOM 280 CG2 ILE A 19 1.497 -6.305 -2.282 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.137 -4.016 -0.804 1.00 0.00 C ATOM 0 H ILE A 19 0.139 -3.514 -5.146 1.00 0.00 H new ATOM 0 HA ILE A 19 2.614 -4.812 -4.194 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.196 -5.366 -3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.945 -3.643 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.505 -3.026 -2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.999 -6.479 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.404 -7.193 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.552 -6.093 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.219 -3.094 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.912 -4.215 -1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.550 -4.842 -0.226 1.00 0.00 H new ATOM 293 N ARG A 20 2.201 -6.727 -5.742 1.00 0.00 N ATOM 294 CA ARG A 20 1.980 -7.842 -6.658 1.00 0.00 C ATOM 295 C ARG A 20 2.051 -9.173 -5.912 1.00 0.00 C ATOM 296 O ARG A 20 3.067 -9.495 -5.296 1.00 0.00 O ATOM 297 CB ARG A 20 3.014 -7.818 -7.787 1.00 0.00 C ATOM 298 CG ARG A 20 3.206 -6.444 -8.406 1.00 0.00 C ATOM 299 CD ARG A 20 4.677 -6.073 -8.495 1.00 0.00 C ATOM 300 NE ARG A 20 4.873 -4.629 -8.570 1.00 0.00 N ATOM 301 CZ ARG A 20 4.611 -3.906 -9.654 1.00 0.00 C ATOM 302 NH1 ARG A 20 4.142 -4.492 -10.748 1.00 0.00 N ATOM 303 NH2 ARG A 20 4.818 -2.596 -9.646 1.00 0.00 N ATOM 0 H ARG A 20 3.176 -6.575 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 20 0.985 -7.737 -7.089 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.970 -8.170 -7.400 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.707 -8.518 -8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.765 -6.428 -9.403 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.677 -5.699 -7.811 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.203 -6.466 -7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.117 -6.545 -9.373 1.00 0.00 H new ATOM 0 HE ARG A 20 5.231 -4.148 -7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.982 -5.499 -10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.942 -3.935 -11.579 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.179 -2.142 -8.807 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.616 -2.043 -10.479 1.00 0.00 H new ATOM 317 N VAL A 21 0.963 -9.937 -5.963 1.00 0.00 N ATOM 318 CA VAL A 21 0.908 -11.225 -5.278 1.00 0.00 C ATOM 319 C VAL A 21 0.159 -12.273 -6.098 1.00 0.00 C ATOM 320 O VAL A 21 -0.931 -12.015 -6.609 1.00 0.00 O ATOM 321 CB VAL A 21 0.227 -11.095 -3.905 1.00 0.00 C ATOM 322 CG1 VAL A 21 0.797 -9.915 -3.135 1.00 0.00 C ATOM 323 CG2 VAL A 21 -1.278 -10.956 -4.068 1.00 0.00 C ATOM 0 H VAL A 21 0.112 -9.689 -6.468 1.00 0.00 H new ATOM 0 HA VAL A 21 1.941 -11.548 -5.147 1.00 0.00 H new ATOM 0 HB VAL A 21 0.426 -12.002 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.303 -9.840 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.867 -10.060 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.631 -8.998 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.743 -10.865 -3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.499 -10.067 -4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.672 -11.836 -4.576 1.00 0.00 H new ATOM 333 N SER A 22 0.752 -13.459 -6.211 1.00 0.00 N ATOM 334 CA SER A 22 0.147 -14.556 -6.956 1.00 0.00 C ATOM 335 C SER A 22 -0.095 -15.757 -6.044 1.00 0.00 C ATOM 336 O SER A 22 -1.054 -16.508 -6.226 1.00 0.00 O ATOM 337 CB SER A 22 1.051 -14.959 -8.122 1.00 0.00 C ATOM 338 OG SER A 22 2.354 -14.424 -7.968 1.00 0.00 O ATOM 0 H SER A 22 1.655 -13.684 -5.793 1.00 0.00 H new ATOM 0 HA SER A 22 -0.813 -14.219 -7.348 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.106 -16.046 -8.184 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.619 -14.608 -9.059 1.00 0.00 H new ATOM 0 HG SER A 22 2.912 -14.698 -8.726 1.00 0.00 H new ATOM 344 N TYR A 23 0.781 -15.921 -5.057 1.00 0.00 N ATOM 345 CA TYR A 23 0.678 -17.020 -4.100 1.00 0.00 C ATOM 346 C TYR A 23 -0.501 -16.812 -3.152 1.00 0.00 C ATOM 347 O TYR A 23 -0.859 -17.709 -2.388 1.00 0.00 O ATOM 348 CB TYR A 23 1.975 -17.148 -3.299 1.00 0.00 C ATOM 349 CG TYR A 23 3.110 -17.775 -4.077 1.00 0.00 C ATOM 350 CD1 TYR A 23 3.518 -17.246 -5.294 1.00 0.00 C ATOM 351 CD2 TYR A 23 3.775 -18.895 -3.592 1.00 0.00 C ATOM 352 CE1 TYR A 23 4.556 -17.814 -6.008 1.00 0.00 C ATOM 353 CE2 TYR A 23 4.814 -19.469 -4.300 1.00 0.00 C ATOM 354 CZ TYR A 23 5.200 -18.925 -5.507 1.00 0.00 C ATOM 355 OH TYR A 23 6.236 -19.493 -6.213 1.00 0.00 O ATOM 0 H TYR A 23 1.576 -15.302 -4.898 1.00 0.00 H new ATOM 0 HA TYR A 23 0.511 -17.940 -4.660 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.282 -16.158 -2.960 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.784 -17.745 -2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.016 -16.376 -5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.475 -19.323 -2.647 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.861 -17.390 -6.953 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.321 -20.339 -3.910 1.00 0.00 H new ATOM 0 HH TYR A 23 6.581 -20.267 -5.721 1.00 0.00 H new ATOM 365 N ALA A 24 -1.091 -15.618 -3.205 1.00 0.00 N ATOM 366 CA ALA A 24 -2.227 -15.275 -2.354 1.00 0.00 C ATOM 367 C ALA A 24 -3.062 -16.507 -2.014 1.00 0.00 C ATOM 368 O ALA A 24 -3.557 -17.201 -2.902 1.00 0.00 O ATOM 369 CB ALA A 24 -3.101 -14.219 -3.015 1.00 0.00 C ATOM 0 H ALA A 24 -0.798 -14.869 -3.833 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.826 -14.868 -1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.940 -13.980 -2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.512 -13.319 -3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.477 -14.600 -3.964 1.00 0.00 H new ATOM 375 N ARG A 25 -3.214 -16.769 -0.719 1.00 0.00 N ATOM 376 CA ARG A 25 -3.988 -17.915 -0.256 1.00 0.00 C ATOM 377 C ARG A 25 -5.420 -17.507 0.074 1.00 0.00 C ATOM 378 O ARG A 25 -6.168 -18.270 0.687 1.00 0.00 O ATOM 379 CB ARG A 25 -3.328 -18.549 0.970 1.00 0.00 C ATOM 380 CG ARG A 25 -2.862 -19.977 0.736 1.00 0.00 C ATOM 381 CD ARG A 25 -3.068 -20.843 1.969 1.00 0.00 C ATOM 382 NE ARG A 25 -1.845 -21.536 2.361 1.00 0.00 N ATOM 383 CZ ARG A 25 -1.711 -22.202 3.504 1.00 0.00 C ATOM 384 NH1 ARG A 25 -2.720 -22.261 4.362 1.00 0.00 N ATOM 385 NH2 ARG A 25 -0.569 -22.810 3.789 1.00 0.00 N ATOM 0 H ARG A 25 -2.811 -16.203 0.028 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.015 -18.649 -1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.474 -17.941 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.034 -18.537 1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.408 -20.405 -0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.807 -19.976 0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.413 -20.221 2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.852 -21.574 1.772 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.049 -21.508 1.723 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.601 -21.795 4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.615 -22.772 5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.209 -22.768 3.131 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.468 -23.320 4.666 1.00 0.00 H new ATOM 399 N VAL A 26 -5.796 -16.300 -0.335 1.00 0.00 N ATOM 400 CA VAL A 26 -7.138 -15.792 -0.084 1.00 0.00 C ATOM 401 C VAL A 26 -7.677 -15.046 -1.299 1.00 0.00 C ATOM 402 O VAL A 26 -6.952 -14.295 -1.951 1.00 0.00 O ATOM 403 CB VAL A 26 -7.163 -14.852 1.136 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.135 -15.656 2.428 1.00 0.00 C ATOM 405 CG2 VAL A 26 -5.997 -13.876 1.083 1.00 0.00 C ATOM 0 H VAL A 26 -5.189 -15.656 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.772 -16.655 0.120 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.089 -14.277 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.153 -14.976 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.005 -16.311 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.226 -16.257 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.032 -13.220 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.058 -14.430 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.065 -13.277 0.175 1.00 0.00 H new ATOM 415 N SER A 27 -8.954 -15.258 -1.601 1.00 0.00 N ATOM 416 CA SER A 27 -9.588 -14.605 -2.739 1.00 0.00 C ATOM 417 C SER A 27 -9.516 -13.089 -2.603 1.00 0.00 C ATOM 418 O SER A 27 -9.264 -12.379 -3.577 1.00 0.00 O ATOM 419 CB SER A 27 -11.045 -15.053 -2.863 1.00 0.00 C ATOM 420 OG SER A 27 -11.766 -14.207 -3.741 1.00 0.00 O ATOM 0 H SER A 27 -9.569 -15.877 -1.073 1.00 0.00 H new ATOM 0 HA SER A 27 -9.050 -14.895 -3.641 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.083 -16.079 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.515 -15.047 -1.880 1.00 0.00 H new ATOM 0 HG SER A 27 -12.694 -14.516 -3.804 1.00 0.00 H new ATOM 426 N GLU A 28 -9.736 -12.597 -1.387 1.00 0.00 N ATOM 427 CA GLU A 28 -9.692 -11.164 -1.124 1.00 0.00 C ATOM 428 C GLU A 28 -8.576 -10.831 -0.137 1.00 0.00 C ATOM 429 O GLU A 28 -8.332 -11.573 0.813 1.00 0.00 O ATOM 430 CB GLU A 28 -11.036 -10.680 -0.574 1.00 0.00 C ATOM 431 CG GLU A 28 -11.117 -9.171 -0.412 1.00 0.00 C ATOM 432 CD GLU A 28 -12.525 -8.687 -0.131 1.00 0.00 C ATOM 433 OE1 GLU A 28 -13.278 -9.413 0.551 1.00 0.00 O ATOM 434 OE2 GLU A 28 -12.876 -7.580 -0.593 1.00 0.00 O ATOM 0 H GLU A 28 -9.946 -13.170 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.490 -10.652 -2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.832 -11.009 -1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.215 -11.151 0.392 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.462 -8.862 0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.747 -8.692 -1.319 1.00 0.00 H new ATOM 441 N PHE A 29 -7.904 -9.710 -0.370 1.00 0.00 N ATOM 442 CA PHE A 29 -6.817 -9.277 0.499 1.00 0.00 C ATOM 443 C PHE A 29 -7.332 -8.334 1.580 1.00 0.00 C ATOM 444 O PHE A 29 -8.468 -7.865 1.518 1.00 0.00 O ATOM 445 CB PHE A 29 -5.718 -8.589 -0.315 1.00 0.00 C ATOM 446 CG PHE A 29 -5.486 -9.213 -1.662 1.00 0.00 C ATOM 447 CD1 PHE A 29 -5.746 -10.558 -1.871 1.00 0.00 C ATOM 448 CD2 PHE A 29 -5.009 -8.453 -2.717 1.00 0.00 C ATOM 449 CE1 PHE A 29 -5.532 -11.134 -3.110 1.00 0.00 C ATOM 450 CE2 PHE A 29 -4.792 -9.024 -3.957 1.00 0.00 C ATOM 451 CZ PHE A 29 -5.054 -10.366 -4.154 1.00 0.00 C ATOM 0 H PHE A 29 -8.093 -9.085 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.398 -10.161 0.979 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.981 -7.540 -0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.788 -8.614 0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.120 -11.163 -1.058 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.804 -7.403 -2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.738 -12.183 -3.261 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.418 -8.421 -4.771 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.885 -10.814 -5.122 1.00 0.00 H new ATOM 461 N ASP A 30 -6.486 -8.053 2.564 1.00 0.00 N ATOM 462 CA ASP A 30 -6.853 -7.158 3.653 1.00 0.00 C ATOM 463 C ASP A 30 -6.008 -5.891 3.608 1.00 0.00 C ATOM 464 O ASP A 30 -4.787 -5.942 3.757 1.00 0.00 O ATOM 465 CB ASP A 30 -6.682 -7.857 5.002 1.00 0.00 C ATOM 466 CG ASP A 30 -7.587 -9.065 5.144 1.00 0.00 C ATOM 467 OD1 ASP A 30 -7.377 -10.054 4.409 1.00 0.00 O ATOM 468 OD2 ASP A 30 -8.508 -9.023 5.987 1.00 0.00 O ATOM 0 H ASP A 30 -5.541 -8.432 2.630 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.901 -6.884 3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.644 -8.168 5.118 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.895 -7.150 5.804 1.00 0.00 H new ATOM 473 N VAL A 31 -6.663 -4.756 3.396 1.00 0.00 N ATOM 474 CA VAL A 31 -5.970 -3.477 3.325 1.00 0.00 C ATOM 475 C VAL A 31 -6.505 -2.504 4.370 1.00 0.00 C ATOM 476 O VAL A 31 -7.693 -2.181 4.379 1.00 0.00 O ATOM 477 CB VAL A 31 -6.107 -2.843 1.926 1.00 0.00 C ATOM 478 CG1 VAL A 31 -5.227 -1.607 1.809 1.00 0.00 C ATOM 479 CG2 VAL A 31 -5.759 -3.857 0.847 1.00 0.00 C ATOM 0 H VAL A 31 -7.673 -4.696 3.270 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.917 -3.674 3.524 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.143 -2.536 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.338 -1.174 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.527 -0.875 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.185 -1.885 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.861 -3.394 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.732 -4.196 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.435 -4.710 0.917 1.00 0.00 H new ATOM 489 N TYR A 32 -5.623 -2.045 5.251 1.00 0.00 N ATOM 490 CA TYR A 32 -6.010 -1.112 6.303 1.00 0.00 C ATOM 491 C TYR A 32 -5.097 0.110 6.316 1.00 0.00 C ATOM 492 O TYR A 32 -3.874 -0.018 6.362 1.00 0.00 O ATOM 493 CB TYR A 32 -5.965 -1.806 7.666 1.00 0.00 C ATOM 494 CG TYR A 32 -7.086 -2.797 7.883 1.00 0.00 C ATOM 495 CD1 TYR A 32 -8.292 -2.401 8.445 1.00 0.00 C ATOM 496 CD2 TYR A 32 -6.934 -4.133 7.530 1.00 0.00 C ATOM 497 CE1 TYR A 32 -9.317 -3.306 8.649 1.00 0.00 C ATOM 498 CE2 TYR A 32 -7.954 -5.044 7.728 1.00 0.00 C ATOM 499 CZ TYR A 32 -9.143 -4.625 8.288 1.00 0.00 C ATOM 500 OH TYR A 32 -10.161 -5.529 8.490 1.00 0.00 O ATOM 0 H TYR A 32 -4.636 -2.303 5.258 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.028 -0.779 6.100 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.011 -2.323 7.769 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.004 -1.050 8.450 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.432 -1.368 8.728 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.003 -4.464 7.094 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.249 -2.982 9.089 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.821 -6.078 7.446 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.878 -6.415 8.181 1.00 0.00 H new ATOM 510 N PHE A 33 -5.700 1.293 6.283 1.00 0.00 N ATOM 511 CA PHE A 33 -4.943 2.539 6.300 1.00 0.00 C ATOM 512 C PHE A 33 -5.526 3.501 7.329 1.00 0.00 C ATOM 513 O PHE A 33 -6.702 3.860 7.262 1.00 0.00 O ATOM 514 CB PHE A 33 -4.941 3.187 4.914 1.00 0.00 C ATOM 515 CG PHE A 33 -6.258 3.800 4.530 1.00 0.00 C ATOM 516 CD1 PHE A 33 -6.599 5.069 4.969 1.00 0.00 C ATOM 517 CD2 PHE A 33 -7.154 3.108 3.730 1.00 0.00 C ATOM 518 CE1 PHE A 33 -7.808 5.636 4.617 1.00 0.00 C ATOM 519 CE2 PHE A 33 -8.364 3.671 3.375 1.00 0.00 C ATOM 520 CZ PHE A 33 -8.692 4.937 3.820 1.00 0.00 C ATOM 0 H PHE A 33 -6.712 1.415 6.244 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.914 2.310 6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.170 3.957 4.884 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.670 2.436 4.172 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.912 5.621 5.593 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.903 2.117 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.062 6.626 4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.053 3.122 2.750 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.638 5.379 3.545 1.00 0.00 H new ATOM 530 N GLU A 34 -4.697 3.914 8.281 1.00 0.00 N ATOM 531 CA GLU A 34 -5.133 4.834 9.326 1.00 0.00 C ATOM 532 C GLU A 34 -4.065 5.885 9.610 1.00 0.00 C ATOM 533 O GLU A 34 -2.943 5.554 9.994 1.00 0.00 O ATOM 534 CB GLU A 34 -5.461 4.065 10.607 1.00 0.00 C ATOM 535 CG GLU A 34 -4.240 3.484 11.299 1.00 0.00 C ATOM 536 CD GLU A 34 -4.594 2.396 12.293 1.00 0.00 C ATOM 537 OE1 GLU A 34 -5.790 2.051 12.392 1.00 0.00 O ATOM 538 OE2 GLU A 34 -3.676 1.888 12.970 1.00 0.00 O ATOM 0 H GLU A 34 -3.721 3.627 8.351 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.031 5.342 8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.977 4.731 11.298 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.152 3.256 10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.561 3.078 10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.706 4.282 11.815 1.00 0.00 H new ATOM 545 N GLY A 35 -4.419 7.153 9.417 1.00 0.00 N ATOM 546 CA GLY A 35 -3.477 8.229 9.657 1.00 0.00 C ATOM 547 C GLY A 35 -2.272 8.154 8.744 1.00 0.00 C ATOM 548 O GLY A 35 -2.126 8.961 7.829 1.00 0.00 O ATOM 0 H GLY A 35 -5.341 7.453 9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.979 9.186 9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.146 8.194 10.695 1.00 0.00 H new ATOM 552 N SER A 36 -1.413 7.175 8.991 1.00 0.00 N ATOM 553 CA SER A 36 -0.212 6.979 8.187 1.00 0.00 C ATOM 554 C SER A 36 0.300 5.555 8.356 1.00 0.00 C ATOM 555 O SER A 36 1.491 5.284 8.195 1.00 0.00 O ATOM 556 CB SER A 36 0.873 7.980 8.590 1.00 0.00 C ATOM 557 OG SER A 36 0.341 9.006 9.409 1.00 0.00 O ATOM 0 H SER A 36 -1.526 6.499 9.747 1.00 0.00 H new ATOM 0 HA SER A 36 -0.463 7.145 7.139 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.670 7.462 9.123 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.318 8.418 7.697 1.00 0.00 H new ATOM 0 HG SER A 36 0.460 9.872 8.967 1.00 0.00 H new ATOM 563 N ASP A 37 -0.618 4.651 8.680 1.00 0.00 N ATOM 564 CA ASP A 37 -0.280 3.248 8.877 1.00 0.00 C ATOM 565 C ASP A 37 -0.961 2.370 7.834 1.00 0.00 C ATOM 566 O ASP A 37 -2.162 2.110 7.915 1.00 0.00 O ATOM 567 CB ASP A 37 -0.696 2.797 10.280 1.00 0.00 C ATOM 568 CG ASP A 37 0.237 3.315 11.356 1.00 0.00 C ATOM 569 OD1 ASP A 37 0.254 4.543 11.586 1.00 0.00 O ATOM 570 OD2 ASP A 37 0.948 2.493 11.970 1.00 0.00 O ATOM 0 H ASP A 37 -1.606 4.867 8.812 1.00 0.00 H new ATOM 0 HA ASP A 37 0.799 3.143 8.767 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.709 3.144 10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.718 1.708 10.316 1.00 0.00 H new ATOM 575 N PHE A 38 -0.186 1.911 6.856 1.00 0.00 N ATOM 576 CA PHE A 38 -0.723 1.056 5.805 1.00 0.00 C ATOM 577 C PHE A 38 -0.285 -0.388 5.999 1.00 0.00 C ATOM 578 O PHE A 38 0.909 -0.692 6.017 1.00 0.00 O ATOM 579 CB PHE A 38 -0.290 1.541 4.421 1.00 0.00 C ATOM 580 CG PHE A 38 -0.764 0.645 3.311 1.00 0.00 C ATOM 581 CD1 PHE A 38 -0.093 -0.533 3.017 1.00 0.00 C ATOM 582 CD2 PHE A 38 -1.885 0.975 2.569 1.00 0.00 C ATOM 583 CE1 PHE A 38 -0.532 -1.361 2.002 1.00 0.00 C ATOM 584 CE2 PHE A 38 -2.328 0.150 1.552 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.651 -1.019 1.268 1.00 0.00 C ATOM 0 H PHE A 38 0.810 2.116 6.770 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.810 1.108 5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.675 2.548 4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.798 1.607 4.389 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.782 -0.806 3.588 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.420 1.888 2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.001 -2.275 1.783 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.203 0.420 0.980 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.995 -1.665 0.474 1.00 0.00 H new ATOM 595 N LYS A 39 -1.260 -1.274 6.141 1.00 0.00 N ATOM 596 CA LYS A 39 -0.985 -2.688 6.332 1.00 0.00 C ATOM 597 C LYS A 39 -1.705 -3.522 5.278 1.00 0.00 C ATOM 598 O LYS A 39 -2.877 -3.289 4.982 1.00 0.00 O ATOM 599 CB LYS A 39 -1.415 -3.129 7.730 1.00 0.00 C ATOM 600 CG LYS A 39 -1.431 -2.001 8.751 1.00 0.00 C ATOM 601 CD LYS A 39 -0.611 -2.349 9.983 1.00 0.00 C ATOM 602 CE LYS A 39 -0.470 -1.152 10.911 1.00 0.00 C ATOM 603 NZ LYS A 39 -0.498 -1.552 12.344 1.00 0.00 N ATOM 0 H LYS A 39 -2.252 -1.036 6.127 1.00 0.00 H new ATOM 0 HA LYS A 39 0.089 -2.844 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.411 -3.569 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.741 -3.912 8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.037 -1.092 8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.459 -1.790 9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.086 -3.172 10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.377 -2.694 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.466 -0.635 10.697 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.276 -0.445 10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.399 -0.707 12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.401 -2.022 12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.287 -2.207 12.537 1.00 0.00 H new ATOM 617 N PHE A 40 -0.995 -4.489 4.715 1.00 0.00 N ATOM 618 CA PHE A 40 -1.558 -5.356 3.691 1.00 0.00 C ATOM 619 C PHE A 40 -1.326 -6.822 4.033 1.00 0.00 C ATOM 620 O PHE A 40 -0.191 -7.298 4.014 1.00 0.00 O ATOM 621 CB PHE A 40 -0.932 -5.047 2.331 1.00 0.00 C ATOM 622 CG PHE A 40 -1.397 -5.967 1.241 1.00 0.00 C ATOM 623 CD1 PHE A 40 -2.674 -5.851 0.713 1.00 0.00 C ATOM 624 CD2 PHE A 40 -0.558 -6.951 0.746 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.104 -6.701 -0.288 1.00 0.00 C ATOM 626 CE2 PHE A 40 -0.982 -7.805 -0.254 1.00 0.00 C ATOM 627 CZ PHE A 40 -2.257 -7.679 -0.772 1.00 0.00 C ATOM 0 H PHE A 40 -0.024 -4.693 4.952 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.631 -5.170 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.168 -4.019 2.055 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.153 -5.113 2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.340 -5.088 1.088 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.440 -7.052 1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.101 -6.601 -0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.318 -8.570 -0.630 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.591 -8.344 -1.554 1.00 0.00 H new ATOM 637 N TYR A 41 -2.402 -7.540 4.332 1.00 0.00 N ATOM 638 CA TYR A 41 -2.293 -8.953 4.662 1.00 0.00 C ATOM 639 C TYR A 41 -3.291 -9.784 3.866 1.00 0.00 C ATOM 640 O TYR A 41 -4.475 -9.455 3.792 1.00 0.00 O ATOM 641 CB TYR A 41 -2.515 -9.200 6.158 1.00 0.00 C ATOM 642 CG TYR A 41 -2.533 -7.956 7.018 1.00 0.00 C ATOM 643 CD1 TYR A 41 -3.492 -6.966 6.839 1.00 0.00 C ATOM 644 CD2 TYR A 41 -1.599 -7.787 8.034 1.00 0.00 C ATOM 645 CE1 TYR A 41 -3.519 -5.844 7.648 1.00 0.00 C ATOM 646 CE2 TYR A 41 -1.616 -6.668 8.842 1.00 0.00 C ATOM 647 CZ TYR A 41 -2.578 -5.701 8.647 1.00 0.00 C ATOM 648 OH TYR A 41 -2.605 -4.590 9.461 1.00 0.00 O ATOM 0 H TYR A 41 -3.352 -7.170 4.352 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.280 -9.259 4.399 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.461 -9.726 6.287 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.730 -9.863 6.521 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.228 -7.074 6.056 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.847 -8.545 8.194 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.272 -5.085 7.498 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.879 -6.551 9.623 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.565 -4.871 10.399 1.00 0.00 H new ATOM 658 N ALA A 42 -2.807 -10.885 3.306 1.00 0.00 N ATOM 659 CA ALA A 42 -3.651 -11.798 2.550 1.00 0.00 C ATOM 660 C ALA A 42 -3.903 -13.035 3.397 1.00 0.00 C ATOM 661 O ALA A 42 -5.040 -13.353 3.743 1.00 0.00 O ATOM 662 CB ALA A 42 -3.012 -12.178 1.222 1.00 0.00 C ATOM 0 H ALA A 42 -1.829 -11.168 3.362 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.595 -11.305 2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.670 -12.861 0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.854 -11.280 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.055 -12.666 1.405 1.00 0.00 H new ATOM 668 N LYS A 43 -2.814 -13.704 3.749 1.00 0.00 N ATOM 669 CA LYS A 43 -2.866 -14.891 4.588 1.00 0.00 C ATOM 670 C LYS A 43 -1.473 -15.177 5.155 1.00 0.00 C ATOM 671 O LYS A 43 -1.265 -15.098 6.365 1.00 0.00 O ATOM 672 CB LYS A 43 -3.429 -16.090 3.813 1.00 0.00 C ATOM 673 CG LYS A 43 -2.798 -17.423 4.187 1.00 0.00 C ATOM 674 CD LYS A 43 -3.128 -17.805 5.622 1.00 0.00 C ATOM 675 CE LYS A 43 -1.964 -18.516 6.294 1.00 0.00 C ATOM 676 NZ LYS A 43 -2.378 -19.815 6.894 1.00 0.00 N ATOM 0 H LYS A 43 -1.872 -13.439 3.461 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.545 -14.713 5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.504 -16.148 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.286 -15.919 2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.154 -18.200 3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.717 -17.364 4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.384 -16.909 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.006 -18.451 5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.174 -18.689 5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.546 -17.875 7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.556 -20.268 7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.114 -19.648 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.753 -20.437 6.150 1.00 0.00 H new ATOM 690 N PRO A 44 -0.489 -15.504 4.292 1.00 0.00 N ATOM 691 CA PRO A 44 0.875 -15.785 4.715 1.00 0.00 C ATOM 692 C PRO A 44 1.799 -14.583 4.564 1.00 0.00 C ATOM 693 O PRO A 44 2.940 -14.604 5.028 1.00 0.00 O ATOM 694 CB PRO A 44 1.284 -16.858 3.724 1.00 0.00 C ATOM 695 CG PRO A 44 0.600 -16.467 2.449 1.00 0.00 C ATOM 696 CD PRO A 44 -0.609 -15.634 2.828 1.00 0.00 C ATOM 0 HA PRO A 44 0.937 -16.062 5.767 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.366 -16.893 3.600 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.969 -17.847 4.057 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.274 -15.898 1.809 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.298 -17.351 1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.597 -14.661 2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.540 -16.124 2.543 1.00 0.00 H new ATOM 704 N TYR A 45 1.317 -13.550 3.882 1.00 0.00 N ATOM 705 CA TYR A 45 2.129 -12.365 3.643 1.00 0.00 C ATOM 706 C TYR A 45 1.660 -11.163 4.462 1.00 0.00 C ATOM 707 O TYR A 45 0.465 -10.877 4.541 1.00 0.00 O ATOM 708 CB TYR A 45 2.120 -12.023 2.152 1.00 0.00 C ATOM 709 CG TYR A 45 3.023 -12.916 1.333 1.00 0.00 C ATOM 710 CD1 TYR A 45 4.368 -13.054 1.651 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.529 -13.626 0.244 1.00 0.00 C ATOM 712 CE1 TYR A 45 5.196 -13.875 0.910 1.00 0.00 C ATOM 713 CE2 TYR A 45 3.352 -14.448 -0.502 1.00 0.00 C ATOM 714 CZ TYR A 45 4.684 -14.569 -0.166 1.00 0.00 C ATOM 715 OH TYR A 45 5.505 -15.388 -0.906 1.00 0.00 O ATOM 0 H TYR A 45 0.377 -13.509 3.489 1.00 0.00 H new ATOM 0 HA TYR A 45 3.145 -12.594 3.964 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.101 -12.102 1.774 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.429 -10.986 2.021 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.773 -12.510 2.492 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.487 -13.534 -0.023 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.239 -13.973 1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.954 -14.993 -1.345 1.00 0.00 H new ATOM 0 HH TYR A 45 4.988 -15.804 -1.627 1.00 0.00 H new ATOM 725 N PHE A 46 2.618 -10.467 5.075 1.00 0.00 N ATOM 726 CA PHE A 46 2.322 -9.297 5.898 1.00 0.00 C ATOM 727 C PHE A 46 3.086 -8.067 5.401 1.00 0.00 C ATOM 728 O PHE A 46 4.316 -8.054 5.390 1.00 0.00 O ATOM 729 CB PHE A 46 2.684 -9.589 7.358 1.00 0.00 C ATOM 730 CG PHE A 46 2.922 -8.358 8.189 1.00 0.00 C ATOM 731 CD1 PHE A 46 1.908 -7.438 8.394 1.00 0.00 C ATOM 732 CD2 PHE A 46 4.160 -8.127 8.772 1.00 0.00 C ATOM 733 CE1 PHE A 46 2.121 -6.309 9.163 1.00 0.00 C ATOM 734 CE2 PHE A 46 4.378 -7.000 9.542 1.00 0.00 C ATOM 735 CZ PHE A 46 3.358 -6.090 9.737 1.00 0.00 C ATOM 0 H PHE A 46 3.610 -10.696 5.016 1.00 0.00 H new ATOM 0 HA PHE A 46 1.256 -9.083 5.824 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.881 -10.171 7.811 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.580 -10.210 7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.939 -7.604 7.948 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.962 -8.835 8.623 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.321 -5.599 9.315 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.346 -6.831 9.991 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.527 -5.208 10.337 1.00 0.00 H new ATOM 745 N LEU A 47 2.348 -7.035 4.989 1.00 0.00 N ATOM 746 CA LEU A 47 2.961 -5.804 4.489 1.00 0.00 C ATOM 747 C LEU A 47 2.642 -4.615 5.390 1.00 0.00 C ATOM 748 O LEU A 47 1.504 -4.162 5.452 1.00 0.00 O ATOM 749 CB LEU A 47 2.477 -5.506 3.068 1.00 0.00 C ATOM 750 CG LEU A 47 3.571 -5.488 1.998 1.00 0.00 C ATOM 751 CD1 LEU A 47 2.992 -5.088 0.650 1.00 0.00 C ATOM 752 CD2 LEU A 47 4.693 -4.542 2.399 1.00 0.00 C ATOM 0 H LEU A 47 1.328 -7.027 4.992 1.00 0.00 H new ATOM 0 HA LEU A 47 4.040 -5.956 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.732 -6.252 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.975 -4.539 3.068 1.00 0.00 H new ATOM 0 HG LEU A 47 3.983 -6.493 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.784 -5.081 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.223 -5.803 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.553 -4.093 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.462 -4.542 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.295 -3.534 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.127 -4.872 3.343 1.00 0.00 H new ATOM 764 N ARG A 48 3.654 -4.105 6.081 1.00 0.00 N ATOM 765 CA ARG A 48 3.467 -2.960 6.964 1.00 0.00 C ATOM 766 C ARG A 48 4.293 -1.772 6.483 1.00 0.00 C ATOM 767 O ARG A 48 5.521 -1.787 6.563 1.00 0.00 O ATOM 768 CB ARG A 48 3.850 -3.320 8.398 1.00 0.00 C ATOM 769 CG ARG A 48 4.085 -2.109 9.284 1.00 0.00 C ATOM 770 CD ARG A 48 5.527 -2.039 9.760 1.00 0.00 C ATOM 771 NE ARG A 48 5.633 -2.196 11.206 1.00 0.00 N ATOM 772 CZ ARG A 48 5.197 -1.292 12.078 1.00 0.00 C ATOM 773 NH1 ARG A 48 4.626 -0.175 11.648 1.00 0.00 N ATOM 774 NH2 ARG A 48 5.331 -1.504 13.379 1.00 0.00 N ATOM 0 H ARG A 48 4.608 -4.464 6.048 1.00 0.00 H new ATOM 0 HA ARG A 48 2.413 -2.683 6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.060 -3.932 8.834 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.753 -3.930 8.382 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.838 -1.201 8.734 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.418 -2.152 10.145 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.110 -2.817 9.267 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.960 -1.083 9.466 1.00 0.00 H new ATOM 0 HE ARG A 48 6.065 -3.046 11.568 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.521 -0.009 10.647 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.292 0.518 12.318 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.769 -2.362 13.713 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.996 -0.809 14.046 1.00 0.00 H new ATOM 788 N LEU A 49 3.614 -0.747 5.974 1.00 0.00 N ATOM 789 CA LEU A 49 4.293 0.442 5.470 1.00 0.00 C ATOM 790 C LEU A 49 3.778 1.710 6.145 1.00 0.00 C ATOM 791 O LEU A 49 2.570 1.937 6.229 1.00 0.00 O ATOM 792 CB LEU A 49 4.107 0.550 3.956 1.00 0.00 C ATOM 793 CG LEU A 49 4.580 -0.665 3.158 1.00 0.00 C ATOM 794 CD1 LEU A 49 3.888 -0.717 1.804 1.00 0.00 C ATOM 795 CD2 LEU A 49 6.091 -0.633 2.985 1.00 0.00 C ATOM 0 H LEU A 49 2.597 -0.716 5.900 1.00 0.00 H new ATOM 0 HA LEU A 49 5.353 0.343 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.050 0.715 3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.643 1.430 3.601 1.00 0.00 H new ATOM 0 HG LEU A 49 4.316 -1.565 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.237 -1.588 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.810 -0.787 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.120 0.187 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.410 -1.505 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.377 0.274 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.570 -0.645 3.964 1.00 0.00 H new ATOM 807 N THR A 50 4.705 2.540 6.615 1.00 0.00 N ATOM 808 CA THR A 50 4.354 3.792 7.274 1.00 0.00 C ATOM 809 C THR A 50 4.526 4.973 6.324 1.00 0.00 C ATOM 810 O THR A 50 5.646 5.334 5.962 1.00 0.00 O ATOM 811 CB THR A 50 5.214 4.031 8.530 1.00 0.00 C ATOM 812 OG1 THR A 50 5.200 2.890 9.398 1.00 0.00 O ATOM 813 CG2 THR A 50 4.710 5.235 9.309 1.00 0.00 C ATOM 0 H THR A 50 5.708 2.366 6.551 1.00 0.00 H new ATOM 0 HA THR A 50 3.309 3.711 7.572 1.00 0.00 H new ATOM 0 HB THR A 50 6.233 4.211 8.187 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.755 3.071 10.185 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.332 5.384 10.191 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.757 6.122 8.678 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.679 5.063 9.617 1.00 0.00 H new ATOM 821 N LEU A 51 3.409 5.568 5.917 1.00 0.00 N ATOM 822 CA LEU A 51 3.437 6.703 5.003 1.00 0.00 C ATOM 823 C LEU A 51 4.032 7.937 5.678 1.00 0.00 C ATOM 824 O LEU A 51 3.631 8.309 6.781 1.00 0.00 O ATOM 825 CB LEU A 51 2.027 7.009 4.496 1.00 0.00 C ATOM 826 CG LEU A 51 1.237 5.791 4.010 1.00 0.00 C ATOM 827 CD1 LEU A 51 -0.209 6.168 3.733 1.00 0.00 C ATOM 828 CD2 LEU A 51 1.885 5.200 2.767 1.00 0.00 C ATOM 0 H LEU A 51 2.473 5.282 6.206 1.00 0.00 H new ATOM 0 HA LEU A 51 4.070 6.440 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.466 7.492 5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.099 7.727 3.679 1.00 0.00 H new ATOM 0 HG LEU A 51 1.248 5.036 4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.754 5.289 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.668 6.545 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.243 6.940 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.311 4.335 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.904 5.949 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.904 4.892 3.000 1.00 0.00 H new ATOM 840 N PRO A 52 5.005 8.584 5.019 1.00 0.00 N ATOM 841 CA PRO A 52 5.671 9.780 5.550 1.00 0.00 C ATOM 842 C PRO A 52 4.687 10.886 5.925 1.00 0.00 C ATOM 843 O PRO A 52 4.996 11.750 6.746 1.00 0.00 O ATOM 844 CB PRO A 52 6.566 10.236 4.394 1.00 0.00 C ATOM 845 CG PRO A 52 6.796 9.007 3.584 1.00 0.00 C ATOM 846 CD PRO A 52 5.538 8.194 3.703 1.00 0.00 C ATOM 0 HA PRO A 52 6.213 9.561 6.470 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.083 11.015 3.803 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.505 10.650 4.760 1.00 0.00 H new ATOM 0 HG2 PRO A 52 7.002 9.258 2.543 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.657 8.451 3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.835 8.421 2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.744 7.125 3.653 1.00 0.00 H new ATOM 854 N GLY A 53 3.505 10.854 5.320 1.00 0.00 N ATOM 855 CA GLY A 53 2.499 11.861 5.607 1.00 0.00 C ATOM 856 C GLY A 53 1.242 11.268 6.209 1.00 0.00 C ATOM 857 O GLY A 53 1.312 10.446 7.123 1.00 0.00 O ATOM 0 H GLY A 53 3.225 10.150 4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.914 12.599 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.244 12.388 4.688 1.00 0.00 H new ATOM 861 N ARG A 54 0.088 11.680 5.696 1.00 0.00 N ATOM 862 CA ARG A 54 -1.187 11.177 6.191 1.00 0.00 C ATOM 863 C ARG A 54 -2.215 11.087 5.066 1.00 0.00 C ATOM 864 O ARG A 54 -2.283 11.960 4.201 1.00 0.00 O ATOM 865 CB ARG A 54 -1.722 12.072 7.312 1.00 0.00 C ATOM 866 CG ARG A 54 -0.640 12.623 8.228 1.00 0.00 C ATOM 867 CD ARG A 54 -1.193 12.945 9.609 1.00 0.00 C ATOM 868 NE ARG A 54 -0.189 13.554 10.478 1.00 0.00 N ATOM 869 CZ ARG A 54 0.694 12.855 11.185 1.00 0.00 C ATOM 870 NH1 ARG A 54 0.705 11.531 11.115 1.00 0.00 N ATOM 871 NH2 ARG A 54 1.567 13.481 11.964 1.00 0.00 N ATOM 0 H ARG A 54 0.010 12.359 4.939 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.017 10.176 6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.269 12.905 6.870 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.435 11.503 7.909 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.167 11.896 8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.211 13.523 7.787 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.043 13.620 9.510 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.565 12.031 10.072 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.164 14.571 10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.035 11.046 10.518 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.383 10.997 11.658 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.561 14.499 12.021 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.244 12.944 12.506 1.00 0.00 H new ATOM 885 N ILE A 55 -3.018 10.027 5.090 1.00 0.00 N ATOM 886 CA ILE A 55 -4.048 9.823 4.077 1.00 0.00 C ATOM 887 C ILE A 55 -5.432 9.807 4.716 1.00 0.00 C ATOM 888 O ILE A 55 -5.681 9.055 5.658 1.00 0.00 O ATOM 889 CB ILE A 55 -3.829 8.501 3.314 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.524 8.558 2.518 1.00 0.00 C ATOM 891 CG2 ILE A 55 -5.004 8.208 2.391 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.297 9.884 1.825 1.00 0.00 C ATOM 0 H ILE A 55 -2.975 9.296 5.800 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.980 10.652 3.373 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.759 7.692 4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.689 8.361 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.528 7.763 1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.827 7.271 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.918 8.126 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.109 9.017 1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.354 9.853 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.113 10.074 1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.261 10.681 2.568 1.00 0.00 H new ATOM 904 N VAL A 56 -6.326 10.651 4.211 1.00 0.00 N ATOM 905 CA VAL A 56 -7.678 10.739 4.757 1.00 0.00 C ATOM 906 C VAL A 56 -8.398 9.396 4.691 1.00 0.00 C ATOM 907 O VAL A 56 -8.053 8.531 3.886 1.00 0.00 O ATOM 908 CB VAL A 56 -8.513 11.795 4.014 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.840 11.320 2.612 1.00 0.00 C ATOM 910 CG2 VAL A 56 -9.782 12.117 4.789 1.00 0.00 C ATOM 0 H VAL A 56 -6.142 11.280 3.430 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.574 11.034 5.801 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.925 12.710 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.431 12.079 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.915 11.147 2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.409 10.392 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.359 12.866 4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.378 11.212 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.519 12.504 5.773 1.00 0.00 H new ATOM 920 N GLU A 57 -9.403 9.233 5.547 1.00 0.00 N ATOM 921 CA GLU A 57 -10.178 7.999 5.594 1.00 0.00 C ATOM 922 C GLU A 57 -11.655 8.280 5.328 1.00 0.00 C ATOM 923 O GLU A 57 -12.256 9.145 5.965 1.00 0.00 O ATOM 924 CB GLU A 57 -10.005 7.318 6.956 1.00 0.00 C ATOM 925 CG GLU A 57 -11.154 6.397 7.334 1.00 0.00 C ATOM 926 CD GLU A 57 -12.220 7.101 8.152 1.00 0.00 C ATOM 927 OE1 GLU A 57 -11.916 7.520 9.288 1.00 0.00 O ATOM 928 OE2 GLU A 57 -13.358 7.233 7.654 1.00 0.00 O ATOM 0 H GLU A 57 -9.699 9.942 6.218 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.810 7.331 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.079 6.743 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.899 8.084 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.605 5.993 6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.765 5.551 7.901 1.00 0.00 H new ATOM 935 N ASN A 58 -12.234 7.544 4.385 1.00 0.00 N ATOM 936 CA ASN A 58 -13.641 7.720 4.039 1.00 0.00 C ATOM 937 C ASN A 58 -14.162 6.530 3.240 1.00 0.00 C ATOM 938 O ASN A 58 -15.280 6.065 3.460 1.00 0.00 O ATOM 939 CB ASN A 58 -13.834 9.011 3.240 1.00 0.00 C ATOM 940 CG ASN A 58 -15.096 9.752 3.635 1.00 0.00 C ATOM 941 OD1 ASN A 58 -15.982 9.980 2.812 1.00 0.00 O ATOM 942 ND2 ASN A 58 -15.183 10.133 4.905 1.00 0.00 N ATOM 0 H ASN A 58 -11.753 6.822 3.848 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.210 7.786 4.966 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.972 9.661 3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.872 8.775 2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.008 10.636 5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.424 9.923 5.554 1.00 0.00 H new ATOM 949 N GLY A 59 -13.347 6.041 2.311 1.00 0.00 N ATOM 950 CA GLY A 59 -13.751 4.909 1.497 1.00 0.00 C ATOM 951 C GLY A 59 -13.955 5.278 0.040 1.00 0.00 C ATOM 952 O GLY A 59 -14.296 4.424 -0.778 1.00 0.00 O ATOM 0 H GLY A 59 -12.417 6.407 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.994 4.128 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.676 4.493 1.895 1.00 0.00 H new ATOM 956 N SER A 60 -13.744 6.549 -0.288 1.00 0.00 N ATOM 957 CA SER A 60 -13.903 7.018 -1.660 1.00 0.00 C ATOM 958 C SER A 60 -12.583 6.920 -2.416 1.00 0.00 C ATOM 959 O SER A 60 -12.301 7.724 -3.305 1.00 0.00 O ATOM 960 CB SER A 60 -14.409 8.460 -1.677 1.00 0.00 C ATOM 961 OG SER A 60 -15.825 8.505 -1.663 1.00 0.00 O ATOM 0 H SER A 60 -13.463 7.271 0.376 1.00 0.00 H new ATOM 0 HA SER A 60 -14.637 6.382 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.017 8.996 -0.813 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.035 8.969 -2.565 1.00 0.00 H new ATOM 0 HG SER A 60 -16.123 9.439 -1.673 1.00 0.00 H new ATOM 967 N GLU A 61 -11.777 5.930 -2.050 1.00 0.00 N ATOM 968 CA GLU A 61 -10.482 5.720 -2.683 1.00 0.00 C ATOM 969 C GLU A 61 -10.638 4.996 -4.017 1.00 0.00 C ATOM 970 O GLU A 61 -11.748 4.848 -4.527 1.00 0.00 O ATOM 971 CB GLU A 61 -9.571 4.914 -1.757 1.00 0.00 C ATOM 972 CG GLU A 61 -9.379 5.551 -0.392 1.00 0.00 C ATOM 973 CD GLU A 61 -10.350 5.014 0.641 1.00 0.00 C ATOM 974 OE1 GLU A 61 -10.910 3.921 0.416 1.00 0.00 O ATOM 975 OE2 GLU A 61 -10.549 5.687 1.674 1.00 0.00 O ATOM 0 H GLU A 61 -11.999 5.258 -1.315 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.033 6.695 -2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.989 3.916 -1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.598 4.793 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.358 5.375 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.505 6.630 -0.477 1.00 0.00 H new ATOM 982 N GLN A 62 -9.519 4.544 -4.576 1.00 0.00 N ATOM 983 CA GLN A 62 -9.536 3.833 -5.850 1.00 0.00 C ATOM 984 C GLN A 62 -8.710 2.555 -5.769 1.00 0.00 C ATOM 985 O GLN A 62 -7.521 2.592 -5.457 1.00 0.00 O ATOM 986 CB GLN A 62 -9.001 4.731 -6.969 1.00 0.00 C ATOM 987 CG GLN A 62 -10.087 5.495 -7.708 1.00 0.00 C ATOM 988 CD GLN A 62 -9.848 5.547 -9.205 1.00 0.00 C ATOM 989 OE1 GLN A 62 -8.725 5.362 -9.673 1.00 0.00 O ATOM 990 NE2 GLN A 62 -10.908 5.802 -9.965 1.00 0.00 N ATOM 0 H GLN A 62 -8.591 4.657 -4.168 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.568 3.564 -6.074 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.292 5.442 -6.545 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.450 4.119 -7.682 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.052 5.027 -7.514 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.142 6.511 -7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.821 5.949 -9.534 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.809 5.851 -10.979 1.00 0.00 H new ATOM 999 N GLY A 63 -9.347 1.423 -6.050 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.653 0.150 -6.001 1.00 0.00 C ATOM 1001 C GLY A 63 -8.711 -0.593 -7.320 1.00 0.00 C ATOM 1002 O GLY A 63 -9.767 -0.677 -7.947 1.00 0.00 O ATOM 0 H GLY A 63 -10.331 1.365 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.611 0.318 -5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.092 -0.470 -5.219 1.00 0.00 H new ATOM 1006 N SER A 64 -7.574 -1.133 -7.745 1.00 0.00 N ATOM 1007 CA SER A 64 -7.504 -1.873 -8.999 1.00 0.00 C ATOM 1008 C SER A 64 -6.471 -2.993 -8.916 1.00 0.00 C ATOM 1009 O SER A 64 -5.266 -2.747 -8.965 1.00 0.00 O ATOM 1010 CB SER A 64 -7.161 -0.929 -10.153 1.00 0.00 C ATOM 1011 OG SER A 64 -6.417 -1.600 -11.157 1.00 0.00 O ATOM 0 H SER A 64 -6.690 -1.072 -7.240 1.00 0.00 H new ATOM 0 HA SER A 64 -8.481 -2.320 -9.183 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.078 -0.527 -10.583 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.588 -0.082 -9.776 1.00 0.00 H new ATOM 0 HG SER A 64 -6.212 -0.976 -11.884 1.00 0.00 H new ATOM 1017 N TYR A 65 -6.956 -4.225 -8.792 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.083 -5.390 -8.702 1.00 0.00 C ATOM 1019 C TYR A 65 -6.362 -6.359 -9.848 1.00 0.00 C ATOM 1020 O TYR A 65 -7.517 -6.622 -10.183 1.00 0.00 O ATOM 1021 CB TYR A 65 -6.274 -6.088 -7.349 1.00 0.00 C ATOM 1022 CG TYR A 65 -6.036 -7.583 -7.379 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -7.066 -8.463 -7.693 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -4.785 -8.114 -7.094 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -6.855 -9.828 -7.720 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -4.566 -9.479 -7.120 1.00 0.00 C ATOM 1027 CZ TYR A 65 -5.603 -10.330 -7.433 1.00 0.00 C ATOM 1028 OH TYR A 65 -5.388 -11.690 -7.460 1.00 0.00 O ATOM 0 H TYR A 65 -7.952 -4.442 -8.752 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.048 -5.057 -8.781 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.596 -5.639 -6.623 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.288 -5.901 -6.997 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.047 -8.073 -7.920 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.970 -7.450 -6.848 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.666 -10.498 -7.964 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.587 -9.876 -6.896 1.00 0.00 H new ATOM 0 HH TYR A 65 -4.453 -11.878 -7.235 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.298 -6.887 -10.445 1.00 0.00 N ATOM 1039 CA ASP A 66 -5.434 -7.825 -11.552 1.00 0.00 C ATOM 1040 C ASP A 66 -4.752 -9.151 -11.235 1.00 0.00 C ATOM 1041 O ASP A 66 -3.609 -9.180 -10.777 1.00 0.00 O ATOM 1042 CB ASP A 66 -4.839 -7.234 -12.831 1.00 0.00 C ATOM 1043 CG ASP A 66 -5.897 -6.650 -13.746 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -6.764 -7.416 -14.218 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -5.860 -5.426 -13.992 1.00 0.00 O ATOM 0 H ASP A 66 -4.334 -6.681 -10.181 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.498 -8.008 -11.702 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.121 -6.457 -12.569 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.289 -8.009 -13.365 1.00 0.00 H new ATOM 1050 N ALA A 67 -5.461 -10.246 -11.492 1.00 0.00 N ATOM 1051 CA ALA A 67 -4.928 -11.580 -11.246 1.00 0.00 C ATOM 1052 C ALA A 67 -3.990 -11.995 -12.371 1.00 0.00 C ATOM 1053 O ALA A 67 -2.914 -12.542 -12.130 1.00 0.00 O ATOM 1054 CB ALA A 67 -6.051 -12.596 -11.095 1.00 0.00 C ATOM 0 H ALA A 67 -6.408 -10.235 -11.871 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.365 -11.551 -10.313 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.626 -13.583 -10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.687 -12.313 -10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.645 -12.620 -12.009 1.00 0.00 H new ATOM 1060 N ASP A 68 -4.406 -11.725 -13.605 1.00 0.00 N ATOM 1061 CA ASP A 68 -3.607 -12.064 -14.775 1.00 0.00 C ATOM 1062 C ASP A 68 -2.258 -11.353 -14.734 1.00 0.00 C ATOM 1063 O ASP A 68 -1.207 -11.984 -14.853 1.00 0.00 O ATOM 1064 CB ASP A 68 -4.366 -11.694 -16.055 1.00 0.00 C ATOM 1065 CG ASP A 68 -4.120 -10.262 -16.494 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -3.127 -10.025 -17.215 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -4.917 -9.378 -16.113 1.00 0.00 O ATOM 0 H ASP A 68 -5.294 -11.271 -13.819 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.425 -13.139 -14.770 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.069 -12.371 -16.856 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.434 -11.841 -15.894 1.00 0.00 H new ATOM 1072 N LYS A 69 -2.296 -10.035 -14.562 1.00 0.00 N ATOM 1073 CA LYS A 69 -1.079 -9.235 -14.505 1.00 0.00 C ATOM 1074 C LYS A 69 -0.420 -9.347 -13.134 1.00 0.00 C ATOM 1075 O LYS A 69 0.787 -9.147 -12.996 1.00 0.00 O ATOM 1076 CB LYS A 69 -1.393 -7.770 -14.816 1.00 0.00 C ATOM 1077 CG LYS A 69 -0.241 -7.028 -15.473 1.00 0.00 C ATOM 1078 CD LYS A 69 -0.699 -5.712 -16.082 1.00 0.00 C ATOM 1079 CE LYS A 69 -1.575 -4.928 -15.119 1.00 0.00 C ATOM 1080 NZ LYS A 69 -1.460 -3.459 -15.336 1.00 0.00 N ATOM 0 H LYS A 69 -3.158 -9.499 -14.460 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.385 -9.617 -15.254 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.264 -7.725 -15.470 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.662 -7.260 -13.891 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.538 -6.837 -14.735 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.201 -7.654 -16.248 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.170 -5.114 -16.354 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.251 -5.908 -17.001 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.614 -5.233 -15.242 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.292 -5.167 -14.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.072 -2.959 -14.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.473 -3.163 -15.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.754 -3.227 -16.306 1.00 0.00 H new ATOM 1094 N GLY A 70 -1.221 -9.670 -12.123 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.698 -9.806 -10.777 1.00 0.00 C ATOM 1096 C GLY A 70 -0.180 -8.495 -10.219 1.00 0.00 C ATOM 1097 O GLY A 70 1.003 -8.372 -9.899 1.00 0.00 O ATOM 0 H GLY A 70 -2.223 -9.840 -12.213 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.481 -10.191 -10.124 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.107 -10.541 -10.776 1.00 0.00 H new ATOM 1101 N ILE A 71 -1.068 -7.514 -10.099 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.691 -6.206 -9.575 1.00 0.00 C ATOM 1103 C ILE A 71 -1.853 -5.535 -8.852 1.00 0.00 C ATOM 1104 O ILE A 71 -2.944 -5.393 -9.404 1.00 0.00 O ATOM 1105 CB ILE A 71 -0.192 -5.264 -10.689 1.00 0.00 C ATOM 1106 CG1 ILE A 71 0.526 -6.057 -11.785 1.00 0.00 C ATOM 1107 CG2 ILE A 71 0.729 -4.203 -10.107 1.00 0.00 C ATOM 1108 CD1 ILE A 71 1.479 -5.221 -12.614 1.00 0.00 C ATOM 0 H ILE A 71 -2.051 -7.599 -10.357 1.00 0.00 H new ATOM 0 HA ILE A 71 0.120 -6.386 -8.869 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.054 -4.769 -11.136 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.080 -6.876 -11.326 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.218 -6.505 -12.444 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.074 -3.544 -10.904 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.187 -3.619 -9.363 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.587 -4.684 -9.637 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.951 -5.849 -13.370 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.928 -4.418 -13.103 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.245 -4.794 -11.967 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.605 -5.118 -7.615 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.625 -4.452 -6.816 1.00 0.00 C ATOM 1122 C PHE A 72 -2.276 -2.981 -6.618 1.00 0.00 C ATOM 1123 O PHE A 72 -1.350 -2.646 -5.877 1.00 0.00 O ATOM 1124 CB PHE A 72 -2.768 -5.146 -5.458 1.00 0.00 C ATOM 1125 CG PHE A 72 -3.577 -4.365 -4.463 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -4.720 -3.686 -4.855 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.194 -4.313 -3.133 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -5.466 -2.970 -3.938 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -3.935 -3.598 -2.212 1.00 0.00 C ATOM 1130 CZ PHE A 72 -5.072 -2.926 -2.614 1.00 0.00 C ATOM 0 H PHE A 72 -0.707 -5.230 -7.145 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.574 -4.514 -7.348 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.233 -6.121 -5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.775 -5.325 -5.045 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.031 -3.717 -5.889 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.306 -4.837 -2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.355 -2.446 -4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.625 -3.565 -1.178 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.653 -2.367 -1.895 1.00 0.00 H new ATOM 1140 N THR A 73 -3.022 -2.103 -7.283 1.00 0.00 N ATOM 1141 CA THR A 73 -2.789 -0.669 -7.177 1.00 0.00 C ATOM 1142 C THR A 73 -3.980 0.030 -6.536 1.00 0.00 C ATOM 1143 O THR A 73 -5.098 -0.037 -7.048 1.00 0.00 O ATOM 1144 CB THR A 73 -2.516 -0.033 -8.552 1.00 0.00 C ATOM 1145 OG1 THR A 73 -2.718 -0.975 -9.613 1.00 0.00 O ATOM 1146 CG2 THR A 73 -1.089 0.485 -8.635 1.00 0.00 C ATOM 0 H THR A 73 -3.792 -2.361 -7.900 1.00 0.00 H new ATOM 0 HA THR A 73 -1.908 -0.540 -6.549 1.00 0.00 H new ATOM 0 HB THR A 73 -3.218 0.793 -8.663 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.539 -0.542 -10.474 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.920 0.930 -9.616 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.930 1.238 -7.863 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.393 -0.341 -8.486 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.742 0.695 -5.410 1.00 0.00 N ATOM 1155 CA ILE A 74 -4.810 1.392 -4.708 1.00 0.00 C ATOM 1156 C ILE A 74 -4.424 2.827 -4.367 1.00 0.00 C ATOM 1157 O ILE A 74 -3.476 3.068 -3.621 1.00 0.00 O ATOM 1158 CB ILE A 74 -5.184 0.660 -3.406 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -6.300 1.407 -2.676 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -3.961 0.519 -2.511 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.640 0.706 -2.740 1.00 0.00 C ATOM 0 H ILE A 74 -2.825 0.765 -4.968 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.666 1.407 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.546 -0.337 -3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.016 1.537 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.400 2.404 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.239 -0.000 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.193 -0.052 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.574 1.508 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.384 1.293 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.946 0.600 -3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.557 -0.281 -2.284 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.180 3.776 -4.911 1.00 0.00 N ATOM 1174 CA ARG A 75 -4.939 5.193 -4.660 1.00 0.00 C ATOM 1175 C ARG A 75 -5.647 5.625 -3.383 1.00 0.00 C ATOM 1176 O ARG A 75 -6.744 5.153 -3.085 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.423 6.027 -5.847 1.00 0.00 C ATOM 1178 CG ARG A 75 -5.600 5.212 -7.119 1.00 0.00 C ATOM 1179 CD ARG A 75 -5.808 6.094 -8.340 1.00 0.00 C ATOM 1180 NE ARG A 75 -5.022 7.323 -8.279 1.00 0.00 N ATOM 1181 CZ ARG A 75 -5.364 8.444 -8.906 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -6.468 8.485 -9.641 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -4.601 9.523 -8.802 1.00 0.00 N ATOM 0 H ARG A 75 -5.968 3.588 -5.531 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.868 5.354 -4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.372 6.497 -5.589 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.710 6.830 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.722 4.584 -7.271 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.454 4.544 -7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.538 5.537 -9.237 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.865 6.346 -8.427 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.165 7.321 -7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.056 7.656 -9.725 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.729 9.346 -10.122 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.750 9.494 -8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.865 10.382 -9.284 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.009 6.507 -2.620 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.579 6.975 -1.364 1.00 0.00 C ATOM 1199 C LEU A 76 -5.598 8.501 -1.287 1.00 0.00 C ATOM 1200 O LEU A 76 -4.604 9.161 -1.568 1.00 0.00 O ATOM 1201 CB LEU A 76 -4.775 6.399 -0.196 1.00 0.00 C ATOM 1202 CG LEU A 76 -4.345 4.939 -0.364 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -3.275 4.574 0.654 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -5.547 4.015 -0.231 1.00 0.00 C ATOM 0 H LEU A 76 -4.101 6.910 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.612 6.631 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.884 7.010 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.371 6.484 0.713 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.922 4.816 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.983 3.533 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.405 5.216 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.669 4.712 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.226 2.981 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.996 4.142 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.281 4.260 -0.999 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.743 9.079 -0.896 1.00 0.00 N ATOM 1217 CA PRO A 77 -6.897 10.535 -0.773 1.00 0.00 C ATOM 1218 C PRO A 77 -6.005 11.121 0.320 1.00 0.00 C ATOM 1219 O PRO A 77 -5.655 10.442 1.289 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.377 10.708 -0.423 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.781 9.407 0.178 1.00 0.00 C ATOM 1222 CD PRO A 77 -7.974 8.360 -0.536 1.00 0.00 C ATOM 0 HA PRO A 77 -6.603 11.058 -1.683 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.524 11.530 0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.969 10.935 -1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.581 9.392 1.249 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.849 9.232 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.768 7.503 0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.493 7.982 -1.417 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.643 12.391 0.169 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.791 13.059 1.143 1.00 0.00 C ATOM 1232 C LYS A 78 -5.610 13.863 2.143 1.00 0.00 C ATOM 1233 O LYS A 78 -6.692 14.357 1.826 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.804 13.985 0.431 1.00 0.00 C ATOM 1235 CG LYS A 78 -2.945 13.281 -0.604 1.00 0.00 C ATOM 1236 CD LYS A 78 -1.473 13.608 -0.419 1.00 0.00 C ATOM 1237 CE LYS A 78 -0.608 12.365 -0.534 1.00 0.00 C ATOM 1238 NZ LYS A 78 0.758 12.684 -1.027 1.00 0.00 N ATOM 0 H LYS A 78 -5.926 12.976 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.246 12.288 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.358 14.788 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.155 14.450 1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.092 12.204 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.262 13.577 -1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.164 14.338 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.321 14.069 0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.538 11.880 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.082 11.654 -1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.946 12.149 -1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.827 13.703 -1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.458 12.424 -0.303 1.00 0.00 H new ATOM 1252 N GLU A 79 -5.073 14.003 3.349 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.732 14.760 4.402 1.00 0.00 C ATOM 1254 C GLU A 79 -5.407 16.245 4.263 1.00 0.00 C ATOM 1255 O GLU A 79 -6.056 17.096 4.873 1.00 0.00 O ATOM 1256 CB GLU A 79 -5.290 14.250 5.774 1.00 0.00 C ATOM 1257 CG GLU A 79 -5.899 15.014 6.937 1.00 0.00 C ATOM 1258 CD GLU A 79 -5.665 14.329 8.268 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -6.476 13.455 8.637 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -4.667 14.666 8.941 1.00 0.00 O ATOM 0 H GLU A 79 -4.177 13.599 3.621 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.810 14.626 4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.557 13.197 5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.204 14.310 5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.476 16.018 6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.971 15.125 6.773 1.00 0.00 H new ATOM 1267 N THR A 80 -4.398 16.544 3.449 1.00 0.00 N ATOM 1268 CA THR A 80 -3.975 17.918 3.210 1.00 0.00 C ATOM 1269 C THR A 80 -3.466 18.081 1.782 1.00 0.00 C ATOM 1270 O THR A 80 -2.390 17.593 1.435 1.00 0.00 O ATOM 1271 CB THR A 80 -2.868 18.345 4.193 1.00 0.00 C ATOM 1272 OG1 THR A 80 -3.343 18.353 5.545 1.00 0.00 O ATOM 1273 CG2 THR A 80 -2.350 19.734 3.855 1.00 0.00 C ATOM 0 H THR A 80 -3.855 15.846 2.941 1.00 0.00 H new ATOM 0 HA THR A 80 -4.845 18.556 3.364 1.00 0.00 H new ATOM 0 HB THR A 80 -2.063 17.616 4.099 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.618 18.626 6.145 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.569 20.013 4.563 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.941 19.734 2.845 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.168 20.452 3.915 1.00 0.00 H new ATOM 1281 N PRO A 81 -4.241 18.769 0.930 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.871 18.993 -0.471 1.00 0.00 C ATOM 1283 C PRO A 81 -2.460 19.550 -0.617 1.00 0.00 C ATOM 1284 O PRO A 81 -1.976 20.278 0.250 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.904 20.013 -0.951 1.00 0.00 C ATOM 1286 CG PRO A 81 -6.086 19.803 -0.067 1.00 0.00 C ATOM 1287 CD PRO A 81 -5.538 19.377 1.268 1.00 0.00 C ATOM 0 HA PRO A 81 -3.869 18.067 -1.046 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.523 21.031 -0.867 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.160 19.854 -1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.671 20.718 0.026 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.749 19.041 -0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.420 20.225 1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.198 18.665 1.764 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.802 19.204 -1.720 1.00 0.00 N ATOM 1296 CA GLY A 82 -0.453 19.680 -1.960 1.00 0.00 C ATOM 1297 C GLY A 82 0.595 18.853 -1.239 1.00 0.00 C ATOM 1298 O GLY A 82 1.792 19.110 -1.366 1.00 0.00 O ATOM 0 H GLY A 82 -2.180 18.602 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.251 19.662 -3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.376 20.718 -1.638 1.00 0.00 H new ATOM 1302 N GLN A 83 0.143 17.859 -0.482 1.00 0.00 N ATOM 1303 CA GLN A 83 1.050 16.992 0.264 1.00 0.00 C ATOM 1304 C GLN A 83 1.668 15.936 -0.652 1.00 0.00 C ATOM 1305 O GLN A 83 0.967 15.280 -1.421 1.00 0.00 O ATOM 1306 CB GLN A 83 0.303 16.326 1.426 1.00 0.00 C ATOM 1307 CG GLN A 83 0.865 14.973 1.833 1.00 0.00 C ATOM 1308 CD GLN A 83 2.207 15.083 2.530 1.00 0.00 C ATOM 1309 OE1 GLN A 83 3.234 14.663 1.994 1.00 0.00 O ATOM 1310 NE2 GLN A 83 2.206 15.648 3.731 1.00 0.00 N ATOM 0 H GLN A 83 -0.845 17.633 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 83 1.858 17.602 0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.328 16.992 2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.744 16.204 1.148 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.157 14.474 2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.970 14.346 0.947 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.332 15.982 4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.079 15.748 4.248 1.00 0.00 H new ATOM 1319 N HIS A 84 2.986 15.782 -0.565 1.00 0.00 N ATOM 1320 CA HIS A 84 3.700 14.812 -1.388 1.00 0.00 C ATOM 1321 C HIS A 84 4.563 13.893 -0.528 1.00 0.00 C ATOM 1322 O HIS A 84 5.466 14.352 0.173 1.00 0.00 O ATOM 1323 CB HIS A 84 4.574 15.536 -2.415 1.00 0.00 C ATOM 1324 CG HIS A 84 5.452 14.623 -3.216 1.00 0.00 C ATOM 1325 ND1 HIS A 84 6.389 13.783 -2.647 1.00 0.00 N ATOM 1326 CD2 HIS A 84 5.535 14.424 -4.553 1.00 0.00 C ATOM 1327 CE1 HIS A 84 7.007 13.108 -3.600 1.00 0.00 C ATOM 1328 NE2 HIS A 84 6.508 13.478 -4.764 1.00 0.00 N ATOM 0 H HIS A 84 3.581 16.317 0.068 1.00 0.00 H new ATOM 0 HA HIS A 84 2.962 14.201 -1.909 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.931 16.095 -3.095 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.199 16.263 -1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.946 14.917 -5.312 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.788 12.377 -3.451 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.798 13.119 -5.674 1.00 0.00 H new ATOM 1337 N PHE A 85 4.290 12.594 -0.594 1.00 0.00 N ATOM 1338 CA PHE A 85 5.050 11.614 0.169 1.00 0.00 C ATOM 1339 C PHE A 85 6.400 11.361 -0.495 1.00 0.00 C ATOM 1340 O PHE A 85 6.524 10.503 -1.368 1.00 0.00 O ATOM 1341 CB PHE A 85 4.266 10.307 0.276 1.00 0.00 C ATOM 1342 CG PHE A 85 3.009 10.417 1.089 1.00 0.00 C ATOM 1343 CD1 PHE A 85 2.601 11.637 1.604 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.232 9.297 1.337 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.443 11.737 2.352 1.00 0.00 C ATOM 1346 CE2 PHE A 85 1.073 9.390 2.083 1.00 0.00 C ATOM 1347 CZ PHE A 85 0.678 10.611 2.591 1.00 0.00 C ATOM 0 H PHE A 85 3.547 12.197 -1.169 1.00 0.00 H new ATOM 0 HA PHE A 85 5.219 12.007 1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.010 9.965 -0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.908 9.545 0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.195 12.520 1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.536 8.339 0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.136 12.693 2.749 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.477 8.509 2.268 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.228 10.686 3.174 1.00 0.00 H new ATOM 1357 N GLU A 86 7.404 12.130 -0.088 1.00 0.00 N ATOM 1358 CA GLU A 86 8.746 12.012 -0.652 1.00 0.00 C ATOM 1359 C GLU A 86 9.469 10.757 -0.165 1.00 0.00 C ATOM 1360 O GLU A 86 8.986 10.040 0.711 1.00 0.00 O ATOM 1361 CB GLU A 86 9.573 13.251 -0.303 1.00 0.00 C ATOM 1362 CG GLU A 86 9.545 14.326 -1.377 1.00 0.00 C ATOM 1363 CD GLU A 86 10.925 14.652 -1.913 1.00 0.00 C ATOM 1364 OE1 GLU A 86 11.919 14.353 -1.218 1.00 0.00 O ATOM 1365 OE2 GLU A 86 11.012 15.205 -3.030 1.00 0.00 O ATOM 0 H GLU A 86 7.314 12.845 0.634 1.00 0.00 H new ATOM 0 HA GLU A 86 8.636 11.932 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.202 13.673 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.606 12.950 -0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.909 13.997 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.095 15.231 -0.968 1.00 0.00 H new ATOM 1372 N GLY A 87 10.643 10.520 -0.743 1.00 0.00 N ATOM 1373 CA GLY A 87 11.462 9.376 -0.379 1.00 0.00 C ATOM 1374 C GLY A 87 10.662 8.139 -0.010 1.00 0.00 C ATOM 1375 O GLY A 87 11.043 7.405 0.901 1.00 0.00 O ATOM 0 H GLY A 87 11.047 11.111 -1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.122 9.135 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.098 9.650 0.463 1.00 0.00 H new ATOM 1379 N LEU A 88 9.557 7.900 -0.706 1.00 0.00 N ATOM 1380 CA LEU A 88 8.728 6.734 -0.419 1.00 0.00 C ATOM 1381 C LEU A 88 9.515 5.446 -0.632 1.00 0.00 C ATOM 1382 O LEU A 88 9.751 4.693 0.314 1.00 0.00 O ATOM 1383 CB LEU A 88 7.492 6.736 -1.308 1.00 0.00 C ATOM 1384 CG LEU A 88 6.335 7.599 -0.806 1.00 0.00 C ATOM 1385 CD1 LEU A 88 5.285 7.770 -1.893 1.00 0.00 C ATOM 1386 CD2 LEU A 88 5.717 6.984 0.441 1.00 0.00 C ATOM 0 H LEU A 88 9.216 8.490 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 88 8.419 6.785 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.778 7.081 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.140 5.710 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 88 6.725 8.584 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.469 8.387 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.735 8.252 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.897 6.793 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.894 7.610 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.341 5.988 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.472 6.913 1.224 1.00 0.00 H new ATOM 1398 N ASN A 89 9.936 5.192 -1.872 1.00 0.00 N ATOM 1399 CA ASN A 89 10.708 3.995 -2.181 1.00 0.00 C ATOM 1400 C ASN A 89 12.191 4.237 -1.914 1.00 0.00 C ATOM 1401 O ASN A 89 13.035 3.391 -2.208 1.00 0.00 O ATOM 1402 CB ASN A 89 10.498 3.581 -3.640 1.00 0.00 C ATOM 1403 CG ASN A 89 10.207 2.100 -3.785 1.00 0.00 C ATOM 1404 OD1 ASN A 89 10.858 1.401 -4.562 1.00 0.00 O ATOM 1405 ND2 ASN A 89 9.224 1.612 -3.036 1.00 0.00 N ATOM 0 H ASN A 89 9.755 5.798 -2.672 1.00 0.00 H new ATOM 0 HA ASN A 89 10.361 3.187 -1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.672 4.154 -4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.388 3.832 -4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.983 0.622 -3.092 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.710 2.227 -2.405 1.00 0.00 H new ATOM 1412 N MET A 90 12.490 5.390 -1.323 1.00 0.00 N ATOM 1413 CA MET A 90 13.855 5.751 -0.974 1.00 0.00 C ATOM 1414 C MET A 90 13.991 5.786 0.542 1.00 0.00 C ATOM 1415 O MET A 90 14.952 6.331 1.086 1.00 0.00 O ATOM 1416 CB MET A 90 14.224 7.112 -1.568 1.00 0.00 C ATOM 1417 CG MET A 90 14.573 7.057 -3.048 1.00 0.00 C ATOM 1418 SD MET A 90 14.163 8.582 -3.916 1.00 0.00 S ATOM 1419 CE MET A 90 15.768 9.048 -4.561 1.00 0.00 C ATOM 0 H MET A 90 11.796 6.095 -1.075 1.00 0.00 H new ATOM 0 HA MET A 90 14.536 5.007 -1.386 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.390 7.799 -1.425 1.00 0.00 H new ATOM 0 HB3 MET A 90 15.072 7.521 -1.018 1.00 0.00 H new ATOM 0 HG2 MET A 90 15.639 6.856 -3.159 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.042 6.226 -3.512 1.00 0.00 H new ATOM 0 HE1 MET A 90 15.678 9.977 -5.125 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.465 9.191 -3.735 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.139 8.260 -5.217 1.00 0.00 H new ATOM 1429 N LEU A 91 13.006 5.193 1.213 1.00 0.00 N ATOM 1430 CA LEU A 91 12.972 5.134 2.663 1.00 0.00 C ATOM 1431 C LEU A 91 13.530 3.799 3.148 1.00 0.00 C ATOM 1432 O LEU A 91 13.874 2.937 2.339 1.00 0.00 O ATOM 1433 CB LEU A 91 11.529 5.315 3.144 1.00 0.00 C ATOM 1434 CG LEU A 91 11.233 6.644 3.840 1.00 0.00 C ATOM 1435 CD1 LEU A 91 9.860 6.610 4.491 1.00 0.00 C ATOM 1436 CD2 LEU A 91 12.306 6.961 4.869 1.00 0.00 C ATOM 0 H LEU A 91 12.211 4.741 0.762 1.00 0.00 H new ATOM 0 HA LEU A 91 13.589 5.933 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.863 5.217 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.288 4.503 3.830 1.00 0.00 H new ATOM 0 HG LEU A 91 11.238 7.433 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.666 7.564 4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.101 6.433 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 91 9.827 5.809 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 91 12.077 7.910 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.337 6.170 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.275 7.030 4.375 1.00 0.00 H new ATOM 1448 N THR A 92 13.613 3.623 4.462 1.00 0.00 N ATOM 1449 CA THR A 92 14.124 2.379 5.024 1.00 0.00 C ATOM 1450 C THR A 92 13.011 1.598 5.712 1.00 0.00 C ATOM 1451 O THR A 92 11.885 2.080 5.830 1.00 0.00 O ATOM 1452 CB THR A 92 15.265 2.634 6.028 1.00 0.00 C ATOM 1453 OG1 THR A 92 15.581 1.448 6.769 1.00 0.00 O ATOM 1454 CG2 THR A 92 14.893 3.731 7.013 1.00 0.00 C ATOM 0 H THR A 92 13.335 4.320 5.153 1.00 0.00 H new ATOM 0 HA THR A 92 14.518 1.793 4.194 1.00 0.00 H new ATOM 0 HB THR A 92 16.133 2.942 5.445 1.00 0.00 H new ATOM 0 HG1 THR A 92 16.309 1.639 7.397 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.717 3.889 7.709 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.694 4.655 6.470 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.002 3.436 7.567 1.00 0.00 H new ATOM 1462 N ALA A 93 13.327 0.387 6.157 1.00 0.00 N ATOM 1463 CA ALA A 93 12.343 -0.458 6.823 1.00 0.00 C ATOM 1464 C ALA A 93 12.432 -0.326 8.340 1.00 0.00 C ATOM 1465 O ALA A 93 13.437 -0.695 8.947 1.00 0.00 O ATOM 1466 CB ALA A 93 12.515 -1.912 6.414 1.00 0.00 C ATOM 0 H ALA A 93 14.254 -0.030 6.069 1.00 0.00 H new ATOM 0 HA ALA A 93 11.356 -0.119 6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.770 -2.524 6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.385 -2.004 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.513 -2.252 6.689 1.00 0.00 H new ATOM 1472 N LEU A 94 11.367 0.187 8.948 1.00 0.00 N ATOM 1473 CA LEU A 94 11.318 0.350 10.396 1.00 0.00 C ATOM 1474 C LEU A 94 10.446 -0.731 11.023 1.00 0.00 C ATOM 1475 O LEU A 94 9.231 -0.758 10.819 1.00 0.00 O ATOM 1476 CB LEU A 94 10.779 1.733 10.769 1.00 0.00 C ATOM 1477 CG LEU A 94 10.367 2.616 9.591 1.00 0.00 C ATOM 1478 CD1 LEU A 94 9.604 3.837 10.084 1.00 0.00 C ATOM 1479 CD2 LEU A 94 11.589 3.036 8.788 1.00 0.00 C ATOM 0 H LEU A 94 10.527 0.497 8.460 1.00 0.00 H new ATOM 0 HA LEU A 94 12.333 0.256 10.781 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.917 1.604 11.423 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.541 2.258 11.345 1.00 0.00 H new ATOM 0 HG LEU A 94 9.710 2.040 8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.318 4.455 9.233 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.709 3.516 10.617 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.238 4.415 10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.278 3.664 7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 94 12.271 3.596 9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 94 12.096 2.150 8.406 1.00 0.00 H new ATOM 1491 N LEU A 95 11.070 -1.626 11.778 1.00 0.00 N ATOM 1492 CA LEU A 95 10.347 -2.714 12.423 1.00 0.00 C ATOM 1493 C LEU A 95 9.941 -2.342 13.844 1.00 0.00 C ATOM 1494 O LEU A 95 10.685 -1.668 14.558 1.00 0.00 O ATOM 1495 CB LEU A 95 11.201 -3.980 12.436 1.00 0.00 C ATOM 1496 CG LEU A 95 10.941 -4.941 11.274 1.00 0.00 C ATOM 1497 CD1 LEU A 95 11.357 -4.307 9.955 1.00 0.00 C ATOM 1498 CD2 LEU A 95 11.675 -6.256 11.493 1.00 0.00 C ATOM 0 H LEU A 95 12.074 -1.620 11.959 1.00 0.00 H new ATOM 0 HA LEU A 95 9.439 -2.900 11.850 1.00 0.00 H new ATOM 0 HB2 LEU A 95 12.252 -3.692 12.423 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.027 -4.509 13.373 1.00 0.00 H new ATOM 0 HG LEU A 95 9.872 -5.150 11.232 1.00 0.00 H new ATOM 0 HD11 LEU A 95 11.165 -5.004 9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.784 -3.394 9.794 1.00 0.00 H new ATOM 0 HD13 LEU A 95 12.420 -4.068 9.985 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.478 -6.926 10.656 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.746 -6.068 11.562 1.00 0.00 H new ATOM 0 HD23 LEU A 95 11.327 -6.717 12.417 1.00 0.00 H new ATOM 1510 N ALA A 96 8.754 -2.785 14.247 1.00 0.00 N ATOM 1511 CA ALA A 96 8.243 -2.502 15.581 1.00 0.00 C ATOM 1512 C ALA A 96 7.730 -1.069 15.674 1.00 0.00 C ATOM 1513 O ALA A 96 7.434 -0.619 16.802 1.00 0.00 O ATOM 1514 CB ALA A 96 9.311 -2.750 16.637 1.00 0.00 C ATOM 1515 OXT ALA A 96 7.628 -0.408 14.620 1.00 0.00 O ATOM 0 H ALA A 96 8.128 -3.343 13.666 1.00 0.00 H new ATOM 0 HA ALA A 96 7.410 -3.180 15.769 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.904 -2.531 17.624 1.00 0.00 H new ATOM 0 HB2 ALA A 96 9.627 -3.793 16.597 1.00 0.00 H new ATOM 0 HB3 ALA A 96 10.168 -2.104 16.447 1.00 0.00 H new TER 1521 ALA A 96