USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 24 SER OG : rot -70:sc= 1.19 USER MOD Set 1.2: A 55 GLN : amide:sc= -2.72! C(o=-1.5!,f=-11!) USER MOD Set 2.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 20 CYS SG : rot -126:sc= -0.141 USER MOD Set 3.1: A 3 THR OG1 : rot 73:sc=-0.000926 USER MOD Set 3.2: A 35 SER OG : rot -80:sc= -0.198 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00144 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 26 GLN : amide:sc= -1.85 K(o=-1.8,f=-2.5!) USER MOD Single : A 29 THR OG1 : rot -22:sc= 0.209 USER MOD Single : A 30 GLN : amide:sc= -1.66! C(o=-1.7!,f=-3.2!) USER MOD Single : A 31 THR OG1 : rot 170:sc=-0.00262 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 114:sc= -0.2 USER MOD Single : A 36 ASN : amide:sc= -1.12 K(o=-1.1,f=-4.4!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 63 THR OG1 : rot 180:sc=-0.00066 USER MOD Single : A 65 THR OG1 : rot -178:sc= -2.39! USER MOD Single : A 71 ASN : amide:sc= -0.562 K(o=-0.56,f=-2!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-1.3) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.646 USER MOD Single : A 89 SER OG : rot -44:sc= 0.37 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.158 0.087 0.204 1.00 43.42 N ATOM 2 CA PRO A 1 1.872 0.072 -1.077 1.00 32.33 C ATOM 3 C PRO A 1 1.776 -1.280 -1.777 1.00 3.51 C ATOM 4 O PRO A 1 1.309 -2.260 -1.196 1.00 13.22 O ATOM 5 CB PRO A 1 3.320 0.367 -0.679 1.00 62.13 C ATOM 6 CG PRO A 1 3.426 -0.091 0.734 1.00 11.45 C ATOM 7 CD PRO A 1 2.078 0.158 1.352 1.00 34.20 C ATOM 0 H2 PRO A 1 0.584 -0.753 0.282 1.00 43.42 H new ATOM 0 H3 PRO A 1 0.524 0.885 0.229 1.00 43.42 H new ATOM 0 HA PRO A 1 1.456 0.789 -1.785 1.00 32.33 H new ATOM 0 HB2 PRO A 1 4.023 -0.164 -1.321 1.00 62.13 H new ATOM 0 HB3 PRO A 1 3.546 1.429 -0.769 1.00 62.13 H new ATOM 0 HG2 PRO A 1 3.689 -1.148 0.783 1.00 11.45 H new ATOM 0 HG3 PRO A 1 4.206 0.456 1.264 1.00 11.45 H new ATOM 0 HD2 PRO A 1 1.837 -0.591 2.107 1.00 34.20 H new ATOM 0 HD3 PRO A 1 2.034 1.130 1.843 1.00 34.20 H new ATOM 15 N LEU A 2 2.222 -1.325 -3.027 1.00 62.34 N ATOM 16 CA LEU A 2 2.188 -2.558 -3.807 1.00 53.44 C ATOM 17 C LEU A 2 3.111 -2.462 -5.018 1.00 30.12 C ATOM 18 O LEU A 2 3.375 -1.372 -5.527 1.00 71.32 O ATOM 19 CB LEU A 2 0.758 -2.855 -4.264 1.00 65.41 C ATOM 20 CG LEU A 2 0.151 -1.863 -5.256 1.00 75.54 C ATOM 21 CD1 LEU A 2 0.122 -2.458 -6.656 1.00 33.22 C ATOM 22 CD2 LEU A 2 -1.250 -1.460 -4.817 1.00 64.34 C ATOM 0 H LEU A 2 2.611 -0.523 -3.522 1.00 62.34 H new ATOM 0 HA LEU A 2 2.537 -3.372 -3.171 1.00 53.44 H new ATOM 0 HB2 LEU A 2 0.741 -3.847 -4.716 1.00 65.41 H new ATOM 0 HB3 LEU A 2 0.117 -2.895 -3.383 1.00 65.41 H new ATOM 0 HG LEU A 2 0.776 -0.970 -5.276 1.00 75.54 H new ATOM 0 HD11 LEU A 2 -0.313 -1.738 -7.349 1.00 33.22 H new ATOM 0 HD12 LEU A 2 1.138 -2.696 -6.971 1.00 33.22 H new ATOM 0 HD13 LEU A 2 -0.479 -3.367 -6.653 1.00 33.22 H new ATOM 0 HD21 LEU A 2 -1.667 -0.753 -5.535 1.00 64.34 H new ATOM 0 HD22 LEU A 2 -1.885 -2.345 -4.768 1.00 64.34 H new ATOM 0 HD23 LEU A 2 -1.203 -0.993 -3.833 1.00 64.34 H new ATOM 34 N THR A 3 3.599 -3.611 -5.476 1.00 14.10 N ATOM 35 CA THR A 3 4.491 -3.657 -6.627 1.00 63.40 C ATOM 36 C THR A 3 4.021 -4.689 -7.646 1.00 63.10 C ATOM 37 O THR A 3 3.156 -5.515 -7.354 1.00 10.53 O ATOM 38 CB THR A 3 5.935 -3.990 -6.205 1.00 40.22 C ATOM 39 OG1 THR A 3 6.835 -3.727 -7.288 1.00 34.01 O ATOM 40 CG2 THR A 3 6.054 -5.446 -5.783 1.00 35.51 C ATOM 0 H THR A 3 3.391 -4.522 -5.067 1.00 14.10 H new ATOM 0 HA THR A 3 4.472 -2.667 -7.082 1.00 63.40 H new ATOM 0 HB THR A 3 6.196 -3.360 -5.355 1.00 40.22 H new ATOM 0 HG1 THR A 3 6.932 -2.759 -7.405 1.00 34.01 H new ATOM 0 HG21 THR A 3 7.082 -5.657 -5.490 1.00 35.51 H new ATOM 0 HG22 THR A 3 5.390 -5.636 -4.940 1.00 35.51 H new ATOM 0 HG23 THR A 3 5.775 -6.090 -6.617 1.00 35.51 H new ATOM 48 N ARG A 4 4.597 -4.637 -8.843 1.00 23.14 N ATOM 49 CA ARG A 4 4.236 -5.568 -9.905 1.00 44.43 C ATOM 50 C ARG A 4 4.968 -6.896 -9.737 1.00 10.04 C ATOM 51 O ARG A 4 5.978 -6.992 -9.039 1.00 61.33 O ATOM 52 CB ARG A 4 4.562 -4.964 -11.273 1.00 34.11 C ATOM 53 CG ARG A 4 3.353 -4.374 -11.981 1.00 43.11 C ATOM 54 CD ARG A 4 3.397 -2.854 -11.985 1.00 3.21 C ATOM 55 NE ARG A 4 2.770 -2.291 -13.178 1.00 20.13 N ATOM 56 CZ ARG A 4 3.290 -2.387 -14.396 1.00 72.43 C ATOM 57 NH1 ARG A 4 4.439 -3.022 -14.582 1.00 42.52 N ATOM 58 NH2 ARG A 4 2.659 -1.849 -15.432 1.00 62.14 N ATOM 0 H ARG A 4 5.315 -3.960 -9.101 1.00 23.14 H new ATOM 0 HA ARG A 4 3.164 -5.754 -9.842 1.00 44.43 H new ATOM 0 HB2 ARG A 4 5.315 -4.186 -11.147 1.00 34.11 H new ATOM 0 HB3 ARG A 4 5.003 -5.735 -11.905 1.00 34.11 H new ATOM 0 HG2 ARG A 4 3.316 -4.741 -13.007 1.00 43.11 H new ATOM 0 HG3 ARG A 4 2.441 -4.711 -11.489 1.00 43.11 H new ATOM 0 HD2 ARG A 4 2.892 -2.474 -11.097 1.00 3.21 H new ATOM 0 HD3 ARG A 4 4.433 -2.521 -11.929 1.00 3.21 H new ATOM 0 HE ARG A 4 1.884 -1.797 -13.070 1.00 20.13 H new ATOM 0 HH11 ARG A 4 4.926 -3.438 -13.788 1.00 42.52 H new ATOM 0 HH12 ARG A 4 4.836 -3.094 -15.519 1.00 42.52 H new ATOM 0 HH21 ARG A 4 1.774 -1.361 -15.293 1.00 62.14 H new ATOM 0 HH22 ARG A 4 3.059 -1.923 -16.367 1.00 62.14 H new ATOM 72 N PRO A 5 4.447 -7.946 -10.389 1.00 41.21 N ATOM 73 CA PRO A 5 5.035 -9.287 -10.327 1.00 34.31 C ATOM 74 C PRO A 5 6.370 -9.370 -11.059 1.00 33.01 C ATOM 75 O PRO A 5 6.426 -9.762 -12.225 1.00 23.44 O ATOM 76 CB PRO A 5 3.989 -10.165 -11.020 1.00 44.22 C ATOM 77 CG PRO A 5 3.261 -9.238 -11.931 1.00 61.14 C ATOM 78 CD PRO A 5 3.245 -7.904 -11.238 1.00 51.33 C ATOM 0 HA PRO A 5 5.254 -9.589 -9.303 1.00 34.31 H new ATOM 0 HB2 PRO A 5 4.459 -10.978 -11.574 1.00 44.22 H new ATOM 0 HB3 PRO A 5 3.313 -10.621 -10.297 1.00 44.22 H new ATOM 0 HG2 PRO A 5 3.760 -9.169 -12.898 1.00 61.14 H new ATOM 0 HG3 PRO A 5 2.247 -9.592 -12.119 1.00 61.14 H new ATOM 0 HD2 PRO A 5 3.285 -7.080 -11.951 1.00 51.33 H new ATOM 0 HD3 PRO A 5 2.340 -7.769 -10.646 1.00 51.33 H new ATOM 86 N TYR A 6 7.442 -8.999 -10.368 1.00 52.20 N ATOM 87 CA TYR A 6 8.777 -9.029 -10.954 1.00 33.34 C ATOM 88 C TYR A 6 9.721 -9.884 -10.114 1.00 34.33 C ATOM 89 O TYR A 6 9.570 -9.983 -8.895 1.00 41.22 O ATOM 90 CB TYR A 6 9.333 -7.610 -11.081 1.00 22.22 C ATOM 91 CG TYR A 6 10.261 -7.427 -12.261 1.00 31.14 C ATOM 92 CD1 TYR A 6 11.598 -7.796 -12.181 1.00 44.33 C ATOM 93 CD2 TYR A 6 9.801 -6.885 -13.454 1.00 52.30 C ATOM 94 CE1 TYR A 6 12.450 -7.630 -13.256 1.00 40.33 C ATOM 95 CE2 TYR A 6 10.645 -6.716 -14.535 1.00 32.44 C ATOM 96 CZ TYR A 6 11.968 -7.090 -14.431 1.00 25.12 C ATOM 97 OH TYR A 6 12.813 -6.923 -15.504 1.00 52.24 O ATOM 0 H TYR A 6 7.413 -8.674 -9.402 1.00 52.20 H new ATOM 0 HA TYR A 6 8.701 -9.472 -11.947 1.00 33.34 H new ATOM 0 HB2 TYR A 6 8.502 -6.910 -11.171 1.00 22.22 H new ATOM 0 HB3 TYR A 6 9.868 -7.355 -10.166 1.00 22.22 H new ATOM 0 HD1 TYR A 6 11.978 -8.220 -11.263 1.00 44.33 H new ATOM 0 HD2 TYR A 6 8.765 -6.590 -13.538 1.00 52.30 H new ATOM 0 HE1 TYR A 6 13.487 -7.921 -13.177 1.00 40.33 H new ATOM 0 HE2 TYR A 6 10.271 -6.294 -15.456 1.00 32.44 H new ATOM 0 HH TYR A 6 12.317 -6.532 -16.253 1.00 52.24 H new ATOM 107 N LEU A 7 10.695 -10.501 -10.774 1.00 12.12 N ATOM 108 CA LEU A 7 11.666 -11.348 -10.090 1.00 14.04 C ATOM 109 C LEU A 7 13.066 -10.749 -10.174 1.00 71.34 C ATOM 110 O LEU A 7 13.459 -10.206 -11.206 1.00 74.31 O ATOM 111 CB LEU A 7 11.662 -12.753 -10.694 1.00 53.05 C ATOM 112 CG LEU A 7 10.631 -13.727 -10.123 1.00 13.10 C ATOM 113 CD1 LEU A 7 9.241 -13.110 -10.150 1.00 50.13 C ATOM 114 CD2 LEU A 7 10.650 -15.038 -10.896 1.00 14.33 C ATOM 0 H LEU A 7 10.833 -10.431 -11.782 1.00 12.12 H new ATOM 0 HA LEU A 7 11.381 -11.410 -9.040 1.00 14.04 H new ATOM 0 HB2 LEU A 7 11.493 -12.665 -11.767 1.00 53.05 H new ATOM 0 HB3 LEU A 7 12.653 -13.186 -10.562 1.00 53.05 H new ATOM 0 HG LEU A 7 10.893 -13.936 -9.086 1.00 13.10 H new ATOM 0 HD11 LEU A 7 8.521 -13.818 -9.740 1.00 50.13 H new ATOM 0 HD12 LEU A 7 9.236 -12.199 -9.552 1.00 50.13 H new ATOM 0 HD13 LEU A 7 8.969 -12.870 -11.178 1.00 50.13 H new ATOM 0 HD21 LEU A 7 9.910 -15.719 -10.476 1.00 14.33 H new ATOM 0 HD22 LEU A 7 10.414 -14.847 -11.943 1.00 14.33 H new ATOM 0 HD23 LEU A 7 11.640 -15.489 -10.824 1.00 14.33 H new ATOM 126 N GLY A 8 13.816 -10.855 -9.082 1.00 3.53 N ATOM 127 CA GLY A 8 15.166 -10.321 -9.054 1.00 74.03 C ATOM 128 C GLY A 8 16.171 -11.315 -8.507 1.00 10.31 C ATOM 129 O GLY A 8 17.265 -10.935 -8.089 1.00 22.50 O ATOM 0 H GLY A 8 13.514 -11.301 -8.216 1.00 3.53 H new ATOM 0 HA2 GLY A 8 15.459 -10.030 -10.063 1.00 74.03 H new ATOM 0 HA3 GLY A 8 15.184 -9.418 -8.444 1.00 74.03 H new ATOM 133 N PHE A 9 15.800 -12.591 -8.507 1.00 53.32 N ATOM 134 CA PHE A 9 16.676 -13.642 -8.004 1.00 62.03 C ATOM 135 C PHE A 9 16.130 -15.022 -8.359 1.00 15.21 C ATOM 136 O PHE A 9 15.066 -15.142 -8.967 1.00 71.31 O ATOM 137 CB PHE A 9 16.837 -13.519 -6.488 1.00 21.13 C ATOM 138 CG PHE A 9 15.670 -14.064 -5.715 1.00 23.31 C ATOM 139 CD1 PHE A 9 15.856 -15.046 -4.755 1.00 10.44 C ATOM 140 CD2 PHE A 9 14.388 -13.596 -5.949 1.00 55.32 C ATOM 141 CE1 PHE A 9 14.784 -15.549 -4.041 1.00 64.34 C ATOM 142 CE2 PHE A 9 13.312 -14.095 -5.239 1.00 23.21 C ATOM 143 CZ PHE A 9 13.511 -15.074 -4.285 1.00 33.02 C ATOM 0 H PHE A 9 14.898 -12.922 -8.850 1.00 53.32 H new ATOM 0 HA PHE A 9 17.651 -13.524 -8.476 1.00 62.03 H new ATOM 0 HB2 PHE A 9 17.742 -14.045 -6.183 1.00 21.13 H new ATOM 0 HB3 PHE A 9 16.976 -12.469 -6.229 1.00 21.13 H new ATOM 0 HD1 PHE A 9 16.850 -15.423 -4.562 1.00 10.44 H new ATOM 0 HD2 PHE A 9 14.227 -12.832 -6.695 1.00 55.32 H new ATOM 0 HE1 PHE A 9 14.942 -16.312 -3.294 1.00 64.34 H new ATOM 0 HE2 PHE A 9 12.317 -13.720 -5.430 1.00 23.21 H new ATOM 0 HZ PHE A 9 12.672 -15.467 -3.731 1.00 33.02 H new ATOM 153 N ARG A 10 16.865 -16.060 -7.975 1.00 2.34 N ATOM 154 CA ARG A 10 16.456 -17.431 -8.253 1.00 31.10 C ATOM 155 C ARG A 10 16.126 -18.173 -6.961 1.00 53.21 C ATOM 156 O ARG A 10 16.606 -17.813 -5.886 1.00 63.41 O ATOM 157 CB ARG A 10 17.560 -18.171 -9.011 1.00 34.32 C ATOM 158 CG ARG A 10 17.484 -17.999 -10.519 1.00 72.00 C ATOM 159 CD ARG A 10 17.899 -19.268 -11.246 1.00 63.23 C ATOM 160 NE ARG A 10 17.105 -19.493 -12.451 1.00 64.52 N ATOM 161 CZ ARG A 10 17.343 -18.891 -13.611 1.00 71.11 C ATOM 162 NH1 ARG A 10 18.347 -18.032 -13.722 1.00 55.23 N ATOM 163 NH2 ARG A 10 16.576 -19.148 -14.663 1.00 30.21 N ATOM 0 H ARG A 10 17.747 -15.977 -7.470 1.00 2.34 H new ATOM 0 HA ARG A 10 15.559 -17.398 -8.872 1.00 31.10 H new ATOM 0 HB2 ARG A 10 18.530 -17.816 -8.662 1.00 34.32 H new ATOM 0 HB3 ARG A 10 17.504 -19.233 -8.772 1.00 34.32 H new ATOM 0 HG2 ARG A 10 16.467 -17.731 -10.805 1.00 72.00 H new ATOM 0 HG3 ARG A 10 18.129 -17.175 -10.825 1.00 72.00 H new ATOM 0 HD2 ARG A 10 18.954 -19.204 -11.514 1.00 63.23 H new ATOM 0 HD3 ARG A 10 17.791 -20.121 -10.576 1.00 63.23 H new ATOM 0 HE ARG A 10 16.325 -20.148 -12.399 1.00 64.52 H new ATOM 0 HH11 ARG A 10 18.939 -17.832 -12.916 1.00 55.23 H new ATOM 0 HH12 ARG A 10 18.528 -17.571 -14.614 1.00 55.23 H new ATOM 0 HH21 ARG A 10 15.803 -19.808 -14.581 1.00 30.21 H new ATOM 0 HH22 ARG A 10 16.760 -18.685 -15.553 1.00 30.21 H new ATOM 177 N VAL A 11 15.302 -19.210 -7.074 1.00 54.31 N ATOM 178 CA VAL A 11 14.907 -20.003 -5.916 1.00 3.42 C ATOM 179 C VAL A 11 14.980 -21.495 -6.221 1.00 4.45 C ATOM 180 O VAL A 11 14.560 -21.942 -7.287 1.00 45.02 O ATOM 181 CB VAL A 11 13.479 -19.653 -5.456 1.00 63.13 C ATOM 182 CG1 VAL A 11 13.364 -18.167 -5.154 1.00 4.14 C ATOM 183 CG2 VAL A 11 12.464 -20.071 -6.509 1.00 31.31 C ATOM 0 H VAL A 11 14.895 -19.521 -7.956 1.00 54.31 H new ATOM 0 HA VAL A 11 15.607 -19.764 -5.115 1.00 3.42 H new ATOM 0 HB VAL A 11 13.266 -20.203 -4.539 1.00 63.13 H new ATOM 0 HG11 VAL A 11 12.348 -17.939 -4.831 1.00 4.14 H new ATOM 0 HG12 VAL A 11 14.065 -17.901 -4.363 1.00 4.14 H new ATOM 0 HG13 VAL A 11 13.596 -17.594 -6.052 1.00 4.14 H new ATOM 0 HG21 VAL A 11 11.460 -19.817 -6.168 1.00 31.31 H new ATOM 0 HG22 VAL A 11 12.673 -19.550 -7.443 1.00 31.31 H new ATOM 0 HG23 VAL A 11 12.530 -21.147 -6.671 1.00 31.31 H new ATOM 193 N ALA A 12 15.516 -22.260 -5.276 1.00 23.33 N ATOM 194 CA ALA A 12 15.642 -23.703 -5.442 1.00 3.13 C ATOM 195 C ALA A 12 14.963 -24.449 -4.298 1.00 53.43 C ATOM 196 O ALA A 12 15.310 -24.266 -3.131 1.00 54.44 O ATOM 197 CB ALA A 12 17.109 -24.097 -5.534 1.00 31.52 C ATOM 0 H ALA A 12 15.870 -21.905 -4.388 1.00 23.33 H new ATOM 0 HA ALA A 12 15.143 -23.982 -6.370 1.00 3.13 H new ATOM 0 HB1 ALA A 12 17.189 -25.177 -5.658 1.00 31.52 H new ATOM 0 HB2 ALA A 12 17.567 -23.599 -6.389 1.00 31.52 H new ATOM 0 HB3 ALA A 12 17.624 -23.797 -4.621 1.00 31.52 H new ATOM 203 N VAL A 13 13.992 -25.290 -4.641 1.00 11.33 N ATOM 204 CA VAL A 13 13.264 -26.064 -3.642 1.00 55.45 C ATOM 205 C VAL A 13 14.022 -27.332 -3.270 1.00 21.40 C ATOM 206 O VAL A 13 14.489 -28.067 -4.139 1.00 41.04 O ATOM 207 CB VAL A 13 11.859 -26.447 -4.145 1.00 30.10 C ATOM 208 CG1 VAL A 13 11.956 -27.363 -5.356 1.00 4.52 C ATOM 209 CG2 VAL A 13 11.057 -27.105 -3.032 1.00 52.23 C ATOM 0 H VAL A 13 13.692 -25.453 -5.602 1.00 11.33 H new ATOM 0 HA VAL A 13 13.166 -25.431 -2.760 1.00 55.45 H new ATOM 0 HB VAL A 13 11.340 -25.538 -4.448 1.00 30.10 H new ATOM 0 HG11 VAL A 13 10.954 -27.623 -5.697 1.00 4.52 H new ATOM 0 HG12 VAL A 13 12.491 -26.852 -6.157 1.00 4.52 H new ATOM 0 HG13 VAL A 13 12.493 -28.271 -5.083 1.00 4.52 H new ATOM 0 HG21 VAL A 13 10.067 -27.369 -3.404 1.00 52.23 H new ATOM 0 HG22 VAL A 13 11.571 -28.006 -2.697 1.00 52.23 H new ATOM 0 HG23 VAL A 13 10.957 -26.412 -2.197 1.00 52.23 H new ATOM 219 N GLY A 14 14.141 -27.584 -1.970 1.00 31.42 N ATOM 220 CA GLY A 14 14.844 -28.766 -1.504 1.00 54.33 C ATOM 221 C GLY A 14 14.516 -29.105 -0.064 1.00 4.14 C ATOM 222 O GLY A 14 13.457 -28.735 0.443 1.00 70.21 O ATOM 0 H GLY A 14 13.763 -26.991 -1.231 1.00 31.42 H new ATOM 0 HA2 GLY A 14 14.587 -29.612 -2.141 1.00 54.33 H new ATOM 0 HA3 GLY A 14 15.918 -28.608 -1.601 1.00 54.33 H new ATOM 226 N ARG A 15 15.427 -29.812 0.598 1.00 50.23 N ATOM 227 CA ARG A 15 15.228 -30.204 1.988 1.00 43.51 C ATOM 228 C ARG A 15 16.474 -29.909 2.819 1.00 14.10 C ATOM 229 O ARG A 15 17.599 -30.110 2.362 1.00 30.53 O ATOM 230 CB ARG A 15 14.883 -31.691 2.077 1.00 63.25 C ATOM 231 CG ARG A 15 13.697 -32.094 1.215 1.00 3.32 C ATOM 232 CD ARG A 15 12.466 -32.380 2.061 1.00 65.41 C ATOM 233 NE ARG A 15 11.454 -33.127 1.319 1.00 41.23 N ATOM 234 CZ ARG A 15 11.521 -34.435 1.098 1.00 55.03 C ATOM 235 NH1 ARG A 15 12.545 -35.138 1.560 1.00 45.40 N ATOM 236 NH2 ARG A 15 10.560 -35.043 0.413 1.00 30.14 N ATOM 0 H ARG A 15 16.310 -30.125 0.194 1.00 50.23 H new ATOM 0 HA ARG A 15 14.398 -29.622 2.388 1.00 43.51 H new ATOM 0 HB2 ARG A 15 15.753 -32.276 1.779 1.00 63.25 H new ATOM 0 HB3 ARG A 15 14.669 -31.944 3.115 1.00 63.25 H new ATOM 0 HG2 ARG A 15 13.475 -31.298 0.505 1.00 3.32 H new ATOM 0 HG3 ARG A 15 13.953 -32.979 0.632 1.00 3.32 H new ATOM 0 HD2 ARG A 15 12.758 -32.945 2.946 1.00 65.41 H new ATOM 0 HD3 ARG A 15 12.039 -31.440 2.410 1.00 65.41 H new ATOM 0 HE ARG A 15 10.652 -32.616 0.950 1.00 41.23 H new ATOM 0 HH11 ARG A 15 13.285 -34.675 2.087 1.00 45.40 H new ATOM 0 HH12 ARG A 15 12.593 -36.142 1.388 1.00 45.40 H new ATOM 0 HH21 ARG A 15 9.770 -34.506 0.056 1.00 30.14 H new ATOM 0 HH22 ARG A 15 10.612 -36.047 0.243 1.00 30.14 H new ATOM 250 N ASP A 16 16.264 -29.430 4.040 1.00 33.54 N ATOM 251 CA ASP A 16 17.369 -29.108 4.936 1.00 72.32 C ATOM 252 C ASP A 16 17.605 -30.237 5.935 1.00 44.33 C ATOM 253 O ASP A 16 16.957 -31.281 5.872 1.00 54.10 O ATOM 254 CB ASP A 16 17.086 -27.802 5.680 1.00 21.41 C ATOM 255 CG ASP A 16 15.663 -27.728 6.198 1.00 42.50 C ATOM 256 OD1 ASP A 16 15.055 -28.796 6.420 1.00 4.25 O ATOM 257 OD2 ASP A 16 15.158 -26.601 6.382 1.00 53.34 O ATOM 0 H ASP A 16 15.339 -29.256 4.432 1.00 33.54 H new ATOM 0 HA ASP A 16 18.269 -28.986 4.334 1.00 72.32 H new ATOM 0 HB2 ASP A 16 17.779 -27.706 6.516 1.00 21.41 H new ATOM 0 HB3 ASP A 16 17.271 -26.960 5.013 1.00 21.41 H new ATOM 262 N SER A 17 18.540 -30.019 6.855 1.00 35.40 N ATOM 263 CA SER A 17 18.866 -31.020 7.865 1.00 55.15 C ATOM 264 C SER A 17 17.756 -31.122 8.906 1.00 13.04 C ATOM 265 O SER A 17 17.572 -32.165 9.533 1.00 35.40 O ATOM 266 CB SER A 17 20.191 -30.674 8.547 1.00 74.05 C ATOM 267 OG SER A 17 21.244 -30.591 7.602 1.00 12.01 O ATOM 0 H SER A 17 19.085 -29.159 6.922 1.00 35.40 H new ATOM 0 HA SER A 17 18.963 -31.985 7.367 1.00 55.15 H new ATOM 0 HB2 SER A 17 20.095 -29.725 9.074 1.00 74.05 H new ATOM 0 HB3 SER A 17 20.428 -31.431 9.294 1.00 74.05 H new ATOM 0 HG SER A 17 22.080 -30.367 8.062 1.00 12.01 H new ATOM 273 N SER A 18 17.019 -30.030 9.086 1.00 72.42 N ATOM 274 CA SER A 18 15.929 -29.994 10.054 1.00 21.31 C ATOM 275 C SER A 18 14.744 -30.824 9.569 1.00 11.23 C ATOM 276 O SER A 18 14.365 -31.811 10.197 1.00 35.32 O ATOM 277 CB SER A 18 15.488 -28.551 10.304 1.00 51.24 C ATOM 278 OG SER A 18 14.210 -28.507 10.915 1.00 5.55 O ATOM 0 H SER A 18 17.157 -29.159 8.574 1.00 72.42 H new ATOM 0 HA SER A 18 16.292 -30.422 10.989 1.00 21.31 H new ATOM 0 HB2 SER A 18 16.217 -28.050 10.941 1.00 51.24 H new ATOM 0 HB3 SER A 18 15.462 -28.007 9.360 1.00 51.24 H new ATOM 0 HG SER A 18 13.951 -27.574 11.066 1.00 5.55 H new ATOM 284 N GLY A 19 14.163 -30.414 8.446 1.00 54.22 N ATOM 285 CA GLY A 19 13.026 -31.129 7.895 1.00 44.03 C ATOM 286 C GLY A 19 11.775 -30.275 7.839 1.00 23.02 C ATOM 287 O GLY A 19 10.693 -30.723 8.219 1.00 54.02 O ATOM 0 H GLY A 19 14.459 -29.600 7.908 1.00 54.22 H new ATOM 0 HA2 GLY A 19 13.271 -31.476 6.891 1.00 44.03 H new ATOM 0 HA3 GLY A 19 12.831 -32.015 8.499 1.00 44.03 H new ATOM 291 N CYS A 20 11.923 -29.042 7.367 1.00 20.31 N ATOM 292 CA CYS A 20 10.796 -28.122 7.266 1.00 73.12 C ATOM 293 C CYS A 20 10.471 -27.819 5.807 1.00 51.02 C ATOM 294 O CYS A 20 9.401 -27.296 5.493 1.00 72.44 O ATOM 295 CB CYS A 20 11.102 -26.823 8.013 1.00 31.53 C ATOM 296 SG CYS A 20 10.832 -26.918 9.799 1.00 64.33 S ATOM 0 H CYS A 20 12.812 -28.657 7.048 1.00 20.31 H new ATOM 0 HA CYS A 20 9.928 -28.599 7.722 1.00 73.12 H new ATOM 0 HB2 CYS A 20 12.140 -26.545 7.827 1.00 31.53 H new ATOM 0 HB3 CYS A 20 10.481 -26.026 7.604 1.00 31.53 H new ATOM 0 HG CYS A 20 10.028 -25.965 10.168 1.00 64.33 H new ATOM 302 N THR A 21 11.402 -28.149 4.917 1.00 5.24 N ATOM 303 CA THR A 21 11.217 -27.909 3.492 1.00 60.51 C ATOM 304 C THR A 21 11.135 -26.417 3.191 1.00 73.40 C ATOM 305 O THR A 21 10.073 -25.805 3.316 1.00 23.32 O ATOM 306 CB THR A 21 9.943 -28.598 2.968 1.00 70.44 C ATOM 307 OG1 THR A 21 9.768 -29.863 3.616 1.00 73.10 O ATOM 308 CG2 THR A 21 10.018 -28.801 1.462 1.00 51.02 C ATOM 0 H THR A 21 12.292 -28.584 5.159 1.00 5.24 H new ATOM 0 HA THR A 21 12.085 -28.331 2.985 1.00 60.51 H new ATOM 0 HB THR A 21 9.091 -27.955 3.191 1.00 70.44 H new ATOM 0 HG1 THR A 21 8.955 -30.294 3.279 1.00 73.10 H new ATOM 0 HG21 THR A 21 9.107 -29.289 1.115 1.00 51.02 H new ATOM 0 HG22 THR A 21 10.122 -27.834 0.969 1.00 51.02 H new ATOM 0 HG23 THR A 21 10.879 -29.425 1.221 1.00 51.02 H new ATOM 316 N THR A 22 12.262 -25.835 2.793 1.00 73.55 N ATOM 317 CA THR A 22 12.317 -24.414 2.474 1.00 71.40 C ATOM 318 C THR A 22 13.228 -24.154 1.280 1.00 54.43 C ATOM 319 O THR A 22 14.116 -24.952 0.977 1.00 54.20 O ATOM 320 CB THR A 22 12.815 -23.588 3.675 1.00 61.40 C ATOM 321 OG1 THR A 22 13.284 -22.310 3.230 1.00 35.51 O ATOM 322 CG2 THR A 22 13.932 -24.317 4.407 1.00 62.03 C ATOM 0 H THR A 22 13.149 -26.326 2.684 1.00 73.55 H new ATOM 0 HA THR A 22 11.301 -24.106 2.227 1.00 71.40 H new ATOM 0 HB THR A 22 11.981 -23.449 4.363 1.00 61.40 H new ATOM 0 HG1 THR A 22 13.597 -21.790 4.000 1.00 35.51 H new ATOM 0 HG21 THR A 22 14.268 -23.715 5.251 1.00 62.03 H new ATOM 0 HG22 THR A 22 13.564 -25.277 4.770 1.00 62.03 H new ATOM 0 HG23 THR A 22 14.766 -24.483 3.725 1.00 62.03 H new ATOM 330 N LEU A 23 13.003 -23.032 0.604 1.00 31.12 N ATOM 331 CA LEU A 23 13.805 -22.665 -0.558 1.00 74.21 C ATOM 332 C LEU A 23 14.949 -21.739 -0.160 1.00 25.43 C ATOM 333 O LEU A 23 14.906 -21.099 0.891 1.00 42.25 O ATOM 334 CB LEU A 23 12.929 -21.987 -1.613 1.00 33.10 C ATOM 335 CG LEU A 23 12.159 -22.921 -2.547 1.00 74.02 C ATOM 336 CD1 LEU A 23 11.279 -23.870 -1.748 1.00 5.04 C ATOM 337 CD2 LEU A 23 11.322 -22.118 -3.533 1.00 33.44 C ATOM 0 H LEU A 23 12.272 -22.361 0.841 1.00 31.12 H new ATOM 0 HA LEU A 23 14.230 -23.577 -0.978 1.00 74.21 H new ATOM 0 HB2 LEU A 23 12.212 -21.344 -1.102 1.00 33.10 H new ATOM 0 HB3 LEU A 23 13.562 -21.339 -2.220 1.00 33.10 H new ATOM 0 HG LEU A 23 12.879 -23.514 -3.110 1.00 74.02 H new ATOM 0 HD11 LEU A 23 10.739 -24.527 -2.430 1.00 5.04 H new ATOM 0 HD12 LEU A 23 11.901 -24.470 -1.083 1.00 5.04 H new ATOM 0 HD13 LEU A 23 10.566 -23.295 -1.158 1.00 5.04 H new ATOM 0 HD21 LEU A 23 10.781 -22.799 -4.190 1.00 33.44 H new ATOM 0 HD22 LEU A 23 10.611 -21.499 -2.987 1.00 33.44 H new ATOM 0 HD23 LEU A 23 11.975 -21.480 -4.130 1.00 33.44 H new ATOM 349 N SER A 24 15.972 -21.673 -1.007 1.00 12.45 N ATOM 350 CA SER A 24 17.129 -20.826 -0.742 1.00 64.11 C ATOM 351 C SER A 24 17.330 -19.814 -1.866 1.00 12.44 C ATOM 352 O SER A 24 16.959 -20.062 -3.013 1.00 65.33 O ATOM 353 CB SER A 24 18.387 -21.682 -0.581 1.00 3.20 C ATOM 354 OG SER A 24 18.094 -23.057 -0.755 1.00 62.32 O ATOM 0 H SER A 24 16.023 -22.195 -1.882 1.00 12.45 H new ATOM 0 HA SER A 24 16.946 -20.282 0.185 1.00 64.11 H new ATOM 0 HB2 SER A 24 19.137 -21.372 -1.309 1.00 3.20 H new ATOM 0 HB3 SER A 24 18.816 -21.521 0.408 1.00 3.20 H new ATOM 0 HG SER A 24 17.571 -23.379 0.009 1.00 62.32 H new ATOM 360 N ILE A 25 17.918 -18.672 -1.526 1.00 41.41 N ATOM 361 CA ILE A 25 18.169 -17.622 -2.505 1.00 41.54 C ATOM 362 C ILE A 25 19.592 -17.704 -3.048 1.00 30.15 C ATOM 363 O ILE A 25 20.548 -17.855 -2.287 1.00 72.13 O ATOM 364 CB ILE A 25 17.942 -16.223 -1.902 1.00 0.11 C ATOM 365 CG1 ILE A 25 19.027 -15.906 -0.870 1.00 72.53 C ATOM 366 CG2 ILE A 25 16.561 -16.137 -1.270 1.00 11.33 C ATOM 367 CD1 ILE A 25 18.794 -14.609 -0.127 1.00 62.54 C ATOM 0 H ILE A 25 18.229 -18.450 -0.580 1.00 41.41 H new ATOM 0 HA ILE A 25 17.462 -17.777 -3.320 1.00 41.54 H new ATOM 0 HB ILE A 25 18.001 -15.485 -2.702 1.00 0.11 H new ATOM 0 HG12 ILE A 25 19.082 -16.723 -0.150 1.00 72.53 H new ATOM 0 HG13 ILE A 25 19.993 -15.859 -1.373 1.00 72.53 H new ATOM 0 HG21 ILE A 25 16.415 -15.143 -0.848 1.00 11.33 H new ATOM 0 HG22 ILE A 25 15.801 -16.324 -2.029 1.00 11.33 H new ATOM 0 HG23 ILE A 25 16.476 -16.883 -0.479 1.00 11.33 H new ATOM 0 HD11 ILE A 25 19.601 -14.449 0.587 1.00 62.54 H new ATOM 0 HD12 ILE A 25 18.769 -13.782 -0.837 1.00 62.54 H new ATOM 0 HD13 ILE A 25 17.844 -14.660 0.405 1.00 62.54 H new ATOM 379 N GLN A 26 19.724 -17.602 -4.366 1.00 72.22 N ATOM 380 CA GLN A 26 21.031 -17.664 -5.010 1.00 33.33 C ATOM 381 C GLN A 26 21.539 -16.266 -5.346 1.00 73.25 C ATOM 382 O GLN A 26 22.742 -16.049 -5.481 1.00 23.30 O ATOM 383 CB GLN A 26 20.957 -18.513 -6.280 1.00 42.24 C ATOM 384 CG GLN A 26 20.453 -19.927 -6.039 1.00 43.34 C ATOM 385 CD GLN A 26 19.247 -20.269 -6.891 1.00 34.23 C ATOM 386 OE1 GLN A 26 19.349 -20.396 -8.111 1.00 42.32 O ATOM 387 NE2 GLN A 26 18.094 -20.421 -6.250 1.00 34.52 N ATOM 0 H GLN A 26 18.942 -17.476 -5.009 1.00 72.22 H new ATOM 0 HA GLN A 26 21.730 -18.126 -4.313 1.00 33.33 H new ATOM 0 HB2 GLN A 26 20.302 -18.020 -6.999 1.00 42.24 H new ATOM 0 HB3 GLN A 26 21.947 -18.562 -6.733 1.00 42.24 H new ATOM 0 HG2 GLN A 26 21.254 -20.635 -6.249 1.00 43.34 H new ATOM 0 HG3 GLN A 26 20.194 -20.042 -4.986 1.00 43.34 H new ATOM 0 HE21 GLN A 26 18.055 -20.307 -5.237 1.00 34.52 H new ATOM 0 HE22 GLN A 26 17.248 -20.652 -6.770 1.00 34.52 H new ATOM 396 N GLU A 27 20.613 -15.322 -5.481 1.00 74.05 N ATOM 397 CA GLU A 27 20.968 -13.945 -5.804 1.00 30.01 C ATOM 398 C GLU A 27 20.345 -12.974 -4.805 1.00 22.23 C ATOM 399 O GLU A 27 19.806 -13.384 -3.777 1.00 24.54 O ATOM 400 CB GLU A 27 20.513 -13.596 -7.222 1.00 74.14 C ATOM 401 CG GLU A 27 21.587 -12.921 -8.058 1.00 2.22 C ATOM 402 CD GLU A 27 22.710 -13.866 -8.439 1.00 73.22 C ATOM 403 OE1 GLU A 27 23.674 -13.410 -9.089 1.00 11.12 O ATOM 404 OE2 GLU A 27 22.624 -15.062 -8.089 1.00 2.31 O ATOM 0 H GLU A 27 19.612 -15.485 -5.372 1.00 74.05 H new ATOM 0 HA GLU A 27 22.053 -13.854 -5.746 1.00 30.01 H new ATOM 0 HB2 GLU A 27 20.192 -14.508 -7.726 1.00 74.14 H new ATOM 0 HB3 GLU A 27 19.644 -12.941 -7.164 1.00 74.14 H new ATOM 0 HG2 GLU A 27 21.136 -12.515 -8.963 1.00 2.22 H new ATOM 0 HG3 GLU A 27 21.999 -12.079 -7.502 1.00 2.22 H new ATOM 411 N VAL A 28 20.424 -11.684 -5.115 1.00 12.15 N ATOM 412 CA VAL A 28 19.868 -10.654 -4.245 1.00 41.33 C ATOM 413 C VAL A 28 18.535 -10.143 -4.781 1.00 21.22 C ATOM 414 O VAL A 28 18.411 -9.817 -5.962 1.00 1.02 O ATOM 415 CB VAL A 28 20.836 -9.466 -4.093 1.00 4.33 C ATOM 416 CG1 VAL A 28 20.608 -8.757 -2.766 1.00 71.32 C ATOM 417 CG2 VAL A 28 22.278 -9.935 -4.214 1.00 63.23 C ATOM 0 H VAL A 28 20.867 -11.327 -5.962 1.00 12.15 H new ATOM 0 HA VAL A 28 19.712 -11.114 -3.269 1.00 41.33 H new ATOM 0 HB VAL A 28 20.640 -8.756 -4.896 1.00 4.33 H new ATOM 0 HG11 VAL A 28 21.301 -7.921 -2.677 1.00 71.32 H new ATOM 0 HG12 VAL A 28 19.584 -8.386 -2.723 1.00 71.32 H new ATOM 0 HG13 VAL A 28 20.775 -9.456 -1.947 1.00 71.32 H new ATOM 0 HG21 VAL A 28 22.948 -9.083 -4.104 1.00 63.23 H new ATOM 0 HG22 VAL A 28 22.490 -10.666 -3.434 1.00 63.23 H new ATOM 0 HG23 VAL A 28 22.431 -10.393 -5.191 1.00 63.23 H new ATOM 427 N THR A 29 17.538 -10.076 -3.904 1.00 0.50 N ATOM 428 CA THR A 29 16.213 -9.605 -4.288 1.00 21.20 C ATOM 429 C THR A 29 15.809 -8.378 -3.479 1.00 23.13 C ATOM 430 O THR A 29 14.822 -7.714 -3.793 1.00 32.52 O ATOM 431 CB THR A 29 15.150 -10.704 -4.098 1.00 42.22 C ATOM 432 OG1 THR A 29 13.859 -10.205 -4.464 1.00 50.42 O ATOM 433 CG2 THR A 29 15.123 -11.187 -2.656 1.00 13.10 C ATOM 0 H THR A 29 17.623 -10.342 -2.923 1.00 0.50 H new ATOM 0 HA THR A 29 16.266 -9.339 -5.344 1.00 21.20 H new ATOM 0 HB THR A 29 15.409 -11.545 -4.741 1.00 42.22 H new ATOM 0 HG1 THR A 29 13.860 -9.226 -4.412 1.00 50.42 H new ATOM 0 HG21 THR A 29 14.365 -11.963 -2.546 1.00 13.10 H new ATOM 0 HG22 THR A 29 16.099 -11.593 -2.390 1.00 13.10 H new ATOM 0 HG23 THR A 29 14.886 -10.352 -1.997 1.00 13.10 H new ATOM 441 N GLN A 30 16.580 -8.082 -2.437 1.00 33.42 N ATOM 442 CA GLN A 30 16.301 -6.934 -1.583 1.00 12.03 C ATOM 443 C GLN A 30 17.021 -5.690 -2.092 1.00 11.44 C ATOM 444 O GLN A 30 17.117 -4.683 -1.389 1.00 14.14 O ATOM 445 CB GLN A 30 16.723 -7.229 -0.142 1.00 54.42 C ATOM 446 CG GLN A 30 16.295 -8.602 0.348 1.00 32.42 C ATOM 447 CD GLN A 30 15.592 -8.550 1.690 1.00 21.34 C ATOM 448 OE1 GLN A 30 14.895 -7.584 2.002 1.00 30.30 O ATOM 449 NE2 GLN A 30 15.772 -9.592 2.494 1.00 71.11 N ATOM 0 H GLN A 30 17.402 -8.621 -2.164 1.00 33.42 H new ATOM 0 HA GLN A 30 15.228 -6.746 -1.608 1.00 12.03 H new ATOM 0 HB2 GLN A 30 17.807 -7.147 -0.066 1.00 54.42 H new ATOM 0 HB3 GLN A 30 16.299 -6.469 0.515 1.00 54.42 H new ATOM 0 HG2 GLN A 30 15.631 -9.056 -0.388 1.00 32.42 H new ATOM 0 HG3 GLN A 30 17.172 -9.245 0.426 1.00 32.42 H new ATOM 0 HE21 GLN A 30 16.358 -10.372 2.195 1.00 71.11 H new ATOM 0 HE22 GLN A 30 15.324 -9.613 3.410 1.00 71.11 H new ATOM 458 N THR A 31 17.527 -5.765 -3.319 1.00 1.24 N ATOM 459 CA THR A 31 18.240 -4.646 -3.921 1.00 50.43 C ATOM 460 C THR A 31 17.449 -4.051 -5.081 1.00 5.41 C ATOM 461 O THR A 31 18.000 -3.332 -5.916 1.00 35.20 O ATOM 462 CB THR A 31 19.630 -5.073 -4.428 1.00 44.33 C ATOM 463 OG1 THR A 31 19.593 -6.434 -4.872 1.00 3.32 O ATOM 464 CG2 THR A 31 20.676 -4.919 -3.334 1.00 41.23 C ATOM 0 H THR A 31 17.456 -6.590 -3.915 1.00 1.24 H new ATOM 0 HA THR A 31 18.361 -3.893 -3.143 1.00 50.43 H new ATOM 0 HB THR A 31 19.902 -4.427 -5.262 1.00 44.33 H new ATOM 0 HG1 THR A 31 20.428 -6.649 -5.339 1.00 3.32 H new ATOM 0 HG21 THR A 31 21.650 -5.227 -3.716 1.00 41.23 H new ATOM 0 HG22 THR A 31 20.723 -3.876 -3.019 1.00 41.23 H new ATOM 0 HG23 THR A 31 20.406 -5.543 -2.482 1.00 41.23 H new ATOM 472 N TYR A 32 16.157 -4.353 -5.126 1.00 71.03 N ATOM 473 CA TYR A 32 15.291 -3.849 -6.185 1.00 53.14 C ATOM 474 C TYR A 32 14.141 -3.031 -5.606 1.00 0.44 C ATOM 475 O TYR A 32 13.648 -3.316 -4.514 1.00 12.12 O ATOM 476 CB TYR A 32 14.738 -5.008 -7.016 1.00 61.31 C ATOM 477 CG TYR A 32 15.760 -5.632 -7.940 1.00 33.32 C ATOM 478 CD1 TYR A 32 15.821 -5.276 -9.282 1.00 33.54 C ATOM 479 CD2 TYR A 32 16.663 -6.578 -7.471 1.00 60.23 C ATOM 480 CE1 TYR A 32 16.752 -5.844 -10.130 1.00 31.45 C ATOM 481 CE2 TYR A 32 17.598 -7.150 -8.312 1.00 25.15 C ATOM 482 CZ TYR A 32 17.639 -6.780 -9.640 1.00 32.23 C ATOM 483 OH TYR A 32 18.568 -7.349 -10.480 1.00 43.22 O ATOM 0 H TYR A 32 15.686 -4.944 -4.441 1.00 71.03 H new ATOM 0 HA TYR A 32 15.887 -3.201 -6.828 1.00 53.14 H new ATOM 0 HB2 TYR A 32 14.352 -5.774 -6.344 1.00 61.31 H new ATOM 0 HB3 TYR A 32 13.896 -4.650 -7.608 1.00 61.31 H new ATOM 0 HD1 TYR A 32 15.129 -4.543 -9.669 1.00 33.54 H new ATOM 0 HD2 TYR A 32 16.634 -6.871 -6.432 1.00 60.23 H new ATOM 0 HE1 TYR A 32 16.785 -5.557 -11.171 1.00 31.45 H new ATOM 0 HE2 TYR A 32 18.293 -7.883 -7.931 1.00 25.15 H new ATOM 0 HH TYR A 32 19.116 -7.987 -9.977 1.00 43.22 H new ATOM 493 N THR A 33 13.717 -2.010 -6.345 1.00 63.44 N ATOM 494 CA THR A 33 12.627 -1.149 -5.907 1.00 35.33 C ATOM 495 C THR A 33 11.903 -0.529 -7.097 1.00 3.25 C ATOM 496 O THR A 33 12.462 -0.419 -8.187 1.00 23.20 O ATOM 497 CB THR A 33 13.135 -0.024 -4.986 1.00 33.14 C ATOM 498 OG1 THR A 33 14.058 -0.554 -4.028 1.00 63.23 O ATOM 499 CG2 THR A 33 11.977 0.648 -4.263 1.00 20.23 C ATOM 0 H THR A 33 14.113 -1.760 -7.251 1.00 63.44 H new ATOM 0 HA THR A 33 11.932 -1.778 -5.350 1.00 35.33 H new ATOM 0 HB THR A 33 13.639 0.720 -5.603 1.00 33.14 H new ATOM 0 HG1 THR A 33 14.951 -0.185 -4.195 1.00 63.23 H new ATOM 0 HG21 THR A 33 12.360 1.439 -3.618 1.00 20.23 H new ATOM 0 HG22 THR A 33 11.291 1.076 -4.994 1.00 20.23 H new ATOM 0 HG23 THR A 33 11.449 -0.089 -3.658 1.00 20.23 H new ATOM 507 N GLY A 34 10.656 -0.123 -6.879 1.00 52.12 N ATOM 508 CA GLY A 34 9.877 0.482 -7.943 1.00 53.54 C ATOM 509 C GLY A 34 8.648 1.202 -7.425 1.00 15.03 C ATOM 510 O GLY A 34 8.246 2.231 -7.969 1.00 24.22 O ATOM 0 H GLY A 34 10.172 -0.202 -5.985 1.00 52.12 H new ATOM 0 HA2 GLY A 34 10.502 1.186 -8.492 1.00 53.54 H new ATOM 0 HA3 GLY A 34 9.571 -0.290 -8.649 1.00 53.54 H new ATOM 514 N SER A 35 8.047 0.659 -6.370 1.00 52.44 N ATOM 515 CA SER A 35 6.852 1.253 -5.781 1.00 44.55 C ATOM 516 C SER A 35 7.185 1.950 -4.465 1.00 74.13 C ATOM 517 O SER A 35 8.115 1.559 -3.761 1.00 54.13 O ATOM 518 CB SER A 35 5.785 0.182 -5.549 1.00 65.25 C ATOM 519 OG SER A 35 6.044 -0.973 -6.330 1.00 1.45 O ATOM 0 H SER A 35 8.368 -0.191 -5.906 1.00 52.44 H new ATOM 0 HA SER A 35 6.464 1.996 -6.478 1.00 44.55 H new ATOM 0 HB2 SER A 35 5.759 -0.087 -4.493 1.00 65.25 H new ATOM 0 HB3 SER A 35 4.803 0.582 -5.800 1.00 65.25 H new ATOM 0 HG SER A 35 5.737 -0.822 -7.248 1.00 1.45 H new ATOM 525 N ASN A 36 6.416 2.985 -4.140 1.00 63.34 N ATOM 526 CA ASN A 36 6.628 3.737 -2.909 1.00 44.22 C ATOM 527 C ASN A 36 8.083 4.181 -2.786 1.00 61.44 C ATOM 528 O ASN A 36 8.622 4.278 -1.685 1.00 65.11 O ATOM 529 CB ASN A 36 6.237 2.891 -1.696 1.00 3.11 C ATOM 530 CG ASN A 36 5.350 3.647 -0.726 1.00 31.11 C ATOM 531 OD1 ASN A 36 5.630 3.707 0.471 1.00 4.53 O ATOM 532 ND2 ASN A 36 4.272 4.228 -1.240 1.00 31.42 N ATOM 0 H ASN A 36 5.641 3.321 -4.712 1.00 63.34 H new ATOM 0 HA ASN A 36 5.997 4.625 -2.942 1.00 44.22 H new ATOM 0 HB2 ASN A 36 5.719 1.994 -2.034 1.00 3.11 H new ATOM 0 HB3 ASN A 36 7.139 2.563 -1.179 1.00 3.11 H new ATOM 0 HD21 ASN A 36 3.637 4.750 -0.636 1.00 31.42 H new ATOM 0 HD22 ASN A 36 4.079 4.152 -2.239 1.00 31.42 H new ATOM 539 N GLY A 37 8.713 4.449 -3.926 1.00 73.15 N ATOM 540 CA GLY A 37 10.099 4.879 -3.925 1.00 14.21 C ATOM 541 C GLY A 37 10.677 4.977 -5.323 1.00 30.13 C ATOM 542 O GLY A 37 10.939 6.072 -5.819 1.00 33.23 O ATOM 0 H GLY A 37 8.288 4.376 -4.850 1.00 73.15 H new ATOM 0 HA2 GLY A 37 10.175 5.850 -3.435 1.00 14.21 H new ATOM 0 HA3 GLY A 37 10.693 4.179 -3.338 1.00 14.21 H new ATOM 546 N GLY A 38 10.879 3.827 -5.960 1.00 12.32 N ATOM 547 CA GLY A 38 11.430 3.810 -7.302 1.00 4.00 C ATOM 548 C GLY A 38 12.931 4.021 -7.315 1.00 4.43 C ATOM 549 O GLY A 38 13.406 5.133 -7.543 1.00 44.32 O ATOM 0 H GLY A 38 10.671 2.908 -5.570 1.00 12.32 H new ATOM 0 HA2 GLY A 38 11.196 2.856 -7.775 1.00 4.00 H new ATOM 0 HA3 GLY A 38 10.952 4.587 -7.898 1.00 4.00 H new ATOM 553 N ALA A 39 13.680 2.952 -7.067 1.00 21.32 N ATOM 554 CA ALA A 39 15.136 3.025 -7.051 1.00 52.10 C ATOM 555 C ALA A 39 15.751 1.660 -6.765 1.00 23.41 C ATOM 556 O ALA A 39 15.997 1.308 -5.611 1.00 15.22 O ATOM 557 CB ALA A 39 15.602 4.043 -6.020 1.00 73.32 C ATOM 0 H ALA A 39 13.302 2.024 -6.874 1.00 21.32 H new ATOM 0 HA ALA A 39 15.470 3.345 -8.038 1.00 52.10 H new ATOM 0 HB1 ALA A 39 16.691 4.087 -6.019 1.00 73.32 H new ATOM 0 HB2 ALA A 39 15.199 5.025 -6.270 1.00 73.32 H new ATOM 0 HB3 ALA A 39 15.250 3.747 -5.032 1.00 73.32 H new ATOM 563 N ASP A 40 15.998 0.894 -7.822 1.00 72.11 N ATOM 564 CA ASP A 40 16.585 -0.434 -7.684 1.00 43.33 C ATOM 565 C ASP A 40 18.108 -0.352 -7.643 1.00 21.45 C ATOM 566 O ASP A 40 18.750 -0.014 -8.638 1.00 20.21 O ATOM 567 CB ASP A 40 16.142 -1.333 -8.839 1.00 33.41 C ATOM 568 CG ASP A 40 16.591 -0.808 -10.188 1.00 54.51 C ATOM 569 OD1 ASP A 40 15.888 0.058 -10.752 1.00 21.13 O ATOM 570 OD2 ASP A 40 17.645 -1.261 -10.680 1.00 50.30 O ATOM 0 H ASP A 40 15.801 1.170 -8.784 1.00 72.11 H new ATOM 0 HA ASP A 40 16.236 -0.863 -6.745 1.00 43.33 H new ATOM 0 HB2 ASP A 40 16.545 -2.335 -8.690 1.00 33.41 H new ATOM 0 HB3 ASP A 40 15.056 -1.421 -8.830 1.00 33.41 H new ATOM 575 N LEU A 41 18.680 -0.663 -6.485 1.00 23.43 N ATOM 576 CA LEU A 41 20.128 -0.625 -6.312 1.00 44.22 C ATOM 577 C LEU A 41 20.543 -1.337 -5.028 1.00 41.55 C ATOM 578 O LEU A 41 19.743 -2.038 -4.410 1.00 63.54 O ATOM 579 CB LEU A 41 20.620 0.823 -6.288 1.00 4.44 C ATOM 580 CG LEU A 41 21.928 1.101 -7.031 1.00 33.14 C ATOM 581 CD1 LEU A 41 21.646 1.569 -8.450 1.00 2.32 C ATOM 582 CD2 LEU A 41 22.758 2.133 -6.281 1.00 63.43 C ATOM 0 H LEU A 41 18.163 -0.944 -5.652 1.00 23.43 H new ATOM 0 HA LEU A 41 20.584 -1.144 -7.156 1.00 44.22 H new ATOM 0 HB2 LEU A 41 19.842 1.457 -6.714 1.00 4.44 H new ATOM 0 HB3 LEU A 41 20.745 1.126 -5.248 1.00 4.44 H new ATOM 0 HG LEU A 41 22.499 0.174 -7.083 1.00 33.14 H new ATOM 0 HD11 LEU A 41 22.588 1.762 -8.963 1.00 2.32 H new ATOM 0 HD12 LEU A 41 21.093 0.797 -8.985 1.00 2.32 H new ATOM 0 HD13 LEU A 41 21.055 2.484 -8.421 1.00 2.32 H new ATOM 0 HD21 LEU A 41 23.685 2.319 -6.824 1.00 63.43 H new ATOM 0 HD22 LEU A 41 22.194 3.062 -6.197 1.00 63.43 H new ATOM 0 HD23 LEU A 41 22.990 1.758 -5.284 1.00 63.43 H new ATOM 594 N MET A 42 21.798 -1.148 -4.632 1.00 73.55 N ATOM 595 CA MET A 42 22.317 -1.770 -3.420 1.00 22.11 C ATOM 596 C MET A 42 22.644 -0.717 -2.366 1.00 42.22 C ATOM 597 O MET A 42 23.480 0.158 -2.588 1.00 24.03 O ATOM 598 CB MET A 42 23.566 -2.594 -3.739 1.00 21.44 C ATOM 599 CG MET A 42 23.451 -3.401 -5.022 1.00 34.13 C ATOM 600 SD MET A 42 24.295 -4.991 -4.921 1.00 3.01 S ATOM 601 CE MET A 42 26.008 -4.470 -4.988 1.00 15.54 C ATOM 0 H MET A 42 22.473 -0.570 -5.132 1.00 73.55 H new ATOM 0 HA MET A 42 21.547 -2.430 -3.022 1.00 22.11 H new ATOM 0 HB2 MET A 42 24.423 -1.925 -3.816 1.00 21.44 H new ATOM 0 HB3 MET A 42 23.765 -3.272 -2.909 1.00 21.44 H new ATOM 0 HG2 MET A 42 22.398 -3.567 -5.249 1.00 34.13 H new ATOM 0 HG3 MET A 42 23.868 -2.825 -5.848 1.00 34.13 H new ATOM 0 HE1 MET A 42 26.657 -5.344 -4.936 1.00 15.54 H new ATOM 0 HE2 MET A 42 26.190 -3.938 -5.922 1.00 15.54 H new ATOM 0 HE3 MET A 42 26.221 -3.810 -4.147 1.00 15.54 H new ATOM 611 N GLY A 43 21.978 -0.807 -1.219 1.00 3.02 N ATOM 612 CA GLY A 43 22.212 0.145 -0.149 1.00 23.25 C ATOM 613 C GLY A 43 21.633 -0.316 1.174 1.00 32.02 C ATOM 614 O GLY A 43 22.350 -0.773 2.065 1.00 54.21 O ATOM 0 H GLY A 43 21.281 -1.522 -1.012 1.00 3.02 H new ATOM 0 HA2 GLY A 43 23.284 0.305 -0.037 1.00 23.25 H new ATOM 0 HA3 GLY A 43 21.773 1.106 -0.419 1.00 23.25 H new ATOM 618 N PRO A 44 20.304 -0.196 1.317 1.00 65.35 N ATOM 619 CA PRO A 44 19.600 -0.598 2.538 1.00 52.33 C ATOM 620 C PRO A 44 19.582 -2.111 2.726 1.00 42.21 C ATOM 621 O PRO A 44 19.173 -2.611 3.773 1.00 11.33 O ATOM 622 CB PRO A 44 18.180 -0.070 2.318 1.00 40.41 C ATOM 623 CG PRO A 44 18.027 0.000 0.838 1.00 51.53 C ATOM 624 CD PRO A 44 19.388 0.340 0.296 1.00 20.21 C ATOM 0 HA PRO A 44 20.082 -0.206 3.434 1.00 52.33 H new ATOM 0 HB2 PRO A 44 17.438 -0.734 2.762 1.00 40.41 H new ATOM 0 HB3 PRO A 44 18.046 0.910 2.777 1.00 40.41 H new ATOM 0 HG2 PRO A 44 17.674 -0.950 0.437 1.00 51.53 H new ATOM 0 HG3 PRO A 44 17.295 0.757 0.557 1.00 51.53 H new ATOM 0 HD2 PRO A 44 19.559 -0.118 -0.678 1.00 20.21 H new ATOM 0 HD3 PRO A 44 19.513 1.415 0.168 1.00 20.21 H new ATOM 632 N ALA A 45 20.029 -2.835 1.705 1.00 42.20 N ATOM 633 CA ALA A 45 20.067 -4.291 1.760 1.00 51.14 C ATOM 634 C ALA A 45 21.193 -4.777 2.665 1.00 21.33 C ATOM 635 O ALA A 45 20.989 -5.645 3.515 1.00 64.14 O ATOM 636 CB ALA A 45 20.226 -4.868 0.361 1.00 54.55 C ATOM 0 H ALA A 45 20.370 -2.437 0.830 1.00 42.20 H new ATOM 0 HA ALA A 45 19.123 -4.639 2.180 1.00 51.14 H new ATOM 0 HB1 ALA A 45 20.253 -5.956 0.417 1.00 54.55 H new ATOM 0 HB2 ALA A 45 19.385 -4.557 -0.259 1.00 54.55 H new ATOM 0 HB3 ALA A 45 21.154 -4.504 -0.079 1.00 54.55 H new ATOM 642 N PHE A 46 22.382 -4.214 2.478 1.00 11.42 N ATOM 643 CA PHE A 46 23.541 -4.591 3.278 1.00 65.54 C ATOM 644 C PHE A 46 23.350 -4.190 4.737 1.00 2.32 C ATOM 645 O PHE A 46 24.060 -4.668 5.622 1.00 53.23 O ATOM 646 CB PHE A 46 24.807 -3.938 2.719 1.00 64.52 C ATOM 647 CG PHE A 46 26.075 -4.489 3.306 1.00 63.50 C ATOM 648 CD1 PHE A 46 26.327 -5.852 3.289 1.00 5.21 C ATOM 649 CD2 PHE A 46 27.015 -3.645 3.875 1.00 31.13 C ATOM 650 CE1 PHE A 46 27.493 -6.362 3.828 1.00 24.12 C ATOM 651 CE2 PHE A 46 28.183 -4.150 4.415 1.00 13.45 C ATOM 652 CZ PHE A 46 28.422 -5.510 4.393 1.00 13.20 C ATOM 0 H PHE A 46 22.568 -3.495 1.779 1.00 11.42 H new ATOM 0 HA PHE A 46 23.647 -5.675 3.229 1.00 65.54 H new ATOM 0 HB2 PHE A 46 24.828 -4.072 1.638 1.00 64.52 H new ATOM 0 HB3 PHE A 46 24.766 -2.865 2.906 1.00 64.52 H new ATOM 0 HD1 PHE A 46 25.604 -6.523 2.850 1.00 5.21 H new ATOM 0 HD2 PHE A 46 26.833 -2.581 3.897 1.00 31.13 H new ATOM 0 HE1 PHE A 46 27.678 -7.426 3.807 1.00 24.12 H new ATOM 0 HE2 PHE A 46 28.908 -3.481 4.854 1.00 13.45 H new ATOM 0 HZ PHE A 46 29.333 -5.906 4.816 1.00 13.20 H new ATOM 662 N ALA A 47 22.387 -3.307 4.980 1.00 35.43 N ATOM 663 CA ALA A 47 22.100 -2.842 6.332 1.00 42.24 C ATOM 664 C ALA A 47 21.420 -3.930 7.155 1.00 73.34 C ATOM 665 O ALA A 47 21.481 -3.922 8.384 1.00 62.14 O ATOM 666 CB ALA A 47 21.234 -1.592 6.287 1.00 53.04 C ATOM 0 H ALA A 47 21.792 -2.899 4.259 1.00 35.43 H new ATOM 0 HA ALA A 47 23.047 -2.598 6.814 1.00 42.24 H new ATOM 0 HB1 ALA A 47 21.027 -1.256 7.303 1.00 53.04 H new ATOM 0 HB2 ALA A 47 21.758 -0.806 5.744 1.00 53.04 H new ATOM 0 HB3 ALA A 47 20.295 -1.818 5.782 1.00 53.04 H new ATOM 672 N ALA A 48 20.771 -4.866 6.469 1.00 54.42 N ATOM 673 CA ALA A 48 20.080 -5.961 7.137 1.00 73.41 C ATOM 674 C ALA A 48 20.961 -7.204 7.209 1.00 42.34 C ATOM 675 O ALA A 48 20.759 -8.072 8.056 1.00 72.42 O ATOM 676 CB ALA A 48 18.775 -6.278 6.420 1.00 25.12 C ATOM 0 H ALA A 48 20.710 -4.887 5.451 1.00 54.42 H new ATOM 0 HA ALA A 48 19.855 -5.647 8.156 1.00 73.41 H new ATOM 0 HB1 ALA A 48 18.270 -7.098 6.930 1.00 25.12 H new ATOM 0 HB2 ALA A 48 18.133 -5.397 6.425 1.00 25.12 H new ATOM 0 HB3 ALA A 48 18.986 -6.567 5.390 1.00 25.12 H new ATOM 682 N GLY A 49 21.941 -7.282 6.313 1.00 54.55 N ATOM 683 CA GLY A 49 22.838 -8.422 6.291 1.00 33.04 C ATOM 684 C GLY A 49 22.392 -9.493 5.315 1.00 14.44 C ATOM 685 O GLY A 49 22.865 -10.629 5.369 1.00 12.42 O ATOM 0 H GLY A 49 22.129 -6.575 5.602 1.00 54.55 H new ATOM 0 HA2 GLY A 49 23.840 -8.087 6.024 1.00 33.04 H new ATOM 0 HA3 GLY A 49 22.901 -8.850 7.291 1.00 33.04 H new ATOM 689 N LEU A 50 21.477 -9.132 4.422 1.00 63.03 N ATOM 690 CA LEU A 50 20.965 -10.071 3.430 1.00 62.04 C ATOM 691 C LEU A 50 22.030 -10.397 2.388 1.00 43.04 C ATOM 692 O LEU A 50 22.569 -9.502 1.736 1.00 65.52 O ATOM 693 CB LEU A 50 19.725 -9.494 2.745 1.00 41.24 C ATOM 694 CG LEU A 50 19.907 -8.140 2.057 1.00 61.31 C ATOM 695 CD1 LEU A 50 20.029 -8.319 0.551 1.00 13.55 C ATOM 696 CD2 LEU A 50 18.750 -7.211 2.394 1.00 61.00 C ATOM 0 H LEU A 50 21.075 -8.196 4.364 1.00 63.03 H new ATOM 0 HA LEU A 50 20.693 -10.992 3.945 1.00 62.04 H new ATOM 0 HB2 LEU A 50 19.377 -10.212 2.003 1.00 41.24 H new ATOM 0 HB3 LEU A 50 18.935 -9.397 3.490 1.00 41.24 H new ATOM 0 HG LEU A 50 20.828 -7.688 2.424 1.00 61.31 H new ATOM 0 HD11 LEU A 50 20.158 -7.345 0.078 1.00 13.55 H new ATOM 0 HD12 LEU A 50 20.891 -8.948 0.328 1.00 13.55 H new ATOM 0 HD13 LEU A 50 19.126 -8.792 0.166 1.00 13.55 H new ATOM 0 HD21 LEU A 50 18.896 -6.252 1.896 1.00 61.00 H new ATOM 0 HD22 LEU A 50 17.815 -7.657 2.055 1.00 61.00 H new ATOM 0 HD23 LEU A 50 18.709 -7.057 3.472 1.00 61.00 H new ATOM 708 N ARG A 51 22.327 -11.683 2.235 1.00 70.44 N ATOM 709 CA ARG A 51 23.327 -12.128 1.271 1.00 52.51 C ATOM 710 C ARG A 51 22.908 -13.442 0.620 1.00 73.33 C ATOM 711 O ARG A 51 22.115 -14.199 1.179 1.00 34.53 O ATOM 712 CB ARG A 51 24.685 -12.295 1.954 1.00 44.42 C ATOM 713 CG ARG A 51 25.427 -10.984 2.164 1.00 35.32 C ATOM 714 CD ARG A 51 26.098 -10.512 0.884 1.00 30.31 C ATOM 715 NE ARG A 51 27.331 -9.777 1.152 1.00 63.52 N ATOM 716 CZ ARG A 51 28.488 -10.363 1.440 1.00 20.44 C ATOM 717 NH1 ARG A 51 28.569 -11.686 1.498 1.00 41.51 N ATOM 718 NH2 ARG A 51 29.567 -9.626 1.672 1.00 71.43 N ATOM 0 H ARG A 51 21.889 -12.436 2.766 1.00 70.44 H new ATOM 0 HA ARG A 51 23.410 -11.368 0.494 1.00 52.51 H new ATOM 0 HB2 ARG A 51 24.539 -12.779 2.920 1.00 44.42 H new ATOM 0 HB3 ARG A 51 25.305 -12.961 1.354 1.00 44.42 H new ATOM 0 HG2 ARG A 51 24.730 -10.222 2.513 1.00 35.32 H new ATOM 0 HG3 ARG A 51 26.178 -11.111 2.944 1.00 35.32 H new ATOM 0 HD2 ARG A 51 26.319 -11.372 0.252 1.00 30.31 H new ATOM 0 HD3 ARG A 51 25.410 -9.876 0.327 1.00 30.31 H new ATOM 0 HE ARG A 51 27.302 -8.758 1.116 1.00 63.52 H new ATOM 0 HH11 ARG A 51 27.742 -12.256 1.321 1.00 41.51 H new ATOM 0 HH12 ARG A 51 29.459 -12.133 1.719 1.00 41.51 H new ATOM 0 HH21 ARG A 51 29.509 -8.609 1.629 1.00 71.43 H new ATOM 0 HH22 ARG A 51 30.455 -10.077 1.893 1.00 71.43 H new ATOM 732 N VAL A 52 23.446 -13.707 -0.567 1.00 33.03 N ATOM 733 CA VAL A 52 23.128 -14.930 -1.294 1.00 65.13 C ATOM 734 C VAL A 52 23.414 -16.164 -0.446 1.00 35.05 C ATOM 735 O VAL A 52 24.542 -16.382 -0.008 1.00 64.20 O ATOM 736 CB VAL A 52 23.930 -15.027 -2.606 1.00 53.41 C ATOM 737 CG1 VAL A 52 23.476 -13.958 -3.589 1.00 3.32 C ATOM 738 CG2 VAL A 52 25.421 -14.910 -2.329 1.00 51.30 C ATOM 0 H VAL A 52 24.104 -13.091 -1.045 1.00 33.03 H new ATOM 0 HA VAL A 52 22.064 -14.891 -1.528 1.00 65.13 H new ATOM 0 HB VAL A 52 23.743 -16.003 -3.055 1.00 53.41 H new ATOM 0 HG11 VAL A 52 24.053 -14.042 -4.510 1.00 3.32 H new ATOM 0 HG12 VAL A 52 22.417 -14.094 -3.811 1.00 3.32 H new ATOM 0 HG13 VAL A 52 23.632 -12.972 -3.152 1.00 3.32 H new ATOM 0 HG21 VAL A 52 25.972 -14.981 -3.267 1.00 51.30 H new ATOM 0 HG22 VAL A 52 25.629 -13.950 -1.857 1.00 51.30 H new ATOM 0 HG23 VAL A 52 25.732 -15.716 -1.664 1.00 51.30 H new ATOM 748 N GLY A 53 22.381 -16.970 -0.217 1.00 11.23 N ATOM 749 CA GLY A 53 22.541 -18.173 0.579 1.00 52.11 C ATOM 750 C GLY A 53 21.623 -18.197 1.785 1.00 74.03 C ATOM 751 O GLY A 53 21.670 -19.126 2.591 1.00 31.10 O ATOM 0 H GLY A 53 21.437 -16.811 -0.568 1.00 11.23 H new ATOM 0 HA2 GLY A 53 22.341 -19.046 -0.043 1.00 52.11 H new ATOM 0 HA3 GLY A 53 23.576 -18.249 0.913 1.00 52.11 H new ATOM 755 N ASP A 54 20.786 -17.173 1.910 1.00 50.34 N ATOM 756 CA ASP A 54 19.853 -17.079 3.026 1.00 31.45 C ATOM 757 C ASP A 54 18.451 -17.502 2.600 1.00 73.22 C ATOM 758 O ASP A 54 17.825 -16.853 1.763 1.00 53.42 O ATOM 759 CB ASP A 54 19.824 -15.653 3.577 1.00 53.45 C ATOM 760 CG ASP A 54 21.213 -15.081 3.778 1.00 64.04 C ATOM 761 OD1 ASP A 54 22.166 -15.875 3.927 1.00 40.05 O ATOM 762 OD2 ASP A 54 21.348 -13.840 3.785 1.00 5.23 O ATOM 0 H ASP A 54 20.735 -16.396 1.251 1.00 50.34 H new ATOM 0 HA ASP A 54 20.194 -17.755 3.810 1.00 31.45 H new ATOM 0 HB2 ASP A 54 19.267 -15.014 2.892 1.00 53.45 H new ATOM 0 HB3 ASP A 54 19.290 -15.645 4.527 1.00 53.45 H new ATOM 767 N GLN A 55 17.965 -18.595 3.180 1.00 2.25 N ATOM 768 CA GLN A 55 16.638 -19.105 2.858 1.00 14.34 C ATOM 769 C GLN A 55 15.553 -18.171 3.385 1.00 2.40 C ATOM 770 O GLN A 55 15.344 -18.064 4.594 1.00 4.23 O ATOM 771 CB GLN A 55 16.450 -20.505 3.445 1.00 60.03 C ATOM 772 CG GLN A 55 17.549 -21.480 3.055 1.00 23.10 C ATOM 773 CD GLN A 55 17.009 -22.839 2.656 1.00 63.22 C ATOM 774 OE1 GLN A 55 16.763 -23.101 1.478 1.00 52.50 O ATOM 775 NE2 GLN A 55 16.822 -23.714 3.637 1.00 5.12 N ATOM 0 H GLN A 55 18.471 -19.144 3.875 1.00 2.25 H new ATOM 0 HA GLN A 55 16.551 -19.159 1.773 1.00 14.34 H new ATOM 0 HB2 GLN A 55 16.409 -20.432 4.532 1.00 60.03 H new ATOM 0 HB3 GLN A 55 15.490 -20.902 3.116 1.00 60.03 H new ATOM 0 HG2 GLN A 55 18.122 -21.063 2.226 1.00 23.10 H new ATOM 0 HG3 GLN A 55 18.238 -21.598 3.891 1.00 23.10 H new ATOM 0 HE21 GLN A 55 17.039 -23.455 4.599 1.00 5.12 H new ATOM 0 HE22 GLN A 55 16.461 -24.645 3.428 1.00 5.12 H new ATOM 784 N LEU A 56 14.866 -17.496 2.470 1.00 13.45 N ATOM 785 CA LEU A 56 13.802 -16.569 2.843 1.00 72.34 C ATOM 786 C LEU A 56 12.500 -17.316 3.116 1.00 24.34 C ATOM 787 O LEU A 56 11.882 -17.862 2.203 1.00 73.42 O ATOM 788 CB LEU A 56 13.587 -15.537 1.735 1.00 41.34 C ATOM 789 CG LEU A 56 14.591 -14.385 1.687 1.00 3.51 C ATOM 790 CD1 LEU A 56 14.822 -13.936 0.252 1.00 33.13 C ATOM 791 CD2 LEU A 56 14.109 -13.221 2.541 1.00 54.24 C ATOM 0 H LEU A 56 15.026 -17.573 1.466 1.00 13.45 H new ATOM 0 HA LEU A 56 14.104 -16.056 3.756 1.00 72.34 H new ATOM 0 HB2 LEU A 56 13.611 -16.053 0.775 1.00 41.34 H new ATOM 0 HB3 LEU A 56 12.587 -15.117 1.846 1.00 41.34 H new ATOM 0 HG LEU A 56 15.539 -14.739 2.092 1.00 3.51 H new ATOM 0 HD11 LEU A 56 15.539 -13.115 0.239 1.00 33.13 H new ATOM 0 HD12 LEU A 56 15.213 -14.769 -0.332 1.00 33.13 H new ATOM 0 HD13 LEU A 56 13.879 -13.601 -0.181 1.00 33.13 H new ATOM 0 HD21 LEU A 56 14.836 -12.410 2.495 1.00 54.24 H new ATOM 0 HD22 LEU A 56 13.148 -12.868 2.166 1.00 54.24 H new ATOM 0 HD23 LEU A 56 13.997 -13.550 3.574 1.00 54.24 H new ATOM 803 N VAL A 57 12.089 -17.334 4.380 1.00 21.53 N ATOM 804 CA VAL A 57 10.859 -18.011 4.774 1.00 23.34 C ATOM 805 C VAL A 57 9.744 -17.009 5.049 1.00 50.25 C ATOM 806 O VAL A 57 8.664 -17.090 4.462 1.00 24.23 O ATOM 807 CB VAL A 57 11.074 -18.880 6.028 1.00 13.22 C ATOM 808 CG1 VAL A 57 9.817 -19.675 6.348 1.00 1.14 C ATOM 809 CG2 VAL A 57 12.266 -19.805 5.837 1.00 31.14 C ATOM 0 H VAL A 57 12.590 -16.888 5.148 1.00 21.53 H new ATOM 0 HA VAL A 57 10.570 -18.652 3.941 1.00 23.34 H new ATOM 0 HB VAL A 57 11.285 -18.224 6.872 1.00 13.22 H new ATOM 0 HG11 VAL A 57 9.987 -20.283 7.237 1.00 1.14 H new ATOM 0 HG12 VAL A 57 8.990 -18.989 6.531 1.00 1.14 H new ATOM 0 HG13 VAL A 57 9.572 -20.323 5.506 1.00 1.14 H new ATOM 0 HG21 VAL A 57 12.403 -20.411 6.732 1.00 31.14 H new ATOM 0 HG22 VAL A 57 12.088 -20.456 4.981 1.00 31.14 H new ATOM 0 HG23 VAL A 57 13.163 -19.211 5.660 1.00 31.14 H new ATOM 819 N ARG A 58 10.012 -16.063 5.943 1.00 64.20 N ATOM 820 CA ARG A 58 9.031 -15.044 6.296 1.00 60.43 C ATOM 821 C ARG A 58 7.700 -15.683 6.682 1.00 52.51 C ATOM 822 O ARG A 58 6.639 -15.083 6.510 1.00 54.44 O ATOM 823 CB ARG A 58 8.826 -14.078 5.128 1.00 54.30 C ATOM 824 CG ARG A 58 8.911 -12.614 5.527 1.00 2.41 C ATOM 825 CD ARG A 58 7.574 -11.911 5.356 1.00 13.52 C ATOM 826 NE ARG A 58 7.276 -11.020 6.475 1.00 24.32 N ATOM 827 CZ ARG A 58 6.057 -10.572 6.754 1.00 64.20 C ATOM 828 NH1 ARG A 58 5.027 -10.930 5.999 1.00 4.35 N ATOM 829 NH2 ARG A 58 5.867 -9.765 7.790 1.00 52.03 N ATOM 0 H ARG A 58 10.901 -15.981 6.436 1.00 64.20 H new ATOM 0 HA ARG A 58 9.411 -14.490 7.154 1.00 60.43 H new ATOM 0 HB2 ARG A 58 9.576 -14.282 4.363 1.00 54.30 H new ATOM 0 HB3 ARG A 58 7.852 -14.267 4.678 1.00 54.30 H new ATOM 0 HG2 ARG A 58 9.233 -12.537 6.565 1.00 2.41 H new ATOM 0 HG3 ARG A 58 9.666 -12.114 4.921 1.00 2.41 H new ATOM 0 HD2 ARG A 58 7.582 -11.338 4.429 1.00 13.52 H new ATOM 0 HD3 ARG A 58 6.783 -12.655 5.264 1.00 13.52 H new ATOM 0 HE ARG A 58 8.047 -10.726 7.075 1.00 24.32 H new ATOM 0 HH11 ARG A 58 5.170 -11.551 5.202 1.00 4.35 H new ATOM 0 HH12 ARG A 58 4.092 -10.585 6.215 1.00 4.35 H new ATOM 0 HH21 ARG A 58 6.657 -9.488 8.373 1.00 52.03 H new ATOM 0 HH22 ARG A 58 4.931 -9.421 8.004 1.00 52.03 H new ATOM 843 N PHE A 59 7.764 -16.903 7.205 1.00 40.44 N ATOM 844 CA PHE A 59 6.564 -17.623 7.614 1.00 60.12 C ATOM 845 C PHE A 59 6.819 -18.425 8.887 1.00 71.45 C ATOM 846 O PHE A 59 7.918 -18.935 9.102 1.00 70.31 O ATOM 847 CB PHE A 59 6.097 -18.556 6.494 1.00 12.25 C ATOM 848 CG PHE A 59 5.427 -17.839 5.357 1.00 12.24 C ATOM 849 CD1 PHE A 59 5.898 -17.975 4.062 1.00 51.15 C ATOM 850 CD2 PHE A 59 4.326 -17.028 5.584 1.00 23.25 C ATOM 851 CE1 PHE A 59 5.283 -17.317 3.013 1.00 45.13 C ATOM 852 CE2 PHE A 59 3.708 -16.368 4.540 1.00 75.13 C ATOM 853 CZ PHE A 59 4.187 -16.512 3.252 1.00 4.55 C ATOM 0 H PHE A 59 8.634 -17.414 7.356 1.00 40.44 H new ATOM 0 HA PHE A 59 5.782 -16.891 7.817 1.00 60.12 H new ATOM 0 HB2 PHE A 59 6.955 -19.108 6.110 1.00 12.25 H new ATOM 0 HB3 PHE A 59 5.406 -19.290 6.908 1.00 12.25 H new ATOM 0 HD1 PHE A 59 6.756 -18.602 3.869 1.00 51.15 H new ATOM 0 HD2 PHE A 59 3.947 -16.911 6.589 1.00 23.25 H new ATOM 0 HE1 PHE A 59 5.660 -17.433 2.007 1.00 45.13 H new ATOM 0 HE2 PHE A 59 2.851 -15.740 4.730 1.00 75.13 H new ATOM 0 HZ PHE A 59 3.705 -15.996 2.434 1.00 4.55 H new ATOM 863 N ALA A 60 5.795 -18.532 9.727 1.00 53.12 N ATOM 864 CA ALA A 60 5.906 -19.273 10.977 1.00 3.41 C ATOM 865 C ALA A 60 5.955 -20.775 10.723 1.00 63.35 C ATOM 866 O ALA A 60 4.956 -21.383 10.340 1.00 43.12 O ATOM 867 CB ALA A 60 4.746 -18.929 11.899 1.00 31.24 C ATOM 0 H ALA A 60 4.879 -18.115 9.564 1.00 53.12 H new ATOM 0 HA ALA A 60 6.839 -18.983 11.461 1.00 3.41 H new ATOM 0 HB1 ALA A 60 4.842 -19.490 12.829 1.00 31.24 H new ATOM 0 HB2 ALA A 60 4.758 -17.861 12.116 1.00 31.24 H new ATOM 0 HB3 ALA A 60 3.806 -19.190 11.413 1.00 31.24 H new ATOM 873 N GLY A 61 7.125 -21.370 10.937 1.00 43.40 N ATOM 874 CA GLY A 61 7.282 -22.797 10.725 1.00 45.44 C ATOM 875 C GLY A 61 8.503 -23.127 9.889 1.00 24.33 C ATOM 876 O GLY A 61 8.769 -24.294 9.600 1.00 74.40 O ATOM 0 H GLY A 61 7.967 -20.889 11.253 1.00 43.40 H new ATOM 0 HA2 GLY A 61 7.359 -23.298 11.690 1.00 45.44 H new ATOM 0 HA3 GLY A 61 6.392 -23.188 10.233 1.00 45.44 H new ATOM 880 N TYR A 62 9.248 -22.099 9.499 1.00 13.44 N ATOM 881 CA TYR A 62 10.445 -22.285 8.689 1.00 61.34 C ATOM 882 C TYR A 62 10.103 -22.944 7.356 1.00 61.23 C ATOM 883 O TYR A 62 10.850 -23.786 6.855 1.00 34.33 O ATOM 884 CB TYR A 62 11.469 -23.135 9.442 1.00 25.23 C ATOM 885 CG TYR A 62 11.609 -22.763 10.901 1.00 31.02 C ATOM 886 CD1 TYR A 62 11.703 -21.433 11.293 1.00 35.21 C ATOM 887 CD2 TYR A 62 11.648 -23.741 11.887 1.00 0.24 C ATOM 888 CE1 TYR A 62 11.831 -21.088 12.625 1.00 73.33 C ATOM 889 CE2 TYR A 62 11.775 -23.405 13.221 1.00 35.14 C ATOM 890 CZ TYR A 62 11.866 -22.078 13.585 1.00 13.30 C ATOM 891 OH TYR A 62 11.993 -21.739 14.913 1.00 63.33 O ATOM 0 H TYR A 62 9.043 -21.127 9.731 1.00 13.44 H new ATOM 0 HA TYR A 62 10.874 -21.303 8.490 1.00 61.34 H new ATOM 0 HB2 TYR A 62 11.182 -24.184 9.369 1.00 25.23 H new ATOM 0 HB3 TYR A 62 12.439 -23.036 8.956 1.00 25.23 H new ATOM 0 HD1 TYR A 62 11.676 -20.656 10.544 1.00 35.21 H new ATOM 0 HD2 TYR A 62 11.578 -24.781 11.606 1.00 0.24 H new ATOM 0 HE1 TYR A 62 11.903 -20.050 12.913 1.00 73.33 H new ATOM 0 HE2 TYR A 62 11.803 -24.178 13.975 1.00 35.14 H new ATOM 0 HH TYR A 62 12.000 -22.553 15.459 1.00 63.33 H new ATOM 901 N THR A 63 8.968 -22.554 6.784 1.00 30.00 N ATOM 902 CA THR A 63 8.525 -23.106 5.510 1.00 51.51 C ATOM 903 C THR A 63 8.109 -21.999 4.547 1.00 72.51 C ATOM 904 O THR A 63 7.608 -20.955 4.964 1.00 22.02 O ATOM 905 CB THR A 63 7.345 -24.077 5.698 1.00 32.33 C ATOM 906 OG1 THR A 63 6.808 -24.449 4.424 1.00 55.51 O ATOM 907 CG2 THR A 63 6.254 -23.445 6.550 1.00 71.34 C ATOM 0 H THR A 63 8.339 -21.858 7.183 1.00 30.00 H new ATOM 0 HA THR A 63 9.371 -23.651 5.090 1.00 51.51 H new ATOM 0 HB THR A 63 7.713 -24.966 6.209 1.00 32.33 H new ATOM 0 HG1 THR A 63 6.059 -25.068 4.553 1.00 55.51 H new ATOM 0 HG21 THR A 63 5.431 -24.150 6.669 1.00 71.34 H new ATOM 0 HG22 THR A 63 6.659 -23.191 7.530 1.00 71.34 H new ATOM 0 HG23 THR A 63 5.890 -22.541 6.063 1.00 71.34 H new ATOM 915 N VAL A 64 8.318 -22.235 3.256 1.00 64.53 N ATOM 916 CA VAL A 64 7.963 -21.259 2.233 1.00 61.44 C ATOM 917 C VAL A 64 7.550 -21.947 0.936 1.00 30.44 C ATOM 918 O VAL A 64 7.946 -23.083 0.669 1.00 54.41 O ATOM 919 CB VAL A 64 9.133 -20.300 1.942 1.00 73.34 C ATOM 920 CG1 VAL A 64 10.197 -20.994 1.105 1.00 53.12 C ATOM 921 CG2 VAL A 64 8.631 -19.044 1.246 1.00 74.11 C ATOM 0 H VAL A 64 8.732 -23.094 2.894 1.00 64.53 H new ATOM 0 HA VAL A 64 7.121 -20.686 2.621 1.00 61.44 H new ATOM 0 HB VAL A 64 9.585 -20.007 2.890 1.00 73.34 H new ATOM 0 HG11 VAL A 64 11.015 -20.301 0.910 1.00 53.12 H new ATOM 0 HG12 VAL A 64 10.577 -21.861 1.645 1.00 53.12 H new ATOM 0 HG13 VAL A 64 9.762 -21.318 0.159 1.00 53.12 H new ATOM 0 HG21 VAL A 64 9.470 -18.378 1.048 1.00 74.11 H new ATOM 0 HG22 VAL A 64 8.153 -19.316 0.305 1.00 74.11 H new ATOM 0 HG23 VAL A 64 7.909 -18.537 1.886 1.00 74.11 H new ATOM 931 N THR A 65 6.751 -21.252 0.132 1.00 21.54 N ATOM 932 CA THR A 65 6.283 -21.796 -1.136 1.00 61.13 C ATOM 933 C THR A 65 7.313 -21.581 -2.240 1.00 32.43 C ATOM 934 O THR A 65 8.000 -22.516 -2.650 1.00 31.24 O ATOM 935 CB THR A 65 4.949 -21.156 -1.564 1.00 34.35 C ATOM 936 OG1 THR A 65 4.694 -19.985 -0.780 1.00 50.13 O ATOM 937 CG2 THR A 65 3.800 -22.141 -1.401 1.00 42.42 C ATOM 0 H THR A 65 6.415 -20.311 0.337 1.00 21.54 H new ATOM 0 HA THR A 65 6.133 -22.865 -0.985 1.00 61.13 H new ATOM 0 HB THR A 65 5.024 -20.880 -2.616 1.00 34.35 H new ATOM 0 HG1 THR A 65 3.830 -19.601 -1.037 1.00 50.13 H new ATOM 0 HG21 THR A 65 2.868 -21.667 -1.709 1.00 42.42 H new ATOM 0 HG22 THR A 65 3.983 -23.019 -2.020 1.00 42.42 H new ATOM 0 HG23 THR A 65 3.725 -22.443 -0.356 1.00 42.42 H new ATOM 945 N GLU A 66 7.414 -20.344 -2.716 1.00 22.33 N ATOM 946 CA GLU A 66 8.361 -20.008 -3.773 1.00 22.55 C ATOM 947 C GLU A 66 8.579 -18.500 -3.849 1.00 31.03 C ATOM 948 O GLU A 66 8.159 -17.755 -2.962 1.00 53.03 O ATOM 949 CB GLU A 66 7.861 -20.531 -5.121 1.00 23.42 C ATOM 950 CG GLU A 66 6.658 -19.775 -5.659 1.00 21.43 C ATOM 951 CD GLU A 66 5.538 -20.698 -6.098 1.00 61.34 C ATOM 952 OE1 GLU A 66 5.450 -20.988 -7.310 1.00 40.21 O ATOM 953 OE2 GLU A 66 4.750 -21.131 -5.232 1.00 0.43 O ATOM 0 H GLU A 66 6.852 -19.559 -2.387 1.00 22.33 H new ATOM 0 HA GLU A 66 9.313 -20.484 -3.537 1.00 22.55 H new ATOM 0 HB2 GLU A 66 8.671 -20.472 -5.847 1.00 23.42 H new ATOM 0 HB3 GLU A 66 7.601 -21.585 -5.019 1.00 23.42 H new ATOM 0 HG2 GLU A 66 6.286 -19.098 -4.890 1.00 21.43 H new ATOM 0 HG3 GLU A 66 6.968 -19.159 -6.503 1.00 21.43 H new ATOM 960 N LEU A 67 9.239 -18.057 -4.913 1.00 54.31 N ATOM 961 CA LEU A 67 9.513 -16.637 -5.106 1.00 65.03 C ATOM 962 C LEU A 67 8.232 -15.816 -5.008 1.00 52.11 C ATOM 963 O LEU A 67 8.242 -14.688 -4.517 1.00 11.32 O ATOM 964 CB LEU A 67 10.178 -16.406 -6.465 1.00 33.33 C ATOM 965 CG LEU A 67 9.444 -16.981 -7.677 1.00 11.11 C ATOM 966 CD1 LEU A 67 8.484 -15.954 -8.256 1.00 53.40 C ATOM 967 CD2 LEU A 67 10.438 -17.440 -8.734 1.00 11.22 C ATOM 0 H LEU A 67 9.594 -18.660 -5.655 1.00 54.31 H new ATOM 0 HA LEU A 67 10.191 -16.313 -4.316 1.00 65.03 H new ATOM 0 HB2 LEU A 67 10.295 -15.332 -6.612 1.00 33.33 H new ATOM 0 HB3 LEU A 67 11.180 -16.835 -6.435 1.00 33.33 H new ATOM 0 HG LEU A 67 8.866 -17.845 -7.351 1.00 11.11 H new ATOM 0 HD11 LEU A 67 7.971 -16.381 -9.118 1.00 53.40 H new ATOM 0 HD12 LEU A 67 7.751 -15.674 -7.499 1.00 53.40 H new ATOM 0 HD13 LEU A 67 9.041 -15.070 -8.567 1.00 53.40 H new ATOM 0 HD21 LEU A 67 9.898 -17.846 -9.589 1.00 11.22 H new ATOM 0 HD22 LEU A 67 11.043 -16.593 -9.056 1.00 11.22 H new ATOM 0 HD23 LEU A 67 11.085 -18.210 -8.315 1.00 11.22 H new ATOM 979 N ALA A 68 7.129 -16.391 -5.477 1.00 63.10 N ATOM 980 CA ALA A 68 5.839 -15.714 -5.438 1.00 71.32 C ATOM 981 C ALA A 68 5.466 -15.326 -4.012 1.00 13.43 C ATOM 982 O ALA A 68 4.950 -14.235 -3.770 1.00 40.44 O ATOM 983 CB ALA A 68 4.760 -16.599 -6.045 1.00 64.24 C ATOM 0 H ALA A 68 7.103 -17.324 -5.888 1.00 63.10 H new ATOM 0 HA ALA A 68 5.918 -14.800 -6.027 1.00 71.32 H new ATOM 0 HB1 ALA A 68 3.802 -16.081 -6.009 1.00 64.24 H new ATOM 0 HB2 ALA A 68 5.013 -16.823 -7.081 1.00 64.24 H new ATOM 0 HB3 ALA A 68 4.691 -17.528 -5.480 1.00 64.24 H new ATOM 989 N ALA A 69 5.729 -16.226 -3.070 1.00 11.51 N ATOM 990 CA ALA A 69 5.422 -15.976 -1.667 1.00 53.41 C ATOM 991 C ALA A 69 6.240 -14.808 -1.125 1.00 70.35 C ATOM 992 O ALA A 69 5.771 -14.050 -0.277 1.00 3.53 O ATOM 993 CB ALA A 69 5.674 -17.228 -0.840 1.00 55.24 C ATOM 0 H ALA A 69 6.154 -17.135 -3.253 1.00 11.51 H new ATOM 0 HA ALA A 69 4.367 -15.712 -1.594 1.00 53.41 H new ATOM 0 HB1 ALA A 69 5.441 -17.027 0.205 1.00 55.24 H new ATOM 0 HB2 ALA A 69 5.041 -18.038 -1.204 1.00 55.24 H new ATOM 0 HB3 ALA A 69 6.721 -17.518 -0.929 1.00 55.24 H new ATOM 999 N PHE A 70 7.465 -14.671 -1.621 1.00 4.42 N ATOM 1000 CA PHE A 70 8.350 -13.596 -1.185 1.00 31.21 C ATOM 1001 C PHE A 70 8.044 -12.302 -1.934 1.00 22.41 C ATOM 1002 O PHE A 70 8.299 -11.208 -1.433 1.00 72.01 O ATOM 1003 CB PHE A 70 9.812 -13.991 -1.402 1.00 21.12 C ATOM 1004 CG PHE A 70 10.777 -12.863 -1.177 1.00 45.40 C ATOM 1005 CD1 PHE A 70 11.348 -12.659 0.069 1.00 63.40 C ATOM 1006 CD2 PHE A 70 11.114 -12.005 -2.212 1.00 13.42 C ATOM 1007 CE1 PHE A 70 12.237 -11.622 0.279 1.00 23.12 C ATOM 1008 CE2 PHE A 70 12.002 -10.966 -2.008 1.00 3.13 C ATOM 1009 CZ PHE A 70 12.564 -10.774 -0.760 1.00 52.35 C ATOM 0 H PHE A 70 7.868 -15.290 -2.325 1.00 4.42 H new ATOM 0 HA PHE A 70 8.180 -13.428 -0.121 1.00 31.21 H new ATOM 0 HB2 PHE A 70 10.062 -14.812 -0.730 1.00 21.12 H new ATOM 0 HB3 PHE A 70 9.932 -14.364 -2.419 1.00 21.12 H new ATOM 0 HD1 PHE A 70 11.095 -13.319 0.886 1.00 63.40 H new ATOM 0 HD2 PHE A 70 10.678 -12.150 -3.189 1.00 13.42 H new ATOM 0 HE1 PHE A 70 12.675 -11.475 1.255 1.00 23.12 H new ATOM 0 HE2 PHE A 70 12.257 -10.305 -2.823 1.00 3.13 H new ATOM 0 HZ PHE A 70 13.258 -9.962 -0.598 1.00 52.35 H new ATOM 1019 N ASN A 71 7.497 -12.438 -3.138 1.00 11.35 N ATOM 1020 CA ASN A 71 7.157 -11.280 -3.957 1.00 62.21 C ATOM 1021 C ASN A 71 5.907 -10.585 -3.426 1.00 22.52 C ATOM 1022 O ASN A 71 5.785 -9.362 -3.496 1.00 61.04 O ATOM 1023 CB ASN A 71 6.939 -11.705 -5.411 1.00 5.22 C ATOM 1024 CG ASN A 71 6.368 -10.586 -6.260 1.00 71.24 C ATOM 1025 OD1 ASN A 71 5.206 -10.209 -6.110 1.00 12.25 O ATOM 1026 ND2 ASN A 71 7.185 -10.050 -7.160 1.00 75.41 N ATOM 0 H ASN A 71 7.280 -13.337 -3.568 1.00 11.35 H new ATOM 0 HA ASN A 71 7.989 -10.577 -3.911 1.00 62.21 H new ATOM 0 HB2 ASN A 71 7.887 -12.033 -5.837 1.00 5.22 H new ATOM 0 HB3 ASN A 71 6.264 -12.560 -5.440 1.00 5.22 H new ATOM 0 HD21 ASN A 71 6.856 -9.294 -7.761 1.00 75.41 H new ATOM 0 HD22 ASN A 71 8.141 -10.394 -7.250 1.00 75.41 H new ATOM 1033 N THR A 72 4.979 -11.375 -2.893 1.00 5.44 N ATOM 1034 CA THR A 72 3.739 -10.837 -2.350 1.00 14.43 C ATOM 1035 C THR A 72 3.981 -10.129 -1.021 1.00 72.13 C ATOM 1036 O THR A 72 3.393 -9.083 -0.747 1.00 53.13 O ATOM 1037 CB THR A 72 2.688 -11.944 -2.144 1.00 63.52 C ATOM 1038 OG1 THR A 72 1.512 -11.398 -1.537 1.00 23.10 O ATOM 1039 CG2 THR A 72 3.243 -13.061 -1.273 1.00 21.22 C ATOM 0 H THR A 72 5.064 -12.389 -2.826 1.00 5.44 H new ATOM 0 HA THR A 72 3.362 -10.119 -3.078 1.00 14.43 H new ATOM 0 HB THR A 72 2.433 -12.358 -3.120 1.00 63.52 H new ATOM 0 HG1 THR A 72 0.849 -12.108 -1.411 1.00 23.10 H new ATOM 0 HG21 THR A 72 2.483 -13.831 -1.141 1.00 21.22 H new ATOM 0 HG22 THR A 72 4.120 -13.495 -1.753 1.00 21.22 H new ATOM 0 HG23 THR A 72 3.524 -12.658 -0.300 1.00 21.22 H new ATOM 1047 N VAL A 73 4.851 -10.706 -0.199 1.00 22.22 N ATOM 1048 CA VAL A 73 5.173 -10.129 1.101 1.00 33.41 C ATOM 1049 C VAL A 73 6.007 -8.863 0.949 1.00 2.40 C ATOM 1050 O VAL A 73 5.781 -7.870 1.642 1.00 64.50 O ATOM 1051 CB VAL A 73 5.937 -11.132 1.986 1.00 5.51 C ATOM 1052 CG1 VAL A 73 5.061 -12.331 2.315 1.00 3.41 C ATOM 1053 CG2 VAL A 73 7.223 -11.572 1.303 1.00 43.12 C ATOM 0 H VAL A 73 5.346 -11.573 -0.410 1.00 22.22 H new ATOM 0 HA VAL A 73 4.226 -9.881 1.581 1.00 33.41 H new ATOM 0 HB VAL A 73 6.199 -10.638 2.921 1.00 5.51 H new ATOM 0 HG11 VAL A 73 5.618 -13.028 2.941 1.00 3.41 H new ATOM 0 HG12 VAL A 73 4.171 -11.996 2.848 1.00 3.41 H new ATOM 0 HG13 VAL A 73 4.765 -12.829 1.392 1.00 3.41 H new ATOM 0 HG21 VAL A 73 7.750 -12.280 1.942 1.00 43.12 H new ATOM 0 HG22 VAL A 73 6.985 -12.048 0.352 1.00 43.12 H new ATOM 0 HG23 VAL A 73 7.856 -10.703 1.125 1.00 43.12 H new ATOM 1063 N VAL A 74 6.973 -8.903 0.037 1.00 41.24 N ATOM 1064 CA VAL A 74 7.841 -7.757 -0.208 1.00 63.45 C ATOM 1065 C VAL A 74 7.066 -6.604 -0.834 1.00 54.32 C ATOM 1066 O VAL A 74 7.325 -5.437 -0.541 1.00 14.00 O ATOM 1067 CB VAL A 74 9.017 -8.131 -1.131 1.00 32.31 C ATOM 1068 CG1 VAL A 74 8.513 -8.480 -2.523 1.00 41.33 C ATOM 1069 CG2 VAL A 74 10.029 -6.997 -1.189 1.00 61.44 C ATOM 0 H VAL A 74 7.174 -9.716 -0.544 1.00 41.24 H new ATOM 0 HA VAL A 74 8.233 -7.444 0.760 1.00 63.45 H new ATOM 0 HB VAL A 74 9.514 -9.010 -0.721 1.00 32.31 H new ATOM 0 HG11 VAL A 74 9.357 -8.741 -3.161 1.00 41.33 H new ATOM 0 HG12 VAL A 74 7.829 -9.327 -2.461 1.00 41.33 H new ATOM 0 HG13 VAL A 74 7.990 -7.622 -2.946 1.00 41.33 H new ATOM 0 HG21 VAL A 74 10.853 -7.278 -1.845 1.00 61.44 H new ATOM 0 HG22 VAL A 74 9.547 -6.099 -1.575 1.00 61.44 H new ATOM 0 HG23 VAL A 74 10.413 -6.801 -0.188 1.00 61.44 H new ATOM 1079 N ALA A 75 6.112 -6.938 -1.698 1.00 24.34 N ATOM 1080 CA ALA A 75 5.297 -5.930 -2.363 1.00 75.43 C ATOM 1081 C ALA A 75 4.574 -5.051 -1.348 1.00 74.44 C ATOM 1082 O ALA A 75 4.524 -3.830 -1.495 1.00 4.04 O ATOM 1083 CB ALA A 75 4.295 -6.594 -3.297 1.00 65.32 C ATOM 0 H ALA A 75 5.885 -7.899 -1.953 1.00 24.34 H new ATOM 0 HA ALA A 75 5.959 -5.293 -2.950 1.00 75.43 H new ATOM 0 HB1 ALA A 75 3.693 -5.829 -3.787 1.00 65.32 H new ATOM 0 HB2 ALA A 75 4.829 -7.174 -4.050 1.00 65.32 H new ATOM 0 HB3 ALA A 75 3.645 -7.255 -2.723 1.00 65.32 H new ATOM 1089 N ARG A 76 4.013 -5.680 -0.320 1.00 64.44 N ATOM 1090 CA ARG A 76 3.291 -4.955 0.718 1.00 43.02 C ATOM 1091 C ARG A 76 4.260 -4.320 1.712 1.00 71.45 C ATOM 1092 O ARG A 76 3.944 -3.313 2.345 1.00 3.40 O ATOM 1093 CB ARG A 76 2.332 -5.893 1.452 1.00 22.43 C ATOM 1094 CG ARG A 76 0.973 -6.020 0.784 1.00 31.11 C ATOM 1095 CD ARG A 76 1.103 -6.466 -0.664 1.00 23.22 C ATOM 1096 NE ARG A 76 -0.197 -6.586 -1.319 1.00 25.23 N ATOM 1097 CZ ARG A 76 -1.044 -7.584 -1.093 1.00 1.11 C ATOM 1098 NH1 ARG A 76 -0.730 -8.543 -0.233 1.00 11.23 N ATOM 1099 NH2 ARG A 76 -2.208 -7.623 -1.728 1.00 34.52 N ATOM 0 H ARG A 76 4.045 -6.690 -0.184 1.00 64.44 H new ATOM 0 HA ARG A 76 2.717 -4.162 0.240 1.00 43.02 H new ATOM 0 HB2 ARG A 76 2.787 -6.881 1.522 1.00 22.43 H new ATOM 0 HB3 ARG A 76 2.194 -5.533 2.471 1.00 22.43 H new ATOM 0 HG2 ARG A 76 0.362 -6.737 1.333 1.00 31.11 H new ATOM 0 HG3 ARG A 76 0.455 -5.062 0.826 1.00 31.11 H new ATOM 0 HD2 ARG A 76 1.719 -5.751 -1.209 1.00 23.22 H new ATOM 0 HD3 ARG A 76 1.618 -7.426 -0.703 1.00 23.22 H new ATOM 0 HE ARG A 76 -0.469 -5.864 -1.986 1.00 25.23 H new ATOM 0 HH11 ARG A 76 0.164 -8.516 0.257 1.00 11.23 H new ATOM 0 HH12 ARG A 76 -1.383 -9.308 -0.062 1.00 11.23 H new ATOM 0 HH21 ARG A 76 -2.453 -6.887 -2.390 1.00 34.52 H new ATOM 0 HH22 ARG A 76 -2.858 -8.389 -1.554 1.00 34.52 H new ATOM 1113 N HIS A 77 5.440 -4.918 1.843 1.00 2.43 N ATOM 1114 CA HIS A 77 6.455 -4.411 2.760 1.00 2.21 C ATOM 1115 C HIS A 77 7.162 -3.195 2.169 1.00 1.44 C ATOM 1116 O HIS A 77 7.681 -2.350 2.900 1.00 51.15 O ATOM 1117 CB HIS A 77 7.476 -5.504 3.079 1.00 51.41 C ATOM 1118 CG HIS A 77 8.611 -5.032 3.934 1.00 44.40 C ATOM 1119 ND1 HIS A 77 8.444 -4.174 5.001 1.00 43.35 N ATOM 1120 CD2 HIS A 77 9.936 -5.304 3.876 1.00 30.01 C ATOM 1121 CE1 HIS A 77 9.617 -3.937 5.561 1.00 62.44 C ATOM 1122 NE2 HIS A 77 10.539 -4.612 4.897 1.00 0.14 N ATOM 0 H HIS A 77 5.717 -5.753 1.327 1.00 2.43 H new ATOM 0 HA HIS A 77 5.958 -4.108 3.682 1.00 2.21 H new ATOM 0 HB2 HIS A 77 6.970 -6.327 3.584 1.00 51.41 H new ATOM 0 HB3 HIS A 77 7.875 -5.900 2.145 1.00 51.41 H new ATOM 0 HD2 HIS A 77 10.427 -5.946 3.160 1.00 30.01 H new ATOM 0 HE1 HIS A 77 9.792 -3.300 6.416 1.00 62.44 H new ATOM 0 HE2 HIS A 77 11.537 -4.618 5.109 1.00 0.14 H new ATOM 1130 N VAL A 78 7.179 -3.112 0.843 1.00 64.42 N ATOM 1131 CA VAL A 78 7.822 -2.000 0.154 1.00 3.30 C ATOM 1132 C VAL A 78 7.377 -0.663 0.735 1.00 12.52 C ATOM 1133 O VAL A 78 6.293 -0.169 0.423 1.00 42.41 O ATOM 1134 CB VAL A 78 7.513 -2.020 -1.355 1.00 4.22 C ATOM 1135 CG1 VAL A 78 7.895 -0.694 -1.996 1.00 31.12 C ATOM 1136 CG2 VAL A 78 8.235 -3.176 -2.031 1.00 4.43 C ATOM 0 H VAL A 78 6.754 -3.802 0.224 1.00 64.42 H new ATOM 0 HA VAL A 78 8.896 -2.117 0.299 1.00 3.30 H new ATOM 0 HB VAL A 78 6.441 -2.164 -1.487 1.00 4.22 H new ATOM 0 HG11 VAL A 78 7.670 -0.727 -3.062 1.00 31.12 H new ATOM 0 HG12 VAL A 78 7.328 0.112 -1.530 1.00 31.12 H new ATOM 0 HG13 VAL A 78 8.961 -0.516 -1.856 1.00 31.12 H new ATOM 0 HG21 VAL A 78 8.005 -3.175 -3.097 1.00 4.43 H new ATOM 0 HG22 VAL A 78 9.310 -3.065 -1.891 1.00 4.43 H new ATOM 0 HG23 VAL A 78 7.907 -4.117 -1.590 1.00 4.43 H new ATOM 1146 N ARG A 79 8.220 -0.081 1.582 1.00 62.12 N ATOM 1147 CA ARG A 79 7.913 1.199 2.208 1.00 42.33 C ATOM 1148 C ARG A 79 9.191 1.919 2.629 1.00 21.45 C ATOM 1149 O ARG A 79 10.245 1.309 2.811 1.00 61.41 O ATOM 1150 CB ARG A 79 7.007 0.993 3.423 1.00 73.05 C ATOM 1151 CG ARG A 79 5.580 1.470 3.206 1.00 51.12 C ATOM 1152 CD ARG A 79 5.106 2.349 4.352 1.00 3.55 C ATOM 1153 NE ARG A 79 4.082 3.299 3.927 1.00 51.43 N ATOM 1154 CZ ARG A 79 3.577 4.239 4.718 1.00 12.11 C ATOM 1155 NH1 ARG A 79 4.000 4.354 5.969 1.00 15.44 N ATOM 1156 NH2 ARG A 79 2.647 5.067 4.258 1.00 61.52 N ATOM 0 H ARG A 79 9.121 -0.476 1.850 1.00 62.12 H new ATOM 0 HA ARG A 79 7.393 1.817 1.476 1.00 42.33 H new ATOM 0 HB2 ARG A 79 6.992 -0.066 3.679 1.00 73.05 H new ATOM 0 HB3 ARG A 79 7.432 1.521 4.276 1.00 73.05 H new ATOM 0 HG2 ARG A 79 5.519 2.026 2.270 1.00 51.12 H new ATOM 0 HG3 ARG A 79 4.918 0.609 3.109 1.00 51.12 H new ATOM 0 HD2 ARG A 79 4.709 1.721 5.150 1.00 3.55 H new ATOM 0 HD3 ARG A 79 5.955 2.893 4.767 1.00 3.55 H new ATOM 0 HE ARG A 79 3.735 3.237 2.970 1.00 51.43 H new ATOM 0 HH11 ARG A 79 4.715 3.720 6.326 1.00 15.44 H new ATOM 0 HH12 ARG A 79 3.611 5.077 6.575 1.00 15.44 H new ATOM 0 HH21 ARG A 79 2.319 4.982 3.296 1.00 61.52 H new ATOM 0 HH22 ARG A 79 2.260 5.788 4.867 1.00 61.52 H new ATOM 1170 N PRO A 80 9.098 3.247 2.789 1.00 14.11 N ATOM 1171 CA PRO A 80 10.236 4.078 3.191 1.00 2.21 C ATOM 1172 C PRO A 80 10.649 3.835 4.639 1.00 70.23 C ATOM 1173 O PRO A 80 9.905 4.149 5.568 1.00 74.44 O ATOM 1174 CB PRO A 80 9.712 5.506 3.017 1.00 21.13 C ATOM 1175 CG PRO A 80 8.234 5.386 3.155 1.00 54.01 C ATOM 1176 CD PRO A 80 7.873 4.040 2.590 1.00 51.02 C ATOM 0 HA PRO A 80 11.127 3.861 2.601 1.00 2.21 H new ATOM 0 HB2 PRO A 80 10.127 6.175 3.771 1.00 21.13 H new ATOM 0 HB3 PRO A 80 9.987 5.913 2.044 1.00 21.13 H new ATOM 0 HG2 PRO A 80 7.932 5.465 4.199 1.00 54.01 H new ATOM 0 HG3 PRO A 80 7.726 6.185 2.615 1.00 54.01 H new ATOM 0 HD2 PRO A 80 7.021 3.601 3.110 1.00 51.02 H new ATOM 0 HD3 PRO A 80 7.604 4.106 1.536 1.00 51.02 H new ATOM 1184 N SER A 81 11.840 3.274 4.823 1.00 11.24 N ATOM 1185 CA SER A 81 12.350 2.986 6.159 1.00 62.23 C ATOM 1186 C SER A 81 11.423 2.027 6.899 1.00 62.50 C ATOM 1187 O SER A 81 11.177 2.183 8.095 1.00 61.44 O ATOM 1188 CB SER A 81 12.507 4.281 6.958 1.00 20.54 C ATOM 1189 OG SER A 81 13.361 5.193 6.290 1.00 61.40 O ATOM 0 H SER A 81 12.469 3.010 4.065 1.00 11.24 H new ATOM 0 HA SER A 81 13.326 2.512 6.054 1.00 62.23 H new ATOM 0 HB2 SER A 81 11.529 4.739 7.110 1.00 20.54 H new ATOM 0 HB3 SER A 81 12.911 4.056 7.945 1.00 20.54 H new ATOM 0 HG SER A 81 13.443 6.013 6.821 1.00 61.40 H new ATOM 1195 N ALA A 82 10.912 1.034 6.179 1.00 71.44 N ATOM 1196 CA ALA A 82 10.014 0.047 6.766 1.00 12.31 C ATOM 1197 C ALA A 82 10.791 -1.140 7.324 1.00 4.32 C ATOM 1198 O ALA A 82 11.530 -1.806 6.599 1.00 22.14 O ATOM 1199 CB ALA A 82 8.998 -0.422 5.735 1.00 63.21 C ATOM 0 H ALA A 82 11.105 0.892 5.188 1.00 71.44 H new ATOM 0 HA ALA A 82 9.484 0.521 7.592 1.00 12.31 H new ATOM 0 HB1 ALA A 82 8.334 -1.159 6.187 1.00 63.21 H new ATOM 0 HB2 ALA A 82 8.412 0.429 5.388 1.00 63.21 H new ATOM 0 HB3 ALA A 82 9.519 -0.873 4.890 1.00 63.21 H new ATOM 1205 N SER A 83 10.621 -1.398 8.617 1.00 73.12 N ATOM 1206 CA SER A 83 11.310 -2.503 9.273 1.00 5.42 C ATOM 1207 C SER A 83 10.317 -3.560 9.745 1.00 50.01 C ATOM 1208 O SER A 83 9.283 -3.238 10.331 1.00 71.02 O ATOM 1209 CB SER A 83 12.127 -1.988 10.460 1.00 22.22 C ATOM 1210 OG SER A 83 12.578 -0.664 10.234 1.00 54.12 O ATOM 0 H SER A 83 10.012 -0.857 9.231 1.00 73.12 H new ATOM 0 HA SER A 83 11.983 -2.961 8.548 1.00 5.42 H new ATOM 0 HB2 SER A 83 11.519 -2.019 11.364 1.00 22.22 H new ATOM 0 HB3 SER A 83 12.982 -2.643 10.628 1.00 22.22 H new ATOM 0 HG SER A 83 13.096 -0.358 11.008 1.00 54.12 H new ATOM 1216 N ILE A 84 10.639 -4.823 9.485 1.00 53.31 N ATOM 1217 CA ILE A 84 9.776 -5.928 9.883 1.00 11.23 C ATOM 1218 C ILE A 84 10.591 -7.182 10.180 1.00 31.11 C ATOM 1219 O ILE A 84 11.680 -7.386 9.644 1.00 4.22 O ATOM 1220 CB ILE A 84 8.736 -6.251 8.794 1.00 12.23 C ATOM 1221 CG1 ILE A 84 9.435 -6.622 7.485 1.00 53.33 C ATOM 1222 CG2 ILE A 84 7.802 -5.068 8.586 1.00 1.22 C ATOM 1223 CD1 ILE A 84 9.512 -8.113 7.242 1.00 14.21 C ATOM 0 H ILE A 84 11.491 -5.106 9.001 1.00 53.31 H new ATOM 0 HA ILE A 84 9.256 -5.612 10.788 1.00 11.23 H new ATOM 0 HB ILE A 84 8.142 -7.104 9.121 1.00 12.23 H new ATOM 0 HG12 ILE A 84 8.906 -6.154 6.655 1.00 53.33 H new ATOM 0 HG13 ILE A 84 10.444 -6.211 7.492 1.00 53.33 H new ATOM 0 HG21 ILE A 84 7.073 -5.312 7.813 1.00 1.22 H new ATOM 0 HG22 ILE A 84 7.283 -4.846 9.518 1.00 1.22 H new ATOM 0 HG23 ILE A 84 8.381 -4.197 8.277 1.00 1.22 H new ATOM 0 HD11 ILE A 84 10.020 -8.302 6.296 1.00 14.21 H new ATOM 0 HD12 ILE A 84 10.067 -8.586 8.053 1.00 14.21 H new ATOM 0 HD13 ILE A 84 8.505 -8.528 7.202 1.00 14.21 H new ATOM 1235 N PRO A 85 10.051 -8.045 11.054 1.00 63.35 N ATOM 1236 CA PRO A 85 10.710 -9.296 11.440 1.00 64.42 C ATOM 1237 C PRO A 85 10.738 -10.312 10.303 1.00 71.21 C ATOM 1238 O PRO A 85 9.771 -10.446 9.553 1.00 50.33 O ATOM 1239 CB PRO A 85 9.847 -9.810 12.595 1.00 4.11 C ATOM 1240 CG PRO A 85 8.505 -9.208 12.361 1.00 33.53 C ATOM 1241 CD PRO A 85 8.756 -7.867 11.731 1.00 40.32 C ATOM 0 HA PRO A 85 11.755 -9.140 11.707 1.00 64.42 H new ATOM 0 HB2 PRO A 85 9.797 -10.899 12.598 1.00 4.11 H new ATOM 0 HB3 PRO A 85 10.254 -9.507 13.559 1.00 4.11 H new ATOM 0 HG2 PRO A 85 7.903 -9.839 11.708 1.00 33.53 H new ATOM 0 HG3 PRO A 85 7.956 -9.103 13.297 1.00 33.53 H new ATOM 0 HD2 PRO A 85 7.968 -7.600 11.027 1.00 40.32 H new ATOM 0 HD3 PRO A 85 8.799 -7.074 12.478 1.00 40.32 H new ATOM 1249 N VAL A 86 11.852 -11.027 10.181 1.00 32.31 N ATOM 1250 CA VAL A 86 12.004 -12.033 9.136 1.00 4.33 C ATOM 1251 C VAL A 86 12.749 -13.257 9.656 1.00 31.25 C ATOM 1252 O VAL A 86 13.776 -13.136 10.324 1.00 10.52 O ATOM 1253 CB VAL A 86 12.758 -11.466 7.918 1.00 30.52 C ATOM 1254 CG1 VAL A 86 12.740 -12.462 6.769 1.00 73.35 C ATOM 1255 CG2 VAL A 86 12.157 -10.136 7.492 1.00 55.15 C ATOM 0 H VAL A 86 12.662 -10.928 10.793 1.00 32.31 H new ATOM 0 HA VAL A 86 11.000 -12.326 8.829 1.00 4.33 H new ATOM 0 HB VAL A 86 13.796 -11.294 8.202 1.00 30.52 H new ATOM 0 HG11 VAL A 86 13.277 -12.045 5.917 1.00 73.35 H new ATOM 0 HG12 VAL A 86 13.221 -13.388 7.083 1.00 73.35 H new ATOM 0 HG13 VAL A 86 11.709 -12.668 6.482 1.00 73.35 H new ATOM 0 HG21 VAL A 86 12.702 -9.750 6.630 1.00 55.15 H new ATOM 0 HG22 VAL A 86 11.110 -10.279 7.225 1.00 55.15 H new ATOM 0 HG23 VAL A 86 12.228 -9.425 8.315 1.00 55.15 H new ATOM 1265 N VAL A 87 12.224 -14.438 9.346 1.00 62.44 N ATOM 1266 CA VAL A 87 12.840 -15.687 9.780 1.00 12.41 C ATOM 1267 C VAL A 87 13.685 -16.299 8.669 1.00 51.44 C ATOM 1268 O VAL A 87 13.197 -16.538 7.564 1.00 65.52 O ATOM 1269 CB VAL A 87 11.779 -16.710 10.226 1.00 32.21 C ATOM 1270 CG1 VAL A 87 10.767 -16.949 9.115 1.00 24.55 C ATOM 1271 CG2 VAL A 87 12.440 -18.014 10.646 1.00 63.00 C ATOM 0 H VAL A 87 11.373 -14.556 8.796 1.00 62.44 H new ATOM 0 HA VAL A 87 13.481 -15.446 10.628 1.00 12.41 H new ATOM 0 HB VAL A 87 11.248 -16.305 11.087 1.00 32.21 H new ATOM 0 HG11 VAL A 87 10.025 -17.675 9.448 1.00 24.55 H new ATOM 0 HG12 VAL A 87 10.271 -16.011 8.867 1.00 24.55 H new ATOM 0 HG13 VAL A 87 11.279 -17.333 8.233 1.00 24.55 H new ATOM 0 HG21 VAL A 87 11.675 -18.725 10.958 1.00 63.00 H new ATOM 0 HG22 VAL A 87 12.998 -18.426 9.805 1.00 63.00 H new ATOM 0 HG23 VAL A 87 13.121 -17.826 11.476 1.00 63.00 H new ATOM 1281 N PHE A 88 14.955 -16.550 8.969 1.00 51.24 N ATOM 1282 CA PHE A 88 15.869 -17.134 7.994 1.00 4.05 C ATOM 1283 C PHE A 88 16.368 -18.497 8.466 1.00 74.14 C ATOM 1284 O PHE A 88 16.472 -18.751 9.665 1.00 24.05 O ATOM 1285 CB PHE A 88 17.057 -16.200 7.754 1.00 51.41 C ATOM 1286 CG PHE A 88 16.717 -15.002 6.913 1.00 31.31 C ATOM 1287 CD1 PHE A 88 16.874 -15.039 5.537 1.00 54.41 C ATOM 1288 CD2 PHE A 88 16.241 -13.840 7.499 1.00 22.41 C ATOM 1289 CE1 PHE A 88 16.561 -13.939 4.760 1.00 3.22 C ATOM 1290 CE2 PHE A 88 15.927 -12.738 6.728 1.00 51.45 C ATOM 1291 CZ PHE A 88 16.088 -12.786 5.357 1.00 63.44 C ATOM 0 H PHE A 88 15.375 -16.358 9.879 1.00 51.24 H new ATOM 0 HA PHE A 88 15.326 -17.268 7.059 1.00 4.05 H new ATOM 0 HB2 PHE A 88 17.443 -15.861 8.716 1.00 51.41 H new ATOM 0 HB3 PHE A 88 17.857 -16.760 7.269 1.00 51.41 H new ATOM 0 HD1 PHE A 88 17.245 -15.937 5.066 1.00 54.41 H new ATOM 0 HD2 PHE A 88 16.114 -13.796 8.571 1.00 22.41 H new ATOM 0 HE1 PHE A 88 16.686 -13.981 3.688 1.00 3.22 H new ATOM 0 HE2 PHE A 88 15.556 -11.839 7.197 1.00 51.45 H new ATOM 0 HZ PHE A 88 15.845 -11.924 4.753 1.00 63.44 H new ATOM 1301 N SER A 89 16.673 -19.371 7.512 1.00 51.14 N ATOM 1302 CA SER A 89 17.156 -20.710 7.828 1.00 71.03 C ATOM 1303 C SER A 89 18.421 -21.032 7.038 1.00 3.52 C ATOM 1304 O SER A 89 18.595 -20.572 5.910 1.00 44.24 O ATOM 1305 CB SER A 89 16.075 -21.750 7.526 1.00 52.43 C ATOM 1306 OG SER A 89 15.381 -22.121 8.704 1.00 22.13 O ATOM 0 H SER A 89 16.594 -19.176 6.514 1.00 51.14 H new ATOM 0 HA SER A 89 17.394 -20.741 8.891 1.00 71.03 H new ATOM 0 HB2 SER A 89 15.372 -21.347 6.797 1.00 52.43 H new ATOM 0 HB3 SER A 89 16.530 -22.632 7.075 1.00 52.43 H new ATOM 0 HG SER A 89 16.023 -22.268 9.429 1.00 22.13 H new ATOM 1312 N ARG A 90 19.302 -21.824 7.641 1.00 74.23 N ATOM 1313 CA ARG A 90 20.552 -22.207 6.996 1.00 52.13 C ATOM 1314 C ARG A 90 20.854 -23.684 7.230 1.00 62.14 C ATOM 1315 O ARG A 90 21.375 -24.063 8.279 1.00 41.12 O ATOM 1316 CB ARG A 90 21.705 -21.350 7.521 1.00 12.14 C ATOM 1317 CG ARG A 90 21.781 -19.973 6.881 1.00 25.44 C ATOM 1318 CD ARG A 90 23.008 -19.208 7.352 1.00 1.33 C ATOM 1319 NE ARG A 90 22.658 -17.909 7.921 1.00 34.01 N ATOM 1320 CZ ARG A 90 23.543 -17.082 8.466 1.00 61.20 C ATOM 1321 NH1 ARG A 90 24.825 -17.417 8.515 1.00 20.21 N ATOM 1322 NH2 ARG A 90 23.147 -15.917 8.963 1.00 71.33 N ATOM 0 H ARG A 90 19.173 -22.213 8.575 1.00 74.23 H new ATOM 0 HA ARG A 90 20.444 -22.041 5.924 1.00 52.13 H new ATOM 0 HB2 ARG A 90 21.599 -21.235 8.600 1.00 12.14 H new ATOM 0 HB3 ARG A 90 22.645 -21.874 7.347 1.00 12.14 H new ATOM 0 HG2 ARG A 90 21.809 -20.076 5.796 1.00 25.44 H new ATOM 0 HG3 ARG A 90 20.882 -19.407 7.125 1.00 25.44 H new ATOM 0 HD2 ARG A 90 23.540 -19.799 8.098 1.00 1.33 H new ATOM 0 HD3 ARG A 90 23.690 -19.065 6.514 1.00 1.33 H new ATOM 0 HE ARG A 90 21.680 -17.621 7.899 1.00 34.01 H new ATOM 0 HH11 ARG A 90 25.133 -18.311 8.134 1.00 20.21 H new ATOM 0 HH12 ARG A 90 25.503 -16.780 8.934 1.00 20.21 H new ATOM 0 HH21 ARG A 90 22.162 -15.656 8.927 1.00 71.33 H new ATOM 0 HH22 ARG A 90 23.828 -15.283 9.381 1.00 71.33 H new ATOM 1336 N ASP A 91 20.524 -24.513 6.246 1.00 75.23 N ATOM 1337 CA ASP A 91 20.760 -25.949 6.344 1.00 40.14 C ATOM 1338 C ASP A 91 19.989 -26.548 7.516 1.00 43.20 C ATOM 1339 O ASP A 91 20.426 -27.523 8.125 1.00 34.52 O ATOM 1340 CB ASP A 91 22.255 -26.231 6.502 1.00 32.51 C ATOM 1341 CG ASP A 91 23.114 -25.267 5.708 1.00 73.21 C ATOM 1342 OD1 ASP A 91 23.748 -24.388 6.328 1.00 11.11 O ATOM 1343 OD2 ASP A 91 23.152 -25.392 4.466 1.00 24.32 O ATOM 0 H ASP A 91 20.092 -24.215 5.371 1.00 75.23 H new ATOM 0 HA ASP A 91 20.405 -26.415 5.425 1.00 40.14 H new ATOM 0 HB2 ASP A 91 22.524 -26.168 7.556 1.00 32.51 H new ATOM 0 HB3 ASP A 91 22.465 -27.251 6.179 1.00 32.51 H new ATOM 1348 N GLY A 92 18.840 -25.955 7.827 1.00 24.22 N ATOM 1349 CA GLY A 92 18.028 -26.443 8.926 1.00 0.04 C ATOM 1350 C GLY A 92 18.195 -25.613 10.184 1.00 61.03 C ATOM 1351 O GLY A 92 17.435 -25.762 11.140 1.00 13.04 O ATOM 0 H GLY A 92 18.458 -25.146 7.338 1.00 24.22 H new ATOM 0 HA2 GLY A 92 16.979 -26.439 8.628 1.00 0.04 H new ATOM 0 HA3 GLY A 92 18.295 -27.478 9.139 1.00 0.04 H new ATOM 1355 N VAL A 93 19.195 -24.737 10.184 1.00 15.40 N ATOM 1356 CA VAL A 93 19.460 -23.880 11.334 1.00 52.04 C ATOM 1357 C VAL A 93 18.325 -22.886 11.552 1.00 74.00 C ATOM 1358 O VAL A 93 17.723 -22.395 10.597 1.00 52.20 O ATOM 1359 CB VAL A 93 20.780 -23.105 11.164 1.00 61.24 C ATOM 1360 CG1 VAL A 93 20.965 -22.109 12.298 1.00 21.44 C ATOM 1361 CG2 VAL A 93 21.956 -24.067 11.090 1.00 22.34 C ATOM 0 H VAL A 93 19.835 -24.602 9.401 1.00 15.40 H new ATOM 0 HA VAL A 93 19.540 -24.533 12.203 1.00 52.04 H new ATOM 0 HB VAL A 93 20.736 -22.548 10.228 1.00 61.24 H new ATOM 0 HG11 VAL A 93 21.903 -21.571 12.160 1.00 21.44 H new ATOM 0 HG12 VAL A 93 20.137 -21.400 12.298 1.00 21.44 H new ATOM 0 HG13 VAL A 93 20.988 -22.641 13.249 1.00 21.44 H new ATOM 0 HG21 VAL A 93 22.881 -23.503 10.970 1.00 22.34 H new ATOM 0 HG22 VAL A 93 22.005 -24.653 12.008 1.00 22.34 H new ATOM 0 HG23 VAL A 93 21.826 -24.736 10.239 1.00 22.34 H new ATOM 1371 N VAL A 94 18.037 -22.593 12.816 1.00 33.12 N ATOM 1372 CA VAL A 94 16.974 -21.656 13.161 1.00 3.00 C ATOM 1373 C VAL A 94 17.546 -20.363 13.731 1.00 11.30 C ATOM 1374 O VAL A 94 18.124 -20.354 14.818 1.00 53.45 O ATOM 1375 CB VAL A 94 15.997 -22.267 14.183 1.00 40.31 C ATOM 1376 CG1 VAL A 94 14.880 -21.286 14.506 1.00 5.34 C ATOM 1377 CG2 VAL A 94 15.431 -23.578 13.660 1.00 72.20 C ATOM 0 H VAL A 94 18.525 -22.991 13.618 1.00 33.12 H new ATOM 0 HA VAL A 94 16.434 -21.436 12.240 1.00 3.00 H new ATOM 0 HB VAL A 94 16.543 -22.475 15.103 1.00 40.31 H new ATOM 0 HG11 VAL A 94 14.199 -21.735 15.230 1.00 5.34 H new ATOM 0 HG12 VAL A 94 15.306 -20.375 14.925 1.00 5.34 H new ATOM 0 HG13 VAL A 94 14.333 -21.045 13.595 1.00 5.34 H new ATOM 0 HG21 VAL A 94 14.743 -23.996 14.395 1.00 72.20 H new ATOM 0 HG22 VAL A 94 14.899 -23.398 12.726 1.00 72.20 H new ATOM 0 HG23 VAL A 94 16.245 -24.281 13.484 1.00 72.20 H new ATOM 1387 N MET A 95 17.380 -19.272 12.990 1.00 1.13 N ATOM 1388 CA MET A 95 17.878 -17.972 13.423 1.00 4.52 C ATOM 1389 C MET A 95 16.888 -16.866 13.073 1.00 12.41 C ATOM 1390 O MET A 95 16.054 -17.026 12.182 1.00 50.31 O ATOM 1391 CB MET A 95 19.235 -17.681 12.778 1.00 54.52 C ATOM 1392 CG MET A 95 20.035 -16.610 13.502 1.00 22.41 C ATOM 1393 SD MET A 95 20.577 -17.137 15.139 1.00 20.12 S ATOM 1394 CE MET A 95 21.964 -16.036 15.407 1.00 22.12 C ATOM 0 H MET A 95 16.905 -19.263 12.088 1.00 1.13 H new ATOM 0 HA MET A 95 17.997 -17.999 14.506 1.00 4.52 H new ATOM 0 HB2 MET A 95 19.819 -18.601 12.748 1.00 54.52 H new ATOM 0 HB3 MET A 95 19.078 -17.370 11.745 1.00 54.52 H new ATOM 0 HG2 MET A 95 20.906 -16.345 12.903 1.00 22.41 H new ATOM 0 HG3 MET A 95 19.428 -15.710 13.597 1.00 22.41 H new ATOM 0 HE1 MET A 95 22.407 -16.240 16.382 1.00 22.12 H new ATOM 0 HE2 MET A 95 22.710 -16.195 14.629 1.00 22.12 H new ATOM 0 HE3 MET A 95 21.620 -15.002 15.374 1.00 22.12 H new ATOM 1404 N SER A 96 16.985 -15.744 13.780 1.00 30.54 N ATOM 1405 CA SER A 96 16.094 -14.614 13.547 1.00 44.42 C ATOM 1406 C SER A 96 16.890 -13.325 13.364 1.00 13.53 C ATOM 1407 O SER A 96 17.765 -13.003 14.167 1.00 21.45 O ATOM 1408 CB SER A 96 15.114 -14.461 14.711 1.00 54.31 C ATOM 1409 OG SER A 96 15.625 -15.058 15.890 1.00 15.31 O ATOM 0 H SER A 96 17.672 -15.594 14.519 1.00 30.54 H new ATOM 0 HA SER A 96 15.533 -14.808 12.633 1.00 44.42 H new ATOM 0 HB2 SER A 96 14.920 -13.404 14.890 1.00 54.31 H new ATOM 0 HB3 SER A 96 14.161 -14.921 14.451 1.00 54.31 H new ATOM 0 HG SER A 96 14.981 -14.945 16.620 1.00 15.31 H new ATOM 1415 N ALA A 97 16.578 -12.590 12.302 1.00 40.23 N ATOM 1416 CA ALA A 97 17.261 -11.335 12.014 1.00 41.24 C ATOM 1417 C ALA A 97 16.289 -10.293 11.471 1.00 1.41 C ATOM 1418 O ALA A 97 15.410 -10.606 10.668 1.00 72.41 O ATOM 1419 CB ALA A 97 18.395 -11.566 11.026 1.00 4.12 C ATOM 0 H ALA A 97 15.856 -12.842 11.627 1.00 40.23 H new ATOM 0 HA ALA A 97 17.678 -10.955 12.947 1.00 41.24 H new ATOM 0 HB1 ALA A 97 18.896 -10.620 10.820 1.00 4.12 H new ATOM 0 HB2 ALA A 97 19.110 -12.271 11.451 1.00 4.12 H new ATOM 0 HB3 ALA A 97 17.992 -11.973 10.098 1.00 4.12 H new ATOM 1425 N THR A 98 16.452 -9.050 11.915 1.00 31.13 N ATOM 1426 CA THR A 98 15.588 -7.962 11.476 1.00 52.10 C ATOM 1427 C THR A 98 16.068 -7.379 10.152 1.00 40.21 C ATOM 1428 O THR A 98 17.256 -7.104 9.979 1.00 53.43 O ATOM 1429 CB THR A 98 15.523 -6.837 12.526 1.00 3.20 C ATOM 1430 OG1 THR A 98 15.246 -7.388 13.818 1.00 24.13 O ATOM 1431 CG2 THR A 98 14.453 -5.819 12.163 1.00 15.14 C ATOM 0 H THR A 98 17.175 -8.772 12.579 1.00 31.13 H new ATOM 0 HA THR A 98 14.591 -8.384 11.344 1.00 52.10 H new ATOM 0 HB THR A 98 16.489 -6.333 12.546 1.00 3.20 H new ATOM 0 HG1 THR A 98 15.208 -6.666 14.480 1.00 24.13 H new ATOM 0 HG21 THR A 98 14.426 -5.034 12.919 1.00 15.14 H new ATOM 0 HG22 THR A 98 14.683 -5.380 11.192 1.00 15.14 H new ATOM 0 HG23 THR A 98 13.482 -6.312 12.117 1.00 15.14 H new ATOM 1439 N ILE A 99 15.138 -7.192 9.221 1.00 24.41 N ATOM 1440 CA ILE A 99 15.468 -6.640 7.913 1.00 12.11 C ATOM 1441 C ILE A 99 14.873 -5.247 7.739 1.00 12.31 C ATOM 1442 O ILE A 99 13.667 -5.052 7.891 1.00 53.52 O ATOM 1443 CB ILE A 99 14.963 -7.547 6.775 1.00 22.14 C ATOM 1444 CG1 ILE A 99 15.345 -9.004 7.048 1.00 55.40 C ATOM 1445 CG2 ILE A 99 15.529 -7.087 5.440 1.00 0.33 C ATOM 1446 CD1 ILE A 99 16.838 -9.233 7.125 1.00 33.04 C ATOM 0 H ILE A 99 14.151 -7.415 9.348 1.00 24.41 H new ATOM 0 HA ILE A 99 16.555 -6.578 7.862 1.00 12.11 H new ATOM 0 HB ILE A 99 13.876 -7.478 6.730 1.00 22.14 H new ATOM 0 HG12 ILE A 99 14.888 -9.321 7.985 1.00 55.40 H new ATOM 0 HG13 ILE A 99 14.929 -9.634 6.261 1.00 55.40 H new ATOM 0 HG21 ILE A 99 15.163 -7.738 4.646 1.00 0.33 H new ATOM 0 HG22 ILE A 99 15.213 -6.062 5.244 1.00 0.33 H new ATOM 0 HG23 ILE A 99 16.618 -7.131 5.472 1.00 0.33 H new ATOM 0 HD11 ILE A 99 17.035 -10.287 7.321 1.00 33.04 H new ATOM 0 HD12 ILE A 99 17.299 -8.947 6.180 1.00 33.04 H new ATOM 0 HD13 ILE A 99 17.258 -8.630 7.930 1.00 33.04 H new ATOM 1458 N VAL A 100 15.727 -4.280 7.418 1.00 71.21 N ATOM 1459 CA VAL A 100 15.286 -2.905 7.220 1.00 52.32 C ATOM 1460 C VAL A 100 15.601 -2.425 5.807 1.00 14.45 C ATOM 1461 O VAL A 100 16.764 -2.242 5.447 1.00 75.52 O ATOM 1462 CB VAL A 100 15.947 -1.952 8.233 1.00 13.24 C ATOM 1463 CG1 VAL A 100 15.334 -2.132 9.614 1.00 51.11 C ATOM 1464 CG2 VAL A 100 17.450 -2.178 8.275 1.00 64.41 C ATOM 0 H VAL A 100 16.729 -4.424 7.290 1.00 71.21 H new ATOM 0 HA VAL A 100 14.207 -2.894 7.373 1.00 52.32 H new ATOM 0 HB VAL A 100 15.766 -0.926 7.912 1.00 13.24 H new ATOM 0 HG11 VAL A 100 15.814 -1.450 10.317 1.00 51.11 H new ATOM 0 HG12 VAL A 100 14.267 -1.915 9.569 1.00 51.11 H new ATOM 0 HG13 VAL A 100 15.482 -3.159 9.947 1.00 51.11 H new ATOM 0 HG21 VAL A 100 17.900 -1.496 8.996 1.00 64.41 H new ATOM 0 HG22 VAL A 100 17.655 -3.207 8.571 1.00 64.41 H new ATOM 0 HG23 VAL A 100 17.873 -1.994 7.288 1.00 64.41 H new ATOM 1474 N VAL A 101 14.556 -2.220 5.011 1.00 21.51 N ATOM 1475 CA VAL A 101 14.720 -1.760 3.638 1.00 44.54 C ATOM 1476 C VAL A 101 14.385 -0.278 3.511 1.00 12.34 C ATOM 1477 O VAL A 101 13.566 0.250 4.263 1.00 51.25 O ATOM 1478 CB VAL A 101 13.832 -2.560 2.667 1.00 65.32 C ATOM 1479 CG1 VAL A 101 14.179 -2.223 1.225 1.00 60.45 C ATOM 1480 CG2 VAL A 101 13.975 -4.053 2.923 1.00 12.03 C ATOM 0 H VAL A 101 13.587 -2.365 5.294 1.00 21.51 H new ATOM 0 HA VAL A 101 15.766 -1.917 3.375 1.00 44.54 H new ATOM 0 HB VAL A 101 12.792 -2.282 2.840 1.00 65.32 H new ATOM 0 HG11 VAL A 101 13.541 -2.798 0.553 1.00 60.45 H new ATOM 0 HG12 VAL A 101 14.022 -1.158 1.052 1.00 60.45 H new ATOM 0 HG13 VAL A 101 15.223 -2.471 1.035 1.00 60.45 H new ATOM 0 HG21 VAL A 101 13.341 -4.604 2.228 1.00 12.03 H new ATOM 0 HG22 VAL A 101 15.014 -4.349 2.778 1.00 12.03 H new ATOM 0 HG23 VAL A 101 13.673 -4.277 3.946 1.00 12.03 H new ATOM 1490 N GLY A 102 15.024 0.389 2.555 1.00 74.14 N ATOM 1491 CA GLY A 102 14.779 1.804 2.347 1.00 42.24 C ATOM 1492 C GLY A 102 14.431 2.127 0.907 1.00 43.10 C ATOM 1493 O GLY A 102 15.280 2.031 0.021 1.00 54.31 O ATOM 0 H GLY A 102 15.707 -0.025 1.921 1.00 74.14 H new ATOM 0 HA2 GLY A 102 13.965 2.128 2.996 1.00 42.24 H new ATOM 0 HA3 GLY A 102 15.664 2.370 2.639 1.00 42.24 H new ATOM 1497 N GLU A 103 13.180 2.509 0.674 1.00 74.04 N ATOM 1498 CA GLU A 103 12.722 2.844 -0.670 1.00 12.23 C ATOM 1499 C GLU A 103 13.182 4.243 -1.068 1.00 43.41 C ATOM 1500 O GLU A 103 13.401 4.525 -2.247 1.00 50.41 O ATOM 1501 CB GLU A 103 11.196 2.755 -0.750 1.00 4.43 C ATOM 1502 CG GLU A 103 10.680 1.345 -0.981 1.00 41.34 C ATOM 1503 CD GLU A 103 11.481 0.300 -0.230 1.00 30.14 C ATOM 1504 OE1 GLU A 103 12.587 -0.047 -0.694 1.00 42.55 O ATOM 1505 OE2 GLU A 103 11.002 -0.172 0.823 1.00 41.33 O ATOM 0 H GLU A 103 12.466 2.594 1.397 1.00 74.04 H new ATOM 0 HA GLU A 103 13.158 2.125 -1.364 1.00 12.23 H new ATOM 0 HB2 GLU A 103 10.769 3.142 0.175 1.00 4.43 H new ATOM 0 HB3 GLU A 103 10.845 3.398 -1.557 1.00 4.43 H new ATOM 0 HG2 GLU A 103 9.636 1.289 -0.671 1.00 41.34 H new ATOM 0 HG3 GLU A 103 10.709 1.122 -2.048 1.00 41.34 H new ATOM 1512 N LEU A 104 13.327 5.116 -0.077 1.00 41.53 N ATOM 1513 CA LEU A 104 13.761 6.487 -0.323 1.00 1.41 C ATOM 1514 C LEU A 104 14.917 6.866 0.597 1.00 21.35 C ATOM 1515 O LEU A 104 14.728 7.066 1.797 1.00 55.44 O ATOM 1516 CB LEU A 104 12.595 7.456 -0.121 1.00 11.44 C ATOM 1517 CG LEU A 104 11.473 7.382 -1.156 1.00 73.35 C ATOM 1518 CD1 LEU A 104 12.045 7.388 -2.565 1.00 64.53 C ATOM 1519 CD2 LEU A 104 10.620 6.142 -0.931 1.00 21.44 C ATOM 0 H LEU A 104 13.151 4.899 0.904 1.00 41.53 H new ATOM 0 HA LEU A 104 14.106 6.553 -1.355 1.00 1.41 H new ATOM 0 HB2 LEU A 104 12.165 7.275 0.864 1.00 11.44 H new ATOM 0 HB3 LEU A 104 12.990 8.472 -0.115 1.00 11.44 H new ATOM 0 HG LEU A 104 10.839 8.261 -1.039 1.00 73.35 H new ATOM 0 HD11 LEU A 104 11.231 7.335 -3.288 1.00 64.53 H new ATOM 0 HD12 LEU A 104 12.612 8.305 -2.724 1.00 64.53 H new ATOM 0 HD13 LEU A 104 12.702 6.528 -2.694 1.00 64.53 H new ATOM 0 HD21 LEU A 104 9.826 6.106 -1.677 1.00 21.44 H new ATOM 0 HD22 LEU A 104 11.242 5.251 -1.020 1.00 21.44 H new ATOM 0 HD23 LEU A 104 10.180 6.179 0.065 1.00 21.44 H new ATOM 1531 N GLU A 105 16.114 6.963 0.027 1.00 52.22 N ATOM 1532 CA GLU A 105 17.300 7.319 0.797 1.00 52.12 C ATOM 1533 C GLU A 105 17.152 8.707 1.413 1.00 0.30 C ATOM 1534 O GLU A 105 17.991 9.139 2.203 1.00 61.21 O ATOM 1535 CB GLU A 105 18.545 7.273 -0.092 1.00 13.52 C ATOM 1536 CG GLU A 105 18.501 8.254 -1.252 1.00 74.40 C ATOM 1537 CD GLU A 105 19.843 8.403 -1.941 1.00 21.20 C ATOM 1538 OE1 GLU A 105 20.319 9.550 -2.069 1.00 40.42 O ATOM 1539 OE2 GLU A 105 20.418 7.373 -2.352 1.00 15.11 O ATOM 0 H GLU A 105 16.288 6.800 -0.965 1.00 52.22 H new ATOM 0 HA GLU A 105 17.411 6.593 1.603 1.00 52.12 H new ATOM 0 HB2 GLU A 105 19.424 7.483 0.517 1.00 13.52 H new ATOM 0 HB3 GLU A 105 18.663 6.263 -0.485 1.00 13.52 H new ATOM 0 HG2 GLU A 105 17.759 7.920 -1.978 1.00 74.40 H new ATOM 0 HG3 GLU A 105 18.174 9.228 -0.887 1.00 74.40 H new TER 1546 GLU A 105