USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 389 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 Single : A 1 MET CE :methyl 156:sc= -0.123 (180deg=-0.975) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -67:sc= 0.92 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 29 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.22) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 80:sc= 1.12 USER MOD Single : A 38 SER OG : rot 82:sc= 0.542 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 0.877 K(o=0.88,f=-7!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.045 -21.711 -10.199 1.00 1.00 N ATOM 2 CA MET A 1 32.784 -22.652 -11.329 1.00 1.00 C ATOM 3 C MET A 1 32.265 -21.870 -12.532 1.00 1.00 C ATOM 4 O MET A 1 32.926 -21.799 -13.568 1.00 1.00 O ATOM 5 CB MET A 1 31.750 -23.700 -10.900 1.00 1.00 C ATOM 6 CG MET A 1 31.588 -24.744 -12.010 1.00 1.00 C ATOM 7 SD MET A 1 30.414 -26.022 -11.482 1.00 1.00 S ATOM 8 CE MET A 1 28.920 -24.997 -11.469 1.00 1.00 C ATOM 0 H1 MET A 1 33.399 -22.243 -9.379 1.00 1.00 H new ATOM 0 H2 MET A 1 33.756 -21.009 -10.489 1.00 1.00 H new ATOM 0 H3 MET A 1 32.163 -21.224 -9.942 1.00 1.00 H new ATOM 0 HA MET A 1 33.710 -23.158 -11.602 1.00 1.00 H new ATOM 0 HB2 MET A 1 32.068 -24.183 -9.976 1.00 1.00 H new ATOM 0 HB3 MET A 1 30.793 -23.220 -10.696 1.00 1.00 H new ATOM 0 HG2 MET A 1 31.233 -24.266 -12.923 1.00 1.00 H new ATOM 0 HG3 MET A 1 32.553 -25.196 -12.241 1.00 1.00 H new ATOM 0 HE1 MET A 1 28.042 -25.632 -11.591 1.00 1.00 H new ATOM 0 HE2 MET A 1 28.853 -24.463 -10.521 1.00 1.00 H new ATOM 0 HE3 MET A 1 28.965 -24.278 -12.287 1.00 1.00 H new ATOM 20 N ALA A 2 31.074 -21.291 -12.394 1.00 1.00 N ATOM 21 CA ALA A 2 30.478 -20.526 -13.488 1.00 1.00 C ATOM 22 C ALA A 2 29.795 -19.263 -12.975 1.00 1.00 C ATOM 23 O ALA A 2 29.386 -19.188 -11.816 1.00 1.00 O ATOM 24 CB ALA A 2 29.457 -21.384 -14.234 1.00 1.00 C ATOM 0 H ALA A 2 30.508 -21.335 -11.547 1.00 1.00 H new ATOM 0 HA ALA A 2 31.282 -20.235 -14.165 1.00 1.00 H new ATOM 0 HB1 ALA A 2 29.019 -20.804 -15.047 1.00 1.00 H new ATOM 0 HB2 ALA A 2 29.951 -22.265 -14.642 1.00 1.00 H new ATOM 0 HB3 ALA A 2 28.671 -21.695 -13.546 1.00 1.00 H new ATOM 30 N GLU A 3 29.675 -18.274 -13.857 1.00 1.00 N ATOM 31 CA GLU A 3 29.040 -17.012 -13.508 1.00 1.00 C ATOM 32 C GLU A 3 27.558 -17.233 -13.207 1.00 1.00 C ATOM 33 O GLU A 3 26.900 -18.040 -13.860 1.00 1.00 O ATOM 34 CB GLU A 3 29.198 -16.025 -14.669 1.00 1.00 C ATOM 35 CG GLU A 3 28.620 -14.665 -14.279 1.00 1.00 C ATOM 36 CD GLU A 3 28.831 -13.660 -15.408 1.00 1.00 C ATOM 37 OE1 GLU A 3 29.188 -14.086 -16.495 1.00 1.00 O ATOM 38 OE2 GLU A 3 28.632 -12.480 -15.170 1.00 1.00 O ATOM 0 H GLU A 3 30.010 -18.325 -14.819 1.00 1.00 H new ATOM 0 HA GLU A 3 29.518 -16.603 -12.618 1.00 1.00 H new ATOM 0 HB2 GLU A 3 30.252 -15.921 -14.928 1.00 1.00 H new ATOM 0 HB3 GLU A 3 28.688 -16.406 -15.554 1.00 1.00 H new ATOM 0 HG2 GLU A 3 27.556 -14.762 -14.063 1.00 1.00 H new ATOM 0 HG3 GLU A 3 29.099 -14.306 -13.368 1.00 1.00 H new ATOM 45 N ALA A 4 27.044 -16.524 -12.210 1.00 1.00 N ATOM 46 CA ALA A 4 25.640 -16.666 -11.831 1.00 1.00 C ATOM 47 C ALA A 4 25.017 -15.301 -11.552 1.00 1.00 C ATOM 48 O ALA A 4 25.689 -14.384 -11.082 1.00 1.00 O ATOM 49 CB ALA A 4 25.521 -17.558 -10.592 1.00 1.00 C ATOM 0 H ALA A 4 27.570 -15.851 -11.653 1.00 1.00 H new ATOM 0 HA ALA A 4 25.103 -17.128 -12.659 1.00 1.00 H new ATOM 0 HB1 ALA A 4 24.471 -17.659 -10.316 1.00 1.00 H new ATOM 0 HB2 ALA A 4 25.935 -18.542 -10.811 1.00 1.00 H new ATOM 0 HB3 ALA A 4 26.072 -17.109 -9.766 1.00 1.00 H new ATOM 55 N HIS A 5 23.727 -15.175 -11.851 1.00 1.00 N ATOM 56 CA HIS A 5 23.024 -13.914 -11.636 1.00 1.00 C ATOM 57 C HIS A 5 22.941 -13.586 -10.148 1.00 1.00 C ATOM 58 O HIS A 5 23.136 -12.438 -9.745 1.00 1.00 O ATOM 59 CB HIS A 5 21.613 -14.003 -12.220 1.00 1.00 C ATOM 60 CG HIS A 5 21.689 -14.048 -13.723 1.00 1.00 C ATOM 61 ND1 HIS A 5 21.857 -12.903 -14.488 1.00 1.00 N ATOM 62 CD2 HIS A 5 21.613 -15.088 -14.617 1.00 1.00 C ATOM 63 CE1 HIS A 5 21.877 -13.277 -15.778 1.00 1.00 C ATOM 64 NE2 HIS A 5 21.733 -14.599 -15.914 1.00 1.00 N ATOM 0 H HIS A 5 23.152 -15.923 -12.239 1.00 1.00 H new ATOM 0 HA HIS A 5 23.579 -13.121 -12.136 1.00 1.00 H new ATOM 0 HB2 HIS A 5 21.109 -14.894 -11.845 1.00 1.00 H new ATOM 0 HB3 HIS A 5 21.022 -13.144 -11.901 1.00 1.00 H new ATOM 0 HD2 HIS A 5 21.480 -16.127 -14.353 1.00 1.00 H new ATOM 0 HE1 HIS A 5 21.995 -12.593 -16.605 1.00 1.00 H new ATOM 0 HE2 HIS A 5 21.715 -15.134 -16.782 1.00 1.00 H new ATOM 72 N GLN A 6 22.661 -14.598 -9.332 1.00 1.00 N ATOM 73 CA GLN A 6 22.570 -14.391 -7.893 1.00 1.00 C ATOM 74 C GLN A 6 23.923 -13.965 -7.343 1.00 1.00 C ATOM 75 O GLN A 6 24.015 -13.068 -6.505 1.00 1.00 O ATOM 76 CB GLN A 6 22.127 -15.681 -7.200 1.00 1.00 C ATOM 77 CG GLN A 6 20.668 -15.983 -7.547 1.00 1.00 C ATOM 78 CD GLN A 6 20.240 -17.291 -6.890 1.00 1.00 C ATOM 79 OE1 GLN A 6 21.017 -17.899 -6.153 1.00 1.00 O ATOM 80 NE2 GLN A 6 19.038 -17.755 -7.101 1.00 1.00 N ATOM 0 H GLN A 6 22.495 -15.557 -9.638 1.00 1.00 H new ATOM 0 HA GLN A 6 21.836 -13.609 -7.701 1.00 1.00 H new ATOM 0 HB2 GLN A 6 22.763 -16.509 -7.512 1.00 1.00 H new ATOM 0 HB3 GLN A 6 22.240 -15.582 -6.120 1.00 1.00 H new ATOM 0 HG2 GLN A 6 20.028 -15.169 -7.208 1.00 1.00 H new ATOM 0 HG3 GLN A 6 20.549 -16.053 -8.628 1.00 1.00 H new ATOM 0 HE21 GLN A 6 18.396 -17.250 -7.712 1.00 1.00 H new ATOM 0 HE22 GLN A 6 18.741 -18.623 -6.655 1.00 1.00 H new ATOM 89 N ALA A 7 24.970 -14.613 -7.833 1.00 1.00 N ATOM 90 CA ALA A 7 26.324 -14.301 -7.403 1.00 1.00 C ATOM 91 C ALA A 7 26.702 -12.881 -7.815 1.00 1.00 C ATOM 92 O ALA A 7 27.363 -12.163 -7.066 1.00 1.00 O ATOM 93 CB ALA A 7 27.298 -15.303 -8.023 1.00 1.00 C ATOM 0 H ALA A 7 24.907 -15.357 -8.528 1.00 1.00 H new ATOM 0 HA ALA A 7 26.376 -14.369 -6.316 1.00 1.00 H new ATOM 0 HB1 ALA A 7 28.313 -15.070 -7.702 1.00 1.00 H new ATOM 0 HB2 ALA A 7 27.037 -16.311 -7.700 1.00 1.00 H new ATOM 0 HB3 ALA A 7 27.239 -15.243 -9.110 1.00 1.00 H new ATOM 99 N VAL A 8 26.270 -12.481 -9.007 1.00 1.00 N ATOM 100 CA VAL A 8 26.562 -11.140 -9.506 1.00 1.00 C ATOM 101 C VAL A 8 25.917 -10.094 -8.611 1.00 1.00 C ATOM 102 O VAL A 8 26.541 -9.094 -8.254 1.00 1.00 O ATOM 103 CB VAL A 8 26.036 -10.985 -10.933 1.00 1.00 C ATOM 104 CG1 VAL A 8 26.168 -9.524 -11.370 1.00 1.00 C ATOM 105 CG2 VAL A 8 26.851 -11.876 -11.867 1.00 1.00 C ATOM 0 H VAL A 8 25.721 -13.061 -9.642 1.00 1.00 H new ATOM 0 HA VAL A 8 27.642 -10.996 -9.503 1.00 1.00 H new ATOM 0 HB VAL A 8 24.987 -11.278 -10.972 1.00 1.00 H new ATOM 0 HG11 VAL A 8 25.793 -9.413 -12.387 1.00 1.00 H new ATOM 0 HG12 VAL A 8 25.589 -8.890 -10.699 1.00 1.00 H new ATOM 0 HG13 VAL A 8 27.216 -9.227 -11.335 1.00 1.00 H new ATOM 0 HG21 VAL A 8 26.480 -11.770 -12.887 1.00 1.00 H new ATOM 0 HG22 VAL A 8 27.899 -11.580 -11.829 1.00 1.00 H new ATOM 0 HG23 VAL A 8 26.756 -12.915 -11.553 1.00 1.00 H new ATOM 115 N GLY A 9 24.661 -10.335 -8.254 1.00 1.00 N ATOM 116 CA GLY A 9 23.929 -9.411 -7.399 1.00 1.00 C ATOM 117 C GLY A 9 23.361 -8.253 -8.204 1.00 1.00 C ATOM 118 O GLY A 9 23.594 -8.148 -9.409 1.00 1.00 O ATOM 0 H GLY A 9 24.131 -11.158 -8.542 1.00 1.00 H new ATOM 0 HA2 GLY A 9 23.119 -9.940 -6.896 1.00 1.00 H new ATOM 0 HA3 GLY A 9 24.591 -9.028 -6.622 1.00 1.00 H new ATOM 122 N PHE A 10 22.622 -7.383 -7.523 1.00 1.00 N ATOM 123 CA PHE A 10 22.022 -6.230 -8.175 1.00 1.00 C ATOM 124 C PHE A 10 22.716 -4.951 -7.733 1.00 1.00 C ATOM 125 O PHE A 10 23.071 -4.799 -6.565 1.00 1.00 O ATOM 126 CB PHE A 10 20.537 -6.148 -7.824 1.00 1.00 C ATOM 127 CG PHE A 10 19.800 -7.240 -8.554 1.00 1.00 C ATOM 128 CD1 PHE A 10 19.319 -7.016 -9.847 1.00 1.00 C ATOM 129 CD2 PHE A 10 19.609 -8.482 -7.940 1.00 1.00 C ATOM 130 CE1 PHE A 10 18.645 -8.036 -10.529 1.00 1.00 C ATOM 131 CE2 PHE A 10 18.934 -9.502 -8.621 1.00 1.00 C ATOM 132 CZ PHE A 10 18.453 -9.277 -9.915 1.00 1.00 C ATOM 0 H PHE A 10 22.426 -7.456 -6.525 1.00 1.00 H new ATOM 0 HA PHE A 10 22.136 -6.343 -9.253 1.00 1.00 H new ATOM 0 HB2 PHE A 10 20.398 -6.254 -6.748 1.00 1.00 H new ATOM 0 HB3 PHE A 10 20.138 -5.173 -8.102 1.00 1.00 H new ATOM 0 HD1 PHE A 10 19.467 -6.056 -10.320 1.00 1.00 H new ATOM 0 HD2 PHE A 10 19.982 -8.654 -6.941 1.00 1.00 H new ATOM 0 HE1 PHE A 10 18.274 -7.864 -11.529 1.00 1.00 H new ATOM 0 HE2 PHE A 10 18.785 -10.461 -8.148 1.00 1.00 H new ATOM 0 HZ PHE A 10 17.932 -10.064 -10.441 1.00 1.00 H new ATOM 142 N ARG A 11 22.900 -4.034 -8.672 1.00 1.00 N ATOM 143 CA ARG A 11 23.550 -2.770 -8.365 1.00 1.00 C ATOM 144 C ARG A 11 23.413 -1.801 -9.531 1.00 1.00 C ATOM 145 O ARG A 11 24.376 -1.538 -10.250 1.00 1.00 O ATOM 146 CB ARG A 11 25.030 -2.998 -8.054 1.00 1.00 C ATOM 147 CG ARG A 11 25.568 -1.792 -7.286 1.00 1.00 C ATOM 148 CD ARG A 11 27.022 -2.037 -6.893 1.00 1.00 C ATOM 149 NE ARG A 11 27.864 -0.972 -7.419 1.00 1.00 N ATOM 150 CZ ARG A 11 29.185 -1.037 -7.330 1.00 1.00 C ATOM 151 NH1 ARG A 11 29.750 -2.084 -6.794 1.00 1.00 N ATOM 152 NH2 ARG A 11 29.918 -0.061 -7.791 1.00 1.00 N ATOM 0 H ARG A 11 22.611 -4.141 -9.644 1.00 1.00 H new ATOM 0 HA ARG A 11 23.063 -2.338 -7.490 1.00 1.00 H new ATOM 0 HB2 ARG A 11 25.155 -3.906 -7.465 1.00 1.00 H new ATOM 0 HB3 ARG A 11 25.592 -3.137 -8.978 1.00 1.00 H new ATOM 0 HG2 ARG A 11 25.494 -0.895 -7.901 1.00 1.00 H new ATOM 0 HG3 ARG A 11 24.965 -1.618 -6.395 1.00 1.00 H new ATOM 0 HD2 ARG A 11 27.112 -2.081 -5.808 1.00 1.00 H new ATOM 0 HD3 ARG A 11 27.355 -3.000 -7.280 1.00 1.00 H new ATOM 0 HE ARG A 11 27.430 -0.163 -7.863 1.00 1.00 H new ATOM 0 HH11 ARG A 11 29.175 -2.851 -6.444 1.00 1.00 H new ATOM 0 HH12 ARG A 11 30.766 -2.136 -6.725 1.00 1.00 H new ATOM 0 HH21 ARG A 11 29.475 0.751 -8.220 1.00 1.00 H new ATOM 0 HH22 ARG A 11 30.935 -0.110 -7.723 1.00 1.00 H new ATOM 166 N PRO A 12 22.239 -1.269 -9.722 1.00 1.00 N ATOM 167 CA PRO A 12 21.966 -0.301 -10.822 1.00 1.00 C ATOM 168 C PRO A 12 22.847 0.938 -10.729 1.00 1.00 C ATOM 169 O PRO A 12 23.162 1.417 -9.638 1.00 1.00 O ATOM 170 CB PRO A 12 20.497 0.087 -10.626 1.00 1.00 C ATOM 171 CG PRO A 12 19.903 -0.979 -9.760 1.00 1.00 C ATOM 172 CD PRO A 12 21.043 -1.549 -8.921 1.00 1.00 C ATOM 0 HA PRO A 12 22.174 -0.740 -11.798 1.00 1.00 H new ATOM 0 HB2 PRO A 12 20.411 1.066 -10.155 1.00 1.00 H new ATOM 0 HB3 PRO A 12 19.978 0.147 -11.583 1.00 1.00 H new ATOM 0 HG2 PRO A 12 19.121 -0.568 -9.122 1.00 1.00 H new ATOM 0 HG3 PRO A 12 19.442 -1.758 -10.367 1.00 1.00 H new ATOM 0 HD2 PRO A 12 21.096 -1.073 -7.942 1.00 1.00 H new ATOM 0 HD3 PRO A 12 20.918 -2.618 -8.749 1.00 1.00 H new ATOM 180 N SER A 13 23.245 1.444 -11.889 1.00 1.00 N ATOM 181 CA SER A 13 24.099 2.620 -11.946 1.00 1.00 C ATOM 182 C SER A 13 23.359 3.849 -11.432 1.00 1.00 C ATOM 183 O SER A 13 23.983 4.829 -11.030 1.00 1.00 O ATOM 184 CB SER A 13 24.559 2.863 -13.381 1.00 1.00 C ATOM 185 OG SER A 13 23.424 3.077 -14.212 1.00 1.00 O ATOM 0 H SER A 13 22.991 1.059 -12.799 1.00 1.00 H new ATOM 0 HA SER A 13 24.967 2.443 -11.311 1.00 1.00 H new ATOM 0 HB2 SER A 13 25.221 3.728 -13.421 1.00 1.00 H new ATOM 0 HB3 SER A 13 25.131 2.008 -13.741 1.00 1.00 H new ATOM 0 HG SER A 13 23.718 3.235 -15.133 1.00 1.00 H new ATOM 191 N LEU A 14 22.030 3.796 -11.442 1.00 1.00 N ATOM 192 CA LEU A 14 21.247 4.927 -10.966 1.00 1.00 C ATOM 193 C LEU A 14 21.308 5.016 -9.450 1.00 1.00 C ATOM 194 O LEU A 14 21.265 4.003 -8.753 1.00 1.00 O ATOM 195 CB LEU A 14 19.785 4.805 -11.408 1.00 1.00 C ATOM 196 CG LEU A 14 19.676 5.008 -12.923 1.00 1.00 C ATOM 197 CD1 LEU A 14 18.250 4.691 -13.374 1.00 1.00 C ATOM 198 CD2 LEU A 14 20.017 6.461 -13.290 1.00 1.00 C ATOM 0 H LEU A 14 21.484 2.999 -11.768 1.00 1.00 H new ATOM 0 HA LEU A 14 21.673 5.832 -11.399 1.00 1.00 H new ATOM 0 HB2 LEU A 14 19.395 3.824 -11.135 1.00 1.00 H new ATOM 0 HB3 LEU A 14 19.177 5.546 -10.889 1.00 1.00 H new ATOM 0 HG LEU A 14 20.379 4.342 -13.423 1.00 1.00 H new ATOM 0 HD11 LEU A 14 18.169 4.834 -14.451 1.00 1.00 H new ATOM 0 HD12 LEU A 14 18.012 3.657 -13.127 1.00 1.00 H new ATOM 0 HD13 LEU A 14 17.551 5.356 -12.866 1.00 1.00 H new ATOM 0 HD21 LEU A 14 19.936 6.592 -14.369 1.00 1.00 H new ATOM 0 HD22 LEU A 14 19.322 7.135 -12.789 1.00 1.00 H new ATOM 0 HD23 LEU A 14 21.035 6.687 -12.972 1.00 1.00 H new ATOM 210 N THR A 15 21.405 6.240 -8.945 1.00 1.00 N ATOM 211 CA THR A 15 21.465 6.462 -7.507 1.00 1.00 C ATOM 212 C THR A 15 22.599 5.657 -6.880 1.00 1.00 C ATOM 213 O THR A 15 23.208 4.806 -7.530 1.00 1.00 O ATOM 214 CB THR A 15 20.137 6.067 -6.862 1.00 1.00 C ATOM 215 OG1 THR A 15 20.104 4.660 -6.667 1.00 1.00 O ATOM 216 CG2 THR A 15 18.986 6.485 -7.777 1.00 1.00 C ATOM 0 H THR A 15 21.444 7.090 -9.508 1.00 1.00 H new ATOM 0 HA THR A 15 21.653 7.521 -7.333 1.00 1.00 H new ATOM 0 HB THR A 15 20.036 6.567 -5.899 1.00 1.00 H new ATOM 0 HG1 THR A 15 20.087 4.209 -7.537 1.00 1.00 H new ATOM 0 HG21 THR A 15 18.037 6.204 -7.320 1.00 1.00 H new ATOM 0 HG22 THR A 15 19.012 7.565 -7.925 1.00 1.00 H new ATOM 0 HG23 THR A 15 19.086 5.984 -8.740 1.00 1.00 H new ATOM 224 N SER A 16 22.883 5.944 -5.614 1.00 1.00 N ATOM 225 CA SER A 16 23.951 5.256 -4.900 1.00 1.00 C ATOM 226 C SER A 16 23.538 3.839 -4.506 1.00 1.00 C ATOM 227 O SER A 16 22.351 3.510 -4.471 1.00 1.00 O ATOM 228 CB SER A 16 24.317 6.042 -3.645 1.00 1.00 C ATOM 229 OG SER A 16 23.223 6.004 -2.739 1.00 1.00 O ATOM 0 H SER A 16 22.390 6.646 -5.063 1.00 1.00 H new ATOM 0 HA SER A 16 24.811 5.189 -5.566 1.00 1.00 H new ATOM 0 HB2 SER A 16 25.206 5.616 -3.180 1.00 1.00 H new ATOM 0 HB3 SER A 16 24.556 7.074 -3.903 1.00 1.00 H new ATOM 0 HG SER A 16 23.452 6.506 -1.929 1.00 1.00 H new ATOM 235 N ASP A 17 24.536 3.012 -4.202 1.00 1.00 N ATOM 236 CA ASP A 17 24.288 1.632 -3.801 1.00 1.00 C ATOM 237 C ASP A 17 24.197 1.519 -2.282 1.00 1.00 C ATOM 238 O ASP A 17 23.978 0.434 -1.743 1.00 1.00 O ATOM 239 CB ASP A 17 25.415 0.730 -4.306 1.00 1.00 C ATOM 240 CG ASP A 17 26.763 1.261 -3.831 1.00 1.00 C ATOM 241 OD1 ASP A 17 26.785 2.328 -3.243 1.00 1.00 O ATOM 242 OD2 ASP A 17 27.753 0.585 -4.053 1.00 1.00 O ATOM 0 H ASP A 17 25.521 3.274 -4.226 1.00 1.00 H new ATOM 0 HA ASP A 17 23.340 1.316 -4.237 1.00 1.00 H new ATOM 0 HB2 ASP A 17 25.268 -0.287 -3.943 1.00 1.00 H new ATOM 0 HB3 ASP A 17 25.396 0.686 -5.395 1.00 1.00 H new ATOM 247 N GLY A 18 24.360 2.643 -1.595 1.00 1.00 N ATOM 248 CA GLY A 18 24.289 2.651 -0.138 1.00 1.00 C ATOM 249 C GLY A 18 25.648 2.351 0.489 1.00 1.00 C ATOM 250 O GLY A 18 25.756 2.210 1.707 1.00 1.00 O ATOM 0 H GLY A 18 24.541 3.553 -2.018 1.00 1.00 H new ATOM 0 HA2 GLY A 18 23.935 3.623 0.205 1.00 1.00 H new ATOM 0 HA3 GLY A 18 23.561 1.911 0.196 1.00 1.00 H new ATOM 254 N ALA A 19 26.681 2.259 -0.343 1.00 1.00 N ATOM 255 CA ALA A 19 28.030 1.980 0.148 1.00 1.00 C ATOM 256 C ALA A 19 28.546 3.148 0.980 1.00 1.00 C ATOM 257 O ALA A 19 28.267 4.305 0.669 1.00 1.00 O ATOM 258 CB ALA A 19 28.974 1.751 -1.030 1.00 1.00 C ATOM 0 H ALA A 19 26.613 2.372 -1.354 1.00 1.00 H new ATOM 0 HA ALA A 19 27.992 1.086 0.770 1.00 1.00 H new ATOM 0 HB1 ALA A 19 29.977 1.544 -0.657 1.00 1.00 H new ATOM 0 HB2 ALA A 19 28.623 0.903 -1.618 1.00 1.00 H new ATOM 0 HB3 ALA A 19 28.997 2.643 -1.657 1.00 1.00 H new ATOM 264 N GLU A 20 29.300 2.840 2.034 1.00 1.00 N ATOM 265 CA GLU A 20 29.851 3.882 2.898 1.00 1.00 C ATOM 266 C GLU A 20 31.372 3.845 2.907 1.00 1.00 C ATOM 267 O GLU A 20 31.981 2.804 3.145 1.00 1.00 O ATOM 268 CB GLU A 20 29.317 3.729 4.322 1.00 1.00 C ATOM 269 CG GLU A 20 27.823 4.051 4.332 1.00 1.00 C ATOM 270 CD GLU A 20 27.245 3.823 5.723 1.00 1.00 C ATOM 271 OE1 GLU A 20 27.999 3.436 6.600 1.00 1.00 O ATOM 272 OE2 GLU A 20 26.055 4.041 5.892 1.00 1.00 O ATOM 0 H GLU A 20 29.541 1.888 2.308 1.00 1.00 H new ATOM 0 HA GLU A 20 29.536 4.846 2.499 1.00 1.00 H new ATOM 0 HB2 GLU A 20 29.485 2.713 4.680 1.00 1.00 H new ATOM 0 HB3 GLU A 20 29.850 4.397 4.998 1.00 1.00 H new ATOM 0 HG2 GLU A 20 27.665 5.086 4.030 1.00 1.00 H new ATOM 0 HG3 GLU A 20 27.304 3.424 3.607 1.00 1.00 H new ATOM 279 N VAL A 21 31.968 5.004 2.649 1.00 1.00 N ATOM 280 CA VAL A 21 33.414 5.133 2.624 1.00 1.00 C ATOM 281 C VAL A 21 33.999 4.840 4.003 1.00 1.00 C ATOM 282 O VAL A 21 35.013 4.152 4.124 1.00 1.00 O ATOM 283 CB VAL A 21 33.788 6.554 2.194 1.00 1.00 C ATOM 284 CG1 VAL A 21 35.295 6.766 2.361 1.00 1.00 C ATOM 285 CG2 VAL A 21 33.400 6.757 0.726 1.00 1.00 C ATOM 0 H VAL A 21 31.466 5.870 2.454 1.00 1.00 H new ATOM 0 HA VAL A 21 33.823 4.414 1.914 1.00 1.00 H new ATOM 0 HB VAL A 21 33.255 7.273 2.816 1.00 1.00 H new ATOM 0 HG11 VAL A 21 35.556 7.779 2.054 1.00 1.00 H new ATOM 0 HG12 VAL A 21 35.569 6.622 3.406 1.00 1.00 H new ATOM 0 HG13 VAL A 21 35.834 6.049 1.742 1.00 1.00 H new ATOM 0 HG21 VAL A 21 33.665 7.768 0.416 1.00 1.00 H new ATOM 0 HG22 VAL A 21 33.933 6.036 0.106 1.00 1.00 H new ATOM 0 HG23 VAL A 21 32.326 6.612 0.610 1.00 1.00 H new ATOM 295 N GLU A 22 33.363 5.385 5.038 1.00 1.00 N ATOM 296 CA GLU A 22 33.842 5.197 6.404 1.00 1.00 C ATOM 297 C GLU A 22 33.750 3.732 6.821 1.00 1.00 C ATOM 298 O GLU A 22 34.634 3.223 7.512 1.00 1.00 O ATOM 299 CB GLU A 22 33.022 6.057 7.375 1.00 1.00 C ATOM 300 CG GLU A 22 33.643 6.005 8.777 1.00 1.00 C ATOM 301 CD GLU A 22 34.986 6.732 8.782 1.00 1.00 C ATOM 302 OE1 GLU A 22 35.302 7.358 7.783 1.00 1.00 O ATOM 303 OE2 GLU A 22 35.678 6.650 9.783 1.00 1.00 O ATOM 0 H GLU A 22 32.521 5.956 4.957 1.00 1.00 H new ATOM 0 HA GLU A 22 34.887 5.504 6.438 1.00 1.00 H new ATOM 0 HB2 GLU A 22 32.989 7.087 7.021 1.00 1.00 H new ATOM 0 HB3 GLU A 22 31.993 5.699 7.411 1.00 1.00 H new ATOM 0 HG2 GLU A 22 32.969 6.465 9.499 1.00 1.00 H new ATOM 0 HG3 GLU A 22 33.780 4.968 9.084 1.00 1.00 H new ATOM 310 N LEU A 23 32.688 3.051 6.409 1.00 1.00 N ATOM 311 CA LEU A 23 32.529 1.647 6.769 1.00 1.00 C ATOM 312 C LEU A 23 33.678 0.836 6.180 1.00 1.00 C ATOM 313 O LEU A 23 34.242 -0.033 6.843 1.00 1.00 O ATOM 314 CB LEU A 23 31.190 1.113 6.240 1.00 1.00 C ATOM 315 CG LEU A 23 31.006 -0.363 6.632 1.00 1.00 C ATOM 316 CD1 LEU A 23 31.034 -0.513 8.155 1.00 1.00 C ATOM 317 CD2 LEU A 23 29.659 -0.860 6.106 1.00 1.00 C ATOM 0 H LEU A 23 31.937 3.438 5.837 1.00 1.00 H new ATOM 0 HA LEU A 23 32.539 1.555 7.855 1.00 1.00 H new ATOM 0 HB2 LEU A 23 30.370 1.707 6.643 1.00 1.00 H new ATOM 0 HB3 LEU A 23 31.154 1.215 5.155 1.00 1.00 H new ATOM 0 HG LEU A 23 31.817 -0.949 6.199 1.00 1.00 H new ATOM 0 HD11 LEU A 23 30.903 -1.562 8.420 1.00 1.00 H new ATOM 0 HD12 LEU A 23 31.991 -0.159 8.538 1.00 1.00 H new ATOM 0 HD13 LEU A 23 30.228 0.075 8.593 1.00 1.00 H new ATOM 0 HD21 LEU A 23 29.524 -1.906 6.382 1.00 1.00 H new ATOM 0 HD22 LEU A 23 28.856 -0.264 6.540 1.00 1.00 H new ATOM 0 HD23 LEU A 23 29.635 -0.765 5.020 1.00 1.00 H new ATOM 329 N SER A 24 34.018 1.125 4.927 1.00 1.00 N ATOM 330 CA SER A 24 35.097 0.406 4.259 1.00 1.00 C ATOM 331 C SER A 24 36.417 0.597 5.001 1.00 1.00 C ATOM 332 O SER A 24 37.083 1.621 4.847 1.00 1.00 O ATOM 333 CB SER A 24 35.246 0.906 2.824 1.00 1.00 C ATOM 334 OG SER A 24 33.958 1.062 2.244 1.00 1.00 O ATOM 0 H SER A 24 33.568 1.843 4.360 1.00 1.00 H new ATOM 0 HA SER A 24 34.847 -0.655 4.254 1.00 1.00 H new ATOM 0 HB2 SER A 24 35.780 1.856 2.812 1.00 1.00 H new ATOM 0 HB3 SER A 24 35.837 0.200 2.240 1.00 1.00 H new ATOM 0 HG SER A 24 34.051 1.385 1.323 1.00 1.00 H new ATOM 340 N ALA A 25 36.810 -0.413 5.770 1.00 1.00 N ATOM 341 CA ALA A 25 38.078 -0.369 6.488 1.00 1.00 C ATOM 342 C ALA A 25 39.256 -0.573 5.521 1.00 1.00 C ATOM 343 O ALA A 25 40.285 0.099 5.619 1.00 1.00 O ATOM 344 CB ALA A 25 38.106 -1.430 7.592 1.00 1.00 C ATOM 0 H ALA A 25 36.272 -1.268 5.912 1.00 1.00 H new ATOM 0 HA ALA A 25 38.176 0.614 6.948 1.00 1.00 H new ATOM 0 HB1 ALA A 25 39.060 -1.383 8.118 1.00 1.00 H new ATOM 0 HB2 ALA A 25 37.294 -1.245 8.295 1.00 1.00 H new ATOM 0 HB3 ALA A 25 37.984 -2.419 7.150 1.00 1.00 H new ATOM 350 N PRO A 26 39.118 -1.507 4.604 1.00 1.00 N ATOM 351 CA PRO A 26 40.174 -1.844 3.594 1.00 1.00 C ATOM 352 C PRO A 26 40.570 -0.669 2.698 1.00 1.00 C ATOM 353 O PRO A 26 41.687 -0.635 2.182 1.00 1.00 O ATOM 354 CB PRO A 26 39.539 -2.956 2.750 1.00 1.00 C ATOM 355 CG PRO A 26 38.473 -3.535 3.610 1.00 1.00 C ATOM 356 CD PRO A 26 37.934 -2.371 4.431 1.00 1.00 C ATOM 0 HA PRO A 26 41.100 -2.132 4.092 1.00 1.00 H new ATOM 0 HB2 PRO A 26 39.125 -2.560 1.823 1.00 1.00 H new ATOM 0 HB3 PRO A 26 40.276 -3.710 2.474 1.00 1.00 H new ATOM 0 HG2 PRO A 26 37.686 -3.988 3.007 1.00 1.00 H new ATOM 0 HG3 PRO A 26 38.871 -4.318 4.255 1.00 1.00 H new ATOM 0 HD2 PRO A 26 37.128 -1.851 3.913 1.00 1.00 H new ATOM 0 HD3 PRO A 26 37.535 -2.704 5.389 1.00 1.00 H new ATOM 364 N VAL A 27 39.676 0.300 2.524 1.00 1.00 N ATOM 365 CA VAL A 27 40.001 1.461 1.698 1.00 1.00 C ATOM 366 C VAL A 27 41.117 2.278 2.343 1.00 1.00 C ATOM 367 O VAL A 27 42.068 2.689 1.680 1.00 1.00 O ATOM 368 CB VAL A 27 38.757 2.329 1.494 1.00 1.00 C ATOM 369 CG1 VAL A 27 39.146 3.647 0.823 1.00 1.00 C ATOM 370 CG2 VAL A 27 37.774 1.581 0.592 1.00 1.00 C ATOM 0 H VAL A 27 38.741 0.308 2.933 1.00 1.00 H new ATOM 0 HA VAL A 27 40.347 1.110 0.726 1.00 1.00 H new ATOM 0 HB VAL A 27 38.299 2.539 2.460 1.00 1.00 H new ATOM 0 HG11 VAL A 27 38.256 4.260 0.681 1.00 1.00 H new ATOM 0 HG12 VAL A 27 39.857 4.181 1.454 1.00 1.00 H new ATOM 0 HG13 VAL A 27 39.603 3.441 -0.145 1.00 1.00 H new ATOM 0 HG21 VAL A 27 36.883 2.191 0.440 1.00 1.00 H new ATOM 0 HG22 VAL A 27 38.244 1.379 -0.370 1.00 1.00 H new ATOM 0 HG23 VAL A 27 37.493 0.639 1.063 1.00 1.00 H new ATOM 380 N LEU A 28 40.992 2.499 3.647 1.00 1.00 N ATOM 381 CA LEU A 28 41.993 3.259 4.383 1.00 1.00 C ATOM 382 C LEU A 28 43.331 2.520 4.353 1.00 1.00 C ATOM 383 O LEU A 28 44.385 3.129 4.181 1.00 1.00 O ATOM 384 CB LEU A 28 41.533 3.450 5.835 1.00 1.00 C ATOM 385 CG LEU A 28 40.306 4.374 5.877 1.00 1.00 C ATOM 386 CD1 LEU A 28 39.734 4.389 7.297 1.00 1.00 C ATOM 387 CD2 LEU A 28 40.688 5.806 5.471 1.00 1.00 C ATOM 0 H LEU A 28 40.212 2.165 4.213 1.00 1.00 H new ATOM 0 HA LEU A 28 42.117 4.236 3.916 1.00 1.00 H new ATOM 0 HB2 LEU A 28 41.288 2.485 6.278 1.00 1.00 H new ATOM 0 HB3 LEU A 28 42.341 3.877 6.429 1.00 1.00 H new ATOM 0 HG LEU A 28 39.562 3.998 5.175 1.00 1.00 H new ATOM 0 HD11 LEU A 28 38.863 5.044 7.332 1.00 1.00 H new ATOM 0 HD12 LEU A 28 39.440 3.379 7.582 1.00 1.00 H new ATOM 0 HD13 LEU A 28 40.491 4.756 7.990 1.00 1.00 H new ATOM 0 HD21 LEU A 28 39.804 6.443 5.508 1.00 1.00 H new ATOM 0 HD22 LEU A 28 41.441 6.191 6.159 1.00 1.00 H new ATOM 0 HD23 LEU A 28 41.090 5.802 4.458 1.00 1.00 H new ATOM 399 N GLN A 29 43.271 1.202 4.523 1.00 1.00 N ATOM 400 CA GLN A 29 44.482 0.380 4.515 1.00 1.00 C ATOM 401 C GLN A 29 45.156 0.398 3.138 1.00 1.00 C ATOM 402 O GLN A 29 46.377 0.464 3.049 1.00 1.00 O ATOM 403 CB GLN A 29 44.131 -1.067 4.870 1.00 1.00 C ATOM 404 CG GLN A 29 43.561 -1.137 6.289 1.00 1.00 C ATOM 405 CD GLN A 29 44.624 -0.745 7.308 1.00 1.00 C ATOM 406 OE1 GLN A 29 45.713 -1.317 7.322 1.00 1.00 O ATOM 407 NE2 GLN A 29 44.374 0.198 8.170 1.00 1.00 N ATOM 0 H GLN A 29 42.405 0.682 4.667 1.00 1.00 H new ATOM 0 HA GLN A 29 45.170 0.795 5.252 1.00 1.00 H new ATOM 0 HB2 GLN A 29 43.404 -1.458 4.158 1.00 1.00 H new ATOM 0 HB3 GLN A 29 45.020 -1.694 4.795 1.00 1.00 H new ATOM 0 HG2 GLN A 29 42.702 -0.472 6.376 1.00 1.00 H new ATOM 0 HG3 GLN A 29 43.205 -2.146 6.495 1.00 1.00 H new ATOM 0 HE21 GLN A 29 43.471 0.673 8.159 1.00 1.00 H new ATOM 0 HE22 GLN A 29 45.081 0.462 8.856 1.00 1.00 H new ATOM 416 N GLU A 30 44.366 0.333 2.066 1.00 1.00 N ATOM 417 CA GLU A 30 44.943 0.341 0.717 1.00 1.00 C ATOM 418 C GLU A 30 45.604 1.682 0.431 1.00 1.00 C ATOM 419 O GLU A 30 46.660 1.730 -0.197 1.00 1.00 O ATOM 420 CB GLU A 30 43.855 0.083 -0.342 1.00 1.00 C ATOM 421 CG GLU A 30 44.496 0.023 -1.738 1.00 1.00 C ATOM 422 CD GLU A 30 43.440 -0.259 -2.803 1.00 1.00 C ATOM 423 OE1 GLU A 30 42.265 -0.197 -2.482 1.00 1.00 O ATOM 424 OE2 GLU A 30 43.827 -0.516 -3.932 1.00 1.00 O ATOM 0 H GLU A 30 43.348 0.275 2.099 1.00 1.00 H new ATOM 0 HA GLU A 30 45.689 -0.452 0.668 1.00 1.00 H new ATOM 0 HB2 GLU A 30 43.339 -0.853 -0.127 1.00 1.00 H new ATOM 0 HB3 GLU A 30 43.106 0.874 -0.309 1.00 1.00 H new ATOM 0 HG2 GLU A 30 44.996 0.967 -1.955 1.00 1.00 H new ATOM 0 HG3 GLU A 30 45.259 -0.755 -1.760 1.00 1.00 H new ATOM 431 N ILE A 31 44.993 2.765 0.879 1.00 1.00 N ATOM 432 CA ILE A 31 45.563 4.083 0.643 1.00 1.00 C ATOM 433 C ILE A 31 46.906 4.243 1.364 1.00 1.00 C ATOM 434 O ILE A 31 47.855 4.767 0.787 1.00 1.00 O ATOM 435 CB ILE A 31 44.576 5.154 1.102 1.00 1.00 C ATOM 436 CG1 ILE A 31 43.354 5.134 0.175 1.00 1.00 C ATOM 437 CG2 ILE A 31 45.247 6.525 1.041 1.00 1.00 C ATOM 438 CD1 ILE A 31 42.239 5.990 0.776 1.00 1.00 C ATOM 0 H ILE A 31 44.116 2.761 1.400 1.00 1.00 H new ATOM 0 HA ILE A 31 45.748 4.197 -0.425 1.00 1.00 H new ATOM 0 HB ILE A 31 44.263 4.955 2.127 1.00 1.00 H new ATOM 0 HG12 ILE A 31 43.626 5.513 -0.810 1.00 1.00 H new ATOM 0 HG13 ILE A 31 43.006 4.110 0.038 1.00 1.00 H new ATOM 0 HG21 ILE A 31 44.543 7.290 1.369 1.00 1.00 H new ATOM 0 HG22 ILE A 31 46.120 6.532 1.694 1.00 1.00 H new ATOM 0 HG23 ILE A 31 45.558 6.733 0.017 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.372 5.974 0.116 1.00 1.00 H new ATOM 0 HD12 ILE A 31 41.960 5.591 1.751 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.589 7.016 0.890 1.00 1.00 H new ATOM 450 N TYR A 32 46.992 3.801 2.615 1.00 1.00 N ATOM 451 CA TYR A 32 48.252 3.929 3.356 1.00 1.00 C ATOM 452 C TYR A 32 49.379 3.141 2.671 1.00 1.00 C ATOM 453 O TYR A 32 50.488 3.652 2.506 1.00 1.00 O ATOM 454 CB TYR A 32 48.067 3.452 4.801 1.00 1.00 C ATOM 455 CG TYR A 32 47.533 4.596 5.636 1.00 1.00 C ATOM 456 CD1 TYR A 32 46.357 5.250 5.257 1.00 1.00 C ATOM 457 CD2 TYR A 32 48.221 5.011 6.785 1.00 1.00 C ATOM 458 CE1 TYR A 32 45.866 6.312 6.024 1.00 1.00 C ATOM 459 CE2 TYR A 32 47.728 6.077 7.552 1.00 1.00 C ATOM 460 CZ TYR A 32 46.550 6.726 7.171 1.00 1.00 C ATOM 461 OH TYR A 32 46.061 7.772 7.924 1.00 1.00 O ATOM 0 H TYR A 32 46.229 3.362 3.130 1.00 1.00 H new ATOM 0 HA TYR A 32 48.536 4.981 3.365 1.00 1.00 H new ATOM 0 HB2 TYR A 32 47.377 2.609 4.833 1.00 1.00 H new ATOM 0 HB3 TYR A 32 49.017 3.102 5.206 1.00 1.00 H new ATOM 0 HD1 TYR A 32 45.827 4.935 4.371 1.00 1.00 H new ATOM 0 HD2 TYR A 32 49.131 4.510 7.080 1.00 1.00 H new ATOM 0 HE1 TYR A 32 44.956 6.813 5.729 1.00 1.00 H new ATOM 0 HE2 TYR A 32 48.259 6.396 8.437 1.00 1.00 H new ATOM 0 HH TYR A 32 46.655 7.931 8.687 1.00 1.00 H new ATOM 471 N LEU A 33 49.092 1.909 2.268 1.00 1.00 N ATOM 472 CA LEU A 33 50.102 1.091 1.594 1.00 1.00 C ATOM 473 C LEU A 33 50.515 1.722 0.265 1.00 1.00 C ATOM 474 O LEU A 33 51.702 1.760 -0.069 1.00 1.00 O ATOM 475 CB LEU A 33 49.574 -0.330 1.359 1.00 1.00 C ATOM 476 CG LEU A 33 49.756 -1.214 2.615 1.00 1.00 C ATOM 477 CD1 LEU A 33 51.202 -1.712 2.708 1.00 1.00 C ATOM 478 CD2 LEU A 33 49.418 -0.443 3.901 1.00 1.00 C ATOM 0 H LEU A 33 48.186 1.457 2.391 1.00 1.00 H new ATOM 0 HA LEU A 33 50.979 1.039 2.240 1.00 1.00 H new ATOM 0 HB2 LEU A 33 48.518 -0.288 1.092 1.00 1.00 H new ATOM 0 HB3 LEU A 33 50.099 -0.780 0.516 1.00 1.00 H new ATOM 0 HG LEU A 33 49.072 -2.058 2.519 1.00 1.00 H new ATOM 0 HD11 LEU A 33 51.317 -2.333 3.596 1.00 1.00 H new ATOM 0 HD12 LEU A 33 51.442 -2.299 1.822 1.00 1.00 H new ATOM 0 HD13 LEU A 33 51.877 -0.859 2.772 1.00 1.00 H new ATOM 0 HD21 LEU A 33 49.557 -1.095 4.763 1.00 1.00 H new ATOM 0 HD22 LEU A 33 50.075 0.422 3.990 1.00 1.00 H new ATOM 0 HD23 LEU A 33 48.381 -0.108 3.863 1.00 1.00 H new ATOM 490 N SER A 34 49.536 2.234 -0.480 1.00 1.00 N ATOM 491 CA SER A 34 49.816 2.880 -1.760 1.00 1.00 C ATOM 492 C SER A 34 50.693 4.111 -1.556 1.00 1.00 C ATOM 493 O SER A 34 51.622 4.360 -2.327 1.00 1.00 O ATOM 494 CB SER A 34 48.509 3.297 -2.445 1.00 1.00 C ATOM 495 OG SER A 34 47.720 2.142 -2.720 1.00 1.00 O ATOM 0 H SER A 34 48.550 2.214 -0.221 1.00 1.00 H new ATOM 0 HA SER A 34 50.342 2.165 -2.392 1.00 1.00 H new ATOM 0 HB2 SER A 34 47.955 3.984 -1.805 1.00 1.00 H new ATOM 0 HB3 SER A 34 48.726 3.829 -3.371 1.00 1.00 H new ATOM 0 HG SER A 34 47.251 1.865 -1.906 1.00 1.00 H new ATOM 501 N GLY A 35 50.389 4.886 -0.520 1.00 1.00 N ATOM 502 CA GLY A 35 51.152 6.096 -0.230 1.00 1.00 C ATOM 503 C GLY A 35 52.593 5.781 0.175 1.00 1.00 C ATOM 504 O GLY A 35 53.514 6.507 -0.198 1.00 1.00 O ATOM 0 H GLY A 35 49.625 4.700 0.129 1.00 1.00 H new ATOM 0 HA2 GLY A 35 51.155 6.742 -1.108 1.00 1.00 H new ATOM 0 HA3 GLY A 35 50.663 6.650 0.571 1.00 1.00 H new ATOM 508 N LEU A 36 52.798 4.717 0.947 1.00 1.00 N ATOM 509 CA LEU A 36 54.137 4.348 1.405 1.00 1.00 C ATOM 510 C LEU A 36 55.050 4.020 0.224 1.00 1.00 C ATOM 511 O LEU A 36 56.200 4.463 0.195 1.00 1.00 O ATOM 512 CB LEU A 36 54.027 3.133 2.333 1.00 1.00 C ATOM 513 CG LEU A 36 55.411 2.693 2.831 1.00 1.00 C ATOM 514 CD1 LEU A 36 56.080 3.831 3.610 1.00 1.00 C ATOM 515 CD2 LEU A 36 55.252 1.479 3.751 1.00 1.00 C ATOM 0 H LEU A 36 52.056 4.095 1.269 1.00 1.00 H new ATOM 0 HA LEU A 36 54.572 5.191 1.941 1.00 1.00 H new ATOM 0 HB2 LEU A 36 53.391 3.377 3.184 1.00 1.00 H new ATOM 0 HB3 LEU A 36 53.548 2.309 1.804 1.00 1.00 H new ATOM 0 HG LEU A 36 56.033 2.435 1.974 1.00 1.00 H new ATOM 0 HD11 LEU A 36 57.061 3.506 3.958 1.00 1.00 H new ATOM 0 HD12 LEU A 36 56.194 4.699 2.960 1.00 1.00 H new ATOM 0 HD13 LEU A 36 55.461 4.098 4.467 1.00 1.00 H new ATOM 0 HD21 LEU A 36 56.232 1.162 4.108 1.00 1.00 H new ATOM 0 HD22 LEU A 36 54.625 1.747 4.602 1.00 1.00 H new ATOM 0 HD23 LEU A 36 54.785 0.663 3.199 1.00 1.00 H new ATOM 527 N ARG A 37 54.547 3.264 -0.750 1.00 1.00 N ATOM 528 CA ARG A 37 55.370 2.933 -1.909 1.00 1.00 C ATOM 529 C ARG A 37 55.723 4.196 -2.694 1.00 1.00 C ATOM 530 O ARG A 37 56.860 4.371 -3.131 1.00 1.00 O ATOM 531 CB ARG A 37 54.657 1.936 -2.833 1.00 1.00 C ATOM 532 CG ARG A 37 54.594 0.550 -2.181 1.00 1.00 C ATOM 533 CD ARG A 37 53.922 -0.423 -3.154 1.00 1.00 C ATOM 534 NE ARG A 37 52.520 -0.076 -3.337 1.00 1.00 N ATOM 535 CZ ARG A 37 51.589 -0.522 -2.502 1.00 1.00 C ATOM 536 NH1 ARG A 37 51.928 -1.269 -1.485 1.00 1.00 N ATOM 537 NH2 ARG A 37 50.338 -0.211 -2.697 1.00 1.00 N ATOM 0 H ARG A 37 53.602 2.879 -0.762 1.00 1.00 H new ATOM 0 HA ARG A 37 56.285 2.470 -1.540 1.00 1.00 H new ATOM 0 HB2 ARG A 37 53.649 2.289 -3.049 1.00 1.00 H new ATOM 0 HB3 ARG A 37 55.184 1.873 -3.785 1.00 1.00 H new ATOM 0 HG2 ARG A 37 55.597 0.203 -1.933 1.00 1.00 H new ATOM 0 HG3 ARG A 37 54.034 0.597 -1.247 1.00 1.00 H new ATOM 0 HD2 ARG A 37 54.437 -0.399 -4.115 1.00 1.00 H new ATOM 0 HD3 ARG A 37 54.004 -1.441 -2.774 1.00 1.00 H new ATOM 0 HE ARG A 37 52.249 0.519 -4.119 1.00 1.00 H new ATOM 0 HH11 ARG A 37 52.908 -1.509 -1.333 1.00 1.00 H new ATOM 0 HH12 ARG A 37 51.213 -1.612 -0.843 1.00 1.00 H new ATOM 0 HH21 ARG A 37 50.076 0.374 -3.490 1.00 1.00 H new ATOM 0 HH22 ARG A 37 49.622 -0.553 -2.056 1.00 1.00 H new ATOM 551 N SER A 38 54.742 5.086 -2.836 1.00 1.00 N ATOM 552 CA SER A 38 54.939 6.356 -3.532 1.00 1.00 C ATOM 553 C SER A 38 55.810 7.314 -2.719 1.00 1.00 C ATOM 554 O SER A 38 56.597 8.079 -3.273 1.00 1.00 O ATOM 555 CB SER A 38 53.586 7.016 -3.803 1.00 1.00 C ATOM 556 OG SER A 38 52.729 6.093 -4.469 1.00 1.00 O ATOM 0 H SER A 38 53.798 4.949 -2.476 1.00 1.00 H new ATOM 0 HA SER A 38 55.448 6.142 -4.472 1.00 1.00 H new ATOM 0 HB2 SER A 38 53.132 7.337 -2.865 1.00 1.00 H new ATOM 0 HB3 SER A 38 53.721 7.908 -4.414 1.00 1.00 H new ATOM 0 HG SER A 38 52.317 5.496 -3.810 1.00 1.00 H new ATOM 562 N TRP A 39 55.632 7.285 -1.402 1.00 1.00 N ATOM 563 CA TRP A 39 56.372 8.169 -0.503 1.00 1.00 C ATOM 564 C TRP A 39 57.883 7.944 -0.586 1.00 1.00 C ATOM 565 O TRP A 39 58.648 8.903 -0.526 1.00 1.00 O ATOM 566 CB TRP A 39 55.874 7.990 0.938 1.00 1.00 C ATOM 567 CG TRP A 39 56.504 9.012 1.847 1.00 1.00 C ATOM 568 CD1 TRP A 39 56.533 10.351 1.621 1.00 1.00 C ATOM 569 CD2 TRP A 39 57.154 8.807 3.139 1.00 1.00 C ATOM 570 NE1 TRP A 39 57.179 10.969 2.674 1.00 1.00 N ATOM 571 CE2 TRP A 39 57.577 10.063 3.635 1.00 1.00 C ATOM 572 CE3 TRP A 39 57.422 7.664 3.917 1.00 1.00 C ATOM 573 CZ2 TRP A 39 58.240 10.183 4.856 1.00 1.00 C ATOM 574 CZ3 TRP A 39 58.090 7.782 5.148 1.00 1.00 C ATOM 575 CH2 TRP A 39 58.496 9.038 5.617 1.00 1.00 C ATOM 0 H TRP A 39 54.980 6.658 -0.931 1.00 1.00 H new ATOM 0 HA TRP A 39 56.186 9.195 -0.821 1.00 1.00 H new ATOM 0 HB2 TRP A 39 54.789 8.088 0.968 1.00 1.00 H new ATOM 0 HB3 TRP A 39 56.113 6.986 1.289 1.00 1.00 H new ATOM 0 HD1 TRP A 39 56.118 10.851 0.758 1.00 1.00 H new ATOM 0 HE1 TRP A 39 57.342 11.974 2.734 1.00 1.00 H new ATOM 0 HE3 TRP A 39 57.112 6.691 3.566 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 58.554 11.153 5.211 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 58.292 6.899 5.736 1.00 1.00 H new ATOM 0 HH2 TRP A 39 59.006 9.122 6.565 1.00 1.00 H new ATOM 586 N LYS A 40 58.319 6.693 -0.717 1.00 1.00 N ATOM 587 CA LYS A 40 59.754 6.417 -0.789 1.00 1.00 C ATOM 588 C LYS A 40 60.377 7.118 -1.992 1.00 1.00 C ATOM 589 O LYS A 40 61.463 7.687 -1.879 1.00 1.00 O ATOM 590 CB LYS A 40 59.991 4.912 -0.909 1.00 1.00 C ATOM 591 CG LYS A 40 59.602 4.225 0.400 1.00 1.00 C ATOM 592 CD LYS A 40 59.817 2.715 0.269 1.00 1.00 C ATOM 593 CE LYS A 40 59.462 2.038 1.594 1.00 1.00 C ATOM 594 NZ LYS A 40 59.673 0.568 1.474 1.00 1.00 N ATOM 0 H LYS A 40 57.717 5.872 -0.774 1.00 1.00 H new ATOM 0 HA LYS A 40 60.219 6.792 0.123 1.00 1.00 H new ATOM 0 HB2 LYS A 40 59.404 4.506 -1.733 1.00 1.00 H new ATOM 0 HB3 LYS A 40 61.039 4.716 -1.137 1.00 1.00 H new ATOM 0 HG2 LYS A 40 60.201 4.618 1.221 1.00 1.00 H new ATOM 0 HG3 LYS A 40 58.559 4.435 0.637 1.00 1.00 H new ATOM 0 HD2 LYS A 40 59.197 2.316 -0.534 1.00 1.00 H new ATOM 0 HD3 LYS A 40 60.854 2.505 0.006 1.00 1.00 H new ATOM 0 HE2 LYS A 40 60.080 2.440 2.397 1.00 1.00 H new ATOM 0 HE3 LYS A 40 58.424 2.247 1.855 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 59.432 0.108 2.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 59.066 0.191 0.719 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 60.669 0.378 1.244 1.00 1.00 H new ATOM 608 N ARG A 41 59.705 7.087 -3.132 1.00 1.00 N ATOM 609 CA ARG A 41 60.242 7.739 -4.327 1.00 1.00 C ATOM 610 C ARG A 41 60.339 9.252 -4.127 1.00 1.00 C ATOM 611 O ARG A 41 61.286 9.902 -4.565 1.00 1.00 O ATOM 612 CB ARG A 41 59.343 7.434 -5.531 1.00 1.00 C ATOM 613 CG ARG A 41 59.473 5.953 -5.899 1.00 1.00 C ATOM 614 CD ARG A 41 58.487 5.601 -7.021 1.00 1.00 C ATOM 615 NE ARG A 41 58.800 6.337 -8.243 1.00 1.00 N ATOM 616 CZ ARG A 41 57.987 6.296 -9.296 1.00 1.00 C ATOM 617 NH1 ARG A 41 56.892 5.590 -9.249 1.00 1.00 N ATOM 618 NH2 ARG A 41 58.286 6.959 -10.381 1.00 1.00 N ATOM 0 H ARG A 41 58.803 6.628 -3.260 1.00 1.00 H new ATOM 0 HA ARG A 41 61.244 7.351 -4.510 1.00 1.00 H new ATOM 0 HB2 ARG A 41 58.306 7.672 -5.294 1.00 1.00 H new ATOM 0 HB3 ARG A 41 59.627 8.057 -6.379 1.00 1.00 H new ATOM 0 HG2 ARG A 41 60.492 5.738 -6.219 1.00 1.00 H new ATOM 0 HG3 ARG A 41 59.276 5.334 -5.024 1.00 1.00 H new ATOM 0 HD2 ARG A 41 58.523 4.530 -7.218 1.00 1.00 H new ATOM 0 HD3 ARG A 41 57.471 5.833 -6.703 1.00 1.00 H new ATOM 0 HE ARG A 41 59.655 6.891 -8.290 1.00 1.00 H new ATOM 0 HH11 ARG A 41 56.657 5.068 -8.405 1.00 1.00 H new ATOM 0 HH12 ARG A 41 56.270 5.559 -10.057 1.00 1.00 H new ATOM 0 HH21 ARG A 41 59.144 7.509 -10.422 1.00 1.00 H new ATOM 0 HH22 ARG A 41 57.662 6.926 -11.187 1.00 1.00 H new ATOM 632 N HIS A 42 59.340 9.774 -3.431 1.00 1.00 N ATOM 633 CA HIS A 42 59.274 11.200 -3.119 1.00 1.00 C ATOM 634 C HIS A 42 60.174 11.553 -1.925 1.00 1.00 C ATOM 635 O HIS A 42 60.729 12.649 -1.849 1.00 1.00 O ATOM 636 CB HIS A 42 57.825 11.594 -2.816 1.00 1.00 C ATOM 637 CG HIS A 42 57.008 11.480 -4.077 1.00 1.00 C ATOM 638 ND1 HIS A 42 56.379 10.301 -4.449 1.00 1.00 N ATOM 639 CD2 HIS A 42 56.719 12.388 -5.065 1.00 1.00 C ATOM 640 CE1 HIS A 42 55.747 10.529 -5.615 1.00 1.00 C ATOM 641 NE2 HIS A 42 55.922 11.786 -6.035 1.00 1.00 N ATOM 0 H HIS A 42 58.557 9.230 -3.068 1.00 1.00 H new ATOM 0 HA HIS A 42 59.632 11.756 -3.985 1.00 1.00 H new ATOM 0 HB2 HIS A 42 57.414 10.946 -2.042 1.00 1.00 H new ATOM 0 HB3 HIS A 42 57.785 12.614 -2.433 1.00 1.00 H new ATOM 0 HD1 HIS A 42 56.393 9.421 -3.933 1.00 1.00 H new ATOM 0 HD2 HIS A 42 57.058 13.413 -5.087 1.00 1.00 H new ATOM 0 HE1 HIS A 42 55.169 9.787 -6.146 1.00 1.00 H new ATOM 649 N LEU A 43 60.300 10.605 -1.002 1.00 1.00 N ATOM 650 CA LEU A 43 61.112 10.767 0.206 1.00 1.00 C ATOM 651 C LEU A 43 62.599 10.511 -0.058 1.00 1.00 C ATOM 652 O LEU A 43 63.435 10.815 0.789 1.00 1.00 O ATOM 653 CB LEU A 43 60.604 9.780 1.275 1.00 1.00 C ATOM 654 CG LEU A 43 61.296 9.993 2.633 1.00 1.00 C ATOM 655 CD1 LEU A 43 60.956 11.372 3.201 1.00 1.00 C ATOM 656 CD2 LEU A 43 60.819 8.922 3.612 1.00 1.00 C ATOM 0 H LEU A 43 59.841 9.697 -1.068 1.00 1.00 H new ATOM 0 HA LEU A 43 61.015 11.798 0.547 1.00 1.00 H new ATOM 0 HB2 LEU A 43 59.527 9.898 1.395 1.00 1.00 H new ATOM 0 HB3 LEU A 43 60.777 8.758 0.936 1.00 1.00 H new ATOM 0 HG LEU A 43 62.375 9.925 2.491 1.00 1.00 H new ATOM 0 HD11 LEU A 43 61.455 11.503 4.161 1.00 1.00 H new ATOM 0 HD12 LEU A 43 61.293 12.144 2.509 1.00 1.00 H new ATOM 0 HD13 LEU A 43 59.878 11.453 3.338 1.00 1.00 H new ATOM 0 HD21 LEU A 43 61.306 9.068 4.576 1.00 1.00 H new ATOM 0 HD22 LEU A 43 59.739 8.998 3.736 1.00 1.00 H new ATOM 0 HD23 LEU A 43 61.072 7.935 3.223 1.00 1.00 H new ATOM 668 N SER A 44 62.952 9.929 -1.200 1.00 1.00 N ATOM 669 CA SER A 44 64.357 9.617 -1.472 1.00 1.00 C ATOM 670 C SER A 44 65.256 10.854 -1.430 1.00 1.00 C ATOM 671 O SER A 44 66.338 10.790 -0.845 1.00 1.00 O ATOM 672 CB SER A 44 64.474 8.950 -2.841 1.00 1.00 C ATOM 673 OG SER A 44 65.835 8.952 -3.248 1.00 1.00 O ATOM 0 H SER A 44 62.302 9.667 -1.941 1.00 1.00 H new ATOM 0 HA SER A 44 64.697 8.943 -0.685 1.00 1.00 H new ATOM 0 HB2 SER A 44 64.098 7.928 -2.794 1.00 1.00 H new ATOM 0 HB3 SER A 44 63.863 9.481 -3.571 1.00 1.00 H new ATOM 0 HG SER A 44 65.915 8.523 -4.126 1.00 1.00 H new ATOM 679 N ARG A 45 64.872 11.954 -2.072 1.00 1.00 N ATOM 680 CA ARG A 45 65.756 13.117 -2.090 1.00 1.00 C ATOM 681 C ARG A 45 66.041 13.613 -0.671 1.00 1.00 C ATOM 682 O ARG A 45 67.189 13.872 -0.303 1.00 1.00 O ATOM 683 CB ARG A 45 65.109 14.234 -2.917 1.00 1.00 C ATOM 684 CG ARG A 45 66.065 15.421 -3.040 1.00 1.00 C ATOM 685 CD ARG A 45 65.426 16.491 -3.931 1.00 1.00 C ATOM 686 NE ARG A 45 64.235 17.026 -3.288 1.00 1.00 N ATOM 687 CZ ARG A 45 64.323 18.022 -2.418 1.00 1.00 C ATOM 688 NH1 ARG A 45 65.490 18.517 -2.118 1.00 1.00 N ATOM 689 NH2 ARG A 45 63.248 18.499 -1.855 1.00 1.00 N ATOM 0 H ARG A 45 63.989 12.066 -2.570 1.00 1.00 H new ATOM 0 HA ARG A 45 66.705 12.827 -2.542 1.00 1.00 H new ATOM 0 HB2 ARG A 45 64.852 13.860 -3.908 1.00 1.00 H new ATOM 0 HB3 ARG A 45 64.179 14.554 -2.446 1.00 1.00 H new ATOM 0 HG2 ARG A 45 66.281 15.833 -2.054 1.00 1.00 H new ATOM 0 HG3 ARG A 45 67.015 15.096 -3.465 1.00 1.00 H new ATOM 0 HD2 ARG A 45 66.140 17.293 -4.119 1.00 1.00 H new ATOM 0 HD3 ARG A 45 65.166 16.062 -4.899 1.00 1.00 H new ATOM 0 HE ARG A 45 63.322 16.630 -3.510 1.00 1.00 H new ATOM 0 HH11 ARG A 45 66.332 18.138 -2.552 1.00 1.00 H new ATOM 0 HH12 ARG A 45 65.562 19.284 -1.449 1.00 1.00 H new ATOM 0 HH21 ARG A 45 62.335 18.106 -2.084 1.00 1.00 H new ATOM 0 HH22 ARG A 45 63.320 19.266 -1.186 1.00 1.00 H new ATOM 703 N PHE A 46 64.977 13.725 0.115 1.00 1.00 N ATOM 704 CA PHE A 46 65.068 14.175 1.504 1.00 1.00 C ATOM 705 C PHE A 46 65.827 13.168 2.371 1.00 1.00 C ATOM 706 O PHE A 46 66.599 13.546 3.251 1.00 1.00 O ATOM 707 CB PHE A 46 63.665 14.369 2.073 1.00 1.00 C ATOM 708 CG PHE A 46 63.008 15.563 1.428 1.00 1.00 C ATOM 709 CD1 PHE A 46 63.171 16.840 1.987 1.00 1.00 C ATOM 710 CD2 PHE A 46 62.226 15.396 0.279 1.00 1.00 C ATOM 711 CE1 PHE A 46 62.552 17.945 1.394 1.00 1.00 C ATOM 712 CE2 PHE A 46 61.607 16.502 -0.314 1.00 1.00 C ATOM 713 CZ PHE A 46 61.768 17.775 0.244 1.00 1.00 C ATOM 0 H PHE A 46 64.028 13.508 -0.189 1.00 1.00 H new ATOM 0 HA PHE A 46 65.614 15.118 1.515 1.00 1.00 H new ATOM 0 HB2 PHE A 46 63.066 13.475 1.898 1.00 1.00 H new ATOM 0 HB3 PHE A 46 63.718 14.511 3.152 1.00 1.00 H new ATOM 0 HD1 PHE A 46 63.774 16.969 2.874 1.00 1.00 H new ATOM 0 HD2 PHE A 46 62.100 14.413 -0.150 1.00 1.00 H new ATOM 0 HE1 PHE A 46 62.678 18.929 1.822 1.00 1.00 H new ATOM 0 HE2 PHE A 46 61.005 16.373 -1.202 1.00 1.00 H new ATOM 0 HZ PHE A 46 61.288 18.628 -0.212 1.00 1.00 H new ATOM 723 N TRP A 47 65.587 11.888 2.123 1.00 1.00 N ATOM 724 CA TRP A 47 66.235 10.826 2.885 1.00 1.00 C ATOM 725 C TRP A 47 67.737 10.790 2.639 1.00 1.00 C ATOM 726 O TRP A 47 68.528 10.601 3.565 1.00 1.00 O ATOM 727 CB TRP A 47 65.624 9.474 2.515 1.00 1.00 C ATOM 728 CG TRP A 47 66.424 8.365 3.124 1.00 1.00 C ATOM 729 CD1 TRP A 47 66.270 7.900 4.385 1.00 1.00 C ATOM 730 CD2 TRP A 47 67.484 7.565 2.520 1.00 1.00 C ATOM 731 NE1 TRP A 47 67.170 6.868 4.593 1.00 1.00 N ATOM 732 CE2 TRP A 47 67.940 6.625 3.473 1.00 1.00 C ATOM 733 CE3 TRP A 47 68.090 7.566 1.249 1.00 1.00 C ATOM 734 CZ2 TRP A 47 68.956 5.717 3.179 1.00 1.00 C ATOM 735 CZ3 TRP A 47 69.117 6.653 0.949 1.00 1.00 C ATOM 736 CH2 TRP A 47 69.548 5.730 1.915 1.00 1.00 C ATOM 0 H TRP A 47 64.948 11.558 1.400 1.00 1.00 H new ATOM 0 HA TRP A 47 66.072 11.032 3.943 1.00 1.00 H new ATOM 0 HB2 TRP A 47 64.593 9.424 2.865 1.00 1.00 H new ATOM 0 HB3 TRP A 47 65.598 9.362 1.431 1.00 1.00 H new ATOM 0 HD1 TRP A 47 65.562 8.272 5.110 1.00 1.00 H new ATOM 0 HE1 TRP A 47 67.254 6.350 5.468 1.00 1.00 H new ATOM 0 HE3 TRP A 47 67.764 8.272 0.500 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 69.283 5.008 3.925 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 69.576 6.662 -0.029 1.00 1.00 H new ATOM 0 HH2 TRP A 47 70.337 5.031 1.680 1.00 1.00 H new ATOM 747 N ASN A 48 68.122 10.982 1.382 1.00 1.00 N ATOM 748 CA ASN A 48 69.529 10.979 1.011 1.00 1.00 C ATOM 749 C ASN A 48 70.265 12.128 1.697 1.00 1.00 C ATOM 750 O ASN A 48 71.390 11.969 2.170 1.00 1.00 O ATOM 751 CB ASN A 48 69.658 11.108 -0.510 1.00 1.00 C ATOM 752 CG ASN A 48 71.127 11.133 -0.915 1.00 1.00 C ATOM 753 OD1 ASN A 48 71.949 10.434 -0.319 1.00 1.00 O ATOM 754 ND2 ASN A 48 71.512 11.904 -1.895 1.00 1.00 N ATOM 0 H ASN A 48 67.480 11.141 0.606 1.00 1.00 H new ATOM 0 HA ASN A 48 69.978 10.040 1.334 1.00 1.00 H new ATOM 0 HB2 ASN A 48 69.153 10.273 -0.997 1.00 1.00 H new ATOM 0 HB3 ASN A 48 69.165 12.019 -0.848 1.00 1.00 H new ATOM 0 HD21 ASN A 48 72.494 11.929 -2.169 1.00 1.00 H new ATOM 0 HD22 ASN A 48 70.831 12.482 -2.387 1.00 1.00 H new ATOM 761 N ASP A 49 69.616 13.288 1.750 1.00 1.00 N ATOM 762 CA ASP A 49 70.208 14.463 2.384 1.00 1.00 C ATOM 763 C ASP A 49 70.300 14.264 3.893 1.00 1.00 C ATOM 764 O ASP A 49 69.390 13.712 4.509 1.00 1.00 O ATOM 765 CB ASP A 49 69.345 15.692 2.087 1.00 1.00 C ATOM 766 CG ASP A 49 69.611 16.202 0.673 1.00 1.00 C ATOM 767 OD1 ASP A 49 70.619 15.821 0.099 1.00 1.00 O ATOM 768 OD2 ASP A 49 68.801 16.969 0.185 1.00 1.00 O ATOM 0 H ASP A 49 68.684 13.440 1.364 1.00 1.00 H new ATOM 0 HA ASP A 49 71.212 14.609 1.985 1.00 1.00 H new ATOM 0 HB2 ASP A 49 68.291 15.438 2.196 1.00 1.00 H new ATOM 0 HB3 ASP A 49 69.560 16.478 2.810 1.00 1.00 H new ATOM 773 N PHE A 50 71.399 14.718 4.484 1.00 1.00 N ATOM 774 CA PHE A 50 71.587 14.579 5.923 1.00 1.00 C ATOM 775 C PHE A 50 72.664 15.536 6.419 1.00 1.00 C ATOM 776 O PHE A 50 73.568 15.829 5.654 1.00 1.00 O ATOM 777 CB PHE A 50 71.979 13.139 6.250 1.00 1.00 C ATOM 778 CG PHE A 50 72.231 13.009 7.733 1.00 1.00 C ATOM 779 CD1 PHE A 50 71.157 13.005 8.632 1.00 1.00 C ATOM 780 CD2 PHE A 50 73.541 12.886 8.209 1.00 1.00 C ATOM 781 CE1 PHE A 50 71.395 12.880 10.007 1.00 1.00 C ATOM 782 CE2 PHE A 50 73.779 12.762 9.581 1.00 1.00 C ATOM 783 CZ PHE A 50 72.707 12.759 10.482 1.00 1.00 C ATOM 784 OXT PHE A 50 72.570 15.966 7.558 1.00 1.00 O ATOM 0 H PHE A 50 72.166 15.181 3.996 1.00 1.00 H new ATOM 0 HA PHE A 50 70.651 14.825 6.425 1.00 1.00 H new ATOM 0 HB2 PHE A 50 71.186 12.457 5.944 1.00 1.00 H new ATOM 0 HB3 PHE A 50 72.873 12.859 5.693 1.00 1.00 H new ATOM 0 HD1 PHE A 50 70.145 13.098 8.265 1.00 1.00 H new ATOM 0 HD2 PHE A 50 74.369 12.887 7.516 1.00 1.00 H new ATOM 0 HE1 PHE A 50 70.567 12.877 10.700 1.00 1.00 H new ATOM 0 HE2 PHE A 50 74.791 12.668 9.947 1.00 1.00 H new ATOM 0 HZ PHE A 50 72.892 12.664 11.542 1.00 1.00 H new TER 794 PHE A 50