USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 744 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 70 ASN : amide:sc= -0.691! C(o=0.13!,f=-2.6!) USER MOD Set 1.2: A 76 TYR OH : rot 68:sc= 0.818 USER MOD Set 2.1: A 8 TYR OH : rot -147:sc= 0.58 USER MOD Set 2.2: A 50 SER OG : rot -37:sc= -0.876! USER MOD Set 3.1: A 6 TYR OH : rot -73:sc= 0.00423 USER MOD Set 3.2: A 40 TYR OH : rot 115:sc= -0.816! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.62 (180deg=1.19) USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= -0.0118 (180deg=-0.209) USER MOD Single : A 7 SER OG : rot 43:sc=-0.00405 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -142:sc= -7.07! (180deg=-9.14!) USER MOD Single : A 18 GLN : amide:sc= -1.86! C(o=-1.9!,f=-2.9!) USER MOD Single : A 19 SER OG : rot -14:sc= -2.18! USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.227) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 13:sc= 1.05 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -65:sc= 0.514 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0164 X(o=-0.016,f=0.055) USER MOD Single : A 39 TYR OH : rot 70:sc= 0.519 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.0054) USER MOD Single : A 49 ASN : amide:sc= -1.66 K(o=-1.7,f=-5.7!) USER MOD Single : A 53 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.2) USER MOD Single : A 54 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.72) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.76! K(o=-1.8!,f=-2.5) USER MOD Single : A 60 CYS SG : rot 88:sc= -2.65! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -0.0146 (180deg=-0.221) USER MOD Single : A 75 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.83) USER MOD Single : A 78 THR OG1 : rot -64:sc= 0.0297 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -166:sc= 0 (180deg=-0.0433) USER MOD Single : A 89 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.9!) USER MOD Single : A 91 SER OG : rot 98:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.345 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.115 0.000 -1.232 1.00 1.00 C ATOM 3 C MET A 1 3.425 -0.758 -1.010 1.00 1.00 C ATOM 4 O MET A 1 3.860 -0.857 0.147 1.00 1.00 O ATOM 5 CB MET A 1 2.422 1.434 -1.668 1.00 1.00 C ATOM 6 CG MET A 1 1.158 2.139 -2.164 1.00 1.00 C ATOM 7 SD MET A 1 1.518 3.885 -2.517 1.00 1.00 S ATOM 8 CE MET A 1 0.779 4.031 -4.170 1.00 1.00 C ATOM 0 H1 MET A 1 0.357 0.248 -0.208 1.00 1.00 H new ATOM 0 H2 MET A 1 1.381 -0.945 0.432 1.00 1.00 H new ATOM 0 H3 MET A 1 1.745 0.697 0.660 1.00 1.00 H new ATOM 0 HA MET A 1 1.533 -0.488 -2.014 1.00 1.00 H new ATOM 0 HB2 MET A 1 2.848 1.989 -0.832 1.00 1.00 H new ATOM 0 HB3 MET A 1 3.172 1.425 -2.459 1.00 1.00 H new ATOM 0 HG2 MET A 1 0.786 1.647 -3.063 1.00 1.00 H new ATOM 0 HG3 MET A 1 0.372 2.066 -1.412 1.00 1.00 H new ATOM 0 HE1 MET A 1 0.911 5.048 -4.539 1.00 1.00 H new ATOM 0 HE2 MET A 1 1.267 3.332 -4.850 1.00 1.00 H new ATOM 0 HE3 MET A 1 -0.285 3.801 -4.115 1.00 1.00 H new ATOM 18 N VAL A 2 4.018 -1.270 -2.103 1.00 1.00 N ATOM 19 CA VAL A 2 5.266 -2.010 -2.027 1.00 1.00 C ATOM 20 C VAL A 2 4.964 -3.480 -1.726 1.00 1.00 C ATOM 21 O VAL A 2 5.768 -4.339 -2.116 1.00 1.00 O ATOM 22 CB VAL A 2 6.195 -1.367 -0.995 1.00 1.00 C ATOM 23 CG1 VAL A 2 7.593 -1.985 -1.055 1.00 1.00 C ATOM 24 CG2 VAL A 2 6.257 0.150 -1.185 1.00 1.00 C ATOM 0 H VAL A 2 3.643 -1.178 -3.047 1.00 1.00 H new ATOM 0 HA VAL A 2 5.790 -1.974 -2.982 1.00 1.00 H new ATOM 0 HB VAL A 2 5.784 -1.565 -0.005 1.00 1.00 H new ATOM 0 HG11 VAL A 2 8.233 -1.510 -0.311 1.00 1.00 H new ATOM 0 HG12 VAL A 2 7.528 -3.053 -0.848 1.00 1.00 H new ATOM 0 HG13 VAL A 2 8.016 -1.833 -2.048 1.00 1.00 H new ATOM 0 HG21 VAL A 2 6.924 0.583 -0.439 1.00 1.00 H new ATOM 0 HG22 VAL A 2 6.632 0.377 -2.183 1.00 1.00 H new ATOM 0 HG23 VAL A 2 5.259 0.572 -1.068 1.00 1.00 H new ATOM 34 N LYS A 3 3.831 -3.735 -1.048 1.00 1.00 N ATOM 35 CA LYS A 3 3.430 -5.087 -0.700 1.00 1.00 C ATOM 36 C LYS A 3 4.673 -5.975 -0.606 1.00 1.00 C ATOM 37 O LYS A 3 4.760 -6.949 -1.367 1.00 1.00 O ATOM 38 CB LYS A 3 2.378 -5.605 -1.682 1.00 1.00 C ATOM 39 CG LYS A 3 1.273 -6.369 -0.951 1.00 1.00 C ATOM 40 CD LYS A 3 0.361 -5.411 -0.181 1.00 1.00 C ATOM 41 CE LYS A 3 -0.812 -4.953 -1.051 1.00 1.00 C ATOM 42 NZ LYS A 3 -1.788 -6.042 -1.214 1.00 1.00 N ATOM 0 H LYS A 3 3.183 -3.012 -0.735 1.00 1.00 H new ATOM 0 HA LYS A 3 2.952 -5.101 0.279 1.00 1.00 H new ATOM 0 HB2 LYS A 3 1.945 -4.769 -2.231 1.00 1.00 H new ATOM 0 HB3 LYS A 3 2.851 -6.257 -2.416 1.00 1.00 H new ATOM 0 HG2 LYS A 3 0.684 -6.939 -1.669 1.00 1.00 H new ATOM 0 HG3 LYS A 3 1.717 -7.087 -0.262 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -0.017 -5.904 0.715 1.00 1.00 H new ATOM 0 HD3 LYS A 3 0.934 -4.544 0.149 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -1.295 -4.089 -0.595 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.446 -4.635 -2.027 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -2.697 -5.649 -1.532 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -1.437 -6.719 -1.921 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -1.921 -6.528 -0.304 1.00 1.00 H new ATOM 56 N PRO A 4 5.594 -5.627 0.311 1.00 1.00 N ATOM 57 CA PRO A 4 6.828 -6.362 0.527 1.00 1.00 C ATOM 58 C PRO A 4 6.564 -7.667 1.280 1.00 1.00 C ATOM 59 O PRO A 4 5.573 -7.729 2.023 1.00 1.00 O ATOM 60 CB PRO A 4 7.727 -5.405 1.294 1.00 1.00 C ATOM 61 CG PRO A 4 6.805 -4.349 1.882 1.00 1.00 C ATOM 62 CD PRO A 4 5.457 -4.470 1.192 1.00 1.00 C ATOM 0 HA PRO A 4 7.301 -6.672 -0.405 1.00 1.00 H new ATOM 0 HB2 PRO A 4 8.274 -5.927 2.079 1.00 1.00 H new ATOM 0 HB3 PRO A 4 8.469 -4.953 0.635 1.00 1.00 H new ATOM 0 HG2 PRO A 4 6.698 -4.492 2.957 1.00 1.00 H new ATOM 0 HG3 PRO A 4 7.222 -3.353 1.733 1.00 1.00 H new ATOM 0 HD2 PRO A 4 4.654 -4.615 1.915 1.00 1.00 H new ATOM 0 HD3 PRO A 4 5.219 -3.568 0.628 1.00 1.00 H new ATOM 70 N PRO A 5 7.439 -8.667 1.077 1.00 1.00 N ATOM 71 CA PRO A 5 7.333 -9.969 1.715 1.00 1.00 C ATOM 72 C PRO A 5 7.749 -9.895 3.185 1.00 1.00 C ATOM 73 O PRO A 5 8.691 -9.149 3.494 1.00 1.00 O ATOM 74 CB PRO A 5 8.223 -10.885 0.891 1.00 1.00 C ATOM 75 CG PRO A 5 9.153 -9.970 0.110 1.00 1.00 C ATOM 76 CD PRO A 5 8.596 -8.559 0.193 1.00 1.00 C ATOM 0 HA PRO A 5 6.310 -10.344 1.737 1.00 1.00 H new ATOM 0 HB2 PRO A 5 8.788 -11.561 1.533 1.00 1.00 H new ATOM 0 HB3 PRO A 5 7.630 -11.505 0.219 1.00 1.00 H new ATOM 0 HG2 PRO A 5 10.161 -10.007 0.523 1.00 1.00 H new ATOM 0 HG3 PRO A 5 9.222 -10.293 -0.929 1.00 1.00 H new ATOM 0 HD2 PRO A 5 9.335 -7.865 0.592 1.00 1.00 H new ATOM 0 HD3 PRO A 5 8.309 -8.188 -0.791 1.00 1.00 H new ATOM 84 N TYR A 6 7.053 -10.656 4.048 1.00 1.00 N ATOM 85 CA TYR A 6 7.396 -10.628 5.459 1.00 1.00 C ATOM 86 C TYR A 6 8.347 -11.785 5.772 1.00 1.00 C ATOM 87 O TYR A 6 7.851 -12.883 6.063 1.00 1.00 O ATOM 88 CB TYR A 6 6.118 -10.688 6.316 1.00 1.00 C ATOM 89 CG TYR A 6 5.843 -9.430 7.128 1.00 1.00 C ATOM 90 CD1 TYR A 6 5.508 -8.219 6.481 1.00 1.00 C ATOM 91 CD2 TYR A 6 5.928 -9.467 8.539 1.00 1.00 C ATOM 92 CE1 TYR A 6 5.257 -7.055 7.238 1.00 1.00 C ATOM 93 CE2 TYR A 6 5.676 -8.303 9.297 1.00 1.00 C ATOM 94 CZ TYR A 6 5.340 -7.096 8.647 1.00 1.00 C ATOM 95 OH TYR A 6 5.097 -5.972 9.384 1.00 1.00 O ATOM 0 H TYR A 6 6.280 -11.272 3.796 1.00 1.00 H new ATOM 0 HA TYR A 6 7.905 -9.695 5.700 1.00 1.00 H new ATOM 0 HB2 TYR A 6 5.266 -10.877 5.663 1.00 1.00 H new ATOM 0 HB3 TYR A 6 6.192 -11.536 6.997 1.00 1.00 H new ATOM 0 HD1 TYR A 6 5.444 -8.184 5.403 1.00 1.00 H new ATOM 0 HD2 TYR A 6 6.187 -10.389 9.039 1.00 1.00 H new ATOM 0 HE1 TYR A 6 5.001 -6.132 6.739 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.740 -8.336 10.375 1.00 1.00 H new ATOM 0 HH TYR A 6 5.851 -5.352 9.293 1.00 1.00 H new ATOM 105 N SER A 7 9.665 -11.528 5.699 1.00 1.00 N ATOM 106 CA SER A 7 10.664 -12.550 5.965 1.00 1.00 C ATOM 107 C SER A 7 11.845 -11.921 6.706 1.00 1.00 C ATOM 108 O SER A 7 12.500 -11.039 6.131 1.00 1.00 O ATOM 109 CB SER A 7 11.142 -13.215 4.673 1.00 1.00 C ATOM 110 OG SER A 7 11.256 -12.282 3.602 1.00 1.00 O ATOM 0 H SER A 7 10.053 -10.616 5.457 1.00 1.00 H new ATOM 0 HA SER A 7 10.211 -13.324 6.584 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.108 -13.689 4.845 1.00 1.00 H new ATOM 0 HB3 SER A 7 10.445 -14.005 4.393 1.00 1.00 H new ATOM 0 HG SER A 7 11.671 -11.457 3.930 1.00 1.00 H new ATOM 116 N TYR A 8 12.091 -12.379 7.946 1.00 1.00 N ATOM 117 CA TYR A 8 13.196 -11.820 8.705 1.00 1.00 C ATOM 118 C TYR A 8 14.501 -12.489 8.267 1.00 1.00 C ATOM 119 O TYR A 8 15.327 -11.804 7.646 1.00 1.00 O ATOM 120 CB TYR A 8 12.943 -11.991 10.214 1.00 1.00 C ATOM 121 CG TYR A 8 12.512 -10.719 10.931 1.00 1.00 C ATOM 122 CD1 TYR A 8 11.356 -10.019 10.514 1.00 1.00 C ATOM 123 CD2 TYR A 8 13.273 -10.226 12.016 1.00 1.00 C ATOM 124 CE1 TYR A 8 10.962 -8.839 11.179 1.00 1.00 C ATOM 125 CE2 TYR A 8 12.879 -9.046 12.681 1.00 1.00 C ATOM 126 CZ TYR A 8 11.724 -8.351 12.264 1.00 1.00 C ATOM 127 OH TYR A 8 11.345 -7.209 12.912 1.00 1.00 O ATOM 0 H TYR A 8 11.556 -13.107 8.420 1.00 1.00 H new ATOM 0 HA TYR A 8 13.279 -10.751 8.509 1.00 1.00 H new ATOM 0 HB2 TYR A 8 12.175 -12.751 10.357 1.00 1.00 H new ATOM 0 HB3 TYR A 8 13.853 -12.366 10.682 1.00 1.00 H new ATOM 0 HD1 TYR A 8 10.773 -10.389 9.684 1.00 1.00 H new ATOM 0 HD2 TYR A 8 14.159 -10.755 12.337 1.00 1.00 H new ATOM 0 HE1 TYR A 8 10.078 -8.308 10.859 1.00 1.00 H new ATOM 0 HE2 TYR A 8 13.462 -8.674 13.510 1.00 1.00 H new ATOM 0 HH TYR A 8 12.141 -6.732 13.226 1.00 1.00 H new ATOM 137 N ILE A 9 14.664 -13.783 8.597 1.00 1.00 N ATOM 138 CA ILE A 9 15.864 -14.522 8.244 1.00 1.00 C ATOM 139 C ILE A 9 16.322 -14.105 6.845 1.00 1.00 C ATOM 140 O ILE A 9 17.531 -13.909 6.655 1.00 1.00 O ATOM 141 CB ILE A 9 15.629 -16.027 8.391 1.00 1.00 C ATOM 142 CG1 ILE A 9 14.731 -16.553 7.270 1.00 1.00 C ATOM 143 CG2 ILE A 9 15.072 -16.362 9.776 1.00 1.00 C ATOM 144 CD1 ILE A 9 13.279 -16.118 7.480 1.00 1.00 C ATOM 0 H ILE A 9 13.971 -14.329 9.109 1.00 1.00 H new ATOM 0 HA ILE A 9 16.676 -14.281 8.930 1.00 1.00 H new ATOM 0 HB ILE A 9 16.590 -16.534 8.299 1.00 1.00 H new ATOM 0 HG12 ILE A 9 15.089 -16.184 6.309 1.00 1.00 H new ATOM 0 HG13 ILE A 9 14.787 -17.641 7.235 1.00 1.00 H new ATOM 0 HG21 ILE A 9 14.914 -17.438 9.854 1.00 1.00 H new ATOM 0 HG22 ILE A 9 15.781 -16.043 10.540 1.00 1.00 H new ATOM 0 HG23 ILE A 9 14.124 -15.845 9.922 1.00 1.00 H new ATOM 0 HD11 ILE A 9 12.662 -16.505 6.669 1.00 1.00 H new ATOM 0 HD12 ILE A 9 12.916 -16.509 8.431 1.00 1.00 H new ATOM 0 HD13 ILE A 9 13.223 -15.029 7.490 1.00 1.00 H new ATOM 156 N ALA A 10 15.363 -13.979 5.910 1.00 1.00 N ATOM 157 CA ALA A 10 15.667 -13.589 4.544 1.00 1.00 C ATOM 158 C ALA A 10 16.132 -12.132 4.525 1.00 1.00 C ATOM 159 O ALA A 10 17.075 -11.823 3.783 1.00 1.00 O ATOM 160 CB ALA A 10 14.393 -13.644 3.698 1.00 1.00 C ATOM 0 H ALA A 10 14.372 -14.145 6.088 1.00 1.00 H new ATOM 0 HA ALA A 10 16.432 -14.261 4.155 1.00 1.00 H new ATOM 0 HB1 ALA A 10 14.623 -13.351 2.674 1.00 1.00 H new ATOM 0 HB2 ALA A 10 13.996 -14.659 3.704 1.00 1.00 H new ATOM 0 HB3 ALA A 10 13.651 -12.961 4.112 1.00 1.00 H new ATOM 166 N LEU A 11 15.471 -11.279 5.329 1.00 1.00 N ATOM 167 CA LEU A 11 15.814 -9.869 5.404 1.00 1.00 C ATOM 168 C LEU A 11 17.297 -9.727 5.751 1.00 1.00 C ATOM 169 O LEU A 11 17.915 -8.746 5.312 1.00 1.00 O ATOM 170 CB LEU A 11 14.883 -9.142 6.376 1.00 1.00 C ATOM 171 CG LEU A 11 14.122 -7.943 5.805 1.00 1.00 C ATOM 172 CD1 LEU A 11 12.627 -8.045 6.115 1.00 1.00 C ATOM 173 CD2 LEU A 11 14.721 -6.626 6.302 1.00 1.00 C ATOM 0 H LEU A 11 14.696 -11.554 5.933 1.00 1.00 H new ATOM 0 HA LEU A 11 15.665 -9.389 4.437 1.00 1.00 H new ATOM 0 HB2 LEU A 11 14.157 -9.860 6.758 1.00 1.00 H new ATOM 0 HB3 LEU A 11 15.473 -8.801 7.227 1.00 1.00 H new ATOM 0 HG LEU A 11 14.228 -7.956 4.720 1.00 1.00 H new ATOM 0 HD11 LEU A 11 12.109 -7.181 5.698 1.00 1.00 H new ATOM 0 HD12 LEU A 11 12.225 -8.957 5.673 1.00 1.00 H new ATOM 0 HD13 LEU A 11 12.480 -8.070 7.195 1.00 1.00 H new ATOM 0 HD21 LEU A 11 14.162 -5.790 5.881 1.00 1.00 H new ATOM 0 HD22 LEU A 11 14.666 -6.589 7.390 1.00 1.00 H new ATOM 0 HD23 LEU A 11 15.763 -6.559 5.989 1.00 1.00 H new ATOM 185 N ILE A 12 17.831 -10.694 6.519 1.00 1.00 N ATOM 186 CA ILE A 12 19.227 -10.677 6.920 1.00 1.00 C ATOM 187 C ILE A 12 20.085 -11.243 5.787 1.00 1.00 C ATOM 188 O ILE A 12 21.101 -10.619 5.447 1.00 1.00 O ATOM 189 CB ILE A 12 19.412 -11.403 8.253 1.00 1.00 C ATOM 190 CG1 ILE A 12 18.321 -11.005 9.250 1.00 1.00 C ATOM 191 CG2 ILE A 12 20.815 -11.170 8.816 1.00 1.00 C ATOM 192 CD1 ILE A 12 18.429 -9.524 9.618 1.00 1.00 C ATOM 0 H ILE A 12 17.305 -11.495 6.869 1.00 1.00 H new ATOM 0 HA ILE A 12 19.561 -9.654 7.093 1.00 1.00 H new ATOM 0 HB ILE A 12 19.311 -12.474 8.075 1.00 1.00 H new ATOM 0 HG12 ILE A 12 17.340 -11.206 8.820 1.00 1.00 H new ATOM 0 HG13 ILE A 12 18.406 -11.614 10.150 1.00 1.00 H new ATOM 0 HG21 ILE A 12 20.919 -11.698 9.764 1.00 1.00 H new ATOM 0 HG22 ILE A 12 21.557 -11.543 8.110 1.00 1.00 H new ATOM 0 HG23 ILE A 12 20.970 -10.103 8.976 1.00 1.00 H new ATOM 0 HD11 ILE A 12 17.642 -9.267 10.328 1.00 1.00 H new ATOM 0 HD12 ILE A 12 19.402 -9.331 10.070 1.00 1.00 H new ATOM 0 HD13 ILE A 12 18.319 -8.917 8.719 1.00 1.00 H new ATOM 204 N THR A 13 19.668 -12.396 5.234 1.00 1.00 N ATOM 205 CA THR A 13 20.393 -13.038 4.151 1.00 1.00 C ATOM 206 C THR A 13 20.787 -11.985 3.113 1.00 1.00 C ATOM 207 O THR A 13 21.894 -12.083 2.564 1.00 1.00 O ATOM 208 CB THR A 13 19.524 -14.160 3.578 1.00 1.00 C ATOM 209 OG1 THR A 13 19.746 -15.256 4.462 1.00 1.00 O ATOM 210 CG2 THR A 13 20.033 -14.662 2.226 1.00 1.00 C ATOM 0 H THR A 13 18.828 -12.895 5.529 1.00 1.00 H new ATOM 0 HA THR A 13 21.319 -13.492 4.503 1.00 1.00 H new ATOM 0 HB THR A 13 18.498 -13.807 3.471 1.00 1.00 H new ATOM 0 HG1 THR A 13 19.219 -16.027 4.166 1.00 1.00 H new ATOM 0 HG21 THR A 13 19.381 -15.457 1.864 1.00 1.00 H new ATOM 0 HG22 THR A 13 20.035 -13.840 1.510 1.00 1.00 H new ATOM 0 HG23 THR A 13 21.046 -15.047 2.339 1.00 1.00 H new ATOM 218 N MET A 14 19.889 -11.014 2.869 1.00 1.00 N ATOM 219 CA MET A 14 20.142 -9.956 1.906 1.00 1.00 C ATOM 220 C MET A 14 20.968 -8.854 2.572 1.00 1.00 C ATOM 221 O MET A 14 21.698 -8.151 1.857 1.00 1.00 O ATOM 222 CB MET A 14 18.822 -9.369 1.401 1.00 1.00 C ATOM 223 CG MET A 14 17.934 -8.932 2.567 1.00 1.00 C ATOM 224 SD MET A 14 16.591 -7.869 1.961 1.00 1.00 S ATOM 225 CE MET A 14 16.339 -6.816 3.421 1.00 1.00 C ATOM 0 H MET A 14 18.983 -10.950 3.333 1.00 1.00 H new ATOM 0 HA MET A 14 20.689 -10.370 1.059 1.00 1.00 H new ATOM 0 HB2 MET A 14 19.024 -8.516 0.753 1.00 1.00 H new ATOM 0 HB3 MET A 14 18.298 -10.110 0.798 1.00 1.00 H new ATOM 0 HG2 MET A 14 17.519 -9.807 3.067 1.00 1.00 H new ATOM 0 HG3 MET A 14 18.528 -8.395 3.306 1.00 1.00 H new ATOM 0 HE1 MET A 14 15.275 -6.618 3.547 1.00 1.00 H new ATOM 0 HE2 MET A 14 16.721 -7.324 4.306 1.00 1.00 H new ATOM 0 HE3 MET A 14 16.870 -5.874 3.286 1.00 1.00 H new ATOM 235 N ALA A 15 20.841 -8.727 3.905 1.00 1.00 N ATOM 236 CA ALA A 15 21.571 -7.720 4.656 1.00 1.00 C ATOM 237 C ALA A 15 23.022 -8.173 4.830 1.00 1.00 C ATOM 238 O ALA A 15 23.889 -7.310 5.030 1.00 1.00 O ATOM 239 CB ALA A 15 20.986 -7.604 6.065 1.00 1.00 C ATOM 0 H ALA A 15 20.235 -9.317 4.475 1.00 1.00 H new ATOM 0 HA ALA A 15 21.505 -6.773 4.119 1.00 1.00 H new ATOM 0 HB1 ALA A 15 21.535 -6.848 6.626 1.00 1.00 H new ATOM 0 HB2 ALA A 15 19.937 -7.317 6.001 1.00 1.00 H new ATOM 0 HB3 ALA A 15 21.069 -8.565 6.574 1.00 1.00 H new ATOM 245 N ILE A 16 23.254 -9.495 4.751 1.00 1.00 N ATOM 246 CA ILE A 16 24.587 -10.053 4.899 1.00 1.00 C ATOM 247 C ILE A 16 25.331 -9.947 3.566 1.00 1.00 C ATOM 248 O ILE A 16 26.471 -9.460 3.563 1.00 1.00 O ATOM 249 CB ILE A 16 24.514 -11.479 5.449 1.00 1.00 C ATOM 250 CG1 ILE A 16 25.910 -12.093 5.570 1.00 1.00 C ATOM 251 CG2 ILE A 16 23.577 -12.345 4.605 1.00 1.00 C ATOM 252 CD1 ILE A 16 26.835 -11.194 6.393 1.00 1.00 C ATOM 0 H ILE A 16 22.526 -10.189 4.585 1.00 1.00 H new ATOM 0 HA ILE A 16 25.159 -9.482 5.631 1.00 1.00 H new ATOM 0 HB ILE A 16 24.094 -11.436 6.454 1.00 1.00 H new ATOM 0 HG12 ILE A 16 25.840 -13.075 6.038 1.00 1.00 H new ATOM 0 HG13 ILE A 16 26.332 -12.243 4.576 1.00 1.00 H new ATOM 0 HG21 ILE A 16 23.543 -13.353 5.018 1.00 1.00 H new ATOM 0 HG22 ILE A 16 22.576 -11.915 4.616 1.00 1.00 H new ATOM 0 HG23 ILE A 16 23.944 -12.385 3.579 1.00 1.00 H new ATOM 0 HD11 ILE A 16 27.821 -11.654 6.464 1.00 1.00 H new ATOM 0 HD12 ILE A 16 26.922 -10.221 5.909 1.00 1.00 H new ATOM 0 HD13 ILE A 16 26.422 -11.066 7.394 1.00 1.00 H new ATOM 264 N LEU A 17 24.682 -10.397 2.477 1.00 1.00 N ATOM 265 CA LEU A 17 25.278 -10.352 1.152 1.00 1.00 C ATOM 266 C LEU A 17 25.760 -8.929 0.862 1.00 1.00 C ATOM 267 O LEU A 17 26.706 -8.776 0.076 1.00 1.00 O ATOM 268 CB LEU A 17 24.301 -10.895 0.107 1.00 1.00 C ATOM 269 CG LEU A 17 23.796 -9.887 -0.927 1.00 1.00 C ATOM 270 CD1 LEU A 17 24.778 -9.760 -2.093 1.00 1.00 C ATOM 271 CD2 LEU A 17 22.387 -10.247 -1.401 1.00 1.00 C ATOM 0 H LEU A 17 23.743 -10.795 2.501 1.00 1.00 H new ATOM 0 HA LEU A 17 26.153 -11.001 1.105 1.00 1.00 H new ATOM 0 HB2 LEU A 17 24.785 -11.716 -0.422 1.00 1.00 H new ATOM 0 HB3 LEU A 17 23.440 -11.314 0.627 1.00 1.00 H new ATOM 0 HG LEU A 17 23.735 -8.909 -0.449 1.00 1.00 H new ATOM 0 HD11 LEU A 17 24.395 -9.037 -2.814 1.00 1.00 H new ATOM 0 HD12 LEU A 17 25.745 -9.423 -1.719 1.00 1.00 H new ATOM 0 HD13 LEU A 17 24.894 -10.729 -2.578 1.00 1.00 H new ATOM 0 HD21 LEU A 17 22.052 -9.515 -2.135 1.00 1.00 H new ATOM 0 HD22 LEU A 17 22.398 -11.238 -1.855 1.00 1.00 H new ATOM 0 HD23 LEU A 17 21.706 -10.246 -0.550 1.00 1.00 H new ATOM 283 N GLN A 18 25.111 -7.934 1.493 1.00 1.00 N ATOM 284 CA GLN A 18 25.472 -6.539 1.304 1.00 1.00 C ATOM 285 C GLN A 18 26.996 -6.409 1.282 1.00 1.00 C ATOM 286 O GLN A 18 27.504 -5.545 0.552 1.00 1.00 O ATOM 287 CB GLN A 18 24.861 -5.648 2.388 1.00 1.00 C ATOM 288 CG GLN A 18 23.567 -4.997 1.897 1.00 1.00 C ATOM 289 CD GLN A 18 23.836 -3.598 1.338 1.00 1.00 C ATOM 290 OE1 GLN A 18 23.588 -2.588 1.976 1.00 1.00 O ATOM 291 NE2 GLN A 18 24.353 -3.596 0.113 1.00 1.00 N ATOM 0 H GLN A 18 24.334 -8.082 2.137 1.00 1.00 H new ATOM 0 HA GLN A 18 25.068 -6.200 0.350 1.00 1.00 H new ATOM 0 HB2 GLN A 18 24.658 -6.241 3.280 1.00 1.00 H new ATOM 0 HB3 GLN A 18 25.575 -4.876 2.674 1.00 1.00 H new ATOM 0 HG2 GLN A 18 23.112 -5.619 1.126 1.00 1.00 H new ATOM 0 HG3 GLN A 18 22.853 -4.934 2.718 1.00 1.00 H new ATOM 0 HE21 GLN A 18 24.536 -4.478 -0.365 1.00 1.00 H new ATOM 0 HE22 GLN A 18 24.567 -2.712 -0.349 1.00 1.00 H new ATOM 300 N SER A 19 27.684 -7.256 2.068 1.00 1.00 N ATOM 301 CA SER A 19 29.135 -7.235 2.138 1.00 1.00 C ATOM 302 C SER A 19 29.698 -8.387 1.303 1.00 1.00 C ATOM 303 O SER A 19 29.505 -9.548 1.693 1.00 1.00 O ATOM 304 CB SER A 19 29.628 -7.337 3.582 1.00 1.00 C ATOM 305 OG SER A 19 29.711 -8.689 4.025 1.00 1.00 O ATOM 0 H SER A 19 27.246 -7.961 2.661 1.00 1.00 H new ATOM 0 HA SER A 19 29.487 -6.284 1.738 1.00 1.00 H new ATOM 0 HB2 SER A 19 30.609 -6.868 3.664 1.00 1.00 H new ATOM 0 HB3 SER A 19 28.954 -6.783 4.235 1.00 1.00 H new ATOM 0 HG SER A 19 29.229 -9.269 3.399 1.00 1.00 H new ATOM 311 N PRO A 20 30.372 -8.051 0.188 1.00 1.00 N ATOM 312 CA PRO A 20 30.968 -9.022 -0.713 1.00 1.00 C ATOM 313 C PRO A 20 32.245 -9.614 -0.114 1.00 1.00 C ATOM 314 O PRO A 20 32.875 -10.450 -0.778 1.00 1.00 O ATOM 315 CB PRO A 20 31.216 -8.260 -2.004 1.00 1.00 C ATOM 316 CG PRO A 20 31.182 -6.786 -1.632 1.00 1.00 C ATOM 317 CD PRO A 20 30.579 -6.671 -0.242 1.00 1.00 C ATOM 0 HA PRO A 20 30.322 -9.882 -0.891 1.00 1.00 H new ATOM 0 HB2 PRO A 20 32.178 -8.531 -2.439 1.00 1.00 H new ATOM 0 HB3 PRO A 20 30.454 -8.493 -2.747 1.00 1.00 H new ATOM 0 HG2 PRO A 20 32.187 -6.365 -1.648 1.00 1.00 H new ATOM 0 HG3 PRO A 20 30.589 -6.224 -2.353 1.00 1.00 H new ATOM 0 HD2 PRO A 20 31.247 -6.141 0.437 1.00 1.00 H new ATOM 0 HD3 PRO A 20 29.640 -6.118 -0.262 1.00 1.00 H new ATOM 325 N GLN A 21 32.595 -9.178 1.109 1.00 1.00 N ATOM 326 CA GLN A 21 33.785 -9.662 1.788 1.00 1.00 C ATOM 327 C GLN A 21 33.382 -10.314 3.112 1.00 1.00 C ATOM 328 O GLN A 21 33.218 -11.543 3.138 1.00 1.00 O ATOM 329 CB GLN A 21 34.797 -8.538 2.018 1.00 1.00 C ATOM 330 CG GLN A 21 35.992 -8.675 1.071 1.00 1.00 C ATOM 331 CD GLN A 21 36.101 -7.461 0.147 1.00 1.00 C ATOM 332 OE1 GLN A 21 36.996 -6.639 0.260 1.00 1.00 O ATOM 333 NE2 GLN A 21 35.142 -7.393 -0.773 1.00 1.00 N ATOM 0 H GLN A 21 32.061 -8.489 1.639 1.00 1.00 H new ATOM 0 HA GLN A 21 34.271 -10.403 1.154 1.00 1.00 H new ATOM 0 HB2 GLN A 21 34.315 -7.573 1.864 1.00 1.00 H new ATOM 0 HB3 GLN A 21 35.143 -8.561 3.051 1.00 1.00 H new ATOM 0 HG2 GLN A 21 36.909 -8.779 1.650 1.00 1.00 H new ATOM 0 HG3 GLN A 21 35.886 -9.582 0.475 1.00 1.00 H new ATOM 0 HE21 GLN A 21 34.422 -8.114 -0.813 1.00 1.00 H new ATOM 0 HE22 GLN A 21 35.127 -6.620 -1.438 1.00 1.00 H new ATOM 342 N LYS A 22 33.231 -9.494 4.167 1.00 1.00 N ATOM 343 CA LYS A 22 32.851 -9.989 5.479 1.00 1.00 C ATOM 344 C LYS A 22 32.750 -8.813 6.453 1.00 1.00 C ATOM 345 O LYS A 22 33.220 -8.949 7.593 1.00 1.00 O ATOM 346 CB LYS A 22 33.814 -11.086 5.938 1.00 1.00 C ATOM 347 CG LYS A 22 33.056 -12.363 6.305 1.00 1.00 C ATOM 348 CD LYS A 22 33.747 -13.597 5.722 1.00 1.00 C ATOM 349 CE LYS A 22 33.932 -14.677 6.790 1.00 1.00 C ATOM 350 NZ LYS A 22 32.646 -15.325 7.096 1.00 1.00 N ATOM 0 H LYS A 22 33.369 -8.484 4.124 1.00 1.00 H new ATOM 0 HA LYS A 22 31.867 -10.457 5.439 1.00 1.00 H new ATOM 0 HB2 LYS A 22 34.531 -11.300 5.146 1.00 1.00 H new ATOM 0 HB3 LYS A 22 34.384 -10.737 6.799 1.00 1.00 H new ATOM 0 HG2 LYS A 22 32.994 -12.455 7.389 1.00 1.00 H new ATOM 0 HG3 LYS A 22 32.034 -12.304 5.931 1.00 1.00 H new ATOM 0 HD2 LYS A 22 33.155 -13.994 4.897 1.00 1.00 H new ATOM 0 HD3 LYS A 22 34.717 -13.316 5.312 1.00 1.00 H new ATOM 0 HE2 LYS A 22 34.648 -15.422 6.442 1.00 1.00 H new ATOM 0 HE3 LYS A 22 34.347 -14.234 7.695 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 32.591 -15.524 8.115 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 31.866 -14.694 6.824 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 32.571 -16.216 6.565 1.00 1.00 H new ATOM 364 N LYS A 23 32.148 -7.701 5.994 1.00 1.00 N ATOM 365 CA LYS A 23 31.989 -6.516 6.819 1.00 1.00 C ATOM 366 C LYS A 23 30.614 -5.898 6.556 1.00 1.00 C ATOM 367 O LYS A 23 30.382 -5.430 5.432 1.00 1.00 O ATOM 368 CB LYS A 23 33.151 -5.546 6.595 1.00 1.00 C ATOM 369 CG LYS A 23 34.349 -5.914 7.472 1.00 1.00 C ATOM 370 CD LYS A 23 35.654 -5.400 6.861 1.00 1.00 C ATOM 371 CE LYS A 23 36.198 -6.382 5.822 1.00 1.00 C ATOM 372 NZ LYS A 23 37.164 -7.305 6.441 1.00 1.00 N ATOM 0 H LYS A 23 31.767 -7.610 5.052 1.00 1.00 H new ATOM 0 HA LYS A 23 32.024 -6.781 7.876 1.00 1.00 H new ATOM 0 HB2 LYS A 23 33.445 -5.562 5.546 1.00 1.00 H new ATOM 0 HB3 LYS A 23 32.829 -4.529 6.821 1.00 1.00 H new ATOM 0 HG2 LYS A 23 34.218 -5.491 8.468 1.00 1.00 H new ATOM 0 HG3 LYS A 23 34.400 -6.997 7.589 1.00 1.00 H new ATOM 0 HD2 LYS A 23 35.484 -4.429 6.395 1.00 1.00 H new ATOM 0 HD3 LYS A 23 36.394 -5.251 7.648 1.00 1.00 H new ATOM 0 HE2 LYS A 23 35.376 -6.947 5.382 1.00 1.00 H new ATOM 0 HE3 LYS A 23 36.678 -5.834 5.011 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 37.524 -7.965 5.722 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 37.956 -6.762 6.840 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 36.695 -7.841 7.199 1.00 1.00 H new ATOM 386 N LEU A 24 29.743 -5.909 7.582 1.00 1.00 N ATOM 387 CA LEU A 24 28.406 -5.353 7.462 1.00 1.00 C ATOM 388 C LEU A 24 28.265 -4.162 8.412 1.00 1.00 C ATOM 389 O LEU A 24 28.618 -4.304 9.592 1.00 1.00 O ATOM 390 CB LEU A 24 27.353 -6.442 7.681 1.00 1.00 C ATOM 391 CG LEU A 24 27.072 -7.354 6.485 1.00 1.00 C ATOM 392 CD1 LEU A 24 26.622 -6.541 5.269 1.00 1.00 C ATOM 393 CD2 LEU A 24 28.283 -8.234 6.170 1.00 1.00 C ATOM 0 H LEU A 24 29.953 -6.300 8.500 1.00 1.00 H new ATOM 0 HA LEU A 24 28.239 -4.977 6.453 1.00 1.00 H new ATOM 0 HB2 LEU A 24 27.670 -7.063 8.519 1.00 1.00 H new ATOM 0 HB3 LEU A 24 26.419 -5.963 7.974 1.00 1.00 H new ATOM 0 HG LEU A 24 26.250 -8.020 6.749 1.00 1.00 H new ATOM 0 HD11 LEU A 24 26.429 -7.213 4.433 1.00 1.00 H new ATOM 0 HD12 LEU A 24 25.711 -5.995 5.513 1.00 1.00 H new ATOM 0 HD13 LEU A 24 27.405 -5.835 4.993 1.00 1.00 H new ATOM 0 HD21 LEU A 24 28.057 -8.872 5.316 1.00 1.00 H new ATOM 0 HD22 LEU A 24 29.140 -7.603 5.934 1.00 1.00 H new ATOM 0 HD23 LEU A 24 28.517 -8.855 7.035 1.00 1.00 H new ATOM 405 N THR A 25 27.763 -3.030 7.887 1.00 1.00 N ATOM 406 CA THR A 25 27.579 -1.828 8.683 1.00 1.00 C ATOM 407 C THR A 25 26.087 -1.624 8.954 1.00 1.00 C ATOM 408 O THR A 25 25.373 -1.200 8.033 1.00 1.00 O ATOM 409 CB THR A 25 28.230 -0.653 7.951 1.00 1.00 C ATOM 410 OG1 THR A 25 27.471 -0.528 6.751 1.00 1.00 O ATOM 411 CG2 THR A 25 29.644 -0.978 7.464 1.00 1.00 C ATOM 0 H THR A 25 27.480 -2.934 6.912 1.00 1.00 H new ATOM 0 HA THR A 25 28.064 -1.913 9.656 1.00 1.00 H new ATOM 0 HB THR A 25 28.263 0.213 8.612 1.00 1.00 H new ATOM 0 HG1 THR A 25 26.650 -1.058 6.826 1.00 1.00 H new ATOM 0 HG21 THR A 25 30.061 -0.111 6.951 1.00 1.00 H new ATOM 0 HG22 THR A 25 30.273 -1.232 8.317 1.00 1.00 H new ATOM 0 HG23 THR A 25 29.607 -1.823 6.776 1.00 1.00 H new ATOM 419 N LEU A 26 25.653 -1.925 10.191 1.00 1.00 N ATOM 420 CA LEU A 26 24.260 -1.775 10.575 1.00 1.00 C ATOM 421 C LEU A 26 23.725 -0.448 10.033 1.00 1.00 C ATOM 422 O LEU A 26 22.541 -0.393 9.672 1.00 1.00 O ATOM 423 CB LEU A 26 24.102 -1.929 12.090 1.00 1.00 C ATOM 424 CG LEU A 26 22.763 -2.491 12.571 1.00 1.00 C ATOM 425 CD1 LEU A 26 22.502 -2.111 14.030 1.00 1.00 C ATOM 426 CD2 LEU A 26 21.622 -2.054 11.651 1.00 1.00 C ATOM 0 H LEU A 26 26.258 -2.273 10.935 1.00 1.00 H new ATOM 0 HA LEU A 26 23.656 -2.567 10.132 1.00 1.00 H new ATOM 0 HB2 LEU A 26 24.898 -2.579 12.454 1.00 1.00 H new ATOM 0 HB3 LEU A 26 24.251 -0.953 12.552 1.00 1.00 H new ATOM 0 HG LEU A 26 22.813 -3.579 12.526 1.00 1.00 H new ATOM 0 HD11 LEU A 26 21.544 -2.523 14.347 1.00 1.00 H new ATOM 0 HD12 LEU A 26 23.296 -2.514 14.659 1.00 1.00 H new ATOM 0 HD13 LEU A 26 22.480 -1.025 14.125 1.00 1.00 H new ATOM 0 HD21 LEU A 26 20.682 -2.467 12.016 1.00 1.00 H new ATOM 0 HD22 LEU A 26 21.560 -0.966 11.640 1.00 1.00 H new ATOM 0 HD23 LEU A 26 21.810 -2.417 10.641 1.00 1.00 H new ATOM 438 N SER A 27 24.594 0.577 9.988 1.00 1.00 N ATOM 439 CA SER A 27 24.212 1.890 9.494 1.00 1.00 C ATOM 440 C SER A 27 23.906 1.797 7.998 1.00 1.00 C ATOM 441 O SER A 27 22.924 2.414 7.557 1.00 1.00 O ATOM 442 CB SER A 27 25.308 2.925 9.749 1.00 1.00 C ATOM 443 OG SER A 27 25.138 4.092 8.948 1.00 1.00 O ATOM 0 H SER A 27 25.566 0.510 10.291 1.00 1.00 H new ATOM 0 HA SER A 27 23.322 2.217 10.032 1.00 1.00 H new ATOM 0 HB2 SER A 27 25.304 3.205 10.802 1.00 1.00 H new ATOM 0 HB3 SER A 27 26.281 2.481 9.541 1.00 1.00 H new ATOM 0 HG SER A 27 25.857 4.729 9.141 1.00 1.00 H new ATOM 449 N GLY A 28 24.738 1.042 7.258 1.00 1.00 N ATOM 450 CA GLY A 28 24.557 0.873 5.827 1.00 1.00 C ATOM 451 C GLY A 28 23.423 -0.122 5.574 1.00 1.00 C ATOM 452 O GLY A 28 22.910 -0.158 4.446 1.00 1.00 O ATOM 0 H GLY A 28 25.541 0.543 7.640 1.00 1.00 H new ATOM 0 HA2 GLY A 28 24.325 1.832 5.363 1.00 1.00 H new ATOM 0 HA3 GLY A 28 25.480 0.513 5.372 1.00 1.00 H new ATOM 456 N ILE A 29 23.061 -0.898 6.611 1.00 1.00 N ATOM 457 CA ILE A 29 21.998 -1.883 6.502 1.00 1.00 C ATOM 458 C ILE A 29 20.644 -1.180 6.609 1.00 1.00 C ATOM 459 O ILE A 29 19.803 -1.380 5.720 1.00 1.00 O ATOM 460 CB ILE A 29 22.194 -3.000 7.529 1.00 1.00 C ATOM 461 CG1 ILE A 29 23.020 -4.146 6.942 1.00 1.00 C ATOM 462 CG2 ILE A 29 20.850 -3.483 8.077 1.00 1.00 C ATOM 463 CD1 ILE A 29 24.456 -4.114 7.470 1.00 1.00 C ATOM 0 H ILE A 29 23.497 -0.853 7.532 1.00 1.00 H new ATOM 0 HA ILE A 29 22.029 -2.370 5.527 1.00 1.00 H new ATOM 0 HB ILE A 29 22.757 -2.596 8.370 1.00 1.00 H new ATOM 0 HG12 ILE A 29 22.557 -5.100 7.195 1.00 1.00 H new ATOM 0 HG13 ILE A 29 23.027 -4.074 5.854 1.00 1.00 H new ATOM 0 HG21 ILE A 29 21.018 -4.277 8.805 1.00 1.00 H new ATOM 0 HG22 ILE A 29 20.334 -2.653 8.559 1.00 1.00 H new ATOM 0 HG23 ILE A 29 20.239 -3.864 7.259 1.00 1.00 H new ATOM 0 HD11 ILE A 29 25.021 -4.939 7.037 1.00 1.00 H new ATOM 0 HD12 ILE A 29 24.924 -3.169 7.194 1.00 1.00 H new ATOM 0 HD13 ILE A 29 24.447 -4.211 8.556 1.00 1.00 H new ATOM 475 N CYS A 30 20.462 -0.383 7.677 1.00 1.00 N ATOM 476 CA CYS A 30 19.221 0.341 7.896 1.00 1.00 C ATOM 477 C CYS A 30 18.865 1.127 6.632 1.00 1.00 C ATOM 478 O CYS A 30 17.695 1.090 6.225 1.00 1.00 O ATOM 479 CB CYS A 30 19.320 1.248 9.123 1.00 1.00 C ATOM 480 SG CYS A 30 20.254 2.785 8.862 1.00 1.00 S ATOM 0 H CYS A 30 21.168 -0.231 8.398 1.00 1.00 H new ATOM 0 HA CYS A 30 18.420 -0.370 8.099 1.00 1.00 H new ATOM 0 HB2 CYS A 30 18.312 1.503 9.451 1.00 1.00 H new ATOM 0 HB3 CYS A 30 19.787 0.689 9.934 1.00 1.00 H new ATOM 0 HG CYS A 30 21.499 2.500 8.618 1.00 1.00 H new ATOM 486 N GLU A 31 19.865 1.810 6.047 1.00 1.00 N ATOM 487 CA GLU A 31 19.658 2.596 4.842 1.00 1.00 C ATOM 488 C GLU A 31 19.425 1.655 3.658 1.00 1.00 C ATOM 489 O GLU A 31 18.720 2.052 2.719 1.00 1.00 O ATOM 490 CB GLU A 31 20.837 3.533 4.573 1.00 1.00 C ATOM 491 CG GLU A 31 20.591 4.380 3.323 1.00 1.00 C ATOM 492 CD GLU A 31 21.912 4.801 2.676 1.00 1.00 C ATOM 493 OE1 GLU A 31 22.723 3.939 2.306 1.00 1.00 O ATOM 494 OE2 GLU A 31 22.082 6.075 2.563 1.00 1.00 O ATOM 0 H GLU A 31 20.822 1.826 6.399 1.00 1.00 H new ATOM 0 HA GLU A 31 18.778 3.224 4.981 1.00 1.00 H new ATOM 0 HB2 GLU A 31 20.992 4.184 5.433 1.00 1.00 H new ATOM 0 HB3 GLU A 31 21.749 2.949 4.447 1.00 1.00 H new ATOM 0 HG2 GLU A 31 19.996 3.813 2.607 1.00 1.00 H new ATOM 0 HG3 GLU A 31 20.013 5.266 3.588 1.00 1.00 H new ATOM 501 N PHE A 32 20.011 0.446 3.725 1.00 1.00 N ATOM 502 CA PHE A 32 19.867 -0.539 2.667 1.00 1.00 C ATOM 503 C PHE A 32 18.437 -1.082 2.673 1.00 1.00 C ATOM 504 O PHE A 32 17.914 -1.379 1.589 1.00 1.00 O ATOM 505 CB PHE A 32 20.885 -1.674 2.888 1.00 1.00 C ATOM 506 CG PHE A 32 20.311 -3.078 2.749 1.00 1.00 C ATOM 507 CD1 PHE A 32 19.868 -3.540 1.489 1.00 1.00 C ATOM 508 CD2 PHE A 32 20.223 -3.929 3.876 1.00 1.00 C ATOM 509 CE1 PHE A 32 19.340 -4.842 1.356 1.00 1.00 C ATOM 510 CE2 PHE A 32 19.695 -5.231 3.742 1.00 1.00 C ATOM 511 CZ PHE A 32 19.252 -5.687 2.482 1.00 1.00 C ATOM 0 H PHE A 32 20.588 0.138 4.508 1.00 1.00 H new ATOM 0 HA PHE A 32 20.061 -0.081 1.697 1.00 1.00 H new ATOM 0 HB2 PHE A 32 21.700 -1.557 2.174 1.00 1.00 H new ATOM 0 HB3 PHE A 32 21.316 -1.569 3.884 1.00 1.00 H new ATOM 0 HD1 PHE A 32 19.934 -2.895 0.625 1.00 1.00 H new ATOM 0 HD2 PHE A 32 20.561 -3.581 4.841 1.00 1.00 H new ATOM 0 HE1 PHE A 32 19.003 -5.192 0.391 1.00 1.00 H new ATOM 0 HE2 PHE A 32 19.630 -5.879 4.604 1.00 1.00 H new ATOM 0 HZ PHE A 32 18.846 -6.682 2.380 1.00 1.00 H new ATOM 521 N ILE A 33 17.843 -1.201 3.874 1.00 1.00 N ATOM 522 CA ILE A 33 16.488 -1.704 4.016 1.00 1.00 C ATOM 523 C ILE A 33 15.515 -0.734 3.342 1.00 1.00 C ATOM 524 O ILE A 33 14.830 -1.150 2.395 1.00 1.00 O ATOM 525 CB ILE A 33 16.167 -1.972 5.488 1.00 1.00 C ATOM 526 CG1 ILE A 33 17.103 -3.035 6.068 1.00 1.00 C ATOM 527 CG2 ILE A 33 14.694 -2.344 5.670 1.00 1.00 C ATOM 528 CD1 ILE A 33 16.973 -4.355 5.304 1.00 1.00 C ATOM 0 H ILE A 33 18.292 -0.952 4.755 1.00 1.00 H new ATOM 0 HA ILE A 33 16.384 -2.664 3.511 1.00 1.00 H new ATOM 0 HB ILE A 33 16.337 -1.052 6.048 1.00 1.00 H new ATOM 0 HG12 ILE A 33 18.133 -2.683 6.020 1.00 1.00 H new ATOM 0 HG13 ILE A 33 16.870 -3.195 7.121 1.00 1.00 H new ATOM 0 HG21 ILE A 33 14.493 -2.529 6.725 1.00 1.00 H new ATOM 0 HG22 ILE A 33 14.066 -1.525 5.319 1.00 1.00 H new ATOM 0 HG23 ILE A 33 14.472 -3.243 5.095 1.00 1.00 H new ATOM 0 HD11 ILE A 33 17.648 -5.093 5.736 1.00 1.00 H new ATOM 0 HD12 ILE A 33 15.947 -4.717 5.374 1.00 1.00 H new ATOM 0 HD13 ILE A 33 17.231 -4.196 4.257 1.00 1.00 H new ATOM 540 N SER A 34 15.474 0.517 3.833 1.00 1.00 N ATOM 541 CA SER A 34 14.594 1.533 3.281 1.00 1.00 C ATOM 542 C SER A 34 14.776 1.589 1.763 1.00 1.00 C ATOM 543 O SER A 34 13.857 2.060 1.077 1.00 1.00 O ATOM 544 CB SER A 34 14.865 2.905 3.900 1.00 1.00 C ATOM 545 OG SER A 34 13.906 3.875 3.488 1.00 1.00 O ATOM 0 H SER A 34 16.046 0.838 4.614 1.00 1.00 H new ATOM 0 HA SER A 34 13.564 1.265 3.518 1.00 1.00 H new ATOM 0 HB2 SER A 34 14.852 2.821 4.987 1.00 1.00 H new ATOM 0 HB3 SER A 34 15.863 3.239 3.618 1.00 1.00 H new ATOM 0 HG SER A 34 14.113 4.737 3.906 1.00 1.00 H new ATOM 551 N ASN A 35 15.938 1.117 1.278 1.00 1.00 N ATOM 552 CA ASN A 35 16.234 1.115 -0.145 1.00 1.00 C ATOM 553 C ASN A 35 15.177 0.288 -0.880 1.00 1.00 C ATOM 554 O ASN A 35 14.858 0.626 -2.029 1.00 1.00 O ATOM 555 CB ASN A 35 17.602 0.487 -0.421 1.00 1.00 C ATOM 556 CG ASN A 35 18.341 1.249 -1.523 1.00 1.00 C ATOM 557 OD1 ASN A 35 17.860 1.410 -2.633 1.00 1.00 O ATOM 558 ND2 ASN A 35 19.535 1.706 -1.157 1.00 1.00 N ATOM 0 H ASN A 35 16.682 0.734 1.861 1.00 1.00 H new ATOM 0 HA ASN A 35 16.235 2.148 -0.492 1.00 1.00 H new ATOM 0 HB2 ASN A 35 18.199 0.490 0.491 1.00 1.00 H new ATOM 0 HB3 ASN A 35 17.475 -0.555 -0.716 1.00 1.00 H new ATOM 0 HD21 ASN A 35 20.108 2.226 -1.822 1.00 1.00 H new ATOM 0 HD22 ASN A 35 19.878 1.536 -0.212 1.00 1.00 H new ATOM 565 N ARG A 36 14.663 -0.762 -0.214 1.00 1.00 N ATOM 566 CA ARG A 36 13.653 -1.626 -0.800 1.00 1.00 C ATOM 567 C ARG A 36 12.550 -1.884 0.228 1.00 1.00 C ATOM 568 O ARG A 36 11.748 -2.805 0.014 1.00 1.00 O ATOM 569 CB ARG A 36 14.246 -2.964 -1.248 1.00 1.00 C ATOM 570 CG ARG A 36 14.998 -3.641 -0.100 1.00 1.00 C ATOM 571 CD ARG A 36 16.369 -4.139 -0.562 1.00 1.00 C ATOM 572 NE ARG A 36 16.377 -5.618 -0.621 1.00 1.00 N ATOM 573 CZ ARG A 36 15.826 -6.338 -1.621 1.00 1.00 C ATOM 574 NH1 ARG A 36 15.229 -5.694 -2.633 1.00 1.00 N ATOM 575 NH2 ARG A 36 15.875 -7.677 -1.601 1.00 1.00 N ATOM 0 H ARG A 36 14.939 -1.023 0.732 1.00 1.00 H new ATOM 0 HA ARG A 36 13.247 -1.123 -1.678 1.00 1.00 H new ATOM 0 HB2 ARG A 36 13.450 -3.619 -1.602 1.00 1.00 H new ATOM 0 HB3 ARG A 36 14.923 -2.803 -2.087 1.00 1.00 H new ATOM 0 HG2 ARG A 36 15.121 -2.938 0.724 1.00 1.00 H new ATOM 0 HG3 ARG A 36 14.412 -4.478 0.280 1.00 1.00 H new ATOM 0 HD2 ARG A 36 16.603 -3.726 -1.543 1.00 1.00 H new ATOM 0 HD3 ARG A 36 17.142 -3.790 0.123 1.00 1.00 H new ATOM 0 HE ARG A 36 16.827 -6.125 0.141 1.00 1.00 H new ATOM 0 HH11 ARG A 36 15.196 -4.675 -2.640 1.00 1.00 H new ATOM 0 HH12 ARG A 36 14.808 -6.223 -3.396 1.00 1.00 H new ATOM 0 HH21 ARG A 36 16.331 -8.159 -0.826 1.00 1.00 H new ATOM 0 HH22 ARG A 36 15.456 -8.214 -2.360 1.00 1.00 H new ATOM 589 N PHE A 37 12.530 -1.079 1.305 1.00 1.00 N ATOM 590 CA PHE A 37 11.534 -1.219 2.354 1.00 1.00 C ATOM 591 C PHE A 37 11.094 0.169 2.822 1.00 1.00 C ATOM 592 O PHE A 37 11.288 0.480 4.007 1.00 1.00 O ATOM 593 CB PHE A 37 12.136 -2.025 3.521 1.00 1.00 C ATOM 594 CG PHE A 37 11.882 -3.525 3.454 1.00 1.00 C ATOM 595 CD1 PHE A 37 12.378 -4.280 2.366 1.00 1.00 C ATOM 596 CD2 PHE A 37 11.158 -4.174 4.481 1.00 1.00 C ATOM 597 CE1 PHE A 37 12.148 -5.671 2.304 1.00 1.00 C ATOM 598 CE2 PHE A 37 10.928 -5.565 4.418 1.00 1.00 C ATOM 599 CZ PHE A 37 11.423 -6.313 3.329 1.00 1.00 C ATOM 0 H PHE A 37 13.200 -0.326 1.462 1.00 1.00 H new ATOM 0 HA PHE A 37 10.661 -1.751 1.976 1.00 1.00 H new ATOM 0 HB2 PHE A 37 13.212 -1.853 3.547 1.00 1.00 H new ATOM 0 HB3 PHE A 37 11.729 -1.643 4.457 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.934 -3.791 1.580 1.00 1.00 H new ATOM 0 HD2 PHE A 37 10.780 -3.603 5.316 1.00 1.00 H new ATOM 0 HE1 PHE A 37 12.527 -6.244 1.471 1.00 1.00 H new ATOM 0 HE2 PHE A 37 10.373 -6.057 5.203 1.00 1.00 H new ATOM 0 HZ PHE A 37 11.247 -7.377 3.280 1.00 1.00 H new ATOM 609 N PRO A 38 10.521 0.962 1.900 1.00 1.00 N ATOM 610 CA PRO A 38 10.047 2.307 2.181 1.00 1.00 C ATOM 611 C PRO A 38 8.739 2.273 2.974 1.00 1.00 C ATOM 612 O PRO A 38 8.676 2.912 4.035 1.00 1.00 O ATOM 613 CB PRO A 38 9.900 2.965 0.819 1.00 1.00 C ATOM 614 CG PRO A 38 9.848 1.829 -0.189 1.00 1.00 C ATOM 615 CD PRO A 38 10.309 0.562 0.512 1.00 1.00 C ATOM 0 HA PRO A 38 10.735 2.873 2.809 1.00 1.00 H new ATOM 0 HB2 PRO A 38 8.994 3.570 0.773 1.00 1.00 H new ATOM 0 HB3 PRO A 38 10.738 3.631 0.614 1.00 1.00 H new ATOM 0 HG2 PRO A 38 8.835 1.706 -0.573 1.00 1.00 H new ATOM 0 HG3 PRO A 38 10.489 2.047 -1.043 1.00 1.00 H new ATOM 0 HD2 PRO A 38 9.560 -0.227 0.437 1.00 1.00 H new ATOM 0 HD3 PRO A 38 11.226 0.175 0.067 1.00 1.00 H new ATOM 623 N TYR A 39 7.738 1.542 2.453 1.00 1.00 N ATOM 624 CA TYR A 39 6.468 1.473 3.155 1.00 1.00 C ATOM 625 C TYR A 39 6.634 0.627 4.419 1.00 1.00 C ATOM 626 O TYR A 39 5.786 0.745 5.315 1.00 1.00 O ATOM 627 CB TYR A 39 5.379 0.907 2.225 1.00 1.00 C ATOM 628 CG TYR A 39 4.306 1.910 1.825 1.00 1.00 C ATOM 629 CD1 TYR A 39 4.649 3.070 1.093 1.00 1.00 C ATOM 630 CD2 TYR A 39 2.959 1.688 2.190 1.00 1.00 C ATOM 631 CE1 TYR A 39 3.652 3.999 0.726 1.00 1.00 C ATOM 632 CE2 TYR A 39 1.962 2.617 1.824 1.00 1.00 C ATOM 633 CZ TYR A 39 2.307 3.773 1.091 1.00 1.00 C ATOM 634 OH TYR A 39 1.338 4.669 0.738 1.00 1.00 O ATOM 0 H TYR A 39 7.788 1.014 1.582 1.00 1.00 H new ATOM 0 HA TYR A 39 6.153 2.473 3.454 1.00 1.00 H new ATOM 0 HB2 TYR A 39 5.854 0.523 1.322 1.00 1.00 H new ATOM 0 HB3 TYR A 39 4.901 0.061 2.719 1.00 1.00 H new ATOM 0 HD1 TYR A 39 5.677 3.246 0.814 1.00 1.00 H new ATOM 0 HD2 TYR A 39 2.692 0.805 2.751 1.00 1.00 H new ATOM 0 HE1 TYR A 39 3.918 4.883 0.166 1.00 1.00 H new ATOM 0 HE2 TYR A 39 0.934 2.443 2.105 1.00 1.00 H new ATOM 0 HH TYR A 39 1.195 4.632 -0.231 1.00 1.00 H new ATOM 644 N TYR A 40 7.695 -0.199 4.465 1.00 1.00 N ATOM 645 CA TYR A 40 7.893 -1.037 5.636 1.00 1.00 C ATOM 646 C TYR A 40 8.548 -0.210 6.744 1.00 1.00 C ATOM 647 O TYR A 40 8.005 -0.198 7.859 1.00 1.00 O ATOM 648 CB TYR A 40 8.737 -2.271 5.267 1.00 1.00 C ATOM 649 CG TYR A 40 8.514 -3.480 6.165 1.00 1.00 C ATOM 650 CD1 TYR A 40 8.551 -3.343 7.571 1.00 1.00 C ATOM 651 CD2 TYR A 40 8.273 -4.750 5.592 1.00 1.00 C ATOM 652 CE1 TYR A 40 8.346 -4.468 8.399 1.00 1.00 C ATOM 653 CE2 TYR A 40 8.068 -5.874 6.420 1.00 1.00 C ATOM 654 CZ TYR A 40 8.104 -5.735 7.824 1.00 1.00 C ATOM 655 OH TYR A 40 7.904 -6.825 8.622 1.00 1.00 O ATOM 0 H TYR A 40 8.397 -0.296 3.731 1.00 1.00 H new ATOM 0 HA TYR A 40 6.932 -1.398 6.003 1.00 1.00 H new ATOM 0 HB2 TYR A 40 8.515 -2.553 4.238 1.00 1.00 H new ATOM 0 HB3 TYR A 40 9.792 -1.998 5.302 1.00 1.00 H new ATOM 0 HD1 TYR A 40 8.737 -2.375 8.013 1.00 1.00 H new ATOM 0 HD2 TYR A 40 8.246 -4.860 4.518 1.00 1.00 H new ATOM 0 HE1 TYR A 40 8.374 -4.360 9.473 1.00 1.00 H new ATOM 0 HE2 TYR A 40 7.883 -6.842 5.979 1.00 1.00 H new ATOM 0 HH TYR A 40 6.988 -7.153 8.505 1.00 1.00 H new ATOM 665 N ARG A 41 9.680 0.445 6.430 1.00 1.00 N ATOM 666 CA ARG A 41 10.396 1.254 7.401 1.00 1.00 C ATOM 667 C ARG A 41 9.603 2.533 7.677 1.00 1.00 C ATOM 668 O ARG A 41 9.526 2.938 8.846 1.00 1.00 O ATOM 669 CB ARG A 41 11.794 1.627 6.902 1.00 1.00 C ATOM 670 CG ARG A 41 12.507 2.539 7.902 1.00 1.00 C ATOM 671 CD ARG A 41 12.617 3.966 7.360 1.00 1.00 C ATOM 672 NE ARG A 41 12.923 4.904 8.463 1.00 1.00 N ATOM 673 CZ ARG A 41 12.451 6.167 8.536 1.00 1.00 C ATOM 674 NH1 ARG A 41 11.653 6.620 7.560 1.00 1.00 N ATOM 675 NH2 ARG A 41 12.775 6.956 9.570 1.00 1.00 N ATOM 0 H ARG A 41 10.110 0.422 5.505 1.00 1.00 H new ATOM 0 HA ARG A 41 10.506 0.668 8.314 1.00 1.00 H new ATOM 0 HB2 ARG A 41 12.382 0.722 6.746 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.718 2.128 5.937 1.00 1.00 H new ATOM 0 HG2 ARG A 41 11.962 2.546 8.846 1.00 1.00 H new ATOM 0 HG3 ARG A 41 13.503 2.148 8.111 1.00 1.00 H new ATOM 0 HD2 ARG A 41 13.398 4.016 6.601 1.00 1.00 H new ATOM 0 HD3 ARG A 41 11.683 4.253 6.876 1.00 1.00 H new ATOM 0 HE ARG A 41 13.529 4.576 9.215 1.00 1.00 H new ATOM 0 HH11 ARG A 41 11.410 6.013 6.777 1.00 1.00 H new ATOM 0 HH12 ARG A 41 11.288 7.572 7.600 1.00 1.00 H new ATOM 0 HH21 ARG A 41 13.383 6.604 10.310 1.00 1.00 H new ATOM 0 HH22 ARG A 41 12.414 7.909 9.617 1.00 1.00 H new ATOM 689 N GLU A 42 9.039 3.133 6.614 1.00 1.00 N ATOM 690 CA GLU A 42 8.260 4.353 6.741 1.00 1.00 C ATOM 691 C GLU A 42 6.982 4.057 7.528 1.00 1.00 C ATOM 692 O GLU A 42 6.300 5.013 7.925 1.00 1.00 O ATOM 693 CB GLU A 42 7.935 4.958 5.374 1.00 1.00 C ATOM 694 CG GLU A 42 7.437 6.398 5.516 1.00 1.00 C ATOM 695 CD GLU A 42 8.602 7.359 5.764 1.00 1.00 C ATOM 696 OE1 GLU A 42 9.657 7.233 5.124 1.00 1.00 O ATOM 697 OE2 GLU A 42 8.382 8.264 6.656 1.00 1.00 O ATOM 0 H GLU A 42 9.115 2.783 5.659 1.00 1.00 H new ATOM 0 HA GLU A 42 8.853 5.091 7.281 1.00 1.00 H new ATOM 0 HB2 GLU A 42 8.823 4.937 4.743 1.00 1.00 H new ATOM 0 HB3 GLU A 42 7.176 4.354 4.876 1.00 1.00 H new ATOM 0 HG2 GLU A 42 6.904 6.693 4.612 1.00 1.00 H new ATOM 0 HG3 GLU A 42 6.727 6.461 6.340 1.00 1.00 H new ATOM 704 N LYS A 43 6.688 2.761 7.734 1.00 1.00 N ATOM 705 CA LYS A 43 5.503 2.347 8.466 1.00 1.00 C ATOM 706 C LYS A 43 5.924 1.727 9.800 1.00 1.00 C ATOM 707 O LYS A 43 5.216 1.935 10.796 1.00 1.00 O ATOM 708 CB LYS A 43 4.637 1.426 7.606 1.00 1.00 C ATOM 709 CG LYS A 43 3.303 1.128 8.293 1.00 1.00 C ATOM 710 CD LYS A 43 2.166 1.928 7.654 1.00 1.00 C ATOM 711 CE LYS A 43 1.300 1.035 6.763 1.00 1.00 C ATOM 712 NZ LYS A 43 1.938 0.844 5.450 1.00 1.00 N ATOM 0 H LYS A 43 7.264 1.989 7.398 1.00 1.00 H new ATOM 0 HA LYS A 43 4.878 3.209 8.698 1.00 1.00 H new ATOM 0 HB2 LYS A 43 4.455 1.892 6.637 1.00 1.00 H new ATOM 0 HB3 LYS A 43 5.169 0.494 7.416 1.00 1.00 H new ATOM 0 HG2 LYS A 43 3.085 0.062 8.225 1.00 1.00 H new ATOM 0 HG3 LYS A 43 3.373 1.372 9.353 1.00 1.00 H new ATOM 0 HD2 LYS A 43 1.550 2.377 8.433 1.00 1.00 H new ATOM 0 HD3 LYS A 43 2.579 2.746 7.063 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.148 0.069 7.244 1.00 1.00 H new ATOM 0 HE3 LYS A 43 0.316 1.485 6.634 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 1.338 0.236 4.857 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 2.061 1.767 4.986 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 2.867 0.394 5.578 1.00 1.00 H new ATOM 726 N PHE A 44 7.049 0.990 9.793 1.00 1.00 N ATOM 727 CA PHE A 44 7.555 0.347 10.994 1.00 1.00 C ATOM 728 C PHE A 44 9.054 0.626 11.122 1.00 1.00 C ATOM 729 O PHE A 44 9.840 -0.330 11.044 1.00 1.00 O ATOM 730 CB PHE A 44 7.286 -1.168 10.911 1.00 1.00 C ATOM 731 CG PHE A 44 7.261 -1.883 12.256 1.00 1.00 C ATOM 732 CD1 PHE A 44 7.824 -1.272 13.401 1.00 1.00 C ATOM 733 CD2 PHE A 44 6.678 -3.166 12.365 1.00 1.00 C ATOM 734 CE1 PHE A 44 7.803 -1.939 14.644 1.00 1.00 C ATOM 735 CE2 PHE A 44 6.657 -3.833 13.609 1.00 1.00 C ATOM 736 CZ PHE A 44 7.219 -3.220 14.748 1.00 1.00 C ATOM 0 H PHE A 44 7.618 0.831 8.961 1.00 1.00 H new ATOM 0 HA PHE A 44 7.050 0.743 11.875 1.00 1.00 H new ATOM 0 HB2 PHE A 44 6.330 -1.327 10.412 1.00 1.00 H new ATOM 0 HB3 PHE A 44 8.052 -1.626 10.285 1.00 1.00 H new ATOM 0 HD1 PHE A 44 8.271 -0.292 13.323 1.00 1.00 H new ATOM 0 HD2 PHE A 44 6.247 -3.637 11.494 1.00 1.00 H new ATOM 0 HE1 PHE A 44 8.234 -1.470 15.516 1.00 1.00 H new ATOM 0 HE2 PHE A 44 6.210 -4.813 13.689 1.00 1.00 H new ATOM 0 HZ PHE A 44 7.203 -3.730 15.700 1.00 1.00 H new ATOM 746 N PRO A 45 9.415 1.907 11.314 1.00 1.00 N ATOM 747 CA PRO A 45 10.794 2.340 11.456 1.00 1.00 C ATOM 748 C PRO A 45 11.345 1.973 12.835 1.00 1.00 C ATOM 749 O PRO A 45 12.562 2.096 13.036 1.00 1.00 O ATOM 750 CB PRO A 45 10.764 3.839 11.208 1.00 1.00 C ATOM 751 CG PRO A 45 9.316 4.264 11.396 1.00 1.00 C ATOM 752 CD PRO A 45 8.460 3.008 11.401 1.00 1.00 C ATOM 0 HA PRO A 45 11.464 1.847 10.752 1.00 1.00 H new ATOM 0 HB2 PRO A 45 11.418 4.363 11.904 1.00 1.00 H new ATOM 0 HB3 PRO A 45 11.113 4.076 10.203 1.00 1.00 H new ATOM 0 HG2 PRO A 45 9.197 4.811 12.331 1.00 1.00 H new ATOM 0 HG3 PRO A 45 9.007 4.934 10.593 1.00 1.00 H new ATOM 0 HD2 PRO A 45 7.861 2.941 12.309 1.00 1.00 H new ATOM 0 HD3 PRO A 45 7.767 2.998 10.560 1.00 1.00 H new ATOM 760 N ALA A 46 10.454 1.537 13.743 1.00 1.00 N ATOM 761 CA ALA A 46 10.848 1.157 15.089 1.00 1.00 C ATOM 762 C ALA A 46 11.406 -0.268 15.069 1.00 1.00 C ATOM 763 O ALA A 46 12.108 -0.640 16.021 1.00 1.00 O ATOM 764 CB ALA A 46 9.617 1.123 15.996 1.00 1.00 C ATOM 0 H ALA A 46 9.456 1.443 13.557 1.00 1.00 H new ATOM 0 HA ALA A 46 11.586 1.874 15.448 1.00 1.00 H new ATOM 0 HB1 ALA A 46 9.916 0.838 17.005 1.00 1.00 H new ATOM 0 HB2 ALA A 46 9.155 2.110 16.020 1.00 1.00 H new ATOM 0 HB3 ALA A 46 8.901 0.397 15.611 1.00 1.00 H new ATOM 770 N TRP A 47 11.089 -1.024 14.003 1.00 1.00 N ATOM 771 CA TRP A 47 11.555 -2.393 13.863 1.00 1.00 C ATOM 772 C TRP A 47 13.021 -2.386 13.427 1.00 1.00 C ATOM 773 O TRP A 47 13.608 -3.472 13.312 1.00 1.00 O ATOM 774 CB TRP A 47 10.649 -3.166 12.903 1.00 1.00 C ATOM 775 CG TRP A 47 11.027 -3.008 11.429 1.00 1.00 C ATOM 776 CD1 TRP A 47 11.530 -1.927 10.817 1.00 1.00 C ATOM 777 CD2 TRP A 47 10.911 -4.013 10.399 1.00 1.00 C ATOM 778 NE1 TRP A 47 11.745 -2.161 9.474 1.00 1.00 N ATOM 779 CE2 TRP A 47 11.358 -3.469 9.212 1.00 1.00 C ATOM 780 CE3 TRP A 47 10.445 -5.338 10.469 1.00 1.00 C ATOM 781 CZ2 TRP A 47 11.382 -4.179 8.005 1.00 1.00 C ATOM 782 CZ3 TRP A 47 10.475 -6.033 9.254 1.00 1.00 C ATOM 783 CH2 TRP A 47 10.922 -5.500 8.050 1.00 1.00 C ATOM 0 H TRP A 47 10.509 -0.698 13.230 1.00 1.00 H new ATOM 0 HA TRP A 47 11.502 -2.911 14.821 1.00 1.00 H new ATOM 0 HB2 TRP A 47 10.679 -4.224 13.164 1.00 1.00 H new ATOM 0 HB3 TRP A 47 9.621 -2.832 13.042 1.00 1.00 H new ATOM 0 HD1 TRP A 47 11.741 -0.991 11.312 1.00 1.00 H new ATOM 0 HE1 TRP A 47 12.119 -1.495 8.798 1.00 1.00 H new ATOM 0 HE3 TRP A 47 10.092 -5.784 11.387 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 11.737 -3.731 7.088 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 10.126 -7.055 9.252 1.00 1.00 H new ATOM 0 HH2 TRP A 47 10.914 -6.103 7.154 1.00 1.00 H new ATOM 794 N GLN A 48 13.575 -1.182 13.198 1.00 1.00 N ATOM 795 CA GLN A 48 14.960 -1.039 12.779 1.00 1.00 C ATOM 796 C GLN A 48 15.853 -1.883 13.689 1.00 1.00 C ATOM 797 O GLN A 48 16.789 -2.514 13.176 1.00 1.00 O ATOM 798 CB GLN A 48 15.399 0.427 12.785 1.00 1.00 C ATOM 799 CG GLN A 48 16.874 0.558 12.399 1.00 1.00 C ATOM 800 CD GLN A 48 17.512 1.773 13.077 1.00 1.00 C ATOM 801 OE1 GLN A 48 17.963 2.708 12.436 1.00 1.00 O ATOM 802 NE2 GLN A 48 17.525 1.707 14.405 1.00 1.00 N ATOM 0 H GLN A 48 13.075 -0.299 13.299 1.00 1.00 H new ATOM 0 HA GLN A 48 15.054 -1.395 11.753 1.00 1.00 H new ATOM 0 HB2 GLN A 48 14.785 0.997 12.088 1.00 1.00 H new ATOM 0 HB3 GLN A 48 15.239 0.855 13.775 1.00 1.00 H new ATOM 0 HG2 GLN A 48 17.410 -0.346 12.686 1.00 1.00 H new ATOM 0 HG3 GLN A 48 16.964 0.652 11.317 1.00 1.00 H new ATOM 0 HE21 GLN A 48 17.130 0.895 14.879 1.00 1.00 H new ATOM 0 HE22 GLN A 48 17.930 2.469 14.950 1.00 1.00 H new ATOM 811 N ASN A 49 15.553 -1.878 15.000 1.00 1.00 N ATOM 812 CA ASN A 49 16.324 -2.639 15.969 1.00 1.00 C ATOM 813 C ASN A 49 15.853 -4.094 15.961 1.00 1.00 C ATOM 814 O ASN A 49 16.700 -4.989 16.091 1.00 1.00 O ATOM 815 CB ASN A 49 16.129 -2.087 17.383 1.00 1.00 C ATOM 816 CG ASN A 49 17.310 -2.455 18.283 1.00 1.00 C ATOM 817 OD1 ASN A 49 18.460 -2.453 17.875 1.00 1.00 O ATOM 818 ND2 ASN A 49 16.963 -2.772 19.528 1.00 1.00 N ATOM 0 H ASN A 49 14.778 -1.351 15.402 1.00 1.00 H new ATOM 0 HA ASN A 49 17.376 -2.566 15.694 1.00 1.00 H new ATOM 0 HB2 ASN A 49 16.022 -1.003 17.342 1.00 1.00 H new ATOM 0 HB3 ASN A 49 15.206 -2.483 17.808 1.00 1.00 H new ATOM 0 HD21 ASN A 49 17.679 -3.034 20.206 1.00 1.00 H new ATOM 0 HD22 ASN A 49 15.981 -2.753 19.804 1.00 1.00 H new ATOM 825 N SER A 50 14.532 -4.299 15.811 1.00 1.00 N ATOM 826 CA SER A 50 13.957 -5.633 15.785 1.00 1.00 C ATOM 827 C SER A 50 14.762 -6.513 14.827 1.00 1.00 C ATOM 828 O SER A 50 15.066 -7.658 15.193 1.00 1.00 O ATOM 829 CB SER A 50 12.486 -5.601 15.367 1.00 1.00 C ATOM 830 OG SER A 50 12.333 -5.359 13.971 1.00 1.00 O ATOM 0 H SER A 50 13.850 -3.547 15.707 1.00 1.00 H new ATOM 0 HA SER A 50 14.002 -6.048 16.792 1.00 1.00 H new ATOM 0 HB2 SER A 50 12.015 -6.550 15.624 1.00 1.00 H new ATOM 0 HB3 SER A 50 11.966 -4.825 15.929 1.00 1.00 H new ATOM 0 HG SER A 50 13.013 -4.719 13.674 1.00 1.00 H new ATOM 836 N ILE A 51 15.087 -5.970 13.640 1.00 1.00 N ATOM 837 CA ILE A 51 15.849 -6.701 12.642 1.00 1.00 C ATOM 838 C ILE A 51 17.253 -6.982 13.184 1.00 1.00 C ATOM 839 O ILE A 51 17.750 -8.100 12.982 1.00 1.00 O ATOM 840 CB ILE A 51 15.843 -5.951 11.309 1.00 1.00 C ATOM 841 CG1 ILE A 51 14.418 -5.797 10.773 1.00 1.00 C ATOM 842 CG2 ILE A 51 16.766 -6.629 10.294 1.00 1.00 C ATOM 843 CD1 ILE A 51 14.384 -4.851 9.570 1.00 1.00 C ATOM 0 H ILE A 51 14.828 -5.024 13.359 1.00 1.00 H new ATOM 0 HA ILE A 51 15.386 -7.667 12.440 1.00 1.00 H new ATOM 0 HB ILE A 51 16.233 -4.948 11.480 1.00 1.00 H new ATOM 0 HG12 ILE A 51 14.027 -6.773 10.484 1.00 1.00 H new ATOM 0 HG13 ILE A 51 13.769 -5.414 11.560 1.00 1.00 H new ATOM 0 HG21 ILE A 51 16.743 -6.076 9.355 1.00 1.00 H new ATOM 0 HG22 ILE A 51 17.785 -6.644 10.682 1.00 1.00 H new ATOM 0 HG23 ILE A 51 16.429 -7.651 10.121 1.00 1.00 H new ATOM 0 HD11 ILE A 51 13.360 -4.759 9.208 1.00 1.00 H new ATOM 0 HD12 ILE A 51 14.753 -3.870 9.868 1.00 1.00 H new ATOM 0 HD13 ILE A 51 15.015 -5.250 8.776 1.00 1.00 H new ATOM 855 N ARG A 52 17.853 -5.979 13.849 1.00 1.00 N ATOM 856 CA ARG A 52 19.185 -6.118 14.412 1.00 1.00 C ATOM 857 C ARG A 52 19.206 -7.308 15.373 1.00 1.00 C ATOM 858 O ARG A 52 20.199 -8.051 15.370 1.00 1.00 O ATOM 859 CB ARG A 52 19.614 -4.856 15.164 1.00 1.00 C ATOM 860 CG ARG A 52 21.070 -4.958 15.622 1.00 1.00 C ATOM 861 CD ARG A 52 21.258 -4.317 16.999 1.00 1.00 C ATOM 862 NE ARG A 52 20.955 -2.870 16.929 1.00 1.00 N ATOM 863 CZ ARG A 52 21.203 -1.996 17.927 1.00 1.00 C ATOM 864 NH1 ARG A 52 21.757 -2.446 19.062 1.00 1.00 N ATOM 865 NH2 ARG A 52 20.899 -0.699 17.787 1.00 1.00 N ATOM 0 H ARG A 52 17.426 -5.066 14.004 1.00 1.00 H new ATOM 0 HA ARG A 52 19.884 -6.278 13.591 1.00 1.00 H new ATOM 0 HB2 ARG A 52 19.492 -3.985 14.520 1.00 1.00 H new ATOM 0 HB3 ARG A 52 18.967 -4.706 16.028 1.00 1.00 H new ATOM 0 HG2 ARG A 52 21.370 -6.005 15.660 1.00 1.00 H new ATOM 0 HG3 ARG A 52 21.718 -4.467 14.897 1.00 1.00 H new ATOM 0 HD2 ARG A 52 20.604 -4.799 17.726 1.00 1.00 H new ATOM 0 HD3 ARG A 52 22.282 -4.466 17.342 1.00 1.00 H new ATOM 0 HE ARG A 52 20.532 -2.511 16.073 1.00 1.00 H new ATOM 0 HH11 ARG A 52 21.984 -3.435 19.161 1.00 1.00 H new ATOM 0 HH12 ARG A 52 21.951 -1.799 19.826 1.00 1.00 H new ATOM 0 HH21 ARG A 52 20.477 -0.365 16.921 1.00 1.00 H new ATOM 0 HH22 ARG A 52 21.090 -0.046 18.547 1.00 1.00 H new ATOM 879 N HIS A 53 18.129 -7.463 16.164 1.00 1.00 N ATOM 880 CA HIS A 53 18.026 -8.552 17.120 1.00 1.00 C ATOM 881 C HIS A 53 18.200 -9.885 16.389 1.00 1.00 C ATOM 882 O HIS A 53 19.007 -10.707 16.846 1.00 1.00 O ATOM 883 CB HIS A 53 16.714 -8.472 17.902 1.00 1.00 C ATOM 884 CG HIS A 53 16.871 -7.961 19.314 1.00 1.00 C ATOM 885 ND1 HIS A 53 15.865 -7.288 19.985 1.00 1.00 N ATOM 886 CD2 HIS A 53 17.926 -8.033 20.176 1.00 1.00 C ATOM 887 CE1 HIS A 53 16.305 -6.973 21.194 1.00 1.00 C ATOM 888 NE2 HIS A 53 17.583 -7.435 21.310 1.00 1.00 N ATOM 0 H HIS A 53 17.322 -6.840 16.151 1.00 1.00 H new ATOM 0 HA HIS A 53 18.823 -8.470 17.859 1.00 1.00 H new ATOM 0 HB2 HIS A 53 16.023 -7.822 17.366 1.00 1.00 H new ATOM 0 HB3 HIS A 53 16.261 -9.463 17.933 1.00 1.00 H new ATOM 0 HD2 HIS A 53 18.879 -8.498 19.970 1.00 1.00 H new ATOM 0 HE1 HIS A 53 15.750 -6.444 21.954 1.00 1.00 H new ATOM 0 HE2 HIS A 53 18.177 -7.337 22.133 1.00 1.00 H new ATOM 896 N ASN A 54 17.452 -10.068 15.286 1.00 1.00 N ATOM 897 CA ASN A 54 17.523 -11.289 14.502 1.00 1.00 C ATOM 898 C ASN A 54 18.768 -11.248 13.613 1.00 1.00 C ATOM 899 O ASN A 54 19.227 -12.319 13.191 1.00 1.00 O ATOM 900 CB ASN A 54 16.299 -11.434 13.594 1.00 1.00 C ATOM 901 CG ASN A 54 15.044 -11.743 14.412 1.00 1.00 C ATOM 902 OD1 ASN A 54 14.568 -10.939 15.196 1.00 1.00 O ATOM 903 ND2 ASN A 54 14.536 -12.952 14.186 1.00 1.00 N ATOM 0 H ASN A 54 16.793 -9.377 14.926 1.00 1.00 H new ATOM 0 HA ASN A 54 17.561 -12.131 15.193 1.00 1.00 H new ATOM 0 HB2 ASN A 54 16.151 -10.515 13.027 1.00 1.00 H new ATOM 0 HB3 ASN A 54 16.471 -12.230 12.870 1.00 1.00 H new ATOM 0 HD21 ASN A 54 13.698 -13.254 14.683 1.00 1.00 H new ATOM 0 HD22 ASN A 54 14.984 -13.576 13.516 1.00 1.00 H new ATOM 910 N LEU A 55 19.281 -10.033 13.352 1.00 1.00 N ATOM 911 CA LEU A 55 20.461 -9.857 12.522 1.00 1.00 C ATOM 912 C LEU A 55 21.633 -10.620 13.142 1.00 1.00 C ATOM 913 O LEU A 55 22.257 -11.422 12.431 1.00 1.00 O ATOM 914 CB LEU A 55 20.744 -8.369 12.301 1.00 1.00 C ATOM 915 CG LEU A 55 21.457 -8.009 10.996 1.00 1.00 C ATOM 916 CD1 LEU A 55 20.639 -7.002 10.184 1.00 1.00 C ATOM 917 CD2 LEU A 55 22.877 -7.508 11.268 1.00 1.00 C ATOM 0 H LEU A 55 18.888 -9.163 13.710 1.00 1.00 H new ATOM 0 HA LEU A 55 20.295 -10.277 11.530 1.00 1.00 H new ATOM 0 HB2 LEU A 55 19.797 -7.830 12.335 1.00 1.00 H new ATOM 0 HB3 LEU A 55 21.347 -8.007 13.133 1.00 1.00 H new ATOM 0 HG LEU A 55 21.544 -8.913 10.393 1.00 1.00 H new ATOM 0 HD11 LEU A 55 21.168 -6.763 9.261 1.00 1.00 H new ATOM 0 HD12 LEU A 55 19.667 -7.432 9.944 1.00 1.00 H new ATOM 0 HD13 LEU A 55 20.499 -6.092 10.768 1.00 1.00 H new ATOM 0 HD21 LEU A 55 23.362 -7.259 10.324 1.00 1.00 H new ATOM 0 HD22 LEU A 55 22.835 -6.621 11.900 1.00 1.00 H new ATOM 0 HD23 LEU A 55 23.447 -8.287 11.774 1.00 1.00 H new ATOM 929 N SER A 56 21.906 -10.360 14.433 1.00 1.00 N ATOM 930 CA SER A 56 22.993 -11.018 15.138 1.00 1.00 C ATOM 931 C SER A 56 22.520 -12.387 15.632 1.00 1.00 C ATOM 932 O SER A 56 23.373 -13.253 15.873 1.00 1.00 O ATOM 933 CB SER A 56 23.491 -10.173 16.313 1.00 1.00 C ATOM 934 OG SER A 56 24.308 -10.927 17.204 1.00 1.00 O ATOM 0 H SER A 56 21.381 -9.695 15.001 1.00 1.00 H new ATOM 0 HA SER A 56 23.827 -11.144 14.448 1.00 1.00 H new ATOM 0 HB2 SER A 56 24.057 -9.323 15.934 1.00 1.00 H new ATOM 0 HB3 SER A 56 22.637 -9.770 16.857 1.00 1.00 H new ATOM 0 HG SER A 56 24.607 -10.352 17.939 1.00 1.00 H new ATOM 940 N LEU A 57 21.192 -12.551 15.770 1.00 1.00 N ATOM 941 CA LEU A 57 20.615 -13.803 16.231 1.00 1.00 C ATOM 942 C LEU A 57 20.502 -14.771 15.052 1.00 1.00 C ATOM 943 O LEU A 57 20.196 -15.950 15.284 1.00 1.00 O ATOM 944 CB LEU A 57 19.288 -13.549 16.948 1.00 1.00 C ATOM 945 CG LEU A 57 18.348 -14.751 17.064 1.00 1.00 C ATOM 946 CD1 LEU A 57 17.600 -14.734 18.398 1.00 1.00 C ATOM 947 CD2 LEU A 57 17.392 -14.817 15.871 1.00 1.00 C ATOM 0 H LEU A 57 20.507 -11.824 15.566 1.00 1.00 H new ATOM 0 HA LEU A 57 21.264 -14.273 16.969 1.00 1.00 H new ATOM 0 HB2 LEU A 57 19.504 -13.184 17.952 1.00 1.00 H new ATOM 0 HB3 LEU A 57 18.762 -12.751 16.425 1.00 1.00 H new ATOM 0 HG LEU A 57 18.950 -15.659 17.044 1.00 1.00 H new ATOM 0 HD11 LEU A 57 16.939 -15.599 18.455 1.00 1.00 H new ATOM 0 HD12 LEU A 57 18.317 -14.771 19.218 1.00 1.00 H new ATOM 0 HD13 LEU A 57 17.010 -13.820 18.473 1.00 1.00 H new ATOM 0 HD21 LEU A 57 16.735 -15.680 15.978 1.00 1.00 H new ATOM 0 HD22 LEU A 57 16.793 -13.907 15.834 1.00 1.00 H new ATOM 0 HD23 LEU A 57 17.966 -14.911 14.949 1.00 1.00 H new ATOM 959 N ASN A 58 20.747 -14.264 13.830 1.00 1.00 N ATOM 960 CA ASN A 58 20.674 -15.079 12.629 1.00 1.00 C ATOM 961 C ASN A 58 22.036 -15.725 12.371 1.00 1.00 C ATOM 962 O ASN A 58 22.216 -16.893 12.747 1.00 1.00 O ATOM 963 CB ASN A 58 20.315 -14.229 11.409 1.00 1.00 C ATOM 964 CG ASN A 58 18.870 -14.481 10.971 1.00 1.00 C ATOM 965 OD1 ASN A 58 18.546 -15.482 10.354 1.00 1.00 O ATOM 966 ND2 ASN A 58 18.023 -13.518 11.324 1.00 1.00 N ATOM 0 H ASN A 58 20.997 -13.290 13.660 1.00 1.00 H new ATOM 0 HA ASN A 58 19.904 -15.836 12.781 1.00 1.00 H new ATOM 0 HB2 ASN A 58 20.448 -13.173 11.645 1.00 1.00 H new ATOM 0 HB3 ASN A 58 20.993 -14.460 10.588 1.00 1.00 H new ATOM 0 HD21 ASN A 58 17.036 -13.592 11.078 1.00 1.00 H new ATOM 0 HD22 ASN A 58 18.361 -12.706 11.840 1.00 1.00 H new ATOM 973 N ASP A 59 22.954 -14.965 11.747 1.00 1.00 N ATOM 974 CA ASP A 59 24.286 -15.460 11.443 1.00 1.00 C ATOM 975 C ASP A 59 25.087 -15.586 12.741 1.00 1.00 C ATOM 976 O ASP A 59 25.625 -16.672 12.999 1.00 1.00 O ATOM 977 CB ASP A 59 25.033 -14.499 10.518 1.00 1.00 C ATOM 978 CG ASP A 59 24.573 -14.517 9.059 1.00 1.00 C ATOM 979 OD1 ASP A 59 23.924 -15.574 8.704 1.00 1.00 O ATOM 980 OD2 ASP A 59 24.822 -13.568 8.299 1.00 1.00 O ATOM 0 H ASP A 59 22.786 -14.005 11.447 1.00 1.00 H new ATOM 0 HA ASP A 59 24.182 -16.427 10.950 1.00 1.00 H new ATOM 0 HB2 ASP A 59 24.923 -13.486 10.906 1.00 1.00 H new ATOM 0 HB3 ASP A 59 26.096 -14.739 10.551 1.00 1.00 H new ATOM 985 N CYS A 60 25.148 -14.490 13.519 1.00 1.00 N ATOM 986 CA CYS A 60 25.876 -14.478 14.776 1.00 1.00 C ATOM 987 C CYS A 60 27.277 -13.909 14.544 1.00 1.00 C ATOM 988 O CYS A 60 28.250 -14.540 14.982 1.00 1.00 O ATOM 989 CB CYS A 60 25.924 -15.875 15.400 1.00 1.00 C ATOM 990 SG CYS A 60 24.344 -16.772 15.380 1.00 1.00 S ATOM 0 H CYS A 60 24.697 -13.605 13.288 1.00 1.00 H new ATOM 0 HA CYS A 60 25.355 -13.837 15.487 1.00 1.00 H new ATOM 0 HB2 CYS A 60 26.670 -16.469 14.871 1.00 1.00 H new ATOM 0 HB3 CYS A 60 26.262 -15.785 16.432 1.00 1.00 H new ATOM 0 HG CYS A 60 24.231 -17.426 14.262 1.00 1.00 H new ATOM 996 N PHE A 61 27.351 -12.747 13.870 1.00 1.00 N ATOM 997 CA PHE A 61 28.622 -12.102 13.585 1.00 1.00 C ATOM 998 C PHE A 61 29.061 -11.289 14.804 1.00 1.00 C ATOM 999 O PHE A 61 28.396 -11.382 15.846 1.00 1.00 O ATOM 1000 CB PHE A 61 28.464 -11.195 12.350 1.00 1.00 C ATOM 1001 CG PHE A 61 27.027 -11.002 11.883 1.00 1.00 C ATOM 1002 CD1 PHE A 61 26.075 -10.392 12.733 1.00 1.00 C ATOM 1003 CD2 PHE A 61 26.636 -11.439 10.596 1.00 1.00 C ATOM 1004 CE1 PHE A 61 24.744 -10.219 12.298 1.00 1.00 C ATOM 1005 CE2 PHE A 61 25.304 -11.266 10.163 1.00 1.00 C ATOM 1006 CZ PHE A 61 24.358 -10.655 11.013 1.00 1.00 C ATOM 0 H PHE A 61 26.537 -12.244 13.517 1.00 1.00 H new ATOM 0 HA PHE A 61 29.385 -12.851 13.373 1.00 1.00 H new ATOM 0 HB2 PHE A 61 28.893 -10.219 12.576 1.00 1.00 H new ATOM 0 HB3 PHE A 61 29.045 -11.616 11.530 1.00 1.00 H new ATOM 0 HD1 PHE A 61 26.368 -10.058 13.717 1.00 1.00 H new ATOM 0 HD2 PHE A 61 27.358 -11.906 9.943 1.00 1.00 H new ATOM 0 HE1 PHE A 61 24.020 -9.752 12.949 1.00 1.00 H new ATOM 0 HE2 PHE A 61 25.008 -11.602 9.180 1.00 1.00 H new ATOM 0 HZ PHE A 61 23.339 -10.521 10.680 1.00 1.00 H new ATOM 1016 N VAL A 62 30.155 -10.521 14.653 1.00 1.00 N ATOM 1017 CA VAL A 62 30.675 -9.700 15.733 1.00 1.00 C ATOM 1018 C VAL A 62 30.628 -8.228 15.319 1.00 1.00 C ATOM 1019 O VAL A 62 31.192 -7.893 14.267 1.00 1.00 O ATOM 1020 CB VAL A 62 32.081 -10.169 16.116 1.00 1.00 C ATOM 1021 CG1 VAL A 62 32.025 -11.471 16.917 1.00 1.00 C ATOM 1022 CG2 VAL A 62 32.963 -10.325 14.875 1.00 1.00 C ATOM 0 H VAL A 62 30.689 -10.460 13.786 1.00 1.00 H new ATOM 0 HA VAL A 62 30.057 -9.806 16.624 1.00 1.00 H new ATOM 0 HB VAL A 62 32.529 -9.405 16.751 1.00 1.00 H new ATOM 0 HG11 VAL A 62 33.037 -11.782 17.176 1.00 1.00 H new ATOM 0 HG12 VAL A 62 31.449 -11.313 17.829 1.00 1.00 H new ATOM 0 HG13 VAL A 62 31.549 -12.247 16.317 1.00 1.00 H new ATOM 0 HG21 VAL A 62 33.956 -10.659 15.174 1.00 1.00 H new ATOM 0 HG22 VAL A 62 32.520 -11.061 14.204 1.00 1.00 H new ATOM 0 HG23 VAL A 62 33.042 -9.367 14.362 1.00 1.00 H new ATOM 1032 N LYS A 63 29.967 -7.393 16.140 1.00 1.00 N ATOM 1033 CA LYS A 63 29.849 -5.972 15.860 1.00 1.00 C ATOM 1034 C LYS A 63 30.890 -5.207 16.678 1.00 1.00 C ATOM 1035 O LYS A 63 31.202 -5.646 17.795 1.00 1.00 O ATOM 1036 CB LYS A 63 28.413 -5.497 16.094 1.00 1.00 C ATOM 1037 CG LYS A 63 28.392 -4.152 16.821 1.00 1.00 C ATOM 1038 CD LYS A 63 27.087 -3.401 16.548 1.00 1.00 C ATOM 1039 CE LYS A 63 26.191 -3.390 17.788 1.00 1.00 C ATOM 1040 NZ LYS A 63 26.494 -2.222 18.632 1.00 1.00 N ATOM 0 H LYS A 63 29.509 -7.690 17.002 1.00 1.00 H new ATOM 0 HA LYS A 63 30.059 -5.772 14.809 1.00 1.00 H new ATOM 0 HB2 LYS A 63 27.896 -5.406 15.139 1.00 1.00 H new ATOM 0 HB3 LYS A 63 27.872 -6.240 16.680 1.00 1.00 H new ATOM 0 HG2 LYS A 63 28.506 -4.312 17.893 1.00 1.00 H new ATOM 0 HG3 LYS A 63 29.239 -3.547 16.497 1.00 1.00 H new ATOM 0 HD2 LYS A 63 27.309 -2.377 16.246 1.00 1.00 H new ATOM 0 HD3 LYS A 63 26.560 -3.871 15.718 1.00 1.00 H new ATOM 0 HE2 LYS A 63 25.144 -3.367 17.487 1.00 1.00 H new ATOM 0 HE3 LYS A 63 26.338 -4.307 18.359 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 25.877 -2.229 19.469 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 27.488 -2.261 18.934 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 26.331 -1.350 18.089 1.00 1.00 H new ATOM 1054 N ILE A 64 31.400 -4.096 16.117 1.00 1.00 N ATOM 1055 CA ILE A 64 32.396 -3.280 16.791 1.00 1.00 C ATOM 1056 C ILE A 64 31.744 -1.983 17.276 1.00 1.00 C ATOM 1057 O ILE A 64 31.576 -1.067 16.458 1.00 1.00 O ATOM 1058 CB ILE A 64 33.608 -3.057 15.885 1.00 1.00 C ATOM 1059 CG1 ILE A 64 33.205 -2.337 14.596 1.00 1.00 C ATOM 1060 CG2 ILE A 64 34.331 -4.376 15.602 1.00 1.00 C ATOM 1061 CD1 ILE A 64 34.003 -1.044 14.418 1.00 1.00 C ATOM 0 H ILE A 64 31.130 -3.751 15.196 1.00 1.00 H new ATOM 0 HA ILE A 64 32.777 -3.795 17.673 1.00 1.00 H new ATOM 0 HB ILE A 64 34.311 -2.410 16.409 1.00 1.00 H new ATOM 0 HG12 ILE A 64 33.373 -2.993 13.741 1.00 1.00 H new ATOM 0 HG13 ILE A 64 32.139 -2.110 14.620 1.00 1.00 H new ATOM 0 HG21 ILE A 64 35.189 -4.189 14.956 1.00 1.00 H new ATOM 0 HG22 ILE A 64 34.672 -4.813 16.541 1.00 1.00 H new ATOM 0 HG23 ILE A 64 33.648 -5.067 15.108 1.00 1.00 H new ATOM 0 HD11 ILE A 64 33.697 -0.552 13.495 1.00 1.00 H new ATOM 0 HD12 ILE A 64 33.814 -0.381 15.262 1.00 1.00 H new ATOM 0 HD13 ILE A 64 35.067 -1.277 14.370 1.00 1.00 H new ATOM 1073 N PRO A 65 31.396 -1.933 18.574 1.00 1.00 N ATOM 1074 CA PRO A 65 30.768 -0.777 19.192 1.00 1.00 C ATOM 1075 C PRO A 65 31.785 0.345 19.415 1.00 1.00 C ATOM 1076 O PRO A 65 32.426 0.357 20.476 1.00 1.00 O ATOM 1077 CB PRO A 65 30.168 -1.301 20.486 1.00 1.00 C ATOM 1078 CG PRO A 65 30.875 -2.616 20.772 1.00 1.00 C ATOM 1079 CD PRO A 65 31.610 -3.034 19.508 1.00 1.00 C ATOM 0 HA PRO A 65 29.998 -0.330 18.564 1.00 1.00 H new ATOM 0 HB2 PRO A 65 30.317 -0.592 21.301 1.00 1.00 H new ATOM 0 HB3 PRO A 65 29.093 -1.450 20.386 1.00 1.00 H new ATOM 0 HG2 PRO A 65 31.574 -2.501 21.600 1.00 1.00 H new ATOM 0 HG3 PRO A 65 30.156 -3.380 21.066 1.00 1.00 H new ATOM 0 HD2 PRO A 65 32.672 -3.190 19.700 1.00 1.00 H new ATOM 0 HD3 PRO A 65 31.217 -3.971 19.113 1.00 1.00 H new ATOM 1087 N ARG A 66 31.909 1.249 18.427 1.00 1.00 N ATOM 1088 CA ARG A 66 32.839 2.363 18.516 1.00 1.00 C ATOM 1089 C ARG A 66 34.269 1.824 18.584 1.00 1.00 C ATOM 1090 O ARG A 66 34.879 1.904 19.660 1.00 1.00 O ATOM 1091 CB ARG A 66 32.568 3.227 19.749 1.00 1.00 C ATOM 1092 CG ARG A 66 33.722 4.198 20.003 1.00 1.00 C ATOM 1093 CD ARG A 66 33.200 5.566 20.447 1.00 1.00 C ATOM 1094 NE ARG A 66 33.841 6.635 19.650 1.00 1.00 N ATOM 1095 CZ ARG A 66 33.377 7.900 19.569 1.00 1.00 C ATOM 1096 NH1 ARG A 66 32.269 8.230 20.246 1.00 1.00 N ATOM 1097 NH2 ARG A 66 34.015 8.813 18.824 1.00 1.00 N ATOM 0 H ARG A 66 31.371 1.220 17.561 1.00 1.00 H new ATOM 0 HA ARG A 66 32.707 2.984 17.630 1.00 1.00 H new ATOM 0 HB2 ARG A 66 31.642 3.785 19.610 1.00 1.00 H new ATOM 0 HB3 ARG A 66 32.427 2.588 20.621 1.00 1.00 H new ATOM 0 HG2 ARG A 66 34.383 3.791 20.768 1.00 1.00 H new ATOM 0 HG3 ARG A 66 34.316 4.308 19.095 1.00 1.00 H new ATOM 0 HD2 ARG A 66 32.118 5.609 20.324 1.00 1.00 H new ATOM 0 HD3 ARG A 66 33.407 5.717 21.506 1.00 1.00 H new ATOM 0 HE ARG A 66 34.686 6.402 19.129 1.00 1.00 H new ATOM 0 HH11 ARG A 66 31.789 7.530 20.812 1.00 1.00 H new ATOM 0 HH12 ARG A 66 31.905 9.182 20.196 1.00 1.00 H new ATOM 0 HH21 ARG A 66 34.859 8.554 18.312 1.00 1.00 H new ATOM 0 HH22 ARG A 66 33.657 9.767 18.769 1.00 1.00 H new ATOM 1111 N GLU A 67 34.767 1.293 17.453 1.00 1.00 N ATOM 1112 CA GLU A 67 36.112 0.748 17.386 1.00 1.00 C ATOM 1113 C GLU A 67 37.125 1.895 17.393 1.00 1.00 C ATOM 1114 O GLU A 67 36.886 2.897 16.703 1.00 1.00 O ATOM 1115 CB GLU A 67 36.298 -0.139 16.153 1.00 1.00 C ATOM 1116 CG GLU A 67 37.751 -0.600 16.022 1.00 1.00 C ATOM 1117 CD GLU A 67 37.967 -1.939 16.731 1.00 1.00 C ATOM 1118 OE1 GLU A 67 37.285 -2.099 17.814 1.00 1.00 O ATOM 1119 OE2 GLU A 67 38.753 -2.772 16.255 1.00 1.00 O ATOM 0 H GLU A 67 34.247 1.235 16.577 1.00 1.00 H new ATOM 0 HA GLU A 67 36.277 0.117 18.260 1.00 1.00 H new ATOM 0 HB2 GLU A 67 35.642 -1.007 16.223 1.00 1.00 H new ATOM 0 HB3 GLU A 67 36.005 0.410 15.258 1.00 1.00 H new ATOM 0 HG2 GLU A 67 38.012 -0.696 14.968 1.00 1.00 H new ATOM 0 HG3 GLU A 67 38.415 0.152 16.448 1.00 1.00 H new ATOM 1126 N PRO A 68 38.217 1.729 18.160 1.00 1.00 N ATOM 1127 CA PRO A 68 39.272 2.721 18.278 1.00 1.00 C ATOM 1128 C PRO A 68 40.149 2.740 17.024 1.00 1.00 C ATOM 1129 O PRO A 68 41.298 2.283 17.101 1.00 1.00 O ATOM 1130 CB PRO A 68 40.038 2.333 19.533 1.00 1.00 C ATOM 1131 CG PRO A 68 39.677 0.882 19.810 1.00 1.00 C ATOM 1132 CD PRO A 68 38.465 0.534 18.961 1.00 1.00 C ATOM 0 HA PRO A 68 38.887 3.737 18.361 1.00 1.00 H new ATOM 0 HB2 PRO A 68 41.112 2.447 19.386 1.00 1.00 H new ATOM 0 HB3 PRO A 68 39.762 2.971 20.372 1.00 1.00 H new ATOM 0 HG2 PRO A 68 40.514 0.227 19.567 1.00 1.00 H new ATOM 0 HG3 PRO A 68 39.456 0.739 20.868 1.00 1.00 H new ATOM 0 HD2 PRO A 68 38.660 -0.333 18.329 1.00 1.00 H new ATOM 0 HD3 PRO A 68 37.604 0.288 19.582 1.00 1.00 H new ATOM 1140 N GLY A 69 39.599 3.261 15.913 1.00 1.00 N ATOM 1141 CA GLY A 69 40.326 3.338 14.658 1.00 1.00 C ATOM 1142 C GLY A 69 39.472 4.075 13.623 1.00 1.00 C ATOM 1143 O GLY A 69 40.026 4.899 12.881 1.00 1.00 O ATOM 0 H GLY A 69 38.650 3.633 15.871 1.00 1.00 H new ATOM 0 HA2 GLY A 69 41.272 3.860 14.804 1.00 1.00 H new ATOM 0 HA3 GLY A 69 40.566 2.336 14.301 1.00 1.00 H new ATOM 1147 N ASN A 70 38.162 3.770 13.596 1.00 1.00 N ATOM 1148 CA ASN A 70 37.244 4.398 12.661 1.00 1.00 C ATOM 1149 C ASN A 70 36.879 5.793 13.173 1.00 1.00 C ATOM 1150 O ASN A 70 37.061 6.048 14.373 1.00 1.00 O ATOM 1151 CB ASN A 70 35.952 3.589 12.530 1.00 1.00 C ATOM 1152 CG ASN A 70 36.128 2.433 11.544 1.00 1.00 C ATOM 1153 OD1 ASN A 70 36.338 2.621 10.357 1.00 1.00 O ATOM 1154 ND2 ASN A 70 36.031 1.229 12.100 1.00 1.00 N ATOM 0 H ASN A 70 37.726 3.089 14.218 1.00 1.00 H new ATOM 0 HA ASN A 70 37.735 4.452 11.689 1.00 1.00 H new ATOM 0 HB2 ASN A 70 35.662 3.199 13.506 1.00 1.00 H new ATOM 0 HB3 ASN A 70 35.144 4.239 12.194 1.00 1.00 H new ATOM 0 HD21 ASN A 70 36.134 0.392 11.526 1.00 1.00 H new ATOM 0 HD22 ASN A 70 35.854 1.142 13.101 1.00 1.00 H new ATOM 1161 N PRO A 71 36.378 6.654 12.269 1.00 1.00 N ATOM 1162 CA PRO A 71 35.981 8.014 12.590 1.00 1.00 C ATOM 1163 C PRO A 71 34.654 8.033 13.351 1.00 1.00 C ATOM 1164 O PRO A 71 34.557 8.760 14.350 1.00 1.00 O ATOM 1165 CB PRO A 71 35.909 8.730 11.251 1.00 1.00 C ATOM 1166 CG PRO A 71 35.813 7.637 10.199 1.00 1.00 C ATOM 1167 CD PRO A 71 36.178 6.319 10.862 1.00 1.00 C ATOM 0 HA PRO A 71 36.687 8.512 13.255 1.00 1.00 H new ATOM 0 HB2 PRO A 71 35.043 9.391 11.208 1.00 1.00 H new ATOM 0 HB3 PRO A 71 36.792 9.349 11.091 1.00 1.00 H new ATOM 0 HG2 PRO A 71 34.805 7.591 9.787 1.00 1.00 H new ATOM 0 HG3 PRO A 71 36.487 7.846 9.368 1.00 1.00 H new ATOM 0 HD2 PRO A 71 35.385 5.581 10.740 1.00 1.00 H new ATOM 0 HD3 PRO A 71 37.081 5.892 10.424 1.00 1.00 H new ATOM 1175 N GLY A 72 33.674 7.247 12.871 1.00 1.00 N ATOM 1176 CA GLY A 72 32.367 7.174 13.501 1.00 1.00 C ATOM 1177 C GLY A 72 31.281 7.309 12.431 1.00 1.00 C ATOM 1178 O GLY A 72 30.619 8.356 12.393 1.00 1.00 O ATOM 0 H GLY A 72 33.774 6.656 12.046 1.00 1.00 H new ATOM 0 HA2 GLY A 72 32.258 6.227 14.029 1.00 1.00 H new ATOM 0 HA3 GLY A 72 32.263 7.966 14.243 1.00 1.00 H new ATOM 1182 N LYS A 73 31.123 6.265 11.599 1.00 1.00 N ATOM 1183 CA LYS A 73 30.128 6.268 10.540 1.00 1.00 C ATOM 1184 C LYS A 73 29.178 5.085 10.736 1.00 1.00 C ATOM 1185 O LYS A 73 27.973 5.318 10.908 1.00 1.00 O ATOM 1186 CB LYS A 73 30.805 6.293 9.168 1.00 1.00 C ATOM 1187 CG LYS A 73 31.360 7.684 8.856 1.00 1.00 C ATOM 1188 CD LYS A 73 31.542 7.876 7.349 1.00 1.00 C ATOM 1189 CE LYS A 73 31.741 9.353 7.004 1.00 1.00 C ATOM 1190 NZ LYS A 73 30.478 10.092 7.156 1.00 1.00 N ATOM 0 H LYS A 73 31.679 5.411 11.649 1.00 1.00 H new ATOM 0 HA LYS A 73 29.524 7.174 10.587 1.00 1.00 H new ATOM 0 HB2 LYS A 73 31.613 5.561 9.144 1.00 1.00 H new ATOM 0 HB3 LYS A 73 30.089 6.003 8.400 1.00 1.00 H new ATOM 0 HG2 LYS A 73 30.683 8.445 9.244 1.00 1.00 H new ATOM 0 HG3 LYS A 73 32.316 7.820 9.362 1.00 1.00 H new ATOM 0 HD2 LYS A 73 32.402 7.300 7.007 1.00 1.00 H new ATOM 0 HD3 LYS A 73 30.670 7.490 6.822 1.00 1.00 H new ATOM 0 HE2 LYS A 73 32.502 9.785 7.653 1.00 1.00 H new ATOM 0 HE3 LYS A 73 32.104 9.448 5.981 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 30.540 10.994 6.642 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 29.696 9.526 6.769 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 30.304 10.279 8.164 1.00 1.00 H new ATOM 1204 N GLY A 74 29.729 3.858 10.706 1.00 1.00 N ATOM 1205 CA GLY A 74 28.937 2.653 10.878 1.00 1.00 C ATOM 1206 C GLY A 74 29.710 1.659 11.746 1.00 1.00 C ATOM 1207 O GLY A 74 30.478 2.105 12.612 1.00 1.00 O ATOM 0 H GLY A 74 30.724 3.687 10.563 1.00 1.00 H new ATOM 0 HA2 GLY A 74 27.982 2.895 11.345 1.00 1.00 H new ATOM 0 HA3 GLY A 74 28.714 2.209 9.908 1.00 1.00 H new ATOM 1211 N ASN A 75 29.497 0.353 11.503 1.00 1.00 N ATOM 1212 CA ASN A 75 30.170 -0.691 12.257 1.00 1.00 C ATOM 1213 C ASN A 75 30.778 -1.705 11.285 1.00 1.00 C ATOM 1214 O ASN A 75 30.559 -1.564 10.073 1.00 1.00 O ATOM 1215 CB ASN A 75 29.188 -1.435 13.164 1.00 1.00 C ATOM 1216 CG ASN A 75 28.346 -0.454 13.982 1.00 1.00 C ATOM 1217 OD1 ASN A 75 27.499 0.257 13.466 1.00 1.00 O ATOM 1218 ND2 ASN A 75 28.624 -0.455 15.282 1.00 1.00 N ATOM 0 H ASN A 75 28.860 0.007 10.786 1.00 1.00 H new ATOM 0 HA ASN A 75 30.941 -0.222 12.868 1.00 1.00 H new ATOM 0 HB2 ASN A 75 28.535 -2.064 12.560 1.00 1.00 H new ATOM 0 HB3 ASN A 75 29.736 -2.096 13.835 1.00 1.00 H new ATOM 0 HD21 ASN A 75 28.116 0.165 15.913 1.00 1.00 H new ATOM 0 HD22 ASN A 75 29.346 -1.076 15.649 1.00 1.00 H new ATOM 1225 N TYR A 76 31.516 -2.690 11.827 1.00 1.00 N ATOM 1226 CA TYR A 76 32.125 -3.682 10.958 1.00 1.00 C ATOM 1227 C TYR A 76 31.729 -5.082 11.433 1.00 1.00 C ATOM 1228 O TYR A 76 32.552 -5.724 12.101 1.00 1.00 O ATOM 1229 CB TYR A 76 33.653 -3.497 10.931 1.00 1.00 C ATOM 1230 CG TYR A 76 34.121 -2.202 10.282 1.00 1.00 C ATOM 1231 CD1 TYR A 76 33.682 -0.958 10.789 1.00 1.00 C ATOM 1232 CD2 TYR A 76 35.000 -2.234 9.174 1.00 1.00 C ATOM 1233 CE1 TYR A 76 34.115 0.245 10.192 1.00 1.00 C ATOM 1234 CE2 TYR A 76 35.434 -1.031 8.578 1.00 1.00 C ATOM 1235 CZ TYR A 76 34.991 0.210 9.086 1.00 1.00 C ATOM 1236 OH TYR A 76 35.407 1.377 8.510 1.00 1.00 O ATOM 0 H TYR A 76 31.694 -2.810 12.824 1.00 1.00 H new ATOM 0 HA TYR A 76 31.765 -3.554 9.937 1.00 1.00 H new ATOM 0 HB2 TYR A 76 34.029 -3.532 11.954 1.00 1.00 H new ATOM 0 HB3 TYR A 76 34.099 -4.337 10.398 1.00 1.00 H new ATOM 0 HD1 TYR A 76 33.013 -0.928 11.636 1.00 1.00 H new ATOM 0 HD2 TYR A 76 35.340 -3.182 8.783 1.00 1.00 H new ATOM 0 HE1 TYR A 76 33.776 1.193 10.582 1.00 1.00 H new ATOM 0 HE2 TYR A 76 36.106 -1.059 7.733 1.00 1.00 H new ATOM 0 HH TYR A 76 35.996 1.856 9.130 1.00 1.00 H new ATOM 1246 N TRP A 77 30.501 -5.516 11.096 1.00 1.00 N ATOM 1247 CA TRP A 77 30.010 -6.823 11.499 1.00 1.00 C ATOM 1248 C TRP A 77 30.731 -7.904 10.692 1.00 1.00 C ATOM 1249 O TRP A 77 30.755 -7.802 9.457 1.00 1.00 O ATOM 1250 CB TRP A 77 28.488 -6.884 11.354 1.00 1.00 C ATOM 1251 CG TRP A 77 27.739 -5.874 12.225 1.00 1.00 C ATOM 1252 CD1 TRP A 77 28.115 -4.632 12.558 1.00 1.00 C ATOM 1253 CD2 TRP A 77 26.460 -6.073 12.866 1.00 1.00 C ATOM 1254 NE1 TRP A 77 27.177 -4.018 13.363 1.00 1.00 N ATOM 1255 CE2 TRP A 77 26.139 -4.922 13.555 1.00 1.00 C ATOM 1256 CE3 TRP A 77 25.604 -7.188 12.862 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 24.958 -4.774 14.292 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 24.428 -7.025 13.603 1.00 1.00 C ATOM 1259 CH2 TRP A 77 24.090 -5.872 14.303 1.00 1.00 C ATOM 0 H TRP A 77 29.838 -4.971 10.544 1.00 1.00 H new ATOM 0 HA TRP A 77 30.227 -7.002 12.552 1.00 1.00 H new ATOM 0 HB2 TRP A 77 28.226 -6.713 10.310 1.00 1.00 H new ATOM 0 HB3 TRP A 77 28.149 -7.889 11.607 1.00 1.00 H new ATOM 0 HD1 TRP A 77 29.036 -4.169 12.237 1.00 1.00 H new ATOM 0 HE1 TRP A 77 27.235 -3.075 13.746 1.00 1.00 H new ATOM 0 HE3 TRP A 77 25.836 -8.098 12.329 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 24.729 -3.862 14.823 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 23.735 -7.852 13.633 1.00 1.00 H new ATOM 0 HH2 TRP A 77 23.162 -5.824 14.853 1.00 1.00 H new ATOM 1270 N THR A 78 31.296 -8.903 11.394 1.00 1.00 N ATOM 1271 CA THR A 78 32.010 -9.991 10.747 1.00 1.00 C ATOM 1272 C THR A 78 31.395 -11.325 11.175 1.00 1.00 C ATOM 1273 O THR A 78 31.130 -11.494 12.375 1.00 1.00 O ATOM 1274 CB THR A 78 33.496 -9.870 11.087 1.00 1.00 C ATOM 1275 OG1 THR A 78 33.824 -8.527 10.742 1.00 1.00 O ATOM 1276 CG2 THR A 78 34.379 -10.717 10.167 1.00 1.00 C ATOM 0 H THR A 78 31.265 -8.969 12.411 1.00 1.00 H new ATOM 0 HA THR A 78 31.920 -9.940 9.662 1.00 1.00 H new ATOM 0 HB THR A 78 33.656 -10.171 12.122 1.00 1.00 H new ATOM 0 HG1 THR A 78 33.713 -8.401 9.777 1.00 1.00 H new ATOM 0 HG21 THR A 78 35.424 -10.594 10.452 1.00 1.00 H new ATOM 0 HG22 THR A 78 34.099 -11.766 10.258 1.00 1.00 H new ATOM 0 HG23 THR A 78 34.244 -10.394 9.135 1.00 1.00 H new ATOM 1284 N LEU A 79 31.183 -12.230 10.203 1.00 1.00 N ATOM 1285 CA LEU A 79 30.605 -13.535 10.479 1.00 1.00 C ATOM 1286 C LEU A 79 31.629 -14.396 11.220 1.00 1.00 C ATOM 1287 O LEU A 79 32.782 -14.460 10.769 1.00 1.00 O ATOM 1288 CB LEU A 79 30.084 -14.172 9.189 1.00 1.00 C ATOM 1289 CG LEU A 79 28.563 -14.255 9.049 1.00 1.00 C ATOM 1290 CD1 LEU A 79 28.052 -13.254 8.011 1.00 1.00 C ATOM 1291 CD2 LEU A 79 28.118 -15.685 8.733 1.00 1.00 C ATOM 0 H LEU A 79 31.408 -12.070 9.221 1.00 1.00 H new ATOM 0 HA LEU A 79 29.738 -13.438 11.133 1.00 1.00 H new ATOM 0 HB2 LEU A 79 30.476 -13.607 8.344 1.00 1.00 H new ATOM 0 HB3 LEU A 79 30.491 -15.180 9.115 1.00 1.00 H new ATOM 0 HG LEU A 79 28.117 -13.983 10.006 1.00 1.00 H new ATOM 0 HD11 LEU A 79 26.968 -13.334 7.931 1.00 1.00 H new ATOM 0 HD12 LEU A 79 28.320 -12.243 8.318 1.00 1.00 H new ATOM 0 HD13 LEU A 79 28.504 -13.471 7.043 1.00 1.00 H new ATOM 0 HD21 LEU A 79 27.033 -15.716 8.639 1.00 1.00 H new ATOM 0 HD22 LEU A 79 28.573 -16.009 7.797 1.00 1.00 H new ATOM 0 HD23 LEU A 79 28.431 -16.350 9.538 1.00 1.00 H new ATOM 1303 N ASP A 80 31.197 -15.029 12.325 1.00 1.00 N ATOM 1304 CA ASP A 80 32.070 -15.877 13.118 1.00 1.00 C ATOM 1305 C ASP A 80 32.230 -17.230 12.423 1.00 1.00 C ATOM 1306 O ASP A 80 31.249 -17.711 11.835 1.00 1.00 O ATOM 1307 CB ASP A 80 31.481 -16.126 14.509 1.00 1.00 C ATOM 1308 CG ASP A 80 32.347 -16.983 15.434 1.00 1.00 C ATOM 1309 OD1 ASP A 80 32.573 -18.182 15.014 1.00 1.00 O ATOM 1310 OD2 ASP A 80 32.785 -16.529 16.501 1.00 1.00 O ATOM 0 H ASP A 80 30.243 -14.961 12.680 1.00 1.00 H new ATOM 0 HA ASP A 80 33.031 -15.372 13.218 1.00 1.00 H new ATOM 0 HB2 ASP A 80 31.304 -15.164 14.990 1.00 1.00 H new ATOM 0 HB3 ASP A 80 30.510 -16.608 14.395 1.00 1.00 H new ATOM 1315 N PRO A 81 33.442 -17.808 12.502 1.00 1.00 N ATOM 1316 CA PRO A 81 33.759 -19.091 11.898 1.00 1.00 C ATOM 1317 C PRO A 81 33.152 -20.242 12.703 1.00 1.00 C ATOM 1318 O PRO A 81 33.906 -21.132 13.119 1.00 1.00 O ATOM 1319 CB PRO A 81 35.278 -19.137 11.848 1.00 1.00 C ATOM 1320 CG PRO A 81 35.759 -18.094 12.843 1.00 1.00 C ATOM 1321 CD PRO A 81 34.575 -17.212 13.203 1.00 1.00 C ATOM 0 HA PRO A 81 33.337 -19.201 10.899 1.00 1.00 H new ATOM 0 HB2 PRO A 81 35.648 -20.128 12.111 1.00 1.00 H new ATOM 0 HB3 PRO A 81 35.643 -18.917 10.845 1.00 1.00 H new ATOM 0 HG2 PRO A 81 36.162 -18.574 13.735 1.00 1.00 H new ATOM 0 HG3 PRO A 81 36.562 -17.497 12.412 1.00 1.00 H new ATOM 0 HD2 PRO A 81 34.409 -17.193 14.280 1.00 1.00 H new ATOM 0 HD3 PRO A 81 34.738 -16.182 12.887 1.00 1.00 H new ATOM 1329 N GLN A 82 31.822 -20.201 12.902 1.00 1.00 N ATOM 1330 CA GLN A 82 31.124 -21.233 13.650 1.00 1.00 C ATOM 1331 C GLN A 82 30.032 -21.844 12.769 1.00 1.00 C ATOM 1332 O GLN A 82 30.027 -23.072 12.602 1.00 1.00 O ATOM 1333 CB GLN A 82 30.536 -20.683 14.951 1.00 1.00 C ATOM 1334 CG GLN A 82 30.797 -21.639 16.117 1.00 1.00 C ATOM 1335 CD GLN A 82 32.167 -21.376 16.744 1.00 1.00 C ATOM 1336 OE1 GLN A 82 33.123 -22.105 16.537 1.00 1.00 O ATOM 1337 NE2 GLN A 82 32.209 -20.297 17.521 1.00 1.00 N ATOM 0 H GLN A 82 31.218 -19.458 12.550 1.00 1.00 H new ATOM 0 HA GLN A 82 31.838 -22.008 13.928 1.00 1.00 H new ATOM 0 HB2 GLN A 82 30.974 -19.709 15.169 1.00 1.00 H new ATOM 0 HB3 GLN A 82 29.463 -20.531 14.834 1.00 1.00 H new ATOM 0 HG2 GLN A 82 30.019 -21.520 16.871 1.00 1.00 H new ATOM 0 HG3 GLN A 82 30.745 -22.670 15.766 1.00 1.00 H new ATOM 0 HE21 GLN A 82 31.371 -19.730 17.652 1.00 1.00 H new ATOM 0 HE22 GLN A 82 33.079 -20.037 17.986 1.00 1.00 H new ATOM 1346 N SER A 83 29.142 -20.989 12.233 1.00 1.00 N ATOM 1347 CA SER A 83 28.057 -21.442 11.379 1.00 1.00 C ATOM 1348 C SER A 83 28.596 -21.696 9.969 1.00 1.00 C ATOM 1349 O SER A 83 28.686 -22.868 9.575 1.00 1.00 O ATOM 1350 CB SER A 83 26.916 -20.424 11.335 1.00 1.00 C ATOM 1351 OG SER A 83 25.741 -20.965 10.739 1.00 1.00 O ATOM 0 H SER A 83 29.163 -19.980 12.384 1.00 1.00 H new ATOM 0 HA SER A 83 27.655 -22.367 11.792 1.00 1.00 H new ATOM 0 HB2 SER A 83 26.688 -20.091 12.347 1.00 1.00 H new ATOM 0 HB3 SER A 83 27.235 -19.545 10.774 1.00 1.00 H new ATOM 0 HG SER A 83 25.035 -20.285 10.731 1.00 1.00 H new ATOM 1357 N GLU A 84 28.937 -20.612 9.250 1.00 1.00 N ATOM 1358 CA GLU A 84 29.461 -20.718 7.899 1.00 1.00 C ATOM 1359 C GLU A 84 28.529 -21.597 7.063 1.00 1.00 C ATOM 1360 O GLU A 84 28.964 -22.080 6.008 1.00 1.00 O ATOM 1361 CB GLU A 84 30.888 -21.269 7.891 1.00 1.00 C ATOM 1362 CG GLU A 84 30.907 -22.748 8.282 1.00 1.00 C ATOM 1363 CD GLU A 84 32.158 -23.443 7.738 1.00 1.00 C ATOM 1364 OE1 GLU A 84 32.363 -23.285 6.475 1.00 1.00 O ATOM 1365 OE2 GLU A 84 32.884 -24.097 8.501 1.00 1.00 O ATOM 0 H GLU A 84 28.855 -19.655 9.593 1.00 1.00 H new ATOM 0 HA GLU A 84 29.504 -19.721 7.461 1.00 1.00 H new ATOM 0 HB2 GLU A 84 31.324 -21.146 6.899 1.00 1.00 H new ATOM 0 HB3 GLU A 84 31.506 -20.698 8.584 1.00 1.00 H new ATOM 0 HG2 GLU A 84 30.878 -22.841 9.368 1.00 1.00 H new ATOM 0 HG3 GLU A 84 30.015 -23.242 7.896 1.00 1.00 H new ATOM 1372 N ASP A 85 27.287 -21.784 7.542 1.00 1.00 N ATOM 1373 CA ASP A 85 26.306 -22.598 6.844 1.00 1.00 C ATOM 1374 C ASP A 85 25.626 -21.753 5.764 1.00 1.00 C ATOM 1375 O ASP A 85 25.421 -22.268 4.655 1.00 1.00 O ATOM 1376 CB ASP A 85 25.224 -23.101 7.802 1.00 1.00 C ATOM 1377 CG ASP A 85 25.605 -24.339 8.615 1.00 1.00 C ATOM 1378 OD1 ASP A 85 26.760 -24.790 8.587 1.00 1.00 O ATOM 1379 OD2 ASP A 85 24.646 -24.853 9.307 1.00 1.00 O ATOM 0 H ASP A 85 26.949 -21.376 8.414 1.00 1.00 H new ATOM 0 HA ASP A 85 26.825 -23.451 6.407 1.00 1.00 H new ATOM 0 HB2 ASP A 85 24.968 -22.297 8.492 1.00 1.00 H new ATOM 0 HB3 ASP A 85 24.326 -23.325 7.226 1.00 1.00 H new ATOM 1384 N MET A 86 25.295 -20.494 6.103 1.00 1.00 N ATOM 1385 CA MET A 86 24.645 -19.591 5.169 1.00 1.00 C ATOM 1386 C MET A 86 25.660 -19.130 4.122 1.00 1.00 C ATOM 1387 O MET A 86 25.245 -18.818 2.996 1.00 1.00 O ATOM 1388 CB MET A 86 24.085 -18.374 5.908 1.00 1.00 C ATOM 1389 CG MET A 86 22.791 -18.727 6.644 1.00 1.00 C ATOM 1390 SD MET A 86 21.456 -19.023 5.448 1.00 1.00 S ATOM 1391 CE MET A 86 21.180 -20.798 5.717 1.00 1.00 C ATOM 0 H MET A 86 25.473 -20.089 7.022 1.00 1.00 H new ATOM 0 HA MET A 86 23.823 -20.115 4.682 1.00 1.00 H new ATOM 0 HB2 MET A 86 24.823 -18.005 6.620 1.00 1.00 H new ATOM 0 HB3 MET A 86 23.896 -17.569 5.198 1.00 1.00 H new ATOM 0 HG2 MET A 86 22.943 -19.614 7.259 1.00 1.00 H new ATOM 0 HG3 MET A 86 22.514 -17.916 7.318 1.00 1.00 H new ATOM 0 HE1 MET A 86 20.576 -21.200 4.903 1.00 1.00 H new ATOM 0 HE2 MET A 86 22.139 -21.315 5.746 1.00 1.00 H new ATOM 0 HE3 MET A 86 20.659 -20.946 6.663 1.00 1.00 H new ATOM 1401 N PHE A 87 26.949 -19.097 4.505 1.00 1.00 N ATOM 1402 CA PHE A 87 28.010 -18.678 3.605 1.00 1.00 C ATOM 1403 C PHE A 87 27.920 -19.485 2.308 1.00 1.00 C ATOM 1404 O PHE A 87 28.095 -18.893 1.232 1.00 1.00 O ATOM 1405 CB PHE A 87 29.372 -18.896 4.291 1.00 1.00 C ATOM 1406 CG PHE A 87 30.432 -17.859 3.941 1.00 1.00 C ATOM 1407 CD1 PHE A 87 30.146 -16.478 4.054 1.00 1.00 C ATOM 1408 CD2 PHE A 87 31.708 -18.273 3.493 1.00 1.00 C ATOM 1409 CE1 PHE A 87 31.129 -15.521 3.724 1.00 1.00 C ATOM 1410 CE2 PHE A 87 32.690 -17.315 3.164 1.00 1.00 C ATOM 1411 CZ PHE A 87 32.401 -15.939 3.280 1.00 1.00 C ATOM 0 H PHE A 87 27.270 -19.359 5.437 1.00 1.00 H new ATOM 0 HA PHE A 87 27.905 -17.620 3.365 1.00 1.00 H new ATOM 0 HB2 PHE A 87 29.224 -18.895 5.371 1.00 1.00 H new ATOM 0 HB3 PHE A 87 29.746 -19.884 4.021 1.00 1.00 H new ATOM 0 HD1 PHE A 87 29.173 -16.155 4.394 1.00 1.00 H new ATOM 0 HD2 PHE A 87 31.931 -19.326 3.402 1.00 1.00 H new ATOM 0 HE1 PHE A 87 30.907 -14.468 3.811 1.00 1.00 H new ATOM 0 HE2 PHE A 87 33.664 -17.635 2.823 1.00 1.00 H new ATOM 0 HZ PHE A 87 33.153 -15.206 3.029 1.00 1.00 H new ATOM 1421 N ASP A 88 27.653 -20.797 2.432 1.00 1.00 N ATOM 1422 CA ASP A 88 27.542 -21.673 1.278 1.00 1.00 C ATOM 1423 C ASP A 88 27.075 -23.056 1.736 1.00 1.00 C ATOM 1424 O ASP A 88 27.870 -24.004 1.654 1.00 1.00 O ATOM 1425 CB ASP A 88 28.893 -21.838 0.579 1.00 1.00 C ATOM 1426 CG ASP A 88 29.207 -20.777 -0.478 1.00 1.00 C ATOM 1427 OD1 ASP A 88 28.272 -20.576 -1.344 1.00 1.00 O ATOM 1428 OD2 ASP A 88 30.291 -20.174 -0.475 1.00 1.00 O ATOM 0 H ASP A 88 27.512 -21.264 3.328 1.00 1.00 H new ATOM 0 HA ASP A 88 26.829 -21.227 0.584 1.00 1.00 H new ATOM 0 HB2 ASP A 88 29.680 -21.822 1.333 1.00 1.00 H new ATOM 0 HB3 ASP A 88 28.924 -22.820 0.107 1.00 1.00 H new ATOM 1433 N ASN A 89 25.816 -23.143 2.201 1.00 1.00 N ATOM 1434 CA ASN A 89 25.252 -24.399 2.666 1.00 1.00 C ATOM 1435 C ASN A 89 25.258 -25.412 1.520 1.00 1.00 C ATOM 1436 O ASN A 89 25.708 -26.546 1.737 1.00 1.00 O ATOM 1437 CB ASN A 89 23.805 -24.215 3.127 1.00 1.00 C ATOM 1438 CG ASN A 89 23.008 -23.386 2.118 1.00 1.00 C ATOM 1439 OD1 ASN A 89 22.482 -23.890 1.140 1.00 1.00 O ATOM 1440 ND2 ASN A 89 22.951 -22.090 2.408 1.00 1.00 N ATOM 0 H ASN A 89 25.177 -22.350 2.260 1.00 1.00 H new ATOM 0 HA ASN A 89 25.856 -24.750 3.503 1.00 1.00 H new ATOM 0 HB2 ASN A 89 23.334 -25.190 3.255 1.00 1.00 H new ATOM 0 HB3 ASN A 89 23.789 -23.723 4.100 1.00 1.00 H new ATOM 0 HD21 ASN A 89 22.444 -21.452 1.795 1.00 1.00 H new ATOM 0 HD22 ASN A 89 23.414 -21.734 3.244 1.00 1.00 H new ATOM 1447 N GLY A 90 24.766 -24.990 0.341 1.00 1.00 N ATOM 1448 CA GLY A 90 24.716 -25.854 -0.826 1.00 1.00 C ATOM 1449 C GLY A 90 26.097 -25.899 -1.482 1.00 1.00 C ATOM 1450 O GLY A 90 26.707 -26.979 -1.498 1.00 1.00 O ATOM 0 H GLY A 90 24.399 -24.051 0.183 1.00 1.00 H new ATOM 0 HA2 GLY A 90 24.406 -26.858 -0.536 1.00 1.00 H new ATOM 0 HA3 GLY A 90 23.976 -25.484 -1.535 1.00 1.00 H new ATOM 1454 N SER A 91 26.556 -24.746 -2.000 1.00 1.00 N ATOM 1455 CA SER A 91 27.853 -24.656 -2.650 1.00 1.00 C ATOM 1456 C SER A 91 28.038 -23.247 -3.217 1.00 1.00 C ATOM 1457 O SER A 91 29.022 -22.589 -2.850 1.00 1.00 O ATOM 1458 CB SER A 91 27.996 -25.698 -3.761 1.00 1.00 C ATOM 1459 OG SER A 91 26.866 -25.713 -4.629 1.00 1.00 O ATOM 0 H SER A 91 26.038 -23.868 -1.975 1.00 1.00 H new ATOM 0 HA SER A 91 28.626 -24.859 -1.909 1.00 1.00 H new ATOM 0 HB2 SER A 91 28.895 -25.489 -4.340 1.00 1.00 H new ATOM 0 HB3 SER A 91 28.125 -26.685 -3.317 1.00 1.00 H new ATOM 0 HG SER A 91 27.064 -25.188 -5.433 1.00 1.00 H new ATOM 1465 N PHE A 92 27.104 -22.820 -4.085 1.00 1.00 N ATOM 1466 CA PHE A 92 27.164 -21.502 -4.694 1.00 1.00 C ATOM 1467 C PHE A 92 25.979 -21.330 -5.646 1.00 1.00 C ATOM 1468 O PHE A 92 26.207 -20.993 -6.817 1.00 1.00 O ATOM 1469 CB PHE A 92 28.499 -21.353 -5.450 1.00 1.00 C ATOM 1470 CG PHE A 92 29.000 -22.630 -6.111 1.00 1.00 C ATOM 1471 CD1 PHE A 92 28.136 -23.403 -6.920 1.00 1.00 C ATOM 1472 CD2 PHE A 92 30.335 -23.054 -5.912 1.00 1.00 C ATOM 1473 CE1 PHE A 92 28.603 -24.589 -7.527 1.00 1.00 C ATOM 1474 CE2 PHE A 92 30.801 -24.239 -6.519 1.00 1.00 C ATOM 1475 CZ PHE A 92 29.936 -25.007 -7.327 1.00 1.00 C ATOM 0 H PHE A 92 26.301 -23.379 -4.374 1.00 1.00 H new ATOM 0 HA PHE A 92 27.109 -20.730 -3.927 1.00 1.00 H new ATOM 0 HB2 PHE A 92 28.384 -20.585 -6.215 1.00 1.00 H new ATOM 0 HB3 PHE A 92 29.258 -20.998 -4.753 1.00 1.00 H new ATOM 0 HD1 PHE A 92 27.115 -23.085 -7.074 1.00 1.00 H new ATOM 0 HD2 PHE A 92 30.999 -22.469 -5.294 1.00 1.00 H new ATOM 0 HE1 PHE A 92 27.940 -25.177 -8.145 1.00 1.00 H new ATOM 0 HE2 PHE A 92 31.821 -24.559 -6.365 1.00 1.00 H new ATOM 0 HZ PHE A 92 30.294 -25.914 -7.792 1.00 1.00 H new ATOM 1485 N LEU A 93 24.757 -21.562 -5.134 1.00 1.00 N ATOM 1486 CA LEU A 93 23.550 -21.433 -5.933 1.00 1.00 C ATOM 1487 C LEU A 93 23.271 -19.951 -6.194 1.00 1.00 C ATOM 1488 O LEU A 93 22.835 -19.233 -5.296 1.00 1.00 O ATOM 1489 CB LEU A 93 22.385 -22.170 -5.267 1.00 1.00 C ATOM 1490 CG LEU A 93 21.949 -21.638 -3.901 1.00 1.00 C ATOM 1491 CD1 LEU A 93 20.480 -21.210 -3.923 1.00 1.00 C ATOM 1492 CD2 LEU A 93 22.232 -22.660 -2.799 1.00 1.00 C ATOM 0 H LEU A 93 24.591 -21.840 -4.167 1.00 1.00 H new ATOM 0 HA LEU A 93 23.684 -21.908 -6.905 1.00 1.00 H new ATOM 0 HB2 LEU A 93 21.527 -22.135 -5.939 1.00 1.00 H new ATOM 0 HB3 LEU A 93 22.661 -23.219 -5.155 1.00 1.00 H new ATOM 0 HG LEU A 93 22.540 -20.750 -3.676 1.00 1.00 H new ATOM 0 HD11 LEU A 93 20.195 -20.836 -2.940 1.00 1.00 H new ATOM 0 HD12 LEU A 93 20.341 -20.423 -4.665 1.00 1.00 H new ATOM 0 HD13 LEU A 93 19.856 -22.066 -4.180 1.00 1.00 H new ATOM 0 HD21 LEU A 93 21.913 -22.257 -1.838 1.00 1.00 H new ATOM 0 HD22 LEU A 93 21.685 -23.580 -3.006 1.00 1.00 H new ATOM 0 HD23 LEU A 93 23.300 -22.873 -2.766 1.00 1.00 H new TER 1504 LEU A 93