USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 545 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 92 ASN : amide:sc= 1.27 K(o=3.1,f=-1.7) USER MOD Set 1.2: A 93 GLN : amide:sc= 1.8 K(o=3.1,f=-1.7!) USER MOD Single : A 30 SER OG : rot 160:sc= 0.772 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 136:sc= 0.751 USER MOD Single : A 44 GLN : amide:sc= 0.541 K(o=0.54,f=-0.058) USER MOD Single : A 46 SER OG : rot 96:sc= 0.787 USER MOD Single : A 49 ASN : amide:sc= 1.5 K(o=1.5,f=-0.015) USER MOD Single : A 58 MET CE :methyl 158:sc= -1.82 (180deg=-3.86!) USER MOD Single : A 59 LYS NZ :NH3+ 153:sc= 1.32 (180deg=1.17) USER MOD Single : A 62 LYS NZ :NH3+ -142:sc= 1.2 (180deg=0.581) USER MOD Single : A 65 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 77 SER OG : rot 56:sc= 0.982 USER MOD Single : A 80 LYS NZ :NH3+ -162:sc= 0.83 (180deg=0.332) USER MOD Single : A 86 HIS : no HE2:sc= 0.663 K(o=0.66,f=-3.5!) USER MOD Single : A 88 LYS NZ :NH3+ 150:sc= 1.23 (180deg=0.576) USER MOD Single : A 89 SER OG : rot 46:sc= 0.116 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 72:sc= -0.649 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 5.263 10.700 6.205 1.00 0.00 N ATOM 36 CA SER A 30 5.211 10.830 4.747 1.00 0.00 C ATOM 37 C SER A 30 3.802 11.181 4.260 1.00 0.00 C ATOM 38 O SER A 30 3.647 11.681 3.147 1.00 0.00 O ATOM 39 CB SER A 30 5.626 9.531 4.050 1.00 0.00 C ATOM 40 OG SER A 30 7.012 9.305 4.204 1.00 0.00 O ATOM 0 HA SER A 30 5.906 11.631 4.495 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.067 8.693 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.376 9.585 2.990 1.00 0.00 H new ATOM 0 HG SER A 30 7.208 8.357 4.050 1.00 0.00 H new ATOM 46 N ASN A 31 2.771 10.922 5.069 1.00 0.00 N ATOM 47 CA ASN A 31 1.339 11.120 4.791 1.00 0.00 C ATOM 48 C ASN A 31 0.746 10.257 3.649 1.00 0.00 C ATOM 49 O ASN A 31 -0.478 10.144 3.585 1.00 0.00 O ATOM 50 CB ASN A 31 0.977 12.598 4.526 1.00 0.00 C ATOM 51 CG ASN A 31 1.730 13.632 5.338 1.00 0.00 C ATOM 52 OD1 ASN A 31 1.414 13.919 6.481 1.00 0.00 O ATOM 53 ND2 ASN A 31 2.730 14.252 4.754 1.00 0.00 N ATOM 0 H ASN A 31 2.922 10.541 6.003 1.00 0.00 H new ATOM 0 HA ASN A 31 0.881 10.778 5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.143 12.806 3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.089 12.727 4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.245 14.975 5.256 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.992 14.010 3.798 1.00 0.00 H new ATOM 60 N THR A 32 1.560 9.640 2.778 1.00 0.00 N ATOM 61 CA THR A 32 1.066 9.083 1.502 1.00 0.00 C ATOM 62 C THR A 32 1.586 7.716 1.034 1.00 0.00 C ATOM 63 O THR A 32 1.664 7.500 -0.171 1.00 0.00 O ATOM 64 CB THR A 32 1.265 10.110 0.368 1.00 0.00 C ATOM 65 OG1 THR A 32 2.641 10.323 0.136 1.00 0.00 O ATOM 66 CG2 THR A 32 0.637 11.472 0.624 1.00 0.00 C ATOM 0 H THR A 32 2.561 9.513 2.930 1.00 0.00 H new ATOM 0 HA THR A 32 0.019 8.884 1.732 1.00 0.00 H new ATOM 0 HB THR A 32 0.761 9.668 -0.491 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.812 10.337 -0.829 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.828 12.127 -0.226 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.439 11.357 0.759 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.071 11.909 1.523 1.00 0.00 H new ATOM 74 N ARG A 33 1.920 6.757 1.915 1.00 0.00 N ATOM 75 CA ARG A 33 2.534 5.484 1.462 1.00 0.00 C ATOM 76 C ARG A 33 1.888 4.255 2.085 1.00 0.00 C ATOM 77 O ARG A 33 1.705 4.178 3.296 1.00 0.00 O ATOM 78 CB ARG A 33 4.039 5.442 1.747 1.00 0.00 C ATOM 79 CG ARG A 33 5.022 6.202 0.871 1.00 0.00 C ATOM 80 CD ARG A 33 5.330 7.651 1.242 1.00 0.00 C ATOM 81 NE ARG A 33 6.303 8.186 0.280 1.00 0.00 N ATOM 82 CZ ARG A 33 7.247 9.100 0.365 1.00 0.00 C ATOM 83 NH1 ARG A 33 7.668 9.614 1.482 1.00 0.00 N ATOM 84 NH2 ARG A 33 7.804 9.510 -0.725 1.00 0.00 N ATOM 0 H ARG A 33 1.782 6.829 2.923 1.00 0.00 H new ATOM 0 HA ARG A 33 2.362 5.457 0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.181 5.796 2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.339 4.394 1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.962 5.650 0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.640 6.191 -0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.417 8.247 1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.730 7.705 2.254 1.00 0.00 H new ATOM 0 HE ARG A 33 6.233 7.762 -0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.262 9.312 2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.404 10.320 1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.510 9.127 -1.623 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.538 10.217 -0.688 1.00 0.00 H new ATOM 98 N LEU A 34 1.613 3.221 1.309 1.00 0.00 N ATOM 99 CA LEU A 34 0.789 2.087 1.738 1.00 0.00 C ATOM 100 C LEU A 34 1.583 0.768 1.828 1.00 0.00 C ATOM 101 O LEU A 34 2.182 0.370 0.830 1.00 0.00 O ATOM 102 CB LEU A 34 -0.439 2.010 0.832 1.00 0.00 C ATOM 103 CG LEU A 34 -1.182 3.320 0.415 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.415 4.371 1.510 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.535 3.977 -0.804 1.00 0.00 C ATOM 0 H LEU A 34 1.956 3.137 0.352 1.00 0.00 H new ATOM 0 HA LEU A 34 0.451 2.250 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.136 1.503 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.167 1.367 1.326 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.179 2.952 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.939 5.228 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.016 3.937 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.456 4.696 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.082 4.884 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.500 4.230 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.562 3.286 -1.647 1.00 0.00 H new ATOM 117 N PHE A 35 1.560 0.075 2.980 1.00 0.00 N ATOM 118 CA PHE A 35 2.445 -1.045 3.320 1.00 0.00 C ATOM 119 C PHE A 35 1.555 -2.278 3.379 1.00 0.00 C ATOM 120 O PHE A 35 0.654 -2.441 4.197 1.00 0.00 O ATOM 121 CB PHE A 35 3.353 -0.759 4.544 1.00 0.00 C ATOM 122 CG PHE A 35 4.232 -1.904 5.020 1.00 0.00 C ATOM 123 CD1 PHE A 35 4.908 -2.728 4.092 1.00 0.00 C ATOM 124 CD2 PHE A 35 4.489 -2.062 6.391 1.00 0.00 C ATOM 125 CE1 PHE A 35 5.812 -3.708 4.533 1.00 0.00 C ATOM 126 CE2 PHE A 35 5.401 -3.036 6.840 1.00 0.00 C ATOM 127 CZ PHE A 35 6.059 -3.864 5.910 1.00 0.00 C ATOM 0 H PHE A 35 0.898 0.290 3.726 1.00 0.00 H new ATOM 0 HA PHE A 35 3.210 -1.219 2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.996 0.087 4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.718 -0.448 5.374 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.728 -2.603 3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.983 -1.431 7.107 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.316 -4.340 3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.596 -3.148 7.896 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.752 -4.618 6.253 1.00 0.00 H new ATOM 137 N VAL A 36 1.763 -3.109 2.376 1.00 0.00 N ATOM 138 CA VAL A 36 0.818 -4.124 1.936 1.00 0.00 C ATOM 139 C VAL A 36 1.605 -5.410 1.709 1.00 0.00 C ATOM 140 O VAL A 36 2.322 -5.580 0.732 1.00 0.00 O ATOM 141 CB VAL A 36 0.144 -3.441 0.721 1.00 0.00 C ATOM 142 CG1 VAL A 36 -0.560 -4.231 -0.327 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.900 -2.417 1.232 1.00 0.00 C ATOM 0 H VAL A 36 2.622 -3.098 1.825 1.00 0.00 H new ATOM 0 HA VAL A 36 0.029 -4.443 2.618 1.00 0.00 H new ATOM 0 HB VAL A 36 1.027 -3.056 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.958 -3.556 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.140 -4.925 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.378 -4.790 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.379 -1.931 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.653 -2.932 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.403 -1.666 1.846 1.00 0.00 H new ATOM 153 N ARG A 37 1.516 -6.291 2.715 1.00 0.00 N ATOM 154 CA ARG A 37 2.390 -7.461 2.919 1.00 0.00 C ATOM 155 C ARG A 37 1.792 -8.792 3.445 1.00 0.00 C ATOM 156 O ARG A 37 2.593 -9.686 3.725 1.00 0.00 O ATOM 157 CB ARG A 37 3.566 -6.968 3.795 1.00 0.00 C ATOM 158 CG ARG A 37 3.182 -6.347 5.153 1.00 0.00 C ATOM 159 CD ARG A 37 3.262 -7.335 6.328 1.00 0.00 C ATOM 160 NE ARG A 37 2.340 -6.989 7.430 1.00 0.00 N ATOM 161 CZ ARG A 37 2.283 -5.877 8.150 1.00 0.00 C ATOM 162 NH1 ARG A 37 3.130 -4.899 8.011 1.00 0.00 N ATOM 163 NH2 ARG A 37 1.349 -5.715 9.038 1.00 0.00 N ATOM 0 H ARG A 37 0.804 -6.207 3.441 1.00 0.00 H new ATOM 0 HA ARG A 37 2.674 -7.792 1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.234 -7.809 3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.132 -6.230 3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.840 -5.502 5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.168 -5.953 5.089 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.032 -8.338 5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.283 -7.358 6.708 1.00 0.00 H new ATOM 0 HE ARG A 37 1.653 -7.704 7.670 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.880 -4.968 7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.044 -4.063 8.590 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.653 -6.446 9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.312 -4.857 9.588 1.00 0.00 H new ATOM 177 N PRO A 38 0.462 -9.010 3.597 1.00 0.00 N ATOM 178 CA PRO A 38 -0.082 -10.345 3.906 1.00 0.00 C ATOM 179 C PRO A 38 0.365 -11.458 2.954 1.00 0.00 C ATOM 180 O PRO A 38 0.619 -12.590 3.365 1.00 0.00 O ATOM 181 CB PRO A 38 -1.600 -10.212 3.778 1.00 0.00 C ATOM 182 CG PRO A 38 -1.869 -8.751 4.072 1.00 0.00 C ATOM 183 CD PRO A 38 -0.632 -8.051 3.517 1.00 0.00 C ATOM 0 HA PRO A 38 0.276 -10.632 4.895 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.941 -10.487 2.780 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.118 -10.862 4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.781 -8.404 3.586 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.989 -8.570 5.140 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.795 -7.735 2.487 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.404 -7.154 4.093 1.00 0.00 H new ATOM 191 N PHE A 39 0.379 -11.121 1.672 1.00 0.00 N ATOM 192 CA PHE A 39 0.569 -12.023 0.537 1.00 0.00 C ATOM 193 C PHE A 39 2.003 -12.564 0.459 1.00 0.00 C ATOM 194 O PHE A 39 2.938 -11.890 0.901 1.00 0.00 O ATOM 195 CB PHE A 39 0.275 -11.274 -0.770 1.00 0.00 C ATOM 196 CG PHE A 39 -0.489 -9.969 -0.652 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.202 -8.794 -0.290 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.881 -9.920 -0.866 1.00 0.00 C ATOM 199 CE1 PHE A 39 -0.500 -7.594 -0.163 1.00 0.00 C ATOM 200 CE2 PHE A 39 -2.560 -8.693 -0.803 1.00 0.00 C ATOM 201 CZ PHE A 39 -1.872 -7.528 -0.447 1.00 0.00 C ATOM 0 H PHE A 39 0.251 -10.154 1.375 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.114 -12.861 0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.224 -11.069 -1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.288 -11.940 -1.424 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.267 -8.822 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.426 -10.828 -1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.021 -6.704 0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.615 -8.648 -1.030 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.394 -6.584 -0.391 1.00 0.00 H new ATOM 211 N PRO A 40 2.216 -13.740 -0.152 1.00 0.00 N ATOM 212 CA PRO A 40 3.549 -14.164 -0.543 1.00 0.00 C ATOM 213 C PRO A 40 3.977 -13.440 -1.839 1.00 0.00 C ATOM 214 O PRO A 40 3.335 -12.479 -2.269 1.00 0.00 O ATOM 215 CB PRO A 40 3.472 -15.695 -0.689 1.00 0.00 C ATOM 216 CG PRO A 40 2.005 -16.068 -0.445 1.00 0.00 C ATOM 217 CD PRO A 40 1.241 -14.749 -0.517 1.00 0.00 C ATOM 0 HA PRO A 40 4.312 -13.906 0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.795 -16.009 -1.682 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.125 -16.189 0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.647 -16.772 -1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.876 -16.545 0.526 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.846 -14.574 -1.518 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.392 -14.745 0.166 1.00 0.00 H new ATOM 225 N LEU A 41 5.061 -13.899 -2.474 1.00 0.00 N ATOM 226 CA LEU A 41 5.631 -13.355 -3.722 1.00 0.00 C ATOM 227 C LEU A 41 4.622 -13.214 -4.892 1.00 0.00 C ATOM 228 O LEU A 41 4.916 -12.544 -5.873 1.00 0.00 O ATOM 229 CB LEU A 41 6.824 -14.234 -4.167 1.00 0.00 C ATOM 230 CG LEU A 41 8.122 -14.102 -3.343 1.00 0.00 C ATOM 231 CD1 LEU A 41 8.028 -14.661 -1.918 1.00 0.00 C ATOM 232 CD2 LEU A 41 9.254 -14.850 -4.045 1.00 0.00 C ATOM 0 H LEU A 41 5.592 -14.695 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 41 5.950 -12.340 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.508 -15.277 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.054 -13.997 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 41 8.306 -13.030 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.983 -14.527 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.249 -14.131 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.785 -15.723 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.170 -14.755 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.991 -15.904 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.411 -14.426 -5.037 1.00 0.00 H new ATOM 244 N ASP A 42 3.448 -13.841 -4.788 1.00 0.00 N ATOM 245 CA ASP A 42 2.341 -13.808 -5.743 1.00 0.00 C ATOM 246 C ASP A 42 1.770 -12.410 -6.051 1.00 0.00 C ATOM 247 O ASP A 42 1.356 -12.191 -7.185 1.00 0.00 O ATOM 248 CB ASP A 42 1.205 -14.703 -5.216 1.00 0.00 C ATOM 249 CG ASP A 42 1.635 -16.165 -4.990 1.00 0.00 C ATOM 250 OD1 ASP A 42 2.285 -16.446 -3.959 1.00 0.00 O ATOM 251 OD2 ASP A 42 1.322 -17.027 -5.848 1.00 0.00 O ATOM 0 H ASP A 42 3.232 -14.424 -3.979 1.00 0.00 H new ATOM 0 HA ASP A 42 2.757 -14.167 -6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.834 -14.292 -4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.376 -14.681 -5.924 1.00 0.00 H new ATOM 256 N VAL A 43 1.748 -11.465 -5.100 1.00 0.00 N ATOM 257 CA VAL A 43 1.214 -10.101 -5.336 1.00 0.00 C ATOM 258 C VAL A 43 2.097 -9.298 -6.298 1.00 0.00 C ATOM 259 O VAL A 43 3.325 -9.337 -6.205 1.00 0.00 O ATOM 260 CB VAL A 43 0.975 -9.324 -4.020 1.00 0.00 C ATOM 261 CG1 VAL A 43 2.260 -8.983 -3.245 1.00 0.00 C ATOM 262 CG2 VAL A 43 0.179 -8.028 -4.254 1.00 0.00 C ATOM 0 H VAL A 43 2.094 -11.615 -4.152 1.00 0.00 H new ATOM 0 HA VAL A 43 0.242 -10.234 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 43 0.395 -10.014 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.003 -8.439 -2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.781 -9.903 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.907 -8.365 -3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.034 -7.514 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.730 -7.381 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.791 -8.270 -4.688 1.00 0.00 H new ATOM 272 N GLN A 44 1.476 -8.533 -7.204 1.00 0.00 N ATOM 273 CA GLN A 44 2.155 -7.706 -8.210 1.00 0.00 C ATOM 274 C GLN A 44 1.389 -6.394 -8.421 1.00 0.00 C ATOM 275 O GLN A 44 0.280 -6.204 -7.912 1.00 0.00 O ATOM 276 CB GLN A 44 2.287 -8.412 -9.588 1.00 0.00 C ATOM 277 CG GLN A 44 2.615 -9.911 -9.651 1.00 0.00 C ATOM 278 CD GLN A 44 3.931 -10.331 -9.001 1.00 0.00 C ATOM 279 OE1 GLN A 44 4.966 -9.680 -9.108 1.00 0.00 O ATOM 280 NE2 GLN A 44 3.926 -11.467 -8.342 1.00 0.00 N ATOM 0 H GLN A 44 0.459 -8.470 -7.259 1.00 0.00 H new ATOM 0 HA GLN A 44 3.157 -7.521 -7.822 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.348 -8.262 -10.121 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.059 -7.887 -10.150 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.804 -10.461 -9.174 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.635 -10.216 -10.697 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.063 -12.003 -8.257 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.786 -11.813 -7.915 1.00 0.00 H new ATOM 289 N GLU A 45 1.948 -5.501 -9.248 1.00 0.00 N ATOM 290 CA GLU A 45 1.302 -4.240 -9.618 1.00 0.00 C ATOM 291 C GLU A 45 -0.117 -4.437 -10.170 1.00 0.00 C ATOM 292 O GLU A 45 -0.961 -3.597 -9.901 1.00 0.00 O ATOM 293 CB GLU A 45 2.163 -3.475 -10.637 1.00 0.00 C ATOM 294 CG GLU A 45 1.916 -1.955 -10.587 1.00 0.00 C ATOM 295 CD GLU A 45 1.971 -1.278 -11.969 1.00 0.00 C ATOM 296 OE1 GLU A 45 2.979 -1.444 -12.703 1.00 0.00 O ATOM 297 OE2 GLU A 45 1.005 -0.558 -12.332 1.00 0.00 O ATOM 0 H GLU A 45 2.863 -5.635 -9.679 1.00 0.00 H new ATOM 0 HA GLU A 45 1.211 -3.655 -8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.217 -3.676 -10.443 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.948 -3.843 -11.640 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.940 -1.768 -10.138 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.660 -1.495 -9.936 1.00 0.00 H new ATOM 304 N SER A 46 -0.434 -5.533 -10.865 1.00 0.00 N ATOM 305 CA SER A 46 -1.800 -5.836 -11.342 1.00 0.00 C ATOM 306 C SER A 46 -2.819 -6.103 -10.218 1.00 0.00 C ATOM 307 O SER A 46 -3.984 -5.704 -10.320 1.00 0.00 O ATOM 308 CB SER A 46 -1.773 -7.024 -12.317 1.00 0.00 C ATOM 309 OG SER A 46 -0.957 -8.091 -11.857 1.00 0.00 O ATOM 0 H SER A 46 0.251 -6.245 -11.118 1.00 0.00 H new ATOM 0 HA SER A 46 -2.141 -4.934 -11.851 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.789 -7.388 -12.468 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.408 -6.685 -13.287 1.00 0.00 H new ATOM 0 HG SER A 46 -1.515 -8.757 -11.404 1.00 0.00 H new ATOM 315 N GLU A 47 -2.395 -6.715 -9.109 1.00 0.00 N ATOM 316 CA GLU A 47 -3.254 -7.075 -7.989 1.00 0.00 C ATOM 317 C GLU A 47 -3.473 -5.843 -7.126 1.00 0.00 C ATOM 318 O GLU A 47 -4.585 -5.528 -6.704 1.00 0.00 O ATOM 319 CB GLU A 47 -2.513 -8.156 -7.201 1.00 0.00 C ATOM 320 CG GLU A 47 -2.714 -9.557 -7.794 1.00 0.00 C ATOM 321 CD GLU A 47 -1.990 -9.750 -9.142 1.00 0.00 C ATOM 322 OE1 GLU A 47 -0.755 -9.921 -9.121 1.00 0.00 O ATOM 323 OE2 GLU A 47 -2.638 -9.716 -10.213 1.00 0.00 O ATOM 0 H GLU A 47 -1.420 -6.978 -8.966 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.226 -7.442 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.449 -7.922 -7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.859 -8.149 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.353 -10.301 -7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.780 -9.738 -7.931 1.00 0.00 H new ATOM 330 N LEU A 48 -2.399 -5.073 -6.966 1.00 0.00 N ATOM 331 CA LEU A 48 -2.441 -3.752 -6.385 1.00 0.00 C ATOM 332 C LEU A 48 -3.299 -2.827 -7.263 1.00 0.00 C ATOM 333 O LEU A 48 -4.102 -2.083 -6.729 1.00 0.00 O ATOM 334 CB LEU A 48 -0.995 -3.275 -6.248 1.00 0.00 C ATOM 335 CG LEU A 48 -0.141 -4.181 -5.347 1.00 0.00 C ATOM 336 CD1 LEU A 48 1.334 -4.060 -5.634 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.287 -3.772 -3.906 1.00 0.00 C ATOM 0 H LEU A 48 -1.462 -5.364 -7.245 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.906 -3.751 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.540 -3.225 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.990 -2.263 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.492 -5.195 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.889 -4.721 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.527 -4.340 -6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.653 -3.031 -5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.323 -4.422 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.042 -2.740 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.332 -3.857 -3.608 1.00 0.00 H new ATOM 349 N ASN A 49 -3.232 -2.914 -8.591 1.00 0.00 N ATOM 350 CA ASN A 49 -4.114 -2.133 -9.478 1.00 0.00 C ATOM 351 C ASN A 49 -5.598 -2.467 -9.256 1.00 0.00 C ATOM 352 O ASN A 49 -6.425 -1.558 -9.205 1.00 0.00 O ATOM 353 CB ASN A 49 -3.747 -2.292 -10.966 1.00 0.00 C ATOM 354 CG ASN A 49 -2.846 -1.185 -11.500 1.00 0.00 C ATOM 355 OD1 ASN A 49 -3.266 -0.302 -12.236 1.00 0.00 O ATOM 356 ND2 ASN A 49 -1.581 -1.216 -11.158 1.00 0.00 N ATOM 0 H ASN A 49 -2.575 -3.519 -9.085 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.955 -1.089 -9.208 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.250 -3.252 -11.107 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.663 -2.318 -11.556 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.941 -0.502 -11.506 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.237 -1.954 -10.544 1.00 0.00 H new ATOM 363 N GLU A 50 -5.945 -3.741 -9.049 1.00 0.00 N ATOM 364 CA GLU A 50 -7.309 -4.127 -8.654 1.00 0.00 C ATOM 365 C GLU A 50 -7.744 -3.547 -7.295 1.00 0.00 C ATOM 366 O GLU A 50 -8.877 -3.080 -7.156 1.00 0.00 O ATOM 367 CB GLU A 50 -7.434 -5.656 -8.626 1.00 0.00 C ATOM 368 CG GLU A 50 -7.855 -6.213 -9.996 1.00 0.00 C ATOM 369 CD GLU A 50 -8.207 -7.710 -9.900 1.00 0.00 C ATOM 370 OE1 GLU A 50 -9.377 -8.041 -9.583 1.00 0.00 O ATOM 371 OE2 GLU A 50 -7.327 -8.570 -10.148 1.00 0.00 O ATOM 0 H GLU A 50 -5.301 -4.526 -9.148 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.977 -3.703 -9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.481 -6.095 -8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.166 -5.948 -7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.715 -5.657 -10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.047 -6.071 -10.714 1.00 0.00 H new ATOM 378 N ILE A 51 -6.859 -3.567 -6.295 1.00 0.00 N ATOM 379 CA ILE A 51 -7.162 -3.149 -4.910 1.00 0.00 C ATOM 380 C ILE A 51 -7.122 -1.616 -4.721 1.00 0.00 C ATOM 381 O ILE A 51 -7.937 -1.071 -3.983 1.00 0.00 O ATOM 382 CB ILE A 51 -6.158 -3.853 -3.975 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.377 -5.386 -3.940 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.190 -3.299 -2.533 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.188 -6.164 -3.346 1.00 0.00 C ATOM 0 H ILE A 51 -5.895 -3.878 -6.419 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.184 -3.442 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.176 -3.642 -4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.271 -5.604 -3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.563 -5.741 -4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.462 -3.833 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.944 -2.237 -2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.187 -3.435 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.411 -7.231 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.296 -5.976 -3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.014 -5.836 -2.321 1.00 0.00 H new ATOM 397 N PHE A 52 -6.194 -0.924 -5.396 1.00 0.00 N ATOM 398 CA PHE A 52 -5.845 0.496 -5.208 1.00 0.00 C ATOM 399 C PHE A 52 -6.350 1.414 -6.323 1.00 0.00 C ATOM 400 O PHE A 52 -6.504 2.619 -6.113 1.00 0.00 O ATOM 401 CB PHE A 52 -4.343 0.689 -5.139 1.00 0.00 C ATOM 402 CG PHE A 52 -3.677 0.191 -3.885 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.478 -1.184 -3.693 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.156 1.113 -2.965 1.00 0.00 C ATOM 405 CE1 PHE A 52 -2.657 -1.638 -2.662 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.289 0.657 -1.969 1.00 0.00 C ATOM 407 CZ PHE A 52 -1.980 -0.706 -1.874 1.00 0.00 C ATOM 0 H PHE A 52 -5.635 -1.361 -6.128 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.334 0.768 -4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.891 0.185 -5.993 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.127 1.752 -5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.963 -1.894 -4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.421 2.158 -3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.546 -2.696 -2.476 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.856 1.357 -1.270 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.214 -1.037 -1.188 1.00 0.00 H new ATOM 417 N GLY A 53 -6.641 0.854 -7.499 1.00 0.00 N ATOM 418 CA GLY A 53 -7.330 1.544 -8.588 1.00 0.00 C ATOM 419 C GLY A 53 -8.609 2.302 -8.174 1.00 0.00 C ATOM 420 O GLY A 53 -8.849 3.367 -8.756 1.00 0.00 O ATOM 0 H GLY A 53 -6.399 -0.111 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.638 2.252 -9.045 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.591 0.813 -9.354 1.00 0.00 H new ATOM 424 N PRO A 54 -9.416 1.855 -7.178 1.00 0.00 N ATOM 425 CA PRO A 54 -10.543 2.646 -6.672 1.00 0.00 C ATOM 426 C PRO A 54 -10.140 3.987 -6.017 1.00 0.00 C ATOM 427 O PRO A 54 -10.966 4.898 -5.938 1.00 0.00 O ATOM 428 CB PRO A 54 -11.260 1.748 -5.646 1.00 0.00 C ATOM 429 CG PRO A 54 -10.787 0.336 -5.988 1.00 0.00 C ATOM 430 CD PRO A 54 -9.356 0.601 -6.425 1.00 0.00 C ATOM 0 HA PRO A 54 -11.178 2.933 -7.511 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.995 2.020 -4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.343 1.836 -5.728 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.838 -0.334 -5.130 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.382 -0.116 -6.781 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.691 0.688 -5.566 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -8.975 -0.212 -7.042 1.00 0.00 H new ATOM 438 N PHE A 55 -8.895 4.122 -5.542 1.00 0.00 N ATOM 439 CA PHE A 55 -8.420 5.286 -4.773 1.00 0.00 C ATOM 440 C PHE A 55 -7.902 6.381 -5.700 1.00 0.00 C ATOM 441 O PHE A 55 -8.151 7.564 -5.460 1.00 0.00 O ATOM 442 CB PHE A 55 -7.300 4.880 -3.810 1.00 0.00 C ATOM 443 CG PHE A 55 -7.527 3.610 -3.024 1.00 0.00 C ATOM 444 CD1 PHE A 55 -8.829 3.154 -2.754 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.423 2.827 -2.652 1.00 0.00 C ATOM 446 CE1 PHE A 55 -9.025 1.898 -2.166 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.617 1.617 -1.953 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.923 1.143 -1.744 1.00 0.00 C ATOM 0 H PHE A 55 -8.174 3.414 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.268 5.668 -4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.379 4.769 -4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.141 5.696 -3.105 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.679 3.773 -3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.423 3.151 -2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.025 1.512 -2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.769 1.060 -1.582 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.078 0.192 -1.256 1.00 0.00 H new ATOM 458 N GLY A 56 -7.179 5.979 -6.747 1.00 0.00 N ATOM 459 CA GLY A 56 -6.886 6.859 -7.857 1.00 0.00 C ATOM 460 C GLY A 56 -5.446 6.917 -8.385 1.00 0.00 C ATOM 461 O GLY A 56 -5.131 6.185 -9.331 1.00 0.00 O ATOM 0 H GLY A 56 -6.788 5.042 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.532 6.572 -8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.173 7.869 -7.564 1.00 0.00 H new ATOM 465 N PRO A 57 -4.572 7.789 -7.838 1.00 0.00 N ATOM 466 CA PRO A 57 -3.290 8.129 -8.480 1.00 0.00 C ATOM 467 C PRO A 57 -2.252 7.007 -8.666 1.00 0.00 C ATOM 468 O PRO A 57 -1.536 7.013 -9.665 1.00 0.00 O ATOM 469 CB PRO A 57 -2.712 9.303 -7.672 1.00 0.00 C ATOM 470 CG PRO A 57 -3.910 9.859 -6.898 1.00 0.00 C ATOM 471 CD PRO A 57 -4.781 8.627 -6.663 1.00 0.00 C ATOM 0 HA PRO A 57 -3.513 8.371 -9.519 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.923 8.971 -6.998 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.276 10.059 -8.325 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.603 10.319 -5.959 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.439 10.622 -7.469 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.491 8.107 -5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.831 8.900 -6.554 1.00 0.00 H new ATOM 479 N MET A 58 -2.160 6.070 -7.715 1.00 0.00 N ATOM 480 CA MET A 58 -1.113 5.020 -7.580 1.00 0.00 C ATOM 481 C MET A 58 0.269 5.433 -8.095 1.00 0.00 C ATOM 482 O MET A 58 0.923 4.780 -8.914 1.00 0.00 O ATOM 483 CB MET A 58 -1.516 3.724 -8.250 1.00 0.00 C ATOM 484 CG MET A 58 -2.959 3.273 -8.006 1.00 0.00 C ATOM 485 SD MET A 58 -3.315 1.607 -8.622 1.00 0.00 S ATOM 486 CE MET A 58 -2.059 0.694 -7.685 1.00 0.00 C ATOM 0 H MET A 58 -2.851 6.011 -6.967 1.00 0.00 H new ATOM 0 HA MET A 58 -1.030 4.873 -6.503 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.364 3.829 -9.324 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.845 2.936 -7.908 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.165 3.307 -6.936 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.637 3.980 -8.484 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.349 -0.354 -7.613 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.098 0.771 -8.194 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.974 1.116 -6.684 1.00 0.00 H new ATOM 496 N LYS A 59 0.684 6.589 -7.611 1.00 0.00 N ATOM 497 CA LYS A 59 1.869 7.319 -7.999 1.00 0.00 C ATOM 498 C LYS A 59 3.155 6.509 -7.855 1.00 0.00 C ATOM 499 O LYS A 59 4.129 6.755 -8.562 1.00 0.00 O ATOM 500 CB LYS A 59 1.841 8.528 -7.077 1.00 0.00 C ATOM 501 CG LYS A 59 2.648 9.722 -7.504 1.00 0.00 C ATOM 502 CD LYS A 59 4.122 9.735 -7.132 1.00 0.00 C ATOM 503 CE LYS A 59 4.539 9.248 -5.737 1.00 0.00 C ATOM 504 NZ LYS A 59 6.022 9.169 -5.620 1.00 0.00 N ATOM 0 H LYS A 59 0.160 7.075 -6.883 1.00 0.00 H new ATOM 0 HA LYS A 59 1.865 7.582 -9.057 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.804 8.843 -6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.192 8.214 -6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.573 9.810 -8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.185 10.612 -7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.652 9.128 -7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.482 10.758 -7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.147 9.926 -4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.103 8.268 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.299 9.293 -4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.348 8.241 -5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.456 9.918 -6.196 1.00 0.00 H new ATOM 518 N GLU A 60 3.140 5.531 -6.956 1.00 0.00 N ATOM 519 CA GLU A 60 4.207 4.529 -6.854 1.00 0.00 C ATOM 520 C GLU A 60 3.703 3.220 -6.296 1.00 0.00 C ATOM 521 O GLU A 60 2.666 3.168 -5.640 1.00 0.00 O ATOM 522 CB GLU A 60 5.398 5.063 -6.035 1.00 0.00 C ATOM 523 CG GLU A 60 6.782 4.768 -6.609 1.00 0.00 C ATOM 524 CD GLU A 60 7.846 5.444 -5.730 1.00 0.00 C ATOM 525 OE1 GLU A 60 7.946 6.692 -5.773 1.00 0.00 O ATOM 526 OE2 GLU A 60 8.549 4.726 -4.980 1.00 0.00 O ATOM 0 H GLU A 60 2.390 5.406 -6.276 1.00 0.00 H new ATOM 0 HA GLU A 60 4.558 4.331 -7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.290 6.143 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.344 4.641 -5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.952 3.692 -6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.851 5.136 -7.633 1.00 0.00 H new ATOM 533 N VAL A 61 4.435 2.158 -6.618 1.00 0.00 N ATOM 534 CA VAL A 61 4.066 0.773 -6.355 1.00 0.00 C ATOM 535 C VAL A 61 5.350 -0.055 -6.265 1.00 0.00 C ATOM 536 O VAL A 61 5.678 -0.823 -7.175 1.00 0.00 O ATOM 537 CB VAL A 61 3.091 0.218 -7.433 1.00 0.00 C ATOM 538 CG1 VAL A 61 2.320 -0.965 -6.860 1.00 0.00 C ATOM 539 CG2 VAL A 61 2.044 1.179 -8.018 1.00 0.00 C ATOM 0 H VAL A 61 5.336 2.243 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 61 3.526 0.712 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 61 3.762 -0.028 -8.256 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.637 -1.354 -7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.020 -1.747 -6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.751 -0.641 -5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.438 0.652 -8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.402 1.549 -7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.548 2.019 -8.496 1.00 0.00 H new ATOM 549 N LYS A 62 6.151 0.155 -5.215 1.00 0.00 N ATOM 550 CA LYS A 62 7.376 -0.631 -5.013 1.00 0.00 C ATOM 551 C LYS A 62 6.980 -2.078 -4.726 1.00 0.00 C ATOM 552 O LYS A 62 6.240 -2.313 -3.780 1.00 0.00 O ATOM 553 CB LYS A 62 8.251 -0.078 -3.878 1.00 0.00 C ATOM 554 CG LYS A 62 8.510 1.439 -3.931 1.00 0.00 C ATOM 555 CD LYS A 62 9.907 1.788 -3.382 1.00 0.00 C ATOM 556 CE LYS A 62 10.922 1.881 -4.525 1.00 0.00 C ATOM 557 NZ LYS A 62 10.938 3.249 -5.110 1.00 0.00 N ATOM 0 H LYS A 62 5.976 0.857 -4.496 1.00 0.00 H new ATOM 0 HA LYS A 62 7.977 -0.571 -5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.777 -0.317 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.210 -0.595 -3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.423 1.789 -4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.748 1.961 -3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.867 2.735 -2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.224 1.029 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.916 1.627 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.673 1.153 -5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.059 3.184 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.040 3.729 -4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.726 3.792 -4.703 1.00 0.00 H new ATOM 571 N ILE A 63 7.458 -3.027 -5.528 1.00 0.00 N ATOM 572 CA ILE A 63 7.150 -4.464 -5.397 1.00 0.00 C ATOM 573 C ILE A 63 8.411 -5.246 -5.011 1.00 0.00 C ATOM 574 O ILE A 63 9.437 -5.196 -5.694 1.00 0.00 O ATOM 575 CB ILE A 63 6.587 -5.074 -6.705 1.00 0.00 C ATOM 576 CG1 ILE A 63 5.513 -4.263 -7.460 1.00 0.00 C ATOM 577 CG2 ILE A 63 6.084 -6.510 -6.459 1.00 0.00 C ATOM 578 CD1 ILE A 63 4.180 -4.092 -6.731 1.00 0.00 C ATOM 0 H ILE A 63 8.085 -2.822 -6.306 1.00 0.00 H new ATOM 0 HA ILE A 63 6.389 -4.544 -4.621 1.00 0.00 H new ATOM 0 HB ILE A 63 7.446 -5.058 -7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.917 -3.274 -7.678 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.323 -4.748 -8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.692 -6.923 -7.389 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.909 -7.129 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.295 -6.495 -5.707 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.499 -3.508 -7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.743 -5.072 -6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.346 -3.575 -5.786 1.00 0.00 H new ATOM 590 N LEU A 64 8.314 -5.982 -3.906 1.00 0.00 N ATOM 591 CA LEU A 64 9.342 -6.812 -3.294 1.00 0.00 C ATOM 592 C LEU A 64 8.758 -8.200 -2.946 1.00 0.00 C ATOM 593 O LEU A 64 7.567 -8.443 -3.144 1.00 0.00 O ATOM 594 CB LEU A 64 9.861 -6.088 -2.040 1.00 0.00 C ATOM 595 CG LEU A 64 10.521 -4.708 -2.245 1.00 0.00 C ATOM 596 CD1 LEU A 64 9.616 -3.532 -2.649 1.00 0.00 C ATOM 597 CD2 LEU A 64 11.244 -4.349 -0.962 1.00 0.00 C ATOM 0 H LEU A 64 7.444 -6.014 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 64 10.172 -6.971 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.025 -5.964 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.584 -6.739 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 64 11.172 -4.838 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.218 -2.630 -2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.128 -3.758 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.860 -3.374 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.723 -3.376 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.529 -4.309 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.001 -5.103 -0.748 1.00 0.00 H new ATOM 609 N ASN A 65 9.600 -9.094 -2.413 1.00 0.00 N ATOM 610 CA ASN A 65 9.426 -10.545 -2.163 1.00 0.00 C ATOM 611 C ASN A 65 8.245 -10.986 -1.250 1.00 0.00 C ATOM 612 O ASN A 65 8.421 -11.730 -0.283 1.00 0.00 O ATOM 613 CB ASN A 65 10.735 -11.050 -1.548 1.00 0.00 C ATOM 614 CG ASN A 65 11.984 -10.684 -2.332 1.00 0.00 C ATOM 615 OD1 ASN A 65 12.215 -11.157 -3.436 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.809 -9.806 -1.801 1.00 0.00 N ATOM 0 H ASN A 65 10.526 -8.792 -2.110 1.00 0.00 H new ATOM 0 HA ASN A 65 9.174 -10.977 -3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.825 -10.649 -0.538 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.684 -12.135 -1.457 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.644 -9.518 -2.311 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.613 -9.414 -0.880 1.00 0.00 H new ATOM 623 N GLY A 66 7.044 -10.496 -1.513 1.00 0.00 N ATOM 624 CA GLY A 66 5.864 -10.620 -0.666 1.00 0.00 C ATOM 625 C GLY A 66 5.343 -9.273 -0.159 1.00 0.00 C ATOM 626 O GLY A 66 4.394 -9.240 0.618 1.00 0.00 O ATOM 0 H GLY A 66 6.854 -9.973 -2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.074 -11.121 -1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.102 -11.255 0.187 1.00 0.00 H new ATOM 630 N PHE A 67 5.954 -8.158 -0.579 1.00 0.00 N ATOM 631 CA PHE A 67 5.660 -6.836 -0.023 1.00 0.00 C ATOM 632 C PHE A 67 5.454 -5.809 -1.140 1.00 0.00 C ATOM 633 O PHE A 67 6.179 -5.769 -2.126 1.00 0.00 O ATOM 634 CB PHE A 67 6.787 -6.373 0.919 1.00 0.00 C ATOM 635 CG PHE A 67 7.436 -7.433 1.794 1.00 0.00 C ATOM 636 CD1 PHE A 67 8.429 -8.277 1.260 1.00 0.00 C ATOM 637 CD2 PHE A 67 7.079 -7.562 3.151 1.00 0.00 C ATOM 638 CE1 PHE A 67 9.013 -9.280 2.050 1.00 0.00 C ATOM 639 CE2 PHE A 67 7.664 -8.564 3.947 1.00 0.00 C ATOM 640 CZ PHE A 67 8.623 -9.431 3.396 1.00 0.00 C ATOM 0 H PHE A 67 6.664 -8.149 -1.312 1.00 0.00 H new ATOM 0 HA PHE A 67 4.737 -6.915 0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.566 -5.911 0.313 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.386 -5.596 1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.744 -8.152 0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.353 -6.889 3.582 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.760 -9.935 1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.376 -8.667 4.983 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.060 -10.211 4.002 1.00 0.00 H new ATOM 650 N ALA A 68 4.490 -4.931 -0.925 1.00 0.00 N ATOM 651 CA ALA A 68 4.155 -3.794 -1.767 1.00 0.00 C ATOM 652 C ALA A 68 4.216 -2.541 -0.896 1.00 0.00 C ATOM 653 O ALA A 68 3.709 -2.528 0.232 1.00 0.00 O ATOM 654 CB ALA A 68 2.771 -4.019 -2.345 1.00 0.00 C ATOM 0 H ALA A 68 3.883 -4.996 -0.108 1.00 0.00 H new ATOM 0 HA ALA A 68 4.850 -3.675 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.501 -3.176 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.768 -4.935 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.048 -4.108 -1.534 1.00 0.00 H new ATOM 660 N PHE A 69 4.828 -1.491 -1.430 1.00 0.00 N ATOM 661 CA PHE A 69 4.934 -0.190 -0.785 1.00 0.00 C ATOM 662 C PHE A 69 4.454 0.838 -1.797 1.00 0.00 C ATOM 663 O PHE A 69 5.203 1.367 -2.625 1.00 0.00 O ATOM 664 CB PHE A 69 6.327 0.144 -0.213 1.00 0.00 C ATOM 665 CG PHE A 69 7.056 -0.987 0.470 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.490 -2.078 -0.291 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.345 -0.944 1.851 1.00 0.00 C ATOM 668 CE1 PHE A 69 8.161 -3.141 0.306 1.00 0.00 C ATOM 669 CE2 PHE A 69 8.089 -1.989 2.437 1.00 0.00 C ATOM 670 CZ PHE A 69 8.508 -3.086 1.659 1.00 0.00 C ATOM 0 H PHE A 69 5.275 -1.522 -2.346 1.00 0.00 H new ATOM 0 HA PHE A 69 4.310 -0.189 0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.952 0.512 -1.027 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.218 0.961 0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.302 -2.095 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.999 -0.117 2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.415 -4.013 -0.279 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.339 -1.948 3.487 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.092 -3.878 2.104 1.00 0.00 H new ATOM 680 N VAL A 70 3.140 0.982 -1.813 1.00 0.00 N ATOM 681 CA VAL A 70 2.415 1.844 -2.743 1.00 0.00 C ATOM 682 C VAL A 70 2.518 3.278 -2.246 1.00 0.00 C ATOM 683 O VAL A 70 2.940 3.534 -1.118 1.00 0.00 O ATOM 684 CB VAL A 70 0.988 1.295 -2.957 1.00 0.00 C ATOM 685 CG1 VAL A 70 0.278 1.695 -4.243 1.00 0.00 C ATOM 686 CG2 VAL A 70 1.048 -0.211 -3.181 1.00 0.00 C ATOM 0 H VAL A 70 2.527 0.490 -1.163 1.00 0.00 H new ATOM 0 HA VAL A 70 2.851 1.848 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 70 0.474 1.677 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.713 1.243 -4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.183 2.780 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.856 1.349 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.040 -0.597 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.654 -0.424 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.494 -0.691 -2.310 1.00 0.00 H new ATOM 696 N GLU A 71 2.168 4.242 -3.080 1.00 0.00 N ATOM 697 CA GLU A 71 2.397 5.647 -2.784 1.00 0.00 C ATOM 698 C GLU A 71 1.500 6.534 -3.632 1.00 0.00 C ATOM 699 O GLU A 71 1.160 6.204 -4.769 1.00 0.00 O ATOM 700 CB GLU A 71 3.847 5.975 -3.150 1.00 0.00 C ATOM 701 CG GLU A 71 4.269 7.362 -2.650 1.00 0.00 C ATOM 702 CD GLU A 71 5.779 7.578 -2.614 1.00 0.00 C ATOM 703 OE1 GLU A 71 6.502 6.718 -2.077 1.00 0.00 O ATOM 704 OE2 GLU A 71 6.260 8.684 -2.946 1.00 0.00 O ATOM 0 H GLU A 71 1.718 4.074 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 71 2.187 5.825 -1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.508 5.220 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.967 5.929 -4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.819 8.120 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.867 7.513 -1.648 1.00 0.00 H new ATOM 711 N PHE A 72 1.253 7.721 -3.087 1.00 0.00 N ATOM 712 CA PHE A 72 0.624 8.839 -3.764 1.00 0.00 C ATOM 713 C PHE A 72 1.401 10.138 -3.539 1.00 0.00 C ATOM 714 O PHE A 72 2.259 10.232 -2.664 1.00 0.00 O ATOM 715 CB PHE A 72 -0.820 8.947 -3.282 1.00 0.00 C ATOM 716 CG PHE A 72 -1.595 7.645 -3.235 1.00 0.00 C ATOM 717 CD1 PHE A 72 -2.085 7.065 -4.420 1.00 0.00 C ATOM 718 CD2 PHE A 72 -1.910 7.068 -1.996 1.00 0.00 C ATOM 719 CE1 PHE A 72 -2.922 5.936 -4.359 1.00 0.00 C ATOM 720 CE2 PHE A 72 -2.762 5.956 -1.936 1.00 0.00 C ATOM 721 CZ PHE A 72 -3.264 5.392 -3.115 1.00 0.00 C ATOM 0 H PHE A 72 1.498 7.934 -2.120 1.00 0.00 H new ATOM 0 HA PHE A 72 0.630 8.667 -4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.819 9.384 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.351 9.641 -3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.818 7.487 -5.378 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.496 7.480 -1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.299 5.491 -5.268 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.031 5.534 -0.979 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.918 4.534 -3.065 1.00 0.00 H new ATOM 731 N GLU A 73 1.092 11.153 -4.344 1.00 0.00 N ATOM 732 CA GLU A 73 1.695 12.487 -4.219 1.00 0.00 C ATOM 733 C GLU A 73 0.785 13.478 -3.454 1.00 0.00 C ATOM 734 O GLU A 73 1.131 14.651 -3.308 1.00 0.00 O ATOM 735 CB GLU A 73 2.137 13.008 -5.589 1.00 0.00 C ATOM 736 CG GLU A 73 0.996 13.127 -6.613 1.00 0.00 C ATOM 737 CD GLU A 73 1.498 13.661 -7.974 1.00 0.00 C ATOM 738 OE1 GLU A 73 2.376 13.021 -8.601 1.00 0.00 O ATOM 739 OE2 GLU A 73 1.007 14.722 -8.435 1.00 0.00 O ATOM 0 H GLU A 73 0.416 11.078 -5.104 1.00 0.00 H new ATOM 0 HA GLU A 73 2.591 12.395 -3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.600 13.986 -5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.902 12.343 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.532 12.151 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.226 13.793 -6.223 1.00 0.00 H new ATOM 746 N GLU A 74 -0.376 13.021 -2.958 1.00 0.00 N ATOM 747 CA GLU A 74 -1.371 13.835 -2.247 1.00 0.00 C ATOM 748 C GLU A 74 -2.000 13.062 -1.066 1.00 0.00 C ATOM 749 O GLU A 74 -2.113 11.832 -1.094 1.00 0.00 O ATOM 750 CB GLU A 74 -2.453 14.299 -3.252 1.00 0.00 C ATOM 751 CG GLU A 74 -2.856 15.773 -3.086 1.00 0.00 C ATOM 752 CD GLU A 74 -3.408 16.070 -1.688 1.00 0.00 C ATOM 753 OE1 GLU A 74 -4.563 15.690 -1.394 1.00 0.00 O ATOM 754 OE2 GLU A 74 -2.652 16.598 -0.833 1.00 0.00 O ATOM 0 H GLU A 74 -0.655 12.044 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.875 14.707 -1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.085 14.144 -4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.338 13.674 -3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.990 16.408 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.608 16.028 -3.833 1.00 0.00 H new ATOM 761 N ALA A 75 -2.407 13.778 -0.013 1.00 0.00 N ATOM 762 CA ALA A 75 -2.970 13.199 1.195 1.00 0.00 C ATOM 763 C ALA A 75 -4.404 12.671 1.048 1.00 0.00 C ATOM 764 O ALA A 75 -4.783 11.767 1.782 1.00 0.00 O ATOM 765 CB ALA A 75 -2.830 14.216 2.330 1.00 0.00 C ATOM 0 H ALA A 75 -2.350 14.796 0.017 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.400 12.299 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.248 13.799 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.776 14.447 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.367 15.128 2.069 1.00 0.00 H new ATOM 771 N GLU A 76 -5.188 13.151 0.077 1.00 0.00 N ATOM 772 CA GLU A 76 -6.530 12.626 -0.219 1.00 0.00 C ATOM 773 C GLU A 76 -6.545 11.150 -0.581 1.00 0.00 C ATOM 774 O GLU A 76 -7.314 10.363 -0.025 1.00 0.00 O ATOM 775 CB GLU A 76 -7.078 13.388 -1.425 1.00 0.00 C ATOM 776 CG GLU A 76 -7.725 14.690 -0.956 1.00 0.00 C ATOM 777 CD GLU A 76 -9.105 14.435 -0.302 1.00 0.00 C ATOM 778 OE1 GLU A 76 -9.823 13.491 -0.721 1.00 0.00 O ATOM 779 OE2 GLU A 76 -9.481 15.175 0.630 1.00 0.00 O ATOM 0 H GLU A 76 -4.909 13.921 -0.532 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.125 12.753 0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.274 13.602 -2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.809 12.776 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.069 15.187 -0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.842 15.365 -1.804 1.00 0.00 H new ATOM 786 N SER A 77 -5.712 10.800 -1.553 1.00 0.00 N ATOM 787 CA SER A 77 -5.519 9.460 -2.089 1.00 0.00 C ATOM 788 C SER A 77 -5.135 8.464 -1.012 1.00 0.00 C ATOM 789 O SER A 77 -5.717 7.391 -0.885 1.00 0.00 O ATOM 790 CB SER A 77 -4.411 9.516 -3.141 1.00 0.00 C ATOM 791 OG SER A 77 -3.602 10.686 -3.131 1.00 0.00 O ATOM 0 H SER A 77 -5.117 11.487 -2.016 1.00 0.00 H new ATOM 0 HA SER A 77 -6.461 9.126 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.764 8.649 -3.005 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.867 9.422 -4.126 1.00 0.00 H new ATOM 0 HG SER A 77 -3.214 10.808 -2.239 1.00 0.00 H new ATOM 797 N ALA A 78 -4.179 8.863 -0.182 1.00 0.00 N ATOM 798 CA ALA A 78 -3.743 8.084 0.962 1.00 0.00 C ATOM 799 C ALA A 78 -4.798 7.992 2.074 1.00 0.00 C ATOM 800 O ALA A 78 -5.079 6.888 2.529 1.00 0.00 O ATOM 801 CB ALA A 78 -2.440 8.673 1.474 1.00 0.00 C ATOM 0 H ALA A 78 -3.681 9.747 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.589 7.055 0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.095 8.100 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.688 8.632 0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.600 9.710 1.769 1.00 0.00 H new ATOM 807 N ALA A 79 -5.424 9.104 2.484 1.00 0.00 N ATOM 808 CA ALA A 79 -6.480 9.133 3.497 1.00 0.00 C ATOM 809 C ALA A 79 -7.644 8.203 3.140 1.00 0.00 C ATOM 810 O ALA A 79 -8.077 7.386 3.957 1.00 0.00 O ATOM 811 CB ALA A 79 -6.958 10.576 3.703 1.00 0.00 C ATOM 0 H ALA A 79 -5.203 10.027 2.110 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.065 8.761 4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.744 10.595 4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.122 11.192 4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.348 10.968 2.763 1.00 0.00 H new ATOM 817 N LYS A 80 -8.109 8.261 1.878 1.00 0.00 N ATOM 818 CA LYS A 80 -9.122 7.306 1.432 1.00 0.00 C ATOM 819 C LYS A 80 -8.584 5.891 1.318 1.00 0.00 C ATOM 820 O LYS A 80 -9.279 4.981 1.741 1.00 0.00 O ATOM 821 CB LYS A 80 -9.831 7.753 0.145 1.00 0.00 C ATOM 822 CG LYS A 80 -8.999 7.631 -1.129 1.00 0.00 C ATOM 823 CD LYS A 80 -9.714 8.251 -2.351 1.00 0.00 C ATOM 824 CE LYS A 80 -9.403 9.736 -2.639 1.00 0.00 C ATOM 825 NZ LYS A 80 -9.770 10.638 -1.505 1.00 0.00 N ATOM 0 H LYS A 80 -7.808 8.937 1.176 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.878 7.290 2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.739 7.162 0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.139 8.792 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.038 8.124 -0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.791 6.579 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.452 7.668 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.790 8.147 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.340 9.844 -2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.942 10.048 -3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.832 11.618 -1.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.690 10.349 -1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.044 10.575 -0.763 1.00 0.00 H new ATOM 839 N ALA A 81 -7.357 5.693 0.838 1.00 0.00 N ATOM 840 CA ALA A 81 -6.760 4.359 0.785 1.00 0.00 C ATOM 841 C ALA A 81 -6.758 3.715 2.193 1.00 0.00 C ATOM 842 O ALA A 81 -7.209 2.582 2.363 1.00 0.00 O ATOM 843 CB ALA A 81 -5.351 4.406 0.186 1.00 0.00 C ATOM 0 H ALA A 81 -6.758 6.437 0.481 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.367 3.735 0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.933 3.400 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.399 4.805 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.716 5.046 0.799 1.00 0.00 H new ATOM 849 N ILE A 82 -6.346 4.465 3.236 1.00 0.00 N ATOM 850 CA ILE A 82 -6.439 4.051 4.643 1.00 0.00 C ATOM 851 C ILE A 82 -7.871 3.625 4.969 1.00 0.00 C ATOM 852 O ILE A 82 -8.114 2.478 5.348 1.00 0.00 O ATOM 853 CB ILE A 82 -5.971 5.167 5.611 1.00 0.00 C ATOM 854 CG1 ILE A 82 -4.452 5.433 5.561 1.00 0.00 C ATOM 855 CG2 ILE A 82 -6.339 4.884 7.082 1.00 0.00 C ATOM 856 CD1 ILE A 82 -4.168 6.926 5.711 1.00 0.00 C ATOM 0 H ILE A 82 -5.933 5.390 3.117 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.769 3.203 4.783 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.505 6.047 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.953 4.880 6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.044 5.072 4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.984 5.702 7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.421 4.798 7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.872 3.952 7.401 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.092 7.097 5.674 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.651 7.471 4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.558 7.276 6.667 1.00 0.00 H new ATOM 868 N GLU A 83 -8.838 4.524 4.799 1.00 0.00 N ATOM 869 CA GLU A 83 -10.229 4.233 5.161 1.00 0.00 C ATOM 870 C GLU A 83 -10.857 3.082 4.341 1.00 0.00 C ATOM 871 O GLU A 83 -11.734 2.374 4.842 1.00 0.00 O ATOM 872 CB GLU A 83 -11.053 5.522 5.084 1.00 0.00 C ATOM 873 CG GLU A 83 -10.622 6.566 6.136 1.00 0.00 C ATOM 874 CD GLU A 83 -11.132 6.245 7.554 1.00 0.00 C ATOM 875 OE1 GLU A 83 -10.573 5.347 8.222 1.00 0.00 O ATOM 876 OE2 GLU A 83 -12.090 6.905 8.018 1.00 0.00 O ATOM 0 H GLU A 83 -8.688 5.457 4.415 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.235 3.866 6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.954 5.953 4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.107 5.284 5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.534 6.627 6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.991 7.547 5.837 1.00 0.00 H new ATOM 883 N GLU A 84 -10.361 2.823 3.129 1.00 0.00 N ATOM 884 CA GLU A 84 -10.846 1.790 2.203 1.00 0.00 C ATOM 885 C GLU A 84 -10.295 0.391 2.508 1.00 0.00 C ATOM 886 O GLU A 84 -11.007 -0.596 2.308 1.00 0.00 O ATOM 887 CB GLU A 84 -10.414 2.126 0.764 1.00 0.00 C ATOM 888 CG GLU A 84 -11.176 3.273 0.077 1.00 0.00 C ATOM 889 CD GLU A 84 -12.476 2.793 -0.591 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.424 2.383 0.120 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.568 2.836 -1.844 1.00 0.00 O ATOM 0 H GLU A 84 -9.575 3.349 2.747 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.930 1.780 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.353 2.377 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.523 1.229 0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.411 4.042 0.813 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.534 3.735 -0.673 1.00 0.00 H new ATOM 898 N VAL A 85 -9.044 0.281 2.973 1.00 0.00 N ATOM 899 CA VAL A 85 -8.337 -1.016 3.063 1.00 0.00 C ATOM 900 C VAL A 85 -7.334 -1.155 4.223 1.00 0.00 C ATOM 901 O VAL A 85 -6.973 -2.277 4.568 1.00 0.00 O ATOM 902 CB VAL A 85 -7.743 -1.363 1.674 1.00 0.00 C ATOM 903 CG1 VAL A 85 -6.781 -0.302 1.137 1.00 0.00 C ATOM 904 CG2 VAL A 85 -7.069 -2.734 1.598 1.00 0.00 C ATOM 0 H VAL A 85 -8.493 1.076 3.296 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.080 -1.766 3.335 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.627 -1.390 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.405 -0.612 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.306 0.648 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.946 -0.185 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.682 -2.894 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.248 -2.776 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.796 -3.511 1.835 1.00 0.00 H new ATOM 914 N HIS A 86 -6.946 -0.094 4.933 1.00 0.00 N ATOM 915 CA HIS A 86 -6.183 -0.258 6.192 1.00 0.00 C ATOM 916 C HIS A 86 -7.021 -0.996 7.244 1.00 0.00 C ATOM 917 O HIS A 86 -8.087 -0.518 7.639 1.00 0.00 O ATOM 918 CB HIS A 86 -5.746 1.088 6.782 1.00 0.00 C ATOM 919 CG HIS A 86 -4.734 0.961 7.904 1.00 0.00 C ATOM 920 ND1 HIS A 86 -3.425 1.373 7.851 1.00 0.00 N ATOM 921 CD2 HIS A 86 -4.936 0.453 9.158 1.00 0.00 C ATOM 922 CE1 HIS A 86 -2.841 1.102 9.026 1.00 0.00 C ATOM 923 NE2 HIS A 86 -3.727 0.534 9.862 1.00 0.00 N ATOM 0 H HIS A 86 -7.138 0.873 4.673 1.00 0.00 H new ATOM 0 HA HIS A 86 -5.295 -0.838 5.940 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.320 1.702 5.988 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -6.625 1.614 7.155 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.972 1.813 7.050 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.866 0.058 9.539 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.809 1.310 9.266 1.00 0.00 H new ATOM 931 N GLY A 87 -6.543 -2.152 7.704 1.00 0.00 N ATOM 932 CA GLY A 87 -7.130 -2.882 8.835 1.00 0.00 C ATOM 933 C GLY A 87 -8.059 -4.008 8.377 1.00 0.00 C ATOM 934 O GLY A 87 -8.681 -4.682 9.203 1.00 0.00 O ATOM 0 H GLY A 87 -5.729 -2.615 7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.332 -3.299 9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.687 -2.187 9.464 1.00 0.00 H new ATOM 938 N LYS A 88 -8.154 -4.202 7.057 1.00 0.00 N ATOM 939 CA LYS A 88 -8.988 -5.182 6.384 1.00 0.00 C ATOM 940 C LYS A 88 -8.142 -6.403 6.077 1.00 0.00 C ATOM 941 O LYS A 88 -7.029 -6.276 5.582 1.00 0.00 O ATOM 942 CB LYS A 88 -9.446 -4.557 5.066 1.00 0.00 C ATOM 943 CG LYS A 88 -10.626 -3.574 5.164 1.00 0.00 C ATOM 944 CD LYS A 88 -10.321 -2.340 6.026 1.00 0.00 C ATOM 945 CE LYS A 88 -11.155 -1.124 5.621 1.00 0.00 C ATOM 946 NZ LYS A 88 -10.783 0.085 6.412 1.00 0.00 N ATOM 0 H LYS A 88 -7.615 -3.641 6.398 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.841 -5.468 7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.599 -4.035 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.722 -5.359 4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.902 -3.248 4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.489 -4.094 5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.512 -2.576 7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.262 -2.095 5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.014 -0.922 4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.213 -1.343 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.943 0.938 5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.367 0.131 7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.779 0.030 6.678 1.00 0.00 H new ATOM 960 N SER A 89 -8.666 -7.571 6.393 1.00 0.00 N ATOM 961 CA SER A 89 -7.934 -8.845 6.392 1.00 0.00 C ATOM 962 C SER A 89 -7.772 -9.453 4.985 1.00 0.00 C ATOM 963 O SER A 89 -8.680 -10.137 4.501 1.00 0.00 O ATOM 964 CB SER A 89 -8.598 -9.836 7.364 1.00 0.00 C ATOM 965 OG SER A 89 -9.988 -9.982 7.123 1.00 0.00 O ATOM 0 H SER A 89 -9.643 -7.674 6.668 1.00 0.00 H new ATOM 0 HA SER A 89 -6.922 -8.634 6.736 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.113 -10.808 7.275 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.444 -9.495 8.388 1.00 0.00 H new ATOM 0 HG SER A 89 -10.144 -10.092 6.162 1.00 0.00 H new ATOM 971 N PHE A 90 -6.629 -9.229 4.331 1.00 0.00 N ATOM 972 CA PHE A 90 -6.300 -9.934 3.087 1.00 0.00 C ATOM 973 C PHE A 90 -5.428 -11.174 3.366 1.00 0.00 C ATOM 974 O PHE A 90 -4.551 -11.131 4.227 1.00 0.00 O ATOM 975 CB PHE A 90 -5.643 -8.924 2.141 1.00 0.00 C ATOM 976 CG PHE A 90 -5.756 -9.279 0.676 1.00 0.00 C ATOM 977 CD1 PHE A 90 -5.121 -10.419 0.146 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.593 -8.502 -0.151 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.368 -10.816 -1.169 1.00 0.00 C ATOM 980 CE2 PHE A 90 -6.809 -8.875 -1.487 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.220 -10.048 -1.982 1.00 0.00 C ATOM 0 H PHE A 90 -5.917 -8.567 4.640 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.198 -10.325 2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.096 -7.946 2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.588 -8.834 2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.440 -10.989 0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.069 -7.617 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.906 -11.710 -1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.425 -8.263 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.422 -10.363 -2.995 1.00 0.00 H new ATOM 991 N ALA A 91 -5.653 -12.276 2.638 1.00 0.00 N ATOM 992 CA ALA A 91 -4.970 -13.585 2.712 1.00 0.00 C ATOM 993 C ALA A 91 -4.939 -14.287 4.090 1.00 0.00 C ATOM 994 O ALA A 91 -5.440 -15.405 4.226 1.00 0.00 O ATOM 995 CB ALA A 91 -3.562 -13.454 2.104 1.00 0.00 C ATOM 0 H ALA A 91 -6.378 -12.280 1.920 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.591 -14.263 2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.053 -14.416 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.643 -13.141 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.992 -12.711 2.663 1.00 0.00 H new ATOM 1001 N ASN A 92 -4.349 -13.653 5.105 1.00 0.00 N ATOM 1002 CA ASN A 92 -4.193 -14.144 6.477 1.00 0.00 C ATOM 1003 C ASN A 92 -4.126 -13.024 7.551 1.00 0.00 C ATOM 1004 O ASN A 92 -4.172 -13.332 8.742 1.00 0.00 O ATOM 1005 CB ASN A 92 -2.926 -15.027 6.530 1.00 0.00 C ATOM 1006 CG ASN A 92 -1.642 -14.243 6.293 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -1.071 -13.654 7.198 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -1.151 -14.180 5.084 1.00 0.00 N ATOM 0 H ASN A 92 -3.942 -12.726 4.984 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.087 -14.716 6.725 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.872 -15.516 7.502 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.007 -15.815 5.781 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.302 -13.644 4.906 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.617 -14.667 4.318 1.00 0.00 H new ATOM 1015 N GLN A 93 -4.003 -11.744 7.163 1.00 0.00 N ATOM 1016 CA GLN A 93 -3.757 -10.618 8.084 1.00 0.00 C ATOM 1017 C GLN A 93 -4.178 -9.274 7.452 1.00 0.00 C ATOM 1018 O GLN A 93 -4.387 -9.185 6.236 1.00 0.00 O ATOM 1019 CB GLN A 93 -2.268 -10.620 8.510 1.00 0.00 C ATOM 1020 CG GLN A 93 -1.313 -10.213 7.387 1.00 0.00 C ATOM 1021 CD GLN A 93 0.164 -10.341 7.734 1.00 0.00 C ATOM 1022 OE1 GLN A 93 0.836 -9.375 8.079 1.00 0.00 O ATOM 1023 NE2 GLN A 93 0.730 -11.520 7.594 1.00 0.00 N ATOM 0 H GLN A 93 -4.072 -11.456 6.187 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.371 -10.743 8.976 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.138 -9.940 9.352 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.000 -11.616 8.861 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.521 -10.826 6.510 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.519 -9.179 7.109 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.171 -12.323 7.307 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.728 -11.631 7.772 1.00 0.00 H new ATOM 1032 N PRO A 94 -4.328 -8.200 8.238 1.00 0.00 N ATOM 1033 CA PRO A 94 -4.696 -6.911 7.681 1.00 0.00 C ATOM 1034 C PRO A 94 -3.560 -6.169 6.982 1.00 0.00 C ATOM 1035 O PRO A 94 -2.379 -6.284 7.323 1.00 0.00 O ATOM 1036 CB PRO A 94 -5.252 -6.102 8.859 1.00 0.00 C ATOM 1037 CG PRO A 94 -4.513 -6.694 10.053 1.00 0.00 C ATOM 1038 CD PRO A 94 -4.420 -8.169 9.692 1.00 0.00 C ATOM 0 HA PRO A 94 -5.425 -7.055 6.884 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.053 -5.036 8.748 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.332 -6.216 8.954 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -3.528 -6.246 10.182 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.058 -6.539 10.984 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.548 -8.633 10.152 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.295 -8.717 10.043 1.00 0.00 H new ATOM 1046 N LEU A 95 -3.970 -5.357 6.010 1.00 0.00 N ATOM 1047 CA LEU A 95 -3.145 -4.372 5.325 1.00 0.00 C ATOM 1048 C LEU A 95 -2.779 -3.195 6.247 1.00 0.00 C ATOM 1049 O LEU A 95 -3.530 -2.834 7.156 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.931 -3.856 4.116 1.00 0.00 C ATOM 1051 CG LEU A 95 -4.171 -4.806 2.932 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -2.989 -5.708 2.617 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -5.427 -5.623 3.083 1.00 0.00 C ATOM 0 H LEU A 95 -4.930 -5.371 5.665 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.212 -4.843 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.905 -3.521 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.411 -2.977 3.735 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.299 -4.140 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.236 -6.348 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.121 -5.097 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.762 -6.326 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.543 -6.275 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.361 -6.229 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.287 -4.958 3.155 1.00 0.00 H new ATOM 1065 N GLU A 96 -1.655 -2.547 5.942 1.00 0.00 N ATOM 1066 CA GLU A 96 -1.005 -1.514 6.758 1.00 0.00 C ATOM 1067 C GLU A 96 -0.718 -0.274 5.888 1.00 0.00 C ATOM 1068 O GLU A 96 0.381 0.258 5.742 1.00 0.00 O ATOM 1069 CB GLU A 96 0.209 -2.167 7.426 1.00 0.00 C ATOM 1070 CG GLU A 96 0.771 -1.370 8.598 1.00 0.00 C ATOM 1071 CD GLU A 96 1.659 -2.314 9.435 1.00 0.00 C ATOM 1072 OE1 GLU A 96 1.120 -3.145 10.201 1.00 0.00 O ATOM 1073 OE2 GLU A 96 2.896 -2.343 9.251 1.00 0.00 O ATOM 0 H GLU A 96 -1.146 -2.735 5.078 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.635 -1.132 7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.072 -3.160 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.993 -2.301 6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.352 -0.521 8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.038 -0.968 9.208 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.778 0.123 5.196 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.877 1.176 4.174 1.00 0.00 C ATOM 1082 C VAL A 97 -1.771 2.517 4.896 1.00 0.00 C ATOM 1083 O VAL A 97 -2.719 2.853 5.597 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.279 1.001 3.571 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.807 2.102 2.657 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.375 -0.328 2.797 1.00 0.00 C ATOM 0 H VAL A 97 -2.683 -0.324 5.346 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.107 1.128 3.404 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.910 1.034 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.806 1.838 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.851 3.042 3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.142 2.214 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.376 -0.433 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.641 -0.333 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.176 -1.159 3.474 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.659 3.267 4.821 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.460 4.331 5.809 1.00 0.00 C ATOM 1098 C VAL A 98 0.495 5.459 5.363 1.00 0.00 C ATOM 1099 O VAL A 98 0.224 6.171 4.387 1.00 0.00 O ATOM 1100 CB VAL A 98 -0.137 3.560 7.133 1.00 0.00 C ATOM 1101 CG1 VAL A 98 1.295 3.065 7.445 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -0.961 4.186 8.247 1.00 0.00 C ATOM 0 H VAL A 98 0.079 3.164 4.124 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.341 4.955 5.959 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.451 2.528 6.976 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.302 2.556 8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.618 2.373 6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.975 3.916 7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.757 3.669 9.185 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.696 5.239 8.348 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.021 4.100 8.008 1.00 0.00 H new ATOM 1112 N TYR A 99 1.642 5.595 6.026 1.00 0.00 N ATOM 1113 CA TYR A 99 2.766 6.490 5.712 1.00 0.00 C ATOM 1114 C TYR A 99 4.066 5.705 5.390 1.00 0.00 C ATOM 1115 O TYR A 99 5.145 6.274 5.288 1.00 0.00 O ATOM 1116 CB TYR A 99 2.944 7.460 6.891 1.00 0.00 C ATOM 1117 CG TYR A 99 1.693 8.179 7.392 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.631 8.477 6.515 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.585 8.546 8.748 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.539 9.100 6.979 1.00 0.00 C ATOM 1121 CE2 TYR A 99 0.429 9.201 9.214 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.642 9.475 8.335 1.00 0.00 C ATOM 1123 OH TYR A 99 -1.762 10.107 8.784 1.00 0.00 O ATOM 0 H TYR A 99 1.829 5.042 6.862 1.00 0.00 H new ATOM 0 HA TYR A 99 2.545 7.056 4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.372 6.904 7.725 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.675 8.215 6.602 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.718 8.222 5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.391 8.324 9.432 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.357 9.291 6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.361 9.496 10.251 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.671 10.294 9.742 1.00 0.00 H new ATOM 1133 N SER A 100 3.930 4.391 5.211 1.00 0.00 N ATOM 1134 CA SER A 100 4.883 3.285 4.974 1.00 0.00 C ATOM 1135 C SER A 100 6.404 3.515 4.890 1.00 0.00 C ATOM 1136 O SER A 100 7.142 2.830 5.603 1.00 0.00 O ATOM 1137 CB SER A 100 4.453 2.491 3.760 1.00 0.00 C ATOM 1138 OG SER A 100 3.116 2.149 4.012 1.00 0.00 O ATOM 0 H SER A 100 2.985 4.007 5.232 1.00 0.00 H new ATOM 0 HA SER A 100 4.802 2.773 5.933 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.545 3.081 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.071 1.603 3.629 1.00 0.00 H new ATOM 0 HG SER A 100 2.552 2.946 3.925 1.00 0.00 H new