USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 733 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 30 THR OG1 : rot 77:sc= 1.1 USER MOD Set 1.2: A 33 ASN : amide:sc= -0.599 K(o=0.51,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -164:sc= -0.0438 (180deg=-0.385) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -131:sc= 1.23 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= -0.931 (180deg=-1.33) USER MOD Single : A 19 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 28 THR OG1 : rot 50:sc= 0.458 USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= 0.356 (180deg=0.219) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 172:sc= -0.0075 (180deg=-0.038) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.605 X(o=-0.6,f=-0.37) USER MOD Single : A 58 ASN : amide:sc= -2.3! C(o=-2.3!,f=-6.5!) USER MOD Single : A 70 HIS : no HE2:sc= 0.465 K(o=0.47,f=-1.6!) USER MOD Single : A 71 GLN : amide:sc= -0.098 X(o=-0.098,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= -0.412 (180deg=-0.55) USER MOD Single : A 75 TYR OH : rot 43:sc= -0.221! USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= -6.69! C(o=-7.4!,f=-6.7!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 100 HIS :FLIP no HD1:sc=-0.00213 F(o=-0.64,f=-0.0021) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 62.819 -7.757 -21.991 1.00 0.00 N ATOM 2 CA GLY A 1 61.677 -7.538 -22.923 1.00 0.00 C ATOM 3 C GLY A 1 60.451 -7.100 -22.126 1.00 0.00 C ATOM 4 O GLY A 1 59.611 -6.349 -22.623 1.00 0.00 O ATOM 0 H1 GLY A 1 63.707 -7.787 -22.531 1.00 0.00 H new ATOM 0 H2 GLY A 1 62.859 -6.979 -21.302 1.00 0.00 H new ATOM 0 H3 GLY A 1 62.689 -8.658 -21.488 1.00 0.00 H new ATOM 0 HA2 GLY A 1 61.936 -6.778 -23.661 1.00 0.00 H new ATOM 0 HA3 GLY A 1 61.460 -8.454 -23.472 1.00 0.00 H new ATOM 10 N ALA A 2 60.361 -7.573 -20.885 1.00 0.00 N ATOM 11 CA ALA A 2 59.242 -7.226 -20.008 1.00 0.00 C ATOM 12 C ALA A 2 59.743 -7.074 -18.569 1.00 0.00 C ATOM 13 O ALA A 2 59.598 -7.980 -17.748 1.00 0.00 O ATOM 14 CB ALA A 2 58.153 -8.318 -20.103 1.00 0.00 C ATOM 0 H ALA A 2 61.048 -8.197 -20.463 1.00 0.00 H new ATOM 0 HA ALA A 2 58.807 -6.277 -20.321 1.00 0.00 H new ATOM 0 HB1 ALA A 2 57.320 -8.059 -19.450 1.00 0.00 H new ATOM 0 HB2 ALA A 2 57.799 -8.390 -21.131 1.00 0.00 H new ATOM 0 HB3 ALA A 2 58.571 -9.276 -19.795 1.00 0.00 H new ATOM 20 N MET A 3 60.324 -5.908 -18.279 1.00 0.00 N ATOM 21 CA MET A 3 60.845 -5.611 -16.941 1.00 0.00 C ATOM 22 C MET A 3 60.181 -4.360 -16.383 1.00 0.00 C ATOM 23 O MET A 3 59.929 -3.401 -17.113 1.00 0.00 O ATOM 24 CB MET A 3 62.370 -5.405 -17.001 1.00 0.00 C ATOM 25 CG MET A 3 62.732 -4.185 -17.890 1.00 0.00 C ATOM 26 SD MET A 3 63.407 -2.836 -16.871 1.00 0.00 S ATOM 27 CE MET A 3 65.125 -3.412 -16.719 1.00 0.00 C ATOM 0 H MET A 3 60.446 -5.152 -18.953 1.00 0.00 H new ATOM 0 HA MET A 3 60.623 -6.454 -16.286 1.00 0.00 H new ATOM 0 HB2 MET A 3 62.760 -5.254 -15.994 1.00 0.00 H new ATOM 0 HB3 MET A 3 62.846 -6.302 -17.397 1.00 0.00 H new ATOM 0 HG2 MET A 3 63.462 -4.480 -18.644 1.00 0.00 H new ATOM 0 HG3 MET A 3 61.846 -3.839 -18.422 1.00 0.00 H new ATOM 0 HE1 MET A 3 65.695 -2.702 -16.120 1.00 0.00 H new ATOM 0 HE2 MET A 3 65.140 -4.389 -16.236 1.00 0.00 H new ATOM 0 HE3 MET A 3 65.571 -3.491 -17.710 1.00 0.00 H new ATOM 37 N GLY A 4 59.882 -4.380 -15.086 1.00 0.00 N ATOM 38 CA GLY A 4 59.232 -3.244 -14.437 1.00 0.00 C ATOM 39 C GLY A 4 60.259 -2.294 -13.831 1.00 0.00 C ATOM 40 O GLY A 4 61.222 -2.723 -13.197 1.00 0.00 O ATOM 0 H GLY A 4 60.078 -5.166 -14.466 1.00 0.00 H new ATOM 0 HA2 GLY A 4 58.621 -2.708 -15.163 1.00 0.00 H new ATOM 0 HA3 GLY A 4 58.560 -3.603 -13.657 1.00 0.00 H new ATOM 44 N SER A 5 60.030 -1.001 -14.020 1.00 0.00 N ATOM 45 CA SER A 5 60.918 0.027 -13.487 1.00 0.00 C ATOM 46 C SER A 5 60.151 1.349 -13.348 1.00 0.00 C ATOM 47 O SER A 5 59.095 1.515 -13.954 1.00 0.00 O ATOM 48 CB SER A 5 62.149 0.182 -14.411 1.00 0.00 C ATOM 49 OG SER A 5 61.988 -0.666 -15.539 1.00 0.00 O ATOM 0 H SER A 5 59.233 -0.637 -14.541 1.00 0.00 H new ATOM 0 HA SER A 5 61.272 -0.265 -12.498 1.00 0.00 H new ATOM 0 HB2 SER A 5 62.252 1.219 -14.731 1.00 0.00 H new ATOM 0 HB3 SER A 5 63.060 -0.077 -13.872 1.00 0.00 H new ATOM 0 HG SER A 5 62.808 -1.185 -15.678 1.00 0.00 H new ATOM 55 N CYS A 6 60.698 2.266 -12.539 1.00 0.00 N ATOM 56 CA CYS A 6 60.089 3.586 -12.286 1.00 0.00 C ATOM 57 C CYS A 6 58.584 3.611 -12.561 1.00 0.00 C ATOM 58 O CYS A 6 58.154 3.636 -13.714 1.00 0.00 O ATOM 59 CB CYS A 6 60.769 4.653 -13.146 1.00 0.00 C ATOM 60 SG CYS A 6 60.672 4.189 -14.892 1.00 0.00 S ATOM 0 H CYS A 6 61.575 2.117 -12.040 1.00 0.00 H new ATOM 0 HA CYS A 6 60.236 3.796 -11.226 1.00 0.00 H new ATOM 0 HB2 CYS A 6 60.289 5.619 -12.990 1.00 0.00 H new ATOM 0 HB3 CYS A 6 61.811 4.764 -12.847 1.00 0.00 H new ATOM 65 N ARG A 7 57.785 3.628 -11.490 1.00 0.00 N ATOM 66 CA ARG A 7 56.326 3.658 -11.629 1.00 0.00 C ATOM 67 C ARG A 7 55.803 5.102 -11.641 1.00 0.00 C ATOM 68 O ARG A 7 54.961 5.442 -12.469 1.00 0.00 O ATOM 69 CB ARG A 7 55.677 2.839 -10.485 1.00 0.00 C ATOM 70 CG ARG A 7 54.595 1.901 -11.042 1.00 0.00 C ATOM 71 CD ARG A 7 54.102 0.972 -9.935 1.00 0.00 C ATOM 72 NE ARG A 7 53.346 1.726 -8.948 1.00 0.00 N ATOM 73 CZ ARG A 7 52.628 1.108 -8.020 1.00 0.00 C ATOM 74 NH1 ARG A 7 52.590 -0.196 -7.987 1.00 0.00 N ATOM 75 NH2 ARG A 7 51.958 1.805 -7.143 1.00 0.00 N1+ ATOM 0 H ARG A 7 58.119 3.622 -10.526 1.00 0.00 H new ATOM 0 HA ARG A 7 56.053 3.206 -12.583 1.00 0.00 H new ATOM 0 HB2 ARG A 7 56.440 2.257 -9.968 1.00 0.00 H new ATOM 0 HB3 ARG A 7 55.238 3.514 -9.750 1.00 0.00 H new ATOM 0 HG2 ARG A 7 53.764 2.484 -11.439 1.00 0.00 H new ATOM 0 HG3 ARG A 7 54.997 1.316 -11.869 1.00 0.00 H new ATOM 0 HD2 ARG A 7 53.477 0.187 -10.360 1.00 0.00 H new ATOM 0 HD3 ARG A 7 54.950 0.481 -9.457 1.00 0.00 H new ATOM 0 HE ARG A 7 53.368 2.746 -8.970 1.00 0.00 H new ATOM 0 HH11 ARG A 7 53.112 -0.739 -8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 7 52.038 -0.672 -7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 7 51.987 2.824 -7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 7 51.405 1.330 -6.429 1.00 0.00 H new ATOM 89 N PRO A 8 56.281 5.952 -10.761 1.00 0.00 N ATOM 90 CA PRO A 8 55.855 7.372 -10.694 1.00 0.00 C ATOM 91 C PRO A 8 56.847 8.291 -11.431 1.00 0.00 C ATOM 92 O PRO A 8 57.945 8.535 -10.929 1.00 0.00 O ATOM 93 CB PRO A 8 55.880 7.650 -9.177 1.00 0.00 C ATOM 94 CG PRO A 8 56.857 6.648 -8.587 1.00 0.00 C ATOM 95 CD PRO A 8 57.269 5.679 -9.717 1.00 0.00 C ATOM 0 HA PRO A 8 54.888 7.556 -11.163 1.00 0.00 H new ATOM 0 HB2 PRO A 8 56.198 8.672 -8.972 1.00 0.00 H new ATOM 0 HB3 PRO A 8 54.888 7.531 -8.742 1.00 0.00 H new ATOM 0 HG2 PRO A 8 57.731 7.158 -8.182 1.00 0.00 H new ATOM 0 HG3 PRO A 8 56.396 6.103 -7.764 1.00 0.00 H new ATOM 0 HD2 PRO A 8 58.285 5.871 -10.063 1.00 0.00 H new ATOM 0 HD3 PRO A 8 57.234 4.640 -9.390 1.00 0.00 H new ATOM 103 N PRO A 9 56.501 8.815 -12.589 1.00 0.00 N ATOM 104 CA PRO A 9 57.408 9.717 -13.348 1.00 0.00 C ATOM 105 C PRO A 9 57.255 11.166 -12.880 1.00 0.00 C ATOM 106 O PRO A 9 56.136 11.674 -12.807 1.00 0.00 O ATOM 107 CB PRO A 9 56.940 9.545 -14.793 1.00 0.00 C ATOM 108 CG PRO A 9 55.469 9.246 -14.695 1.00 0.00 C ATOM 109 CD PRO A 9 55.229 8.613 -13.308 1.00 0.00 C ATOM 0 HA PRO A 9 58.463 9.480 -13.214 1.00 0.00 H new ATOM 0 HB2 PRO A 9 57.121 10.448 -15.376 1.00 0.00 H new ATOM 0 HB3 PRO A 9 57.475 8.734 -15.287 1.00 0.00 H new ATOM 0 HG2 PRO A 9 54.882 10.157 -14.810 1.00 0.00 H new ATOM 0 HG3 PRO A 9 55.160 8.565 -15.488 1.00 0.00 H new ATOM 0 HD2 PRO A 9 54.399 9.093 -12.790 1.00 0.00 H new ATOM 0 HD3 PRO A 9 54.983 7.554 -13.391 1.00 0.00 H new ATOM 117 N MET A 10 58.363 11.829 -12.548 1.00 0.00 N ATOM 118 CA MET A 10 58.315 13.213 -12.073 1.00 0.00 C ATOM 119 C MET A 10 58.444 14.184 -13.238 1.00 0.00 C ATOM 120 O MET A 10 57.570 15.021 -13.457 1.00 0.00 O ATOM 121 CB MET A 10 59.461 13.443 -11.078 1.00 0.00 C ATOM 122 CG MET A 10 59.488 14.899 -10.576 1.00 0.00 C ATOM 123 SD MET A 10 58.060 15.223 -9.516 1.00 0.00 S ATOM 124 CE MET A 10 58.477 16.944 -9.135 1.00 0.00 C ATOM 0 H MET A 10 59.301 11.433 -12.599 1.00 0.00 H new ATOM 0 HA MET A 10 57.357 13.388 -11.583 1.00 0.00 H new ATOM 0 HB2 MET A 10 59.350 12.767 -10.230 1.00 0.00 H new ATOM 0 HB3 MET A 10 60.412 13.203 -11.554 1.00 0.00 H new ATOM 0 HG2 MET A 10 60.409 15.083 -10.023 1.00 0.00 H new ATOM 0 HG3 MET A 10 59.483 15.584 -11.424 1.00 0.00 H new ATOM 0 HE1 MET A 10 57.717 17.365 -8.476 1.00 0.00 H new ATOM 0 HE2 MET A 10 59.448 16.982 -8.640 1.00 0.00 H new ATOM 0 HE3 MET A 10 58.517 17.522 -10.058 1.00 0.00 H new ATOM 134 N VAL A 11 59.570 14.101 -13.950 1.00 0.00 N ATOM 135 CA VAL A 11 59.836 15.016 -15.059 1.00 0.00 C ATOM 136 C VAL A 11 59.778 14.285 -16.391 1.00 0.00 C ATOM 137 O VAL A 11 60.351 13.208 -16.549 1.00 0.00 O ATOM 138 CB VAL A 11 61.225 15.652 -14.893 1.00 0.00 C ATOM 139 CG1 VAL A 11 62.332 14.558 -14.807 1.00 0.00 C ATOM 140 CG2 VAL A 11 61.482 16.585 -16.087 1.00 0.00 C ATOM 0 H VAL A 11 60.306 13.415 -13.780 1.00 0.00 H new ATOM 0 HA VAL A 11 59.070 15.792 -15.048 1.00 0.00 H new ATOM 0 HB VAL A 11 61.255 16.221 -13.964 1.00 0.00 H new ATOM 0 HG11 VAL A 11 63.306 15.034 -14.690 1.00 0.00 H new ATOM 0 HG12 VAL A 11 62.139 13.911 -13.951 1.00 0.00 H new ATOM 0 HG13 VAL A 11 62.327 13.963 -15.720 1.00 0.00 H new ATOM 0 HG21 VAL A 11 62.465 17.045 -15.984 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.445 16.010 -17.012 1.00 0.00 H new ATOM 0 HG23 VAL A 11 60.718 17.362 -16.112 1.00 0.00 H new ATOM 150 N LYS A 12 59.097 14.888 -17.359 1.00 0.00 N ATOM 151 CA LYS A 12 58.997 14.296 -18.689 1.00 0.00 C ATOM 152 C LYS A 12 60.254 14.601 -19.492 1.00 0.00 C ATOM 153 O LYS A 12 60.457 15.729 -19.939 1.00 0.00 O ATOM 154 CB LYS A 12 57.759 14.832 -19.417 1.00 0.00 C ATOM 155 CG LYS A 12 56.509 14.145 -18.858 1.00 0.00 C ATOM 156 CD LYS A 12 55.258 14.635 -19.600 1.00 0.00 C ATOM 157 CE LYS A 12 54.931 16.104 -19.245 1.00 0.00 C ATOM 158 NZ LYS A 12 55.454 16.455 -17.892 1.00 0.00 N1+ ATOM 0 H LYS A 12 58.610 15.778 -17.251 1.00 0.00 H new ATOM 0 HA LYS A 12 58.899 13.215 -18.586 1.00 0.00 H new ATOM 0 HB2 LYS A 12 57.684 15.912 -19.286 1.00 0.00 H new ATOM 0 HB3 LYS A 12 57.843 14.646 -20.488 1.00 0.00 H new ATOM 0 HG2 LYS A 12 56.602 13.064 -18.962 1.00 0.00 H new ATOM 0 HG3 LYS A 12 56.415 14.356 -17.793 1.00 0.00 H new ATOM 0 HD2 LYS A 12 55.412 14.545 -20.675 1.00 0.00 H new ATOM 0 HD3 LYS A 12 54.410 14.000 -19.345 1.00 0.00 H new ATOM 0 HE2 LYS A 12 55.367 16.768 -19.991 1.00 0.00 H new ATOM 0 HE3 LYS A 12 53.852 16.257 -19.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 55.054 17.366 -17.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 55.183 15.716 -17.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 56.491 16.528 -17.929 1.00 0.00 H new ATOM 172 N LEU A 13 61.100 13.581 -19.680 1.00 0.00 N ATOM 173 CA LEU A 13 62.338 13.757 -20.439 1.00 0.00 C ATOM 174 C LEU A 13 62.137 13.342 -21.894 1.00 0.00 C ATOM 175 O LEU A 13 61.449 12.364 -22.179 1.00 0.00 O ATOM 176 CB LEU A 13 63.505 12.978 -19.779 1.00 0.00 C ATOM 177 CG LEU A 13 63.388 11.421 -19.953 1.00 0.00 C ATOM 178 CD1 LEU A 13 64.714 10.842 -20.479 1.00 0.00 C ATOM 179 CD2 LEU A 13 63.060 10.742 -18.608 1.00 0.00 C ATOM 0 H LEU A 13 60.951 12.638 -19.321 1.00 0.00 H new ATOM 0 HA LEU A 13 62.604 14.814 -20.429 1.00 0.00 H new ATOM 0 HB2 LEU A 13 64.448 13.315 -20.210 1.00 0.00 H new ATOM 0 HB3 LEU A 13 63.537 13.217 -18.716 1.00 0.00 H new ATOM 0 HG LEU A 13 62.586 11.227 -20.665 1.00 0.00 H new ATOM 0 HD11 LEU A 13 64.619 9.762 -20.595 1.00 0.00 H new ATOM 0 HD12 LEU A 13 64.950 11.291 -21.444 1.00 0.00 H new ATOM 0 HD13 LEU A 13 65.513 11.062 -19.771 1.00 0.00 H new ATOM 0 HD21 LEU A 13 62.984 9.664 -18.753 1.00 0.00 H new ATOM 0 HD22 LEU A 13 63.851 10.956 -17.890 1.00 0.00 H new ATOM 0 HD23 LEU A 13 62.112 11.125 -18.229 1.00 0.00 H new ATOM 191 N VAL A 14 62.680 14.135 -22.820 1.00 0.00 N ATOM 192 CA VAL A 14 62.526 13.840 -24.250 1.00 0.00 C ATOM 193 C VAL A 14 63.878 13.967 -24.961 1.00 0.00 C ATOM 194 O VAL A 14 64.773 14.680 -24.511 1.00 0.00 O ATOM 195 CB VAL A 14 61.432 14.778 -24.863 1.00 0.00 C ATOM 196 CG1 VAL A 14 61.972 15.612 -26.037 1.00 0.00 C ATOM 197 CG2 VAL A 14 60.237 13.948 -25.369 1.00 0.00 C ATOM 0 H VAL A 14 63.222 14.974 -22.613 1.00 0.00 H new ATOM 0 HA VAL A 14 62.190 12.812 -24.388 1.00 0.00 H new ATOM 0 HB VAL A 14 61.121 15.455 -24.067 1.00 0.00 H new ATOM 0 HG11 VAL A 14 61.177 16.246 -26.429 1.00 0.00 H new ATOM 0 HG12 VAL A 14 62.797 16.235 -25.691 1.00 0.00 H new ATOM 0 HG13 VAL A 14 62.326 14.946 -26.824 1.00 0.00 H new ATOM 0 HG21 VAL A 14 59.485 14.614 -25.792 1.00 0.00 H new ATOM 0 HG22 VAL A 14 60.577 13.251 -26.135 1.00 0.00 H new ATOM 0 HG23 VAL A 14 59.803 13.391 -24.538 1.00 0.00 H new ATOM 207 N CYS A 15 63.991 13.268 -26.083 1.00 0.00 N ATOM 208 CA CYS A 15 65.208 13.308 -26.884 1.00 0.00 C ATOM 209 C CYS A 15 65.136 14.506 -27.836 1.00 0.00 C ATOM 210 O CYS A 15 64.067 14.798 -28.371 1.00 0.00 O ATOM 211 CB CYS A 15 65.357 11.997 -27.680 1.00 0.00 C ATOM 212 SG CYS A 15 66.347 10.809 -26.729 1.00 0.00 S ATOM 0 H CYS A 15 63.257 12.668 -26.459 1.00 0.00 H new ATOM 0 HA CYS A 15 66.076 13.414 -26.233 1.00 0.00 H new ATOM 0 HB2 CYS A 15 64.374 11.577 -27.893 1.00 0.00 H new ATOM 0 HB3 CYS A 15 65.834 12.196 -28.640 1.00 0.00 H new ATOM 217 N PRO A 16 66.222 15.211 -28.059 1.00 0.00 N ATOM 218 CA PRO A 16 66.213 16.395 -28.968 1.00 0.00 C ATOM 219 C PRO A 16 66.096 15.986 -30.433 1.00 0.00 C ATOM 220 O PRO A 16 66.360 14.836 -30.789 1.00 0.00 O ATOM 221 CB PRO A 16 67.541 17.092 -28.665 1.00 0.00 C ATOM 222 CG PRO A 16 68.452 15.993 -28.224 1.00 0.00 C ATOM 223 CD PRO A 16 67.567 14.973 -27.495 1.00 0.00 C ATOM 0 HA PRO A 16 65.355 17.047 -28.803 1.00 0.00 H new ATOM 0 HB2 PRO A 16 67.932 17.601 -29.546 1.00 0.00 H new ATOM 0 HB3 PRO A 16 67.424 17.846 -27.887 1.00 0.00 H new ATOM 0 HG2 PRO A 16 68.952 15.535 -29.078 1.00 0.00 H new ATOM 0 HG3 PRO A 16 69.232 16.374 -27.565 1.00 0.00 H new ATOM 0 HD2 PRO A 16 67.902 13.951 -27.675 1.00 0.00 H new ATOM 0 HD3 PRO A 16 67.582 15.128 -26.416 1.00 0.00 H new ATOM 231 N ALA A 17 65.639 16.920 -31.270 1.00 0.00 N ATOM 232 CA ALA A 17 65.429 16.620 -32.677 1.00 0.00 C ATOM 233 C ALA A 17 66.724 16.683 -33.471 1.00 0.00 C ATOM 234 O ALA A 17 67.164 15.681 -34.034 1.00 0.00 O ATOM 235 CB ALA A 17 64.395 17.582 -33.287 1.00 0.00 C ATOM 0 H ALA A 17 65.412 17.876 -30.998 1.00 0.00 H new ATOM 0 HA ALA A 17 65.050 15.600 -32.734 1.00 0.00 H new ATOM 0 HB1 ALA A 17 64.251 17.342 -34.340 1.00 0.00 H new ATOM 0 HB2 ALA A 17 63.447 17.480 -32.759 1.00 0.00 H new ATOM 0 HB3 ALA A 17 64.753 18.607 -33.194 1.00 0.00 H new ATOM 241 N ASP A 18 67.340 17.856 -33.497 1.00 0.00 N ATOM 242 CA ASP A 18 68.598 18.051 -34.204 1.00 0.00 C ATOM 243 C ASP A 18 69.664 18.487 -33.211 1.00 0.00 C ATOM 244 O ASP A 18 70.451 19.396 -33.480 1.00 0.00 O ATOM 245 CB ASP A 18 68.430 19.099 -35.321 1.00 0.00 C ATOM 246 CG ASP A 18 67.545 20.256 -34.860 1.00 0.00 C ATOM 247 OD1 ASP A 18 67.024 20.181 -33.765 1.00 0.00 O ATOM 248 OD2 ASP A 18 67.401 21.202 -35.617 1.00 0.00 O1- ATOM 0 H ASP A 18 66.986 18.693 -33.033 1.00 0.00 H new ATOM 0 HA ASP A 18 68.904 17.114 -34.669 1.00 0.00 H new ATOM 0 HB2 ASP A 18 69.408 19.480 -35.617 1.00 0.00 H new ATOM 0 HB3 ASP A 18 67.991 18.630 -36.201 1.00 0.00 H new ATOM 253 N ASN A 19 69.648 17.848 -32.041 1.00 0.00 N ATOM 254 CA ASN A 19 70.587 18.184 -30.980 1.00 0.00 C ATOM 255 C ASN A 19 70.443 19.649 -30.604 1.00 0.00 C ATOM 256 O ASN A 19 71.424 20.326 -30.297 1.00 0.00 O ATOM 257 CB ASN A 19 72.028 17.882 -31.416 1.00 0.00 C ATOM 258 CG ASN A 19 72.289 16.380 -31.345 1.00 0.00 C ATOM 259 OD1 ASN A 19 72.612 15.756 -32.356 1.00 0.00 O ATOM 260 ND2 ASN A 19 72.168 15.760 -30.202 1.00 0.00 N ATOM 0 H ASN A 19 68.997 17.098 -31.808 1.00 0.00 H new ATOM 0 HA ASN A 19 70.360 17.572 -30.107 1.00 0.00 H new ATOM 0 HB2 ASN A 19 72.192 18.241 -32.432 1.00 0.00 H new ATOM 0 HB3 ASN A 19 72.730 18.413 -30.773 1.00 0.00 H new ATOM 0 HD21 ASN A 19 72.341 14.756 -30.145 1.00 0.00 H new ATOM 0 HD22 ASN A 19 71.900 16.279 -29.366 1.00 0.00 H new ATOM 267 N LEU A 20 69.202 20.126 -30.615 1.00 0.00 N ATOM 268 CA LEU A 20 68.923 21.503 -30.252 1.00 0.00 C ATOM 269 C LEU A 20 69.237 21.708 -28.764 1.00 0.00 C ATOM 270 O LEU A 20 69.483 22.830 -28.324 1.00 0.00 O ATOM 271 CB LEU A 20 67.448 21.840 -30.555 1.00 0.00 C ATOM 272 CG LEU A 20 66.468 20.763 -29.992 1.00 0.00 C ATOM 273 CD1 LEU A 20 65.238 21.463 -29.386 1.00 0.00 C ATOM 274 CD2 LEU A 20 65.973 19.807 -31.106 1.00 0.00 C ATOM 0 H LEU A 20 68.380 19.579 -30.871 1.00 0.00 H new ATOM 0 HA LEU A 20 69.551 22.173 -30.839 1.00 0.00 H new ATOM 0 HB2 LEU A 20 67.203 22.811 -30.125 1.00 0.00 H new ATOM 0 HB3 LEU A 20 67.311 21.925 -31.633 1.00 0.00 H new ATOM 0 HG LEU A 20 67.006 20.185 -29.240 1.00 0.00 H new ATOM 0 HD11 LEU A 20 64.551 20.714 -28.992 1.00 0.00 H new ATOM 0 HD12 LEU A 20 65.556 22.124 -28.580 1.00 0.00 H new ATOM 0 HD13 LEU A 20 64.735 22.047 -30.157 1.00 0.00 H new ATOM 0 HD21 LEU A 20 65.293 19.071 -30.678 1.00 0.00 H new ATOM 0 HD22 LEU A 20 65.451 20.380 -31.872 1.00 0.00 H new ATOM 0 HD23 LEU A 20 66.826 19.296 -31.553 1.00 0.00 H new ATOM 286 N ARG A 21 69.178 20.625 -27.990 1.00 0.00 N ATOM 287 CA ARG A 21 69.422 20.707 -26.543 1.00 0.00 C ATOM 288 C ARG A 21 70.920 20.719 -26.221 1.00 0.00 C ATOM 289 O ARG A 21 71.335 21.256 -25.193 1.00 0.00 O ATOM 290 CB ARG A 21 68.734 19.517 -25.840 1.00 0.00 C ATOM 291 CG ARG A 21 68.914 19.576 -24.306 1.00 0.00 C ATOM 292 CD ARG A 21 68.020 20.667 -23.669 1.00 0.00 C ATOM 293 NE ARG A 21 68.802 21.452 -22.721 1.00 0.00 N ATOM 294 CZ ARG A 21 69.247 20.914 -21.591 1.00 0.00 C ATOM 295 NH1 ARG A 21 69.008 19.657 -21.333 1.00 0.00 N ATOM 296 NH2 ARG A 21 69.931 21.635 -20.744 1.00 0.00 N1+ ATOM 0 H ARG A 21 68.966 19.688 -28.332 1.00 0.00 H new ATOM 0 HA ARG A 21 69.003 21.645 -26.178 1.00 0.00 H new ATOM 0 HB2 ARG A 21 67.671 19.517 -26.082 1.00 0.00 H new ATOM 0 HB3 ARG A 21 69.147 18.582 -26.219 1.00 0.00 H new ATOM 0 HG2 ARG A 21 68.670 18.606 -23.873 1.00 0.00 H new ATOM 0 HG3 ARG A 21 69.959 19.777 -24.069 1.00 0.00 H new ATOM 0 HD2 ARG A 21 67.613 21.316 -24.445 1.00 0.00 H new ATOM 0 HD3 ARG A 21 67.172 20.206 -23.162 1.00 0.00 H new ATOM 0 HE ARG A 21 69.010 22.429 -22.929 1.00 0.00 H new ATOM 0 HH11 ARG A 21 68.481 19.091 -21.998 1.00 0.00 H new ATOM 0 HH12 ARG A 21 69.348 19.241 -20.466 1.00 0.00 H new ATOM 0 HH21 ARG A 21 70.125 22.615 -20.949 1.00 0.00 H new ATOM 0 HH22 ARG A 21 70.271 21.218 -19.877 1.00 0.00 H new ATOM 310 N ALA A 22 71.724 20.139 -27.106 1.00 0.00 N ATOM 311 CA ALA A 22 73.177 20.078 -26.915 1.00 0.00 C ATOM 312 C ALA A 22 73.531 19.905 -25.430 1.00 0.00 C ATOM 313 O ALA A 22 73.817 20.883 -24.739 1.00 0.00 O ATOM 314 CB ALA A 22 73.811 21.360 -27.482 1.00 0.00 C ATOM 0 H ALA A 22 71.397 19.702 -27.967 1.00 0.00 H new ATOM 0 HA ALA A 22 73.572 19.212 -27.446 1.00 0.00 H new ATOM 0 HB1 ALA A 22 74.892 21.323 -27.344 1.00 0.00 H new ATOM 0 HB2 ALA A 22 73.583 21.439 -28.545 1.00 0.00 H new ATOM 0 HB3 ALA A 22 73.408 22.227 -26.959 1.00 0.00 H new ATOM 320 N GLU A 23 73.458 18.669 -24.927 1.00 0.00 N ATOM 321 CA GLU A 23 73.725 18.404 -23.504 1.00 0.00 C ATOM 322 C GLU A 23 74.773 17.308 -23.340 1.00 0.00 C ATOM 323 O GLU A 23 75.015 16.519 -24.252 1.00 0.00 O ATOM 324 CB GLU A 23 72.427 18.011 -22.764 1.00 0.00 C ATOM 325 CG GLU A 23 71.538 17.093 -23.627 1.00 0.00 C ATOM 326 CD GLU A 23 72.037 15.654 -23.564 1.00 0.00 C ATOM 327 OE1 GLU A 23 72.445 15.237 -22.492 1.00 0.00 O1- ATOM 328 OE2 GLU A 23 71.981 14.983 -24.580 1.00 0.00 O ATOM 0 H GLU A 23 73.219 17.842 -25.474 1.00 0.00 H new ATOM 0 HA GLU A 23 74.112 19.323 -23.063 1.00 0.00 H new ATOM 0 HB2 GLU A 23 72.678 17.504 -21.832 1.00 0.00 H new ATOM 0 HB3 GLU A 23 71.872 18.911 -22.498 1.00 0.00 H new ATOM 0 HG2 GLU A 23 70.507 17.142 -23.277 1.00 0.00 H new ATOM 0 HG3 GLU A 23 71.541 17.440 -24.660 1.00 0.00 H new ATOM 335 N GLY A 24 75.409 17.293 -22.169 1.00 0.00 N ATOM 336 CA GLY A 24 76.450 16.314 -21.874 1.00 0.00 C ATOM 337 C GLY A 24 75.864 15.077 -21.201 1.00 0.00 C ATOM 338 O GLY A 24 75.549 14.089 -21.862 1.00 0.00 O ATOM 0 H GLY A 24 75.220 17.948 -21.411 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.955 16.026 -22.796 1.00 0.00 H new ATOM 0 HA3 GLY A 24 77.203 16.763 -21.226 1.00 0.00 H new ATOM 342 N LEU A 25 75.713 15.149 -19.880 1.00 0.00 N ATOM 343 CA LEU A 25 75.161 14.035 -19.114 1.00 0.00 C ATOM 344 C LEU A 25 75.951 12.754 -19.382 1.00 0.00 C ATOM 345 O LEU A 25 75.948 12.223 -20.493 1.00 0.00 O ATOM 346 CB LEU A 25 73.678 13.852 -19.473 1.00 0.00 C ATOM 347 CG LEU A 25 73.103 12.541 -18.852 1.00 0.00 C ATOM 348 CD1 LEU A 25 71.738 12.815 -18.207 1.00 0.00 C ATOM 349 CD2 LEU A 25 72.913 11.467 -19.937 1.00 0.00 C ATOM 0 H LEU A 25 75.964 15.964 -19.320 1.00 0.00 H new ATOM 0 HA LEU A 25 75.241 14.256 -18.050 1.00 0.00 H new ATOM 0 HB2 LEU A 25 73.106 14.708 -19.115 1.00 0.00 H new ATOM 0 HB3 LEU A 25 73.565 13.824 -20.557 1.00 0.00 H new ATOM 0 HG LEU A 25 73.811 12.189 -18.102 1.00 0.00 H new ATOM 0 HD11 LEU A 25 71.347 11.893 -17.777 1.00 0.00 H new ATOM 0 HD12 LEU A 25 71.850 13.562 -17.422 1.00 0.00 H new ATOM 0 HD13 LEU A 25 71.046 13.185 -18.963 1.00 0.00 H new ATOM 0 HD21 LEU A 25 72.511 10.560 -19.485 1.00 0.00 H new ATOM 0 HD22 LEU A 25 72.219 11.833 -20.694 1.00 0.00 H new ATOM 0 HD23 LEU A 25 73.874 11.246 -20.402 1.00 0.00 H new ATOM 361 N GLU A 26 76.660 12.292 -18.355 1.00 0.00 N ATOM 362 CA GLU A 26 77.492 11.096 -18.477 1.00 0.00 C ATOM 363 C GLU A 26 76.656 9.917 -18.981 1.00 0.00 C ATOM 364 O GLU A 26 75.426 9.963 -18.973 1.00 0.00 O ATOM 365 CB GLU A 26 78.173 10.744 -17.120 1.00 0.00 C ATOM 366 CG GLU A 26 77.644 11.639 -15.995 1.00 0.00 C ATOM 367 CD GLU A 26 76.168 11.352 -15.749 1.00 0.00 C ATOM 368 OE1 GLU A 26 75.881 10.374 -15.077 1.00 0.00 O1- ATOM 369 OE2 GLU A 26 75.345 12.110 -16.233 1.00 0.00 O ATOM 0 H GLU A 26 76.676 12.725 -17.432 1.00 0.00 H new ATOM 0 HA GLU A 26 78.279 11.303 -19.202 1.00 0.00 H new ATOM 0 HB2 GLU A 26 77.987 9.698 -16.876 1.00 0.00 H new ATOM 0 HB3 GLU A 26 79.253 10.864 -17.208 1.00 0.00 H new ATOM 0 HG2 GLU A 26 78.214 11.464 -15.082 1.00 0.00 H new ATOM 0 HG3 GLU A 26 77.780 12.688 -16.260 1.00 0.00 H new ATOM 376 N CYS A 27 77.339 8.873 -19.441 1.00 0.00 N ATOM 377 CA CYS A 27 76.661 7.695 -19.976 1.00 0.00 C ATOM 378 C CYS A 27 75.957 6.912 -18.872 1.00 0.00 C ATOM 379 O CYS A 27 75.991 5.685 -18.876 1.00 0.00 O ATOM 380 CB CYS A 27 77.678 6.778 -20.672 1.00 0.00 C ATOM 381 SG CYS A 27 76.830 5.335 -21.374 1.00 0.00 S ATOM 0 H CYS A 27 78.357 8.818 -19.455 1.00 0.00 H new ATOM 0 HA CYS A 27 75.914 8.037 -20.692 1.00 0.00 H new ATOM 0 HB2 CYS A 27 78.195 7.326 -21.460 1.00 0.00 H new ATOM 0 HB3 CYS A 27 78.436 6.454 -19.959 1.00 0.00 H new ATOM 386 N THR A 28 75.324 7.622 -17.936 1.00 0.00 N ATOM 387 CA THR A 28 74.637 6.971 -16.813 1.00 0.00 C ATOM 388 C THR A 28 75.570 5.949 -16.148 1.00 0.00 C ATOM 389 O THR A 28 76.115 5.058 -16.796 1.00 0.00 O ATOM 390 CB THR A 28 73.325 6.306 -17.291 1.00 0.00 C ATOM 391 OG1 THR A 28 73.510 5.772 -18.595 1.00 0.00 O ATOM 392 CG2 THR A 28 72.185 7.339 -17.326 1.00 0.00 C ATOM 0 H THR A 28 75.271 8.641 -17.931 1.00 0.00 H new ATOM 0 HA THR A 28 74.374 7.726 -16.072 1.00 0.00 H new ATOM 0 HB THR A 28 73.064 5.508 -16.596 1.00 0.00 H new ATOM 0 HG1 THR A 28 74.327 5.231 -18.614 1.00 0.00 H new ATOM 0 HG21 THR A 28 71.268 6.857 -17.664 1.00 0.00 H new ATOM 0 HG22 THR A 28 72.033 7.747 -16.327 1.00 0.00 H new ATOM 0 HG23 THR A 28 72.445 8.145 -18.012 1.00 0.00 H new ATOM 400 N LYS A 29 75.759 6.078 -14.839 1.00 0.00 N ATOM 401 CA LYS A 29 76.657 5.179 -14.105 1.00 0.00 C ATOM 402 C LYS A 29 75.879 4.089 -13.374 1.00 0.00 C ATOM 403 O LYS A 29 74.852 4.353 -12.750 1.00 0.00 O ATOM 404 CB LYS A 29 77.452 5.994 -13.076 1.00 0.00 C ATOM 405 CG LYS A 29 78.598 6.771 -13.751 1.00 0.00 C ATOM 406 CD LYS A 29 79.808 5.850 -14.048 1.00 0.00 C ATOM 407 CE LYS A 29 81.108 6.682 -14.074 1.00 0.00 C ATOM 408 NZ LYS A 29 82.114 6.036 -14.965 1.00 0.00 N1+ ATOM 0 H LYS A 29 75.308 6.789 -14.264 1.00 0.00 H new ATOM 0 HA LYS A 29 77.325 4.704 -14.824 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.786 6.691 -12.567 1.00 0.00 H new ATOM 0 HB3 LYS A 29 77.859 5.328 -12.315 1.00 0.00 H new ATOM 0 HG2 LYS A 29 78.241 7.215 -14.680 1.00 0.00 H new ATOM 0 HG3 LYS A 29 78.913 7.591 -13.106 1.00 0.00 H new ATOM 0 HD2 LYS A 29 79.879 5.072 -13.288 1.00 0.00 H new ATOM 0 HD3 LYS A 29 79.668 5.348 -15.005 1.00 0.00 H new ATOM 0 HE2 LYS A 29 80.895 7.692 -14.425 1.00 0.00 H new ATOM 0 HE3 LYS A 29 81.510 6.773 -13.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 83.060 6.410 -14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 82.105 5.008 -14.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 81.879 6.239 -15.958 1.00 0.00 H new ATOM 422 N THR A 30 76.429 2.874 -13.400 1.00 0.00 N ATOM 423 CA THR A 30 75.846 1.746 -12.672 1.00 0.00 C ATOM 424 C THR A 30 76.844 1.275 -11.616 1.00 0.00 C ATOM 425 O THR A 30 78.043 1.530 -11.731 1.00 0.00 O ATOM 426 CB THR A 30 75.506 0.591 -13.633 1.00 0.00 C ATOM 427 OG1 THR A 30 75.138 1.125 -14.899 1.00 0.00 O ATOM 428 CG2 THR A 30 74.342 -0.228 -13.064 1.00 0.00 C ATOM 0 H THR A 30 77.278 2.646 -13.918 1.00 0.00 H new ATOM 0 HA THR A 30 74.921 2.066 -12.193 1.00 0.00 H new ATOM 0 HB THR A 30 76.377 -0.054 -13.748 1.00 0.00 H new ATOM 0 HG1 THR A 30 75.942 1.413 -15.379 1.00 0.00 H new ATOM 0 HG21 THR A 30 74.104 -1.044 -13.746 1.00 0.00 H new ATOM 0 HG22 THR A 30 74.625 -0.637 -12.094 1.00 0.00 H new ATOM 0 HG23 THR A 30 73.469 0.414 -12.947 1.00 0.00 H new ATOM 436 N CYS A 31 76.349 0.611 -10.581 1.00 0.00 N ATOM 437 CA CYS A 31 77.215 0.148 -9.507 1.00 0.00 C ATOM 438 C CYS A 31 78.223 -0.879 -10.018 1.00 0.00 C ATOM 439 O CYS A 31 79.366 -0.889 -9.565 1.00 0.00 O ATOM 440 CB CYS A 31 76.351 -0.453 -8.382 1.00 0.00 C ATOM 441 SG CYS A 31 77.104 -0.099 -6.772 1.00 0.00 S ATOM 0 H CYS A 31 75.362 0.383 -10.463 1.00 0.00 H new ATOM 0 HA CYS A 31 77.779 0.995 -9.117 1.00 0.00 H new ATOM 0 HB2 CYS A 31 75.345 -0.036 -8.422 1.00 0.00 H new ATOM 0 HB3 CYS A 31 76.256 -1.530 -8.520 1.00 0.00 H new ATOM 446 N GLN A 32 77.800 -1.785 -10.900 1.00 0.00 N ATOM 447 CA GLN A 32 78.706 -2.843 -11.358 1.00 0.00 C ATOM 448 C GLN A 32 79.460 -2.452 -12.633 1.00 0.00 C ATOM 449 O GLN A 32 80.537 -2.985 -12.902 1.00 0.00 O ATOM 450 CB GLN A 32 77.921 -4.139 -11.585 1.00 0.00 C ATOM 451 CG GLN A 32 78.873 -5.271 -11.977 1.00 0.00 C ATOM 452 CD GLN A 32 78.082 -6.556 -12.196 1.00 0.00 C ATOM 453 OE1 GLN A 32 77.851 -6.956 -13.337 1.00 0.00 O ATOM 454 NE2 GLN A 32 77.636 -7.221 -11.166 1.00 0.00 N ATOM 0 H GLN A 32 76.863 -1.811 -11.303 1.00 0.00 H new ATOM 0 HA GLN A 32 79.451 -2.996 -10.578 1.00 0.00 H new ATOM 0 HB2 GLN A 32 77.378 -4.408 -10.679 1.00 0.00 H new ATOM 0 HB3 GLN A 32 77.178 -3.991 -12.369 1.00 0.00 H new ATOM 0 HG2 GLN A 32 79.414 -5.006 -12.886 1.00 0.00 H new ATOM 0 HG3 GLN A 32 79.618 -5.420 -11.195 1.00 0.00 H new ATOM 0 HE21 GLN A 32 77.829 -6.888 -10.221 1.00 0.00 H new ATOM 0 HE22 GLN A 32 77.095 -8.074 -11.305 1.00 0.00 H new ATOM 463 N ASN A 33 78.892 -1.550 -13.435 1.00 0.00 N ATOM 464 CA ASN A 33 79.543 -1.160 -14.698 1.00 0.00 C ATOM 465 C ASN A 33 80.333 0.140 -14.526 1.00 0.00 C ATOM 466 O ASN A 33 80.839 0.689 -15.504 1.00 0.00 O ATOM 467 CB ASN A 33 78.474 -1.015 -15.819 1.00 0.00 C ATOM 468 CG ASN A 33 78.125 0.455 -16.110 1.00 0.00 C ATOM 469 OD1 ASN A 33 77.623 1.167 -15.245 1.00 0.00 O ATOM 470 ND2 ASN A 33 78.381 0.948 -17.294 1.00 0.00 N ATOM 0 H ASN A 33 78.005 -1.083 -13.245 1.00 0.00 H new ATOM 0 HA ASN A 33 80.248 -1.940 -14.985 1.00 0.00 H new ATOM 0 HB2 ASN A 33 78.842 -1.486 -16.731 1.00 0.00 H new ATOM 0 HB3 ASN A 33 77.570 -1.549 -15.527 1.00 0.00 H new ATOM 0 HD21 ASN A 33 78.164 1.923 -17.498 1.00 0.00 H new ATOM 0 HD22 ASN A 33 78.798 0.357 -18.013 1.00 0.00 H new ATOM 477 N TYR A 34 80.375 0.664 -13.301 1.00 0.00 N ATOM 478 CA TYR A 34 81.053 1.935 -13.032 1.00 0.00 C ATOM 479 C TYR A 34 82.310 2.093 -13.894 1.00 0.00 C ATOM 480 O TYR A 34 82.356 2.946 -14.780 1.00 0.00 O ATOM 481 CB TYR A 34 81.433 2.022 -11.546 1.00 0.00 C ATOM 482 CG TYR A 34 81.581 3.470 -11.124 1.00 0.00 C ATOM 483 CD1 TYR A 34 82.711 4.206 -11.506 1.00 0.00 C ATOM 484 CD2 TYR A 34 80.588 4.071 -10.340 1.00 0.00 C ATOM 485 CE1 TYR A 34 82.845 5.542 -11.102 1.00 0.00 C ATOM 486 CE2 TYR A 34 80.722 5.405 -9.939 1.00 0.00 C ATOM 487 CZ TYR A 34 81.851 6.141 -10.319 1.00 0.00 C ATOM 488 OH TYR A 34 81.983 7.455 -9.921 1.00 0.00 O ATOM 0 H TYR A 34 79.950 0.231 -12.481 1.00 0.00 H new ATOM 0 HA TYR A 34 80.364 2.741 -13.284 1.00 0.00 H new ATOM 0 HB2 TYR A 34 80.669 1.536 -10.939 1.00 0.00 H new ATOM 0 HB3 TYR A 34 82.367 1.488 -11.371 1.00 0.00 H new ATOM 0 HD1 TYR A 34 83.478 3.745 -12.111 1.00 0.00 H new ATOM 0 HD2 TYR A 34 79.718 3.504 -10.045 1.00 0.00 H new ATOM 0 HE1 TYR A 34 83.716 6.109 -11.395 1.00 0.00 H new ATOM 0 HE2 TYR A 34 79.954 5.867 -9.336 1.00 0.00 H new ATOM 0 HH TYR A 34 81.205 7.714 -9.385 1.00 0.00 H new ATOM 498 N ASP A 35 83.323 1.263 -13.639 1.00 0.00 N ATOM 499 CA ASP A 35 84.569 1.324 -14.402 1.00 0.00 C ATOM 500 C ASP A 35 84.462 0.520 -15.697 1.00 0.00 C ATOM 501 O ASP A 35 85.483 0.214 -16.315 1.00 0.00 O ATOM 502 CB ASP A 35 85.741 0.774 -13.542 1.00 0.00 C ATOM 503 CG ASP A 35 86.579 1.907 -12.947 1.00 0.00 C ATOM 504 OD1 ASP A 35 86.069 2.613 -12.093 1.00 0.00 O1- ATOM 505 OD2 ASP A 35 87.722 2.046 -13.353 1.00 0.00 O ATOM 0 H ASP A 35 83.305 0.545 -12.915 1.00 0.00 H new ATOM 0 HA ASP A 35 84.759 2.366 -14.659 1.00 0.00 H new ATOM 0 HB2 ASP A 35 85.344 0.153 -12.739 1.00 0.00 H new ATOM 0 HB3 ASP A 35 86.375 0.134 -14.156 1.00 0.00 H new ATOM 510 N LEU A 36 83.239 0.175 -16.125 1.00 0.00 N ATOM 511 CA LEU A 36 83.062 -0.598 -17.361 1.00 0.00 C ATOM 512 C LEU A 36 82.389 0.281 -18.414 1.00 0.00 C ATOM 513 O LEU A 36 81.348 0.884 -18.161 1.00 0.00 O ATOM 514 CB LEU A 36 82.220 -1.860 -17.077 1.00 0.00 C ATOM 515 CG LEU A 36 82.511 -2.996 -18.090 1.00 0.00 C ATOM 516 CD1 LEU A 36 82.600 -2.473 -19.528 1.00 0.00 C ATOM 517 CD2 LEU A 36 83.824 -3.710 -17.723 1.00 0.00 C ATOM 0 H LEU A 36 82.372 0.414 -15.643 1.00 0.00 H new ATOM 0 HA LEU A 36 84.033 -0.917 -17.739 1.00 0.00 H new ATOM 0 HB2 LEU A 36 82.427 -2.214 -16.067 1.00 0.00 H new ATOM 0 HB3 LEU A 36 81.161 -1.604 -17.114 1.00 0.00 H new ATOM 0 HG LEU A 36 81.679 -3.698 -18.037 1.00 0.00 H new ATOM 0 HD11 LEU A 36 82.805 -3.302 -20.205 1.00 0.00 H new ATOM 0 HD12 LEU A 36 81.655 -2.005 -19.804 1.00 0.00 H new ATOM 0 HD13 LEU A 36 83.403 -1.739 -19.599 1.00 0.00 H new ATOM 0 HD21 LEU A 36 84.018 -4.506 -18.442 1.00 0.00 H new ATOM 0 HD22 LEU A 36 84.646 -2.994 -17.744 1.00 0.00 H new ATOM 0 HD23 LEU A 36 83.739 -4.136 -16.723 1.00 0.00 H new ATOM 529 N GLU A 37 83.011 0.370 -19.582 1.00 0.00 N ATOM 530 CA GLU A 37 82.488 1.207 -20.655 1.00 0.00 C ATOM 531 C GLU A 37 81.086 0.747 -21.065 1.00 0.00 C ATOM 532 O GLU A 37 80.897 -0.380 -21.521 1.00 0.00 O ATOM 533 CB GLU A 37 83.440 1.162 -21.849 1.00 0.00 C ATOM 534 CG GLU A 37 84.868 1.594 -21.440 1.00 0.00 C ATOM 535 CD GLU A 37 85.668 0.396 -20.920 1.00 0.00 C ATOM 536 OE1 GLU A 37 85.084 -0.659 -20.757 1.00 0.00 O ATOM 537 OE2 GLU A 37 86.861 0.552 -20.708 1.00 0.00 O1- ATOM 0 H GLU A 37 83.874 -0.124 -19.811 1.00 0.00 H new ATOM 0 HA GLU A 37 82.413 2.234 -20.299 1.00 0.00 H new ATOM 0 HB2 GLU A 37 83.466 0.153 -22.260 1.00 0.00 H new ATOM 0 HB3 GLU A 37 83.070 1.817 -22.638 1.00 0.00 H new ATOM 0 HG2 GLU A 37 85.379 2.035 -22.296 1.00 0.00 H new ATOM 0 HG3 GLU A 37 84.814 2.363 -20.670 1.00 0.00 H new ATOM 544 N CYS A 38 80.111 1.641 -20.903 1.00 0.00 N ATOM 545 CA CYS A 38 78.723 1.337 -21.258 1.00 0.00 C ATOM 546 C CYS A 38 78.600 1.125 -22.763 1.00 0.00 C ATOM 547 O CYS A 38 79.588 1.227 -23.489 1.00 0.00 O ATOM 548 CB CYS A 38 77.812 2.499 -20.838 1.00 0.00 C ATOM 549 SG CYS A 38 78.307 4.000 -21.731 1.00 0.00 S ATOM 0 H CYS A 38 80.255 2.579 -20.529 1.00 0.00 H new ATOM 0 HA CYS A 38 78.421 0.427 -20.739 1.00 0.00 H new ATOM 0 HB2 CYS A 38 76.772 2.258 -21.056 1.00 0.00 H new ATOM 0 HB3 CYS A 38 77.883 2.662 -19.763 1.00 0.00 H new ATOM 554 N MET A 39 77.381 0.855 -23.229 1.00 0.00 N ATOM 555 CA MET A 39 77.150 0.671 -24.659 1.00 0.00 C ATOM 556 C MET A 39 77.554 1.956 -25.394 1.00 0.00 C ATOM 557 O MET A 39 78.484 2.646 -24.983 1.00 0.00 O ATOM 558 CB MET A 39 75.664 0.351 -24.914 1.00 0.00 C ATOM 559 CG MET A 39 75.499 -0.440 -26.221 1.00 0.00 C ATOM 560 SD MET A 39 73.731 -0.592 -26.614 1.00 0.00 S ATOM 561 CE MET A 39 73.474 1.028 -27.397 1.00 0.00 C ATOM 0 H MET A 39 76.550 0.760 -22.646 1.00 0.00 H new ATOM 0 HA MET A 39 77.748 -0.162 -25.028 1.00 0.00 H new ATOM 0 HB2 MET A 39 75.262 -0.225 -24.081 1.00 0.00 H new ATOM 0 HB3 MET A 39 75.091 1.277 -24.968 1.00 0.00 H new ATOM 0 HG2 MET A 39 76.021 0.065 -27.033 1.00 0.00 H new ATOM 0 HG3 MET A 39 75.947 -1.429 -26.120 1.00 0.00 H new ATOM 0 HE1 MET A 39 72.476 1.067 -27.834 1.00 0.00 H new ATOM 0 HE2 MET A 39 73.572 1.814 -26.648 1.00 0.00 H new ATOM 0 HE3 MET A 39 74.219 1.177 -28.179 1.00 0.00 H new ATOM 571 N SER A 40 76.830 2.287 -26.460 1.00 0.00 N ATOM 572 CA SER A 40 77.101 3.512 -27.216 1.00 0.00 C ATOM 573 C SER A 40 76.278 4.672 -26.652 1.00 0.00 C ATOM 574 O SER A 40 76.435 5.816 -27.074 1.00 0.00 O ATOM 575 CB SER A 40 76.770 3.291 -28.700 1.00 0.00 C ATOM 576 OG SER A 40 77.924 2.796 -29.367 1.00 0.00 O ATOM 0 H SER A 40 76.055 1.730 -26.820 1.00 0.00 H new ATOM 0 HA SER A 40 78.158 3.762 -27.125 1.00 0.00 H new ATOM 0 HB2 SER A 40 75.946 2.584 -28.800 1.00 0.00 H new ATOM 0 HB3 SER A 40 76.445 4.226 -29.156 1.00 0.00 H new ATOM 0 HG SER A 40 77.718 2.652 -30.314 1.00 0.00 H new ATOM 582 N MET A 41 75.385 4.347 -25.720 1.00 0.00 N ATOM 583 CA MET A 41 74.502 5.338 -25.096 1.00 0.00 C ATOM 584 C MET A 41 73.536 5.927 -26.115 1.00 0.00 C ATOM 585 O MET A 41 73.448 7.146 -26.270 1.00 0.00 O ATOM 586 CB MET A 41 75.323 6.471 -24.457 1.00 0.00 C ATOM 587 CG MET A 41 74.451 7.434 -23.581 1.00 0.00 C ATOM 588 SD MET A 41 72.694 6.959 -23.523 1.00 0.00 S ATOM 589 CE MET A 41 72.153 8.138 -22.254 1.00 0.00 C ATOM 0 H MET A 41 75.251 3.396 -25.376 1.00 0.00 H new ATOM 0 HA MET A 41 73.930 4.827 -24.321 1.00 0.00 H new ATOM 0 HB2 MET A 41 76.111 6.039 -23.840 1.00 0.00 H new ATOM 0 HB3 MET A 41 75.813 7.046 -25.243 1.00 0.00 H new ATOM 0 HG2 MET A 41 74.849 7.452 -22.567 1.00 0.00 H new ATOM 0 HG3 MET A 41 74.534 8.447 -23.974 1.00 0.00 H new ATOM 0 HE1 MET A 41 71.087 8.009 -22.068 1.00 0.00 H new ATOM 0 HE2 MET A 41 72.706 7.959 -21.332 1.00 0.00 H new ATOM 0 HE3 MET A 41 72.341 9.155 -22.598 1.00 0.00 H new ATOM 599 N GLY A 42 72.786 5.058 -26.775 1.00 0.00 N ATOM 600 CA GLY A 42 71.796 5.509 -27.739 1.00 0.00 C ATOM 601 C GLY A 42 70.632 6.174 -27.020 1.00 0.00 C ATOM 602 O GLY A 42 70.216 5.730 -25.951 1.00 0.00 O ATOM 0 H GLY A 42 72.843 4.046 -26.662 1.00 0.00 H new ATOM 0 HA2 GLY A 42 72.251 6.211 -28.438 1.00 0.00 H new ATOM 0 HA3 GLY A 42 71.436 4.663 -28.325 1.00 0.00 H new ATOM 606 N CYS A 43 70.107 7.237 -27.610 1.00 0.00 N ATOM 607 CA CYS A 43 68.986 7.941 -27.013 1.00 0.00 C ATOM 608 C CYS A 43 67.794 6.987 -26.886 1.00 0.00 C ATOM 609 O CYS A 43 67.061 6.756 -27.849 1.00 0.00 O ATOM 610 CB CYS A 43 68.658 9.190 -27.875 1.00 0.00 C ATOM 611 SG CYS A 43 66.866 9.409 -28.090 1.00 0.00 S ATOM 0 H CYS A 43 70.436 7.627 -28.493 1.00 0.00 H new ATOM 0 HA CYS A 43 69.233 8.285 -26.009 1.00 0.00 H new ATOM 0 HB2 CYS A 43 69.079 10.078 -27.403 1.00 0.00 H new ATOM 0 HB3 CYS A 43 69.132 9.093 -28.852 1.00 0.00 H new ATOM 616 N VAL A 44 67.613 6.430 -25.681 1.00 0.00 N ATOM 617 CA VAL A 44 66.503 5.508 -25.414 1.00 0.00 C ATOM 618 C VAL A 44 65.521 6.178 -24.466 1.00 0.00 C ATOM 619 O VAL A 44 65.876 6.559 -23.352 1.00 0.00 O ATOM 620 CB VAL A 44 67.026 4.206 -24.771 1.00 0.00 C ATOM 621 CG1 VAL A 44 67.538 4.498 -23.346 1.00 0.00 C ATOM 622 CG2 VAL A 44 65.892 3.135 -24.722 1.00 0.00 C ATOM 0 H VAL A 44 68.219 6.602 -24.879 1.00 0.00 H new ATOM 0 HA VAL A 44 66.010 5.261 -26.354 1.00 0.00 H new ATOM 0 HB VAL A 44 67.847 3.818 -25.374 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.906 3.576 -22.896 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.347 5.228 -23.392 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.724 4.897 -22.741 1.00 0.00 H new ATOM 0 HG21 VAL A 44 66.274 2.221 -24.266 1.00 0.00 H new ATOM 0 HG22 VAL A 44 65.058 3.514 -24.131 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.551 2.920 -25.735 1.00 0.00 H new ATOM 632 N SER A 45 64.292 6.341 -24.931 1.00 0.00 N ATOM 633 CA SER A 45 63.266 6.986 -24.128 1.00 0.00 C ATOM 634 C SER A 45 62.910 6.127 -22.919 1.00 0.00 C ATOM 635 O SER A 45 62.314 5.059 -23.057 1.00 0.00 O ATOM 636 CB SER A 45 62.018 7.219 -24.982 1.00 0.00 C ATOM 637 OG SER A 45 60.874 7.266 -24.139 1.00 0.00 O ATOM 0 H SER A 45 63.982 6.038 -25.854 1.00 0.00 H new ATOM 0 HA SER A 45 63.650 7.942 -23.772 1.00 0.00 H new ATOM 0 HB2 SER A 45 62.113 8.152 -25.538 1.00 0.00 H new ATOM 0 HB3 SER A 45 61.911 6.420 -25.716 1.00 0.00 H new ATOM 0 HG SER A 45 60.073 7.417 -24.683 1.00 0.00 H new ATOM 643 N GLY A 46 63.288 6.598 -21.733 1.00 0.00 N ATOM 644 CA GLY A 46 63.006 5.858 -20.508 1.00 0.00 C ATOM 645 C GLY A 46 63.526 6.596 -19.278 1.00 0.00 C ATOM 646 O GLY A 46 64.180 7.632 -19.390 1.00 0.00 O ATOM 0 H GLY A 46 63.785 7.478 -21.595 1.00 0.00 H new ATOM 0 HA2 GLY A 46 61.931 5.704 -20.414 1.00 0.00 H new ATOM 0 HA3 GLY A 46 63.466 4.871 -20.563 1.00 0.00 H new ATOM 650 N CYS A 47 63.223 6.052 -18.100 1.00 0.00 N ATOM 651 CA CYS A 47 63.650 6.662 -16.843 1.00 0.00 C ATOM 652 C CYS A 47 65.040 6.175 -16.443 1.00 0.00 C ATOM 653 O CYS A 47 65.341 4.985 -16.525 1.00 0.00 O ATOM 654 CB CYS A 47 62.664 6.305 -15.730 1.00 0.00 C ATOM 655 SG CYS A 47 62.543 4.503 -15.581 1.00 0.00 S ATOM 0 H CYS A 47 62.685 5.192 -17.991 1.00 0.00 H new ATOM 0 HA CYS A 47 63.679 7.742 -16.987 1.00 0.00 H new ATOM 0 HB2 CYS A 47 62.994 6.737 -14.785 1.00 0.00 H new ATOM 0 HB3 CYS A 47 61.684 6.729 -15.949 1.00 0.00 H new ATOM 660 N LEU A 48 65.874 7.105 -15.980 1.00 0.00 N ATOM 661 CA LEU A 48 67.227 6.773 -15.527 1.00 0.00 C ATOM 662 C LEU A 48 67.556 7.556 -14.259 1.00 0.00 C ATOM 663 O LEU A 48 67.052 8.656 -14.056 1.00 0.00 O ATOM 664 CB LEU A 48 68.258 7.117 -16.616 1.00 0.00 C ATOM 665 CG LEU A 48 68.140 6.148 -17.824 1.00 0.00 C ATOM 666 CD1 LEU A 48 68.839 6.742 -19.079 1.00 0.00 C ATOM 667 CD2 LEU A 48 68.804 4.796 -17.488 1.00 0.00 C ATOM 0 H LEU A 48 65.638 8.095 -15.908 1.00 0.00 H new ATOM 0 HA LEU A 48 67.269 5.704 -15.320 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.107 8.143 -16.953 1.00 0.00 H new ATOM 0 HB3 LEU A 48 69.264 7.063 -16.199 1.00 0.00 H new ATOM 0 HG LEU A 48 67.080 6.004 -18.033 1.00 0.00 H new ATOM 0 HD11 LEU A 48 68.743 6.046 -19.912 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.370 7.690 -19.342 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.895 6.907 -18.864 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.715 4.125 -18.342 1.00 0.00 H new ATOM 0 HD22 LEU A 48 69.858 4.955 -17.260 1.00 0.00 H new ATOM 0 HD23 LEU A 48 68.309 4.352 -16.625 1.00 0.00 H new ATOM 679 N CYS A 49 68.385 6.957 -13.403 1.00 0.00 N ATOM 680 CA CYS A 49 68.778 7.574 -12.138 1.00 0.00 C ATOM 681 C CYS A 49 70.033 8.459 -12.327 1.00 0.00 C ATOM 682 O CYS A 49 71.123 7.929 -12.549 1.00 0.00 O ATOM 683 CB CYS A 49 69.072 6.456 -11.124 1.00 0.00 C ATOM 684 SG CYS A 49 67.526 5.968 -10.311 1.00 0.00 S ATOM 0 H CYS A 49 68.799 6.039 -13.566 1.00 0.00 H new ATOM 0 HA CYS A 49 67.970 8.210 -11.776 1.00 0.00 H new ATOM 0 HB2 CYS A 49 69.518 5.599 -11.629 1.00 0.00 H new ATOM 0 HB3 CYS A 49 69.794 6.801 -10.383 1.00 0.00 H new ATOM 689 N PRO A 50 69.919 9.780 -12.251 1.00 0.00 N ATOM 690 CA PRO A 50 71.100 10.689 -12.430 1.00 0.00 C ATOM 691 C PRO A 50 72.299 10.259 -11.573 1.00 0.00 C ATOM 692 O PRO A 50 72.248 9.228 -10.906 1.00 0.00 O ATOM 693 CB PRO A 50 70.574 12.067 -11.995 1.00 0.00 C ATOM 694 CG PRO A 50 69.090 12.006 -12.184 1.00 0.00 C ATOM 695 CD PRO A 50 68.683 10.544 -11.989 1.00 0.00 C ATOM 0 HA PRO A 50 71.471 10.678 -13.455 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.829 12.274 -10.956 1.00 0.00 H new ATOM 0 HB3 PRO A 50 71.014 12.863 -12.596 1.00 0.00 H new ATOM 0 HG2 PRO A 50 68.581 12.649 -11.465 1.00 0.00 H new ATOM 0 HG3 PRO A 50 68.811 12.356 -13.178 1.00 0.00 H new ATOM 0 HD2 PRO A 50 68.312 10.366 -10.979 1.00 0.00 H new ATOM 0 HD3 PRO A 50 67.886 10.258 -12.676 1.00 0.00 H new ATOM 703 N PRO A 51 73.371 11.027 -11.569 1.00 0.00 N ATOM 704 CA PRO A 51 74.586 10.695 -10.764 1.00 0.00 C ATOM 705 C PRO A 51 74.276 10.676 -9.264 1.00 0.00 C ATOM 706 O PRO A 51 73.452 11.455 -8.781 1.00 0.00 O ATOM 707 CB PRO A 51 75.594 11.810 -11.123 1.00 0.00 C ATOM 708 CG PRO A 51 75.069 12.429 -12.384 1.00 0.00 C ATOM 709 CD PRO A 51 73.552 12.279 -12.321 1.00 0.00 C ATOM 0 HA PRO A 51 74.973 9.701 -10.986 1.00 0.00 H new ATOM 0 HB2 PRO A 51 75.666 12.547 -10.323 1.00 0.00 H new ATOM 0 HB3 PRO A 51 76.594 11.403 -11.272 1.00 0.00 H new ATOM 0 HG2 PRO A 51 75.356 13.478 -12.453 1.00 0.00 H new ATOM 0 HG3 PRO A 51 75.475 11.929 -13.263 1.00 0.00 H new ATOM 0 HD2 PRO A 51 73.084 13.124 -11.816 1.00 0.00 H new ATOM 0 HD3 PRO A 51 73.111 12.219 -13.316 1.00 0.00 H new ATOM 717 N GLY A 52 74.928 9.768 -8.539 1.00 0.00 N ATOM 718 CA GLY A 52 74.706 9.626 -7.097 1.00 0.00 C ATOM 719 C GLY A 52 73.788 8.439 -6.819 1.00 0.00 C ATOM 720 O GLY A 52 74.115 7.558 -6.025 1.00 0.00 O ATOM 0 H GLY A 52 75.614 9.119 -8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 52 75.659 9.485 -6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 52 74.263 10.539 -6.698 1.00 0.00 H new ATOM 724 N MET A 53 72.647 8.419 -7.498 1.00 0.00 N ATOM 725 CA MET A 53 71.686 7.318 -7.344 1.00 0.00 C ATOM 726 C MET A 53 71.904 6.292 -8.456 1.00 0.00 C ATOM 727 O MET A 53 72.334 6.646 -9.555 1.00 0.00 O ATOM 728 CB MET A 53 70.245 7.857 -7.362 1.00 0.00 C ATOM 729 CG MET A 53 70.227 9.285 -6.829 1.00 0.00 C ATOM 730 SD MET A 53 68.522 9.756 -6.441 1.00 0.00 S ATOM 731 CE MET A 53 68.608 11.474 -7.004 1.00 0.00 C ATOM 0 H MET A 53 72.360 9.143 -8.157 1.00 0.00 H new ATOM 0 HA MET A 53 71.845 6.830 -6.382 1.00 0.00 H new ATOM 0 HB2 MET A 53 69.849 7.832 -8.377 1.00 0.00 H new ATOM 0 HB3 MET A 53 69.601 7.223 -6.753 1.00 0.00 H new ATOM 0 HG2 MET A 53 70.849 9.361 -5.937 1.00 0.00 H new ATOM 0 HG3 MET A 53 70.646 9.967 -7.569 1.00 0.00 H new ATOM 0 HE1 MET A 53 67.642 11.956 -6.851 1.00 0.00 H new ATOM 0 HE2 MET A 53 69.372 12.005 -6.436 1.00 0.00 H new ATOM 0 HE3 MET A 53 68.861 11.497 -8.064 1.00 0.00 H new ATOM 741 N VAL A 54 71.665 5.013 -8.151 1.00 0.00 N ATOM 742 CA VAL A 54 71.907 3.937 -9.126 1.00 0.00 C ATOM 743 C VAL A 54 70.727 2.959 -9.166 1.00 0.00 C ATOM 744 O VAL A 54 70.019 2.796 -8.175 1.00 0.00 O ATOM 745 CB VAL A 54 73.188 3.191 -8.721 1.00 0.00 C ATOM 746 CG1 VAL A 54 73.096 2.764 -7.231 1.00 0.00 C ATOM 747 CG2 VAL A 54 73.410 1.950 -9.627 1.00 0.00 C ATOM 0 H VAL A 54 71.309 4.696 -7.249 1.00 0.00 H new ATOM 0 HA VAL A 54 72.018 4.370 -10.120 1.00 0.00 H new ATOM 0 HB VAL A 54 74.039 3.860 -8.849 1.00 0.00 H new ATOM 0 HG11 VAL A 54 74.006 2.235 -6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 54 72.980 3.649 -6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 54 72.237 2.107 -7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 54 74.322 1.436 -9.323 1.00 0.00 H new ATOM 0 HG22 VAL A 54 72.562 1.272 -9.530 1.00 0.00 H new ATOM 0 HG23 VAL A 54 73.502 2.269 -10.665 1.00 0.00 H new ATOM 757 N ARG A 55 70.540 2.308 -10.317 1.00 0.00 N ATOM 758 CA ARG A 55 69.449 1.345 -10.490 1.00 0.00 C ATOM 759 C ARG A 55 69.719 0.081 -9.671 1.00 0.00 C ATOM 760 O ARG A 55 70.504 -0.772 -10.079 1.00 0.00 O ATOM 761 CB ARG A 55 69.370 0.910 -11.964 1.00 0.00 C ATOM 762 CG ARG A 55 68.113 0.014 -12.211 1.00 0.00 C ATOM 763 CD ARG A 55 66.933 0.814 -12.824 1.00 0.00 C ATOM 764 NE ARG A 55 65.725 0.585 -12.040 1.00 0.00 N ATOM 765 CZ ARG A 55 64.617 1.281 -12.273 1.00 0.00 C ATOM 766 NH1 ARG A 55 64.591 2.163 -13.234 1.00 0.00 N ATOM 767 NH2 ARG A 55 63.555 1.082 -11.541 1.00 0.00 N1+ ATOM 0 H ARG A 55 71.128 2.430 -11.141 1.00 0.00 H new ATOM 0 HA ARG A 55 68.525 1.825 -10.166 1.00 0.00 H new ATOM 0 HB2 ARG A 55 69.327 1.790 -12.606 1.00 0.00 H new ATOM 0 HB3 ARG A 55 70.272 0.362 -12.235 1.00 0.00 H new ATOM 0 HG2 ARG A 55 68.379 -0.806 -12.878 1.00 0.00 H new ATOM 0 HG3 ARG A 55 67.796 -0.432 -11.268 1.00 0.00 H new ATOM 0 HD2 ARG A 55 67.171 1.877 -12.840 1.00 0.00 H new ATOM 0 HD3 ARG A 55 66.771 0.508 -13.857 1.00 0.00 H new ATOM 0 HE ARG A 55 65.730 -0.119 -11.302 1.00 0.00 H new ATOM 0 HH11 ARG A 55 65.421 2.318 -13.806 1.00 0.00 H new ATOM 0 HH12 ARG A 55 63.741 2.697 -13.413 1.00 0.00 H new ATOM 0 HH21 ARG A 55 63.575 0.392 -10.790 1.00 0.00 H new ATOM 0 HH22 ARG A 55 62.705 1.616 -11.720 1.00 0.00 H new ATOM 781 N HIS A 56 69.034 -0.052 -8.538 1.00 0.00 N ATOM 782 CA HIS A 56 69.166 -1.238 -7.686 1.00 0.00 C ATOM 783 C HIS A 56 67.930 -2.143 -7.837 1.00 0.00 C ATOM 784 O HIS A 56 66.912 -1.944 -7.176 1.00 0.00 O ATOM 785 CB HIS A 56 69.335 -0.780 -6.220 1.00 0.00 C ATOM 786 CG HIS A 56 68.851 -1.833 -5.251 1.00 0.00 C ATOM 787 ND1 HIS A 56 67.927 -1.544 -4.260 1.00 0.00 N ATOM 788 CD2 HIS A 56 69.141 -3.170 -5.116 1.00 0.00 C ATOM 789 CE1 HIS A 56 67.691 -2.678 -3.579 1.00 0.00 C ATOM 790 NE2 HIS A 56 68.406 -3.701 -4.058 1.00 0.00 N ATOM 0 H HIS A 56 68.380 0.647 -8.185 1.00 0.00 H new ATOM 0 HA HIS A 56 70.040 -1.815 -7.987 1.00 0.00 H new ATOM 0 HB2 HIS A 56 70.385 -0.560 -6.025 1.00 0.00 H new ATOM 0 HB3 HIS A 56 68.781 0.145 -6.061 1.00 0.00 H new ATOM 0 HD2 HIS A 56 69.832 -3.723 -5.735 1.00 0.00 H new ATOM 0 HE1 HIS A 56 67.007 -2.754 -2.746 1.00 0.00 H new ATOM 0 HE2 HIS A 56 68.412 -4.664 -3.721 1.00 0.00 H new ATOM 798 N GLU A 57 68.065 -3.167 -8.671 1.00 0.00 N ATOM 799 CA GLU A 57 66.998 -4.151 -8.885 1.00 0.00 C ATOM 800 C GLU A 57 65.602 -3.520 -8.975 1.00 0.00 C ATOM 801 O GLU A 57 64.769 -3.706 -8.085 1.00 0.00 O ATOM 802 CB GLU A 57 67.013 -5.179 -7.753 1.00 0.00 C ATOM 803 CG GLU A 57 68.339 -5.942 -7.778 1.00 0.00 C ATOM 804 CD GLU A 57 68.273 -7.133 -6.831 1.00 0.00 C ATOM 805 OE1 GLU A 57 67.837 -6.949 -5.706 1.00 0.00 O ATOM 806 OE2 GLU A 57 68.655 -8.213 -7.246 1.00 0.00 O1- ATOM 0 H GLU A 57 68.909 -3.343 -9.217 1.00 0.00 H new ATOM 0 HA GLU A 57 67.198 -4.626 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 57 66.886 -4.680 -6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 57 66.179 -5.872 -7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 57 68.552 -6.284 -8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 57 69.154 -5.280 -7.487 1.00 0.00 H new ATOM 813 N ASN A 58 65.338 -2.825 -10.078 1.00 0.00 N ATOM 814 CA ASN A 58 64.021 -2.220 -10.314 1.00 0.00 C ATOM 815 C ASN A 58 63.750 -1.061 -9.345 1.00 0.00 C ATOM 816 O ASN A 58 62.748 -0.357 -9.472 1.00 0.00 O ATOM 817 CB ASN A 58 62.919 -3.283 -10.174 1.00 0.00 C ATOM 818 CG ASN A 58 63.392 -4.624 -10.733 1.00 0.00 C ATOM 819 OD1 ASN A 58 64.470 -4.710 -11.321 1.00 0.00 O ATOM 820 ND2 ASN A 58 62.640 -5.684 -10.584 1.00 0.00 N ATOM 0 H ASN A 58 66.014 -2.664 -10.824 1.00 0.00 H new ATOM 0 HA ASN A 58 64.017 -1.820 -11.328 1.00 0.00 H new ATOM 0 HB2 ASN A 58 62.646 -3.396 -9.125 1.00 0.00 H new ATOM 0 HB3 ASN A 58 62.023 -2.958 -10.703 1.00 0.00 H new ATOM 0 HD21 ASN A 58 62.947 -6.583 -10.955 1.00 0.00 H new ATOM 0 HD22 ASN A 58 61.747 -5.611 -10.097 1.00 0.00 H new ATOM 827 N ARG A 59 64.656 -0.865 -8.388 1.00 0.00 N ATOM 828 CA ARG A 59 64.551 0.212 -7.393 1.00 0.00 C ATOM 829 C ARG A 59 65.867 0.987 -7.388 1.00 0.00 C ATOM 830 O ARG A 59 66.895 0.421 -7.722 1.00 0.00 O ATOM 831 CB ARG A 59 64.291 -0.409 -6.004 1.00 0.00 C ATOM 832 CG ARG A 59 64.634 0.593 -4.887 1.00 0.00 C ATOM 833 CD ARG A 59 64.188 0.047 -3.529 1.00 0.00 C ATOM 834 NE ARG A 59 62.738 0.120 -3.395 1.00 0.00 N ATOM 835 CZ ARG A 59 62.153 -0.126 -2.229 1.00 0.00 C ATOM 836 NH1 ARG A 59 62.880 -0.458 -1.196 1.00 0.00 N ATOM 837 NH2 ARG A 59 60.857 -0.031 -2.112 1.00 0.00 N1+ ATOM 0 H ARG A 59 65.486 -1.447 -8.277 1.00 0.00 H new ATOM 0 HA ARG A 59 63.730 0.886 -7.636 1.00 0.00 H new ATOM 0 HB2 ARG A 59 63.246 -0.707 -5.923 1.00 0.00 H new ATOM 0 HB3 ARG A 59 64.890 -1.312 -5.886 1.00 0.00 H new ATOM 0 HG2 ARG A 59 65.707 0.782 -4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 59 64.144 1.547 -5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 59 64.516 -0.987 -3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 59 64.661 0.617 -2.729 1.00 0.00 H new ATOM 0 HE ARG A 59 62.168 0.362 -4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 59 63.894 -0.527 -1.287 1.00 0.00 H new ATOM 0 HH12 ARG A 59 62.434 -0.648 -0.298 1.00 0.00 H new ATOM 0 HH21 ARG A 59 60.290 0.233 -2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 59 60.411 -0.221 -1.215 1.00 0.00 H new ATOM 851 N CYS A 60 65.842 2.271 -7.004 1.00 0.00 N ATOM 852 CA CYS A 60 67.073 3.081 -6.967 1.00 0.00 C ATOM 853 C CYS A 60 67.447 3.467 -5.529 1.00 0.00 C ATOM 854 O CYS A 60 66.584 3.650 -4.671 1.00 0.00 O ATOM 855 CB CYS A 60 66.895 4.349 -7.838 1.00 0.00 C ATOM 856 SG CYS A 60 67.970 4.275 -9.301 1.00 0.00 S ATOM 0 H CYS A 60 64.998 2.767 -6.718 1.00 0.00 H new ATOM 0 HA CYS A 60 67.888 2.480 -7.370 1.00 0.00 H new ATOM 0 HB2 CYS A 60 65.854 4.440 -8.149 1.00 0.00 H new ATOM 0 HB3 CYS A 60 67.131 5.236 -7.251 1.00 0.00 H new ATOM 861 N VAL A 61 68.757 3.597 -5.296 1.00 0.00 N ATOM 862 CA VAL A 61 69.282 3.982 -3.984 1.00 0.00 C ATOM 863 C VAL A 61 70.580 4.776 -4.137 1.00 0.00 C ATOM 864 O VAL A 61 71.260 4.677 -5.157 1.00 0.00 O ATOM 865 CB VAL A 61 69.534 2.742 -3.122 1.00 0.00 C ATOM 866 CG1 VAL A 61 70.736 1.959 -3.674 1.00 0.00 C ATOM 867 CG2 VAL A 61 69.820 3.176 -1.677 1.00 0.00 C ATOM 0 H VAL A 61 69.475 3.440 -6.003 1.00 0.00 H new ATOM 0 HA VAL A 61 68.539 4.610 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 61 68.652 2.102 -3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 61 70.911 1.078 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 61 70.529 1.649 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 61 71.622 2.594 -3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 61 70.000 2.295 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 61 70.701 3.818 -1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 61 68.963 3.724 -1.285 1.00 0.00 H new ATOM 877 N ALA A 62 70.916 5.563 -3.119 1.00 0.00 N ATOM 878 CA ALA A 62 72.133 6.373 -3.159 1.00 0.00 C ATOM 879 C ALA A 62 73.392 5.498 -3.138 1.00 0.00 C ATOM 880 O ALA A 62 73.380 4.372 -2.640 1.00 0.00 O ATOM 881 CB ALA A 62 72.154 7.358 -1.982 1.00 0.00 C ATOM 0 H ALA A 62 70.370 5.658 -2.263 1.00 0.00 H new ATOM 0 HA ALA A 62 72.130 6.932 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 62 73.065 7.955 -2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 62 71.287 8.015 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 62 72.125 6.804 -1.044 1.00 0.00 H new ATOM 887 N LEU A 63 74.454 6.016 -3.753 1.00 0.00 N ATOM 888 CA LEU A 63 75.711 5.281 -3.885 1.00 0.00 C ATOM 889 C LEU A 63 76.305 4.927 -2.520 1.00 0.00 C ATOM 890 O LEU A 63 76.835 3.829 -2.342 1.00 0.00 O ATOM 891 CB LEU A 63 76.715 6.122 -4.699 1.00 0.00 C ATOM 892 CG LEU A 63 78.049 5.343 -4.904 1.00 0.00 C ATOM 893 CD1 LEU A 63 78.589 5.563 -6.329 1.00 0.00 C ATOM 894 CD2 LEU A 63 79.112 5.835 -3.909 1.00 0.00 C ATOM 0 H LEU A 63 74.469 6.947 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 63 75.505 4.346 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 63 76.284 6.375 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 63 76.913 7.061 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 63 77.844 4.285 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 63 79.521 5.012 -6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 63 77.857 5.208 -7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.772 6.626 -6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 63 80.039 5.282 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 63 79.293 6.898 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 63 78.759 5.674 -2.890 1.00 0.00 H new ATOM 906 N GLU A 64 76.260 5.858 -1.570 1.00 0.00 N ATOM 907 CA GLU A 64 76.846 5.610 -0.251 1.00 0.00 C ATOM 908 C GLU A 64 76.282 4.340 0.394 1.00 0.00 C ATOM 909 O GLU A 64 76.687 3.972 1.496 1.00 0.00 O ATOM 910 CB GLU A 64 76.630 6.816 0.691 1.00 0.00 C ATOM 911 CG GLU A 64 75.238 7.433 0.496 1.00 0.00 C ATOM 912 CD GLU A 64 74.152 6.462 0.948 1.00 0.00 C ATOM 913 OE1 GLU A 64 73.889 5.517 0.228 1.00 0.00 O1- ATOM 914 OE2 GLU A 64 73.591 6.688 2.009 1.00 0.00 O ATOM 0 H GLU A 64 75.832 6.777 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 64 77.916 5.468 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 64 76.747 6.497 1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 64 77.394 7.570 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.163 8.361 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.091 7.688 -0.553 1.00 0.00 H new ATOM 921 N ARG A 65 75.336 3.682 -0.278 1.00 0.00 N ATOM 922 CA ARG A 65 74.719 2.465 0.265 1.00 0.00 C ATOM 923 C ARG A 65 74.766 1.325 -0.749 1.00 0.00 C ATOM 924 O ARG A 65 74.255 0.234 -0.493 1.00 0.00 O ATOM 925 CB ARG A 65 73.276 2.775 0.682 1.00 0.00 C ATOM 926 CG ARG A 65 72.572 1.495 1.201 1.00 0.00 C ATOM 927 CD ARG A 65 71.538 1.833 2.306 1.00 0.00 C ATOM 928 NE ARG A 65 72.101 1.520 3.629 1.00 0.00 N ATOM 929 CZ ARG A 65 71.655 0.500 4.380 1.00 0.00 C ATOM 930 NH1 ARG A 65 70.652 -0.238 3.982 1.00 0.00 N ATOM 931 NH2 ARG A 65 72.223 0.239 5.527 1.00 0.00 N1+ ATOM 0 H ARG A 65 74.981 3.966 -1.191 1.00 0.00 H new ATOM 0 HA ARG A 65 75.281 2.139 1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 65 73.272 3.539 1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 65 72.725 3.181 -0.167 1.00 0.00 H new ATOM 0 HG2 ARG A 65 72.073 0.991 0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 65 73.316 0.802 1.595 1.00 0.00 H new ATOM 0 HD2 ARG A 65 71.270 2.888 2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 65 70.622 1.264 2.146 1.00 0.00 H new ATOM 0 HE ARG A 65 72.859 2.100 3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 65 70.197 -0.042 3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 65 70.324 -1.009 4.563 1.00 0.00 H new ATOM 0 HH21 ARG A 65 73.004 0.810 5.851 1.00 0.00 H new ATOM 0 HH22 ARG A 65 71.886 -0.535 6.099 1.00 0.00 H new ATOM 945 N CYS A 66 75.416 1.571 -1.881 1.00 0.00 N ATOM 946 CA CYS A 66 75.566 0.543 -2.910 1.00 0.00 C ATOM 947 C CYS A 66 76.316 -0.674 -2.325 1.00 0.00 C ATOM 948 O CYS A 66 77.383 -0.503 -1.732 1.00 0.00 O ATOM 949 CB CYS A 66 76.349 1.131 -4.104 1.00 0.00 C ATOM 950 SG CYS A 66 75.578 0.627 -5.665 1.00 0.00 S ATOM 0 H CYS A 66 75.846 2.467 -2.111 1.00 0.00 H new ATOM 0 HA CYS A 66 74.584 0.216 -3.251 1.00 0.00 H new ATOM 0 HB2 CYS A 66 76.370 2.219 -4.035 1.00 0.00 H new ATOM 0 HB3 CYS A 66 77.384 0.789 -4.074 1.00 0.00 H new ATOM 955 N PRO A 67 75.804 -1.881 -2.460 1.00 0.00 N ATOM 956 CA PRO A 67 76.486 -3.091 -1.904 1.00 0.00 C ATOM 957 C PRO A 67 77.748 -3.472 -2.681 1.00 0.00 C ATOM 958 O PRO A 67 77.828 -3.288 -3.896 1.00 0.00 O ATOM 959 CB PRO A 67 75.407 -4.184 -1.991 1.00 0.00 C ATOM 960 CG PRO A 67 74.522 -3.769 -3.124 1.00 0.00 C ATOM 961 CD PRO A 67 74.545 -2.236 -3.150 1.00 0.00 C ATOM 0 HA PRO A 67 76.847 -2.927 -0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 67 75.851 -5.162 -2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 67 74.846 -4.259 -1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 67 74.881 -4.179 -4.068 1.00 0.00 H new ATOM 0 HG3 PRO A 67 73.507 -4.140 -2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 67 74.529 -1.855 -4.171 1.00 0.00 H new ATOM 0 HD3 PRO A 67 73.679 -1.816 -2.639 1.00 0.00 H new ATOM 969 N CYS A 68 78.725 -4.024 -1.961 1.00 0.00 N ATOM 970 CA CYS A 68 79.973 -4.450 -2.581 1.00 0.00 C ATOM 971 C CYS A 68 79.747 -5.743 -3.360 1.00 0.00 C ATOM 972 O CYS A 68 78.620 -6.231 -3.450 1.00 0.00 O ATOM 973 CB CYS A 68 81.066 -4.667 -1.513 1.00 0.00 C ATOM 974 SG CYS A 68 80.705 -3.677 -0.043 1.00 0.00 S ATOM 0 H CYS A 68 78.674 -4.184 -0.955 1.00 0.00 H new ATOM 0 HA CYS A 68 80.306 -3.668 -3.264 1.00 0.00 H new ATOM 0 HB2 CYS A 68 81.120 -5.722 -1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 68 82.040 -4.390 -1.917 1.00 0.00 H new ATOM 979 N PHE A 69 80.815 -6.280 -3.938 1.00 0.00 N ATOM 980 CA PHE A 69 80.715 -7.501 -4.720 1.00 0.00 C ATOM 981 C PHE A 69 82.073 -8.195 -4.803 1.00 0.00 C ATOM 982 O PHE A 69 83.058 -7.598 -5.234 1.00 0.00 O ATOM 983 CB PHE A 69 80.199 -7.167 -6.130 1.00 0.00 C ATOM 984 CG PHE A 69 81.298 -6.529 -6.970 1.00 0.00 C ATOM 985 CD1 PHE A 69 81.914 -5.338 -6.549 1.00 0.00 C ATOM 986 CD2 PHE A 69 81.700 -7.131 -8.173 1.00 0.00 C ATOM 987 CE1 PHE A 69 82.923 -4.757 -7.327 1.00 0.00 C ATOM 988 CE2 PHE A 69 82.709 -6.545 -8.948 1.00 0.00 C ATOM 989 CZ PHE A 69 83.321 -5.360 -8.525 1.00 0.00 C ATOM 0 H PHE A 69 81.755 -5.889 -3.879 1.00 0.00 H new ATOM 0 HA PHE A 69 80.015 -8.179 -4.233 1.00 0.00 H new ATOM 0 HB2 PHE A 69 79.844 -8.075 -6.617 1.00 0.00 H new ATOM 0 HB3 PHE A 69 79.348 -6.489 -6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 69 81.609 -4.870 -5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 69 81.231 -8.047 -8.501 1.00 0.00 H new ATOM 0 HE1 PHE A 69 83.395 -3.842 -7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 69 83.015 -7.009 -9.874 1.00 0.00 H new ATOM 0 HZ PHE A 69 84.100 -4.911 -9.123 1.00 0.00 H new ATOM 999 N HIS A 70 82.114 -9.463 -4.396 1.00 0.00 N ATOM 1000 CA HIS A 70 83.352 -10.242 -4.441 1.00 0.00 C ATOM 1001 C HIS A 70 83.023 -11.713 -4.737 1.00 0.00 C ATOM 1002 O HIS A 70 82.229 -12.332 -4.036 1.00 0.00 O ATOM 1003 CB HIS A 70 84.114 -10.091 -3.091 1.00 0.00 C ATOM 1004 CG HIS A 70 85.466 -9.443 -3.300 1.00 0.00 C ATOM 1005 ND1 HIS A 70 85.609 -8.216 -3.930 1.00 0.00 N ATOM 1006 CD2 HIS A 70 86.739 -9.839 -2.963 1.00 0.00 C ATOM 1007 CE1 HIS A 70 86.922 -7.919 -3.953 1.00 0.00 C ATOM 1008 NE2 HIS A 70 87.655 -8.875 -3.376 1.00 0.00 N ATOM 0 H HIS A 70 81.308 -9.972 -4.033 1.00 0.00 H new ATOM 0 HA HIS A 70 83.997 -9.871 -5.237 1.00 0.00 H new ATOM 0 HB2 HIS A 70 83.522 -9.490 -2.400 1.00 0.00 H new ATOM 0 HB3 HIS A 70 84.244 -11.071 -2.631 1.00 0.00 H new ATOM 0 HD1 HIS A 70 84.855 -7.642 -4.308 1.00 0.00 H new ATOM 0 HD2 HIS A 70 86.990 -10.758 -2.455 1.00 0.00 H new ATOM 0 HE1 HIS A 70 87.332 -7.018 -4.385 1.00 0.00 H new ATOM 1016 N GLN A 71 83.633 -12.251 -5.790 1.00 0.00 N ATOM 1017 CA GLN A 71 83.415 -13.646 -6.189 1.00 0.00 C ATOM 1018 C GLN A 71 82.038 -13.840 -6.831 1.00 0.00 C ATOM 1019 O GLN A 71 81.505 -14.948 -6.847 1.00 0.00 O ATOM 1020 CB GLN A 71 83.565 -14.580 -4.974 1.00 0.00 C ATOM 1021 CG GLN A 71 83.779 -16.038 -5.430 1.00 0.00 C ATOM 1022 CD GLN A 71 84.485 -16.825 -4.330 1.00 0.00 C ATOM 1023 OE1 GLN A 71 83.958 -17.823 -3.838 1.00 0.00 O ATOM 1024 NE2 GLN A 71 85.658 -16.430 -3.916 1.00 0.00 N ATOM 0 H GLN A 71 84.285 -11.743 -6.387 1.00 0.00 H new ATOM 0 HA GLN A 71 84.171 -13.898 -6.932 1.00 0.00 H new ATOM 0 HB2 GLN A 71 84.408 -14.257 -4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 71 82.675 -14.516 -4.348 1.00 0.00 H new ATOM 0 HG2 GLN A 71 82.820 -16.501 -5.662 1.00 0.00 H new ATOM 0 HG3 GLN A 71 84.373 -16.060 -6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 71 86.092 -15.603 -4.326 1.00 0.00 H new ATOM 0 HE22 GLN A 71 86.141 -16.949 -3.183 1.00 0.00 H new ATOM 1033 N GLY A 72 81.498 -12.772 -7.411 1.00 0.00 N ATOM 1034 CA GLY A 72 80.216 -12.854 -8.113 1.00 0.00 C ATOM 1035 C GLY A 72 79.026 -12.829 -7.157 1.00 0.00 C ATOM 1036 O GLY A 72 77.877 -12.863 -7.597 1.00 0.00 O ATOM 0 H GLY A 72 81.923 -11.845 -7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 72 80.134 -12.022 -8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 72 80.186 -13.770 -8.703 1.00 0.00 H new ATOM 1040 N LYS A 73 79.295 -12.771 -5.853 1.00 0.00 N ATOM 1041 CA LYS A 73 78.224 -12.742 -4.848 1.00 0.00 C ATOM 1042 C LYS A 73 78.206 -11.387 -4.140 1.00 0.00 C ATOM 1043 O LYS A 73 79.234 -10.927 -3.646 1.00 0.00 O ATOM 1044 CB LYS A 73 78.460 -13.849 -3.810 1.00 0.00 C ATOM 1045 CG LYS A 73 78.516 -15.236 -4.491 1.00 0.00 C ATOM 1046 CD LYS A 73 77.097 -15.796 -4.689 1.00 0.00 C ATOM 1047 CE LYS A 73 77.151 -17.248 -5.229 1.00 0.00 C ATOM 1048 NZ LYS A 73 78.493 -17.545 -5.817 1.00 0.00 N1+ ATOM 0 H LYS A 73 80.238 -12.743 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 73 77.268 -12.902 -5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 73 79.393 -13.662 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.661 -13.835 -3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 73 79.019 -15.155 -5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 73 79.103 -15.923 -3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 73 76.557 -15.775 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 73 76.545 -15.164 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 73 76.939 -17.949 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 73 76.378 -17.389 -5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 78.467 -18.470 -6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 78.740 -16.808 -6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 79.207 -17.565 -5.061 1.00 0.00 H new ATOM 1062 N GLU A 74 77.033 -10.752 -4.092 1.00 0.00 N ATOM 1063 CA GLU A 74 76.898 -9.447 -3.433 1.00 0.00 C ATOM 1064 C GLU A 74 76.452 -9.642 -1.991 1.00 0.00 C ATOM 1065 O GLU A 74 76.004 -10.724 -1.616 1.00 0.00 O ATOM 1066 CB GLU A 74 75.887 -8.575 -4.190 1.00 0.00 C ATOM 1067 CG GLU A 74 74.451 -9.106 -3.980 1.00 0.00 C ATOM 1068 CD GLU A 74 73.798 -8.442 -2.768 1.00 0.00 C ATOM 1069 OE1 GLU A 74 73.257 -7.360 -2.930 1.00 0.00 O1- ATOM 1070 OE2 GLU A 74 73.845 -9.028 -1.699 1.00 0.00 O ATOM 0 H GLU A 74 76.170 -11.114 -4.497 1.00 0.00 H new ATOM 0 HA GLU A 74 77.864 -8.943 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 74 75.954 -7.544 -3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 74 76.127 -8.569 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 74 73.854 -8.914 -4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 74 74.475 -10.187 -3.839 1.00 0.00 H new ATOM 1077 N TYR A 75 76.604 -8.604 -1.172 1.00 0.00 N ATOM 1078 CA TYR A 75 76.239 -8.698 0.243 1.00 0.00 C ATOM 1079 C TYR A 75 75.501 -7.431 0.657 1.00 0.00 C ATOM 1080 O TYR A 75 75.848 -6.335 0.216 1.00 0.00 O ATOM 1081 CB TYR A 75 77.515 -8.880 1.091 1.00 0.00 C ATOM 1082 CG TYR A 75 78.587 -9.510 0.235 1.00 0.00 C ATOM 1083 CD1 TYR A 75 78.478 -10.850 -0.155 1.00 0.00 C ATOM 1084 CD2 TYR A 75 79.681 -8.746 -0.185 1.00 0.00 C ATOM 1085 CE1 TYR A 75 79.465 -11.424 -0.960 1.00 0.00 C ATOM 1086 CE2 TYR A 75 80.667 -9.319 -0.988 1.00 0.00 C ATOM 1087 CZ TYR A 75 80.559 -10.657 -1.375 1.00 0.00 C ATOM 1088 OH TYR A 75 81.532 -11.223 -2.161 1.00 0.00 O ATOM 0 H TYR A 75 76.973 -7.697 -1.457 1.00 0.00 H new ATOM 0 HA TYR A 75 75.586 -9.556 0.403 1.00 0.00 H new ATOM 0 HB2 TYR A 75 77.855 -7.917 1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 75 77.306 -9.509 1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 75 77.632 -11.439 0.166 1.00 0.00 H new ATOM 0 HD2 TYR A 75 79.762 -7.711 0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 75 79.384 -12.458 -1.261 1.00 0.00 H new ATOM 0 HE2 TYR A 75 81.513 -8.729 -1.310 1.00 0.00 H new ATOM 0 HH TYR A 75 81.113 -11.772 -2.856 1.00 0.00 H new ATOM 1098 N ALA A 76 74.479 -7.576 1.490 1.00 0.00 N ATOM 1099 CA ALA A 76 73.710 -6.416 1.921 1.00 0.00 C ATOM 1100 C ALA A 76 74.658 -5.291 2.354 1.00 0.00 C ATOM 1101 O ALA A 76 75.739 -5.562 2.875 1.00 0.00 O ATOM 1102 CB ALA A 76 72.790 -6.796 3.085 1.00 0.00 C ATOM 0 H ALA A 76 74.167 -8.468 1.875 1.00 0.00 H new ATOM 0 HA ALA A 76 73.101 -6.069 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 76 72.220 -5.921 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 76 72.104 -7.581 2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.390 -7.157 3.920 1.00 0.00 H new ATOM 1108 N PRO A 77 74.300 -4.043 2.146 1.00 0.00 N ATOM 1109 CA PRO A 77 75.182 -2.900 2.530 1.00 0.00 C ATOM 1110 C PRO A 77 75.634 -2.976 3.994 1.00 0.00 C ATOM 1111 O PRO A 77 74.830 -2.848 4.918 1.00 0.00 O ATOM 1112 CB PRO A 77 74.325 -1.639 2.251 1.00 0.00 C ATOM 1113 CG PRO A 77 72.926 -2.129 2.000 1.00 0.00 C ATOM 1114 CD PRO A 77 73.045 -3.576 1.528 1.00 0.00 C ATOM 0 HA PRO A 77 76.113 -2.899 1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 77 74.351 -0.955 3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 77 74.706 -1.092 1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 77 72.326 -2.066 2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 77 72.431 -1.516 1.247 1.00 0.00 H new ATOM 0 HD2 PRO A 77 72.193 -4.174 1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 77 73.086 -3.641 0.441 1.00 0.00 H new ATOM 1122 N GLY A 78 76.943 -3.173 4.177 1.00 0.00 N ATOM 1123 CA GLY A 78 77.542 -3.255 5.511 1.00 0.00 C ATOM 1124 C GLY A 78 77.616 -4.696 6.018 1.00 0.00 C ATOM 1125 O GLY A 78 77.999 -4.933 7.164 1.00 0.00 O ATOM 0 H GLY A 78 77.611 -3.279 3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 78 78.544 -2.828 5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 78 76.958 -2.655 6.208 1.00 0.00 H new ATOM 1129 N GLU A 79 77.284 -5.660 5.165 1.00 0.00 N ATOM 1130 CA GLU A 79 77.364 -7.064 5.565 1.00 0.00 C ATOM 1131 C GLU A 79 78.821 -7.528 5.504 1.00 0.00 C ATOM 1132 O GLU A 79 79.618 -7.001 4.728 1.00 0.00 O ATOM 1133 CB GLU A 79 76.492 -7.929 4.637 1.00 0.00 C ATOM 1134 CG GLU A 79 76.087 -9.246 5.342 1.00 0.00 C ATOM 1135 CD GLU A 79 74.790 -9.071 6.140 1.00 0.00 C ATOM 1136 OE1 GLU A 79 74.211 -7.997 6.085 1.00 0.00 O1- ATOM 1137 OE2 GLU A 79 74.390 -10.023 6.792 1.00 0.00 O ATOM 0 H GLU A 79 76.963 -5.502 4.210 1.00 0.00 H new ATOM 0 HA GLU A 79 76.995 -7.170 6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 79 75.599 -7.375 4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 79 77.038 -8.154 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 79 75.957 -10.034 4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 79 76.887 -9.565 6.009 1.00 0.00 H new ATOM 1144 N THR A 80 79.173 -8.483 6.363 1.00 0.00 N ATOM 1145 CA THR A 80 80.550 -8.978 6.450 1.00 0.00 C ATOM 1146 C THR A 80 80.684 -10.359 5.822 1.00 0.00 C ATOM 1147 O THR A 80 79.950 -11.286 6.165 1.00 0.00 O ATOM 1148 CB THR A 80 80.965 -9.046 7.922 1.00 0.00 C ATOM 1149 OG1 THR A 80 80.983 -7.731 8.460 1.00 0.00 O ATOM 1150 CG2 THR A 80 82.357 -9.667 8.044 1.00 0.00 C ATOM 0 H THR A 80 78.525 -8.931 7.010 1.00 0.00 H new ATOM 0 HA THR A 80 81.198 -8.293 5.903 1.00 0.00 H new ATOM 0 HB THR A 80 80.253 -9.662 8.472 1.00 0.00 H new ATOM 0 HG1 THR A 80 81.246 -7.767 9.403 1.00 0.00 H new ATOM 0 HG21 THR A 80 82.645 -9.712 9.094 1.00 0.00 H new ATOM 0 HG22 THR A 80 82.344 -10.675 7.628 1.00 0.00 H new ATOM 0 HG23 THR A 80 83.076 -9.058 7.496 1.00 0.00 H new ATOM 1158 N VAL A 81 81.653 -10.493 4.916 1.00 0.00 N ATOM 1159 CA VAL A 81 81.920 -11.769 4.252 1.00 0.00 C ATOM 1160 C VAL A 81 83.216 -12.359 4.784 1.00 0.00 C ATOM 1161 O VAL A 81 84.204 -11.648 4.966 1.00 0.00 O ATOM 1162 CB VAL A 81 82.020 -11.570 2.735 1.00 0.00 C ATOM 1163 CG1 VAL A 81 81.862 -12.920 2.025 1.00 0.00 C ATOM 1164 CG2 VAL A 81 80.913 -10.605 2.272 1.00 0.00 C ATOM 0 H VAL A 81 82.267 -9.732 4.625 1.00 0.00 H new ATOM 0 HA VAL A 81 81.099 -12.455 4.459 1.00 0.00 H new ATOM 0 HB VAL A 81 82.994 -11.149 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 81 81.934 -12.775 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 81 82.650 -13.598 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 81 80.890 -13.348 2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 81 80.982 -10.462 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 81 79.938 -11.024 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 81 81.034 -9.645 2.774 1.00 0.00 H new ATOM 1174 N LYS A 82 83.193 -13.658 5.081 1.00 0.00 N ATOM 1175 CA LYS A 82 84.355 -14.342 5.651 1.00 0.00 C ATOM 1176 C LYS A 82 84.638 -15.635 4.879 1.00 0.00 C ATOM 1177 O LYS A 82 83.722 -16.368 4.509 1.00 0.00 O ATOM 1178 CB LYS A 82 84.131 -14.654 7.165 1.00 0.00 C ATOM 1179 CG LYS A 82 82.625 -14.533 7.591 1.00 0.00 C ATOM 1180 CD LYS A 82 82.105 -15.860 8.180 1.00 0.00 C ATOM 1181 CE LYS A 82 81.769 -16.868 7.053 1.00 0.00 C ATOM 1182 NZ LYS A 82 82.501 -18.140 7.298 1.00 0.00 N1+ ATOM 0 H LYS A 82 82.382 -14.259 4.936 1.00 0.00 H new ATOM 0 HA LYS A 82 85.218 -13.681 5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 82 84.486 -15.662 7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 82 84.731 -13.970 7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 82 82.515 -13.737 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 82 82.021 -14.254 6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 82 82.856 -16.287 8.844 1.00 0.00 H new ATOM 0 HD3 LYS A 82 81.216 -15.672 8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 82 80.695 -17.053 7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 82 82.049 -16.455 6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 82.278 -18.820 6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 83.524 -17.955 7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 82.213 -18.535 8.216 1.00 0.00 H new ATOM 1196 N ILE A 83 85.918 -15.900 4.628 1.00 0.00 N ATOM 1197 CA ILE A 83 86.326 -17.104 3.905 1.00 0.00 C ATOM 1198 C ILE A 83 87.587 -17.713 4.527 1.00 0.00 C ATOM 1199 O ILE A 83 88.524 -16.996 4.877 1.00 0.00 O ATOM 1200 CB ILE A 83 86.542 -16.769 2.415 1.00 0.00 C ATOM 1201 CG1 ILE A 83 87.245 -17.951 1.715 1.00 0.00 C ATOM 1202 CG2 ILE A 83 87.378 -15.468 2.238 1.00 0.00 C ATOM 1203 CD1 ILE A 83 87.083 -17.839 0.189 1.00 0.00 C ATOM 0 H ILE A 83 86.690 -15.298 4.914 1.00 0.00 H new ATOM 0 HA ILE A 83 85.534 -17.849 3.981 1.00 0.00 H new ATOM 0 HB ILE A 83 85.567 -16.600 1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 83 88.303 -17.960 1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 83 86.823 -18.893 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 83 87.511 -15.262 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 83 86.856 -14.634 2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 83 88.353 -15.596 2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 83 87.584 -18.679 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 83 86.023 -17.853 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 83 87.527 -16.905 -0.156 1.00 0.00 H new ATOM 1215 N GLY A 84 87.613 -19.039 4.630 1.00 0.00 N ATOM 1216 CA GLY A 84 88.777 -19.736 5.172 1.00 0.00 C ATOM 1217 C GLY A 84 88.937 -19.506 6.673 1.00 0.00 C ATOM 1218 O GLY A 84 88.206 -20.083 7.481 1.00 0.00 O ATOM 0 H GLY A 84 86.847 -19.650 4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 84 88.682 -20.804 4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 84 89.675 -19.396 4.656 1.00 0.00 H new ATOM 1222 N CYS A 85 89.934 -18.697 7.042 1.00 0.00 N ATOM 1223 CA CYS A 85 90.228 -18.428 8.455 1.00 0.00 C ATOM 1224 C CYS A 85 90.233 -16.928 8.748 1.00 0.00 C ATOM 1225 O CYS A 85 90.175 -16.511 9.906 1.00 0.00 O ATOM 1226 CB CYS A 85 91.588 -19.045 8.814 1.00 0.00 C ATOM 1227 SG CYS A 85 91.593 -19.546 10.553 1.00 0.00 S ATOM 0 H CYS A 85 90.550 -18.218 6.385 1.00 0.00 H new ATOM 0 HA CYS A 85 89.445 -18.879 9.065 1.00 0.00 H new ATOM 0 HB2 CYS A 85 91.786 -19.907 8.177 1.00 0.00 H new ATOM 0 HB3 CYS A 85 92.385 -18.324 8.631 1.00 0.00 H new ATOM 1232 N ASN A 86 90.288 -16.125 7.692 1.00 0.00 N ATOM 1233 CA ASN A 86 90.286 -14.668 7.834 1.00 0.00 C ATOM 1234 C ASN A 86 88.868 -14.117 7.680 1.00 0.00 C ATOM 1235 O ASN A 86 87.974 -14.797 7.178 1.00 0.00 O ATOM 1236 CB ASN A 86 91.224 -14.041 6.789 1.00 0.00 C ATOM 1237 CG ASN A 86 90.936 -12.550 6.632 1.00 0.00 C ATOM 1238 OD1 ASN A 86 91.469 -11.694 7.461 1.00 0.00 O flip ATOM 1239 ND2 ASN A 86 90.198 -12.158 5.731 1.00 0.00 N flip ATOM 0 H ASN A 86 90.335 -16.454 6.728 1.00 0.00 H new ATOM 0 HA ASN A 86 90.645 -14.410 8.830 1.00 0.00 H new ATOM 0 HB2 ASN A 86 92.261 -14.186 7.090 1.00 0.00 H new ATOM 0 HB3 ASN A 86 91.097 -14.544 5.830 1.00 0.00 H new ATOM 0 HD21 ASN A 86 89.782 -12.828 5.084 1.00 0.00 H new ATOM 0 HD22 ASN A 86 90.001 -11.162 5.630 1.00 0.00 H new ATOM 1246 N THR A 87 88.688 -12.859 8.085 1.00 0.00 N ATOM 1247 CA THR A 87 87.397 -12.178 7.975 1.00 0.00 C ATOM 1248 C THR A 87 87.568 -10.867 7.217 1.00 0.00 C ATOM 1249 O THR A 87 88.498 -10.100 7.471 1.00 0.00 O ATOM 1250 CB THR A 87 86.831 -11.892 9.373 1.00 0.00 C ATOM 1251 OG1 THR A 87 85.871 -10.845 9.290 1.00 0.00 O ATOM 1252 CG2 THR A 87 87.960 -11.484 10.330 1.00 0.00 C ATOM 0 H THR A 87 89.426 -12.287 8.495 1.00 0.00 H new ATOM 0 HA THR A 87 86.704 -12.822 7.434 1.00 0.00 H new ATOM 0 HB THR A 87 86.355 -12.795 9.756 1.00 0.00 H new ATOM 0 HG1 THR A 87 85.508 -10.663 10.182 1.00 0.00 H new ATOM 0 HG21 THR A 87 87.545 -11.284 11.318 1.00 0.00 H new ATOM 0 HG22 THR A 87 88.688 -12.292 10.399 1.00 0.00 H new ATOM 0 HG23 THR A 87 88.449 -10.586 9.953 1.00 0.00 H new ATOM 1260 N CYS A 88 86.669 -10.636 6.263 1.00 0.00 N ATOM 1261 CA CYS A 88 86.716 -9.437 5.425 1.00 0.00 C ATOM 1262 C CYS A 88 85.374 -8.707 5.469 1.00 0.00 C ATOM 1263 O CYS A 88 84.315 -9.328 5.395 1.00 0.00 O ATOM 1264 CB CYS A 88 87.054 -9.866 3.998 1.00 0.00 C ATOM 1265 SG CYS A 88 88.583 -10.837 4.033 1.00 0.00 S ATOM 0 H CYS A 88 85.895 -11.266 6.049 1.00 0.00 H new ATOM 0 HA CYS A 88 87.477 -8.749 5.793 1.00 0.00 H new ATOM 0 HB2 CYS A 88 86.240 -10.457 3.578 1.00 0.00 H new ATOM 0 HB3 CYS A 88 87.176 -8.991 3.359 1.00 0.00 H new ATOM 1270 N VAL A 89 85.430 -7.380 5.606 1.00 0.00 N ATOM 1271 CA VAL A 89 84.222 -6.551 5.689 1.00 0.00 C ATOM 1272 C VAL A 89 84.343 -5.323 4.783 1.00 0.00 C ATOM 1273 O VAL A 89 85.440 -4.815 4.543 1.00 0.00 O ATOM 1274 CB VAL A 89 83.992 -6.140 7.164 1.00 0.00 C ATOM 1275 CG1 VAL A 89 85.344 -5.833 7.829 1.00 0.00 C ATOM 1276 CG2 VAL A 89 83.085 -4.896 7.249 1.00 0.00 C ATOM 0 H VAL A 89 86.302 -6.854 5.662 1.00 0.00 H new ATOM 0 HA VAL A 89 83.362 -7.124 5.342 1.00 0.00 H new ATOM 0 HB VAL A 89 83.503 -6.965 7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 89 85.181 -5.544 8.867 1.00 0.00 H new ATOM 0 HG12 VAL A 89 85.976 -6.720 7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 89 85.834 -5.017 7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 89 82.937 -4.625 8.294 1.00 0.00 H new ATOM 0 HG22 VAL A 89 83.555 -4.066 6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 89 82.121 -5.117 6.791 1.00 0.00 H new ATOM 1286 N CYS A 90 83.198 -4.879 4.266 1.00 0.00 N ATOM 1287 CA CYS A 90 83.153 -3.734 3.361 1.00 0.00 C ATOM 1288 C CYS A 90 83.557 -2.457 4.085 1.00 0.00 C ATOM 1289 O CYS A 90 82.968 -2.087 5.101 1.00 0.00 O ATOM 1290 CB CYS A 90 81.737 -3.573 2.796 1.00 0.00 C ATOM 1291 SG CYS A 90 81.458 -4.777 1.475 1.00 0.00 S ATOM 0 H CYS A 90 82.288 -5.297 4.460 1.00 0.00 H new ATOM 0 HA CYS A 90 83.856 -3.913 2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 90 81.002 -3.713 3.589 1.00 0.00 H new ATOM 0 HB3 CYS A 90 81.602 -2.562 2.412 1.00 0.00 H new ATOM 1296 N ARG A 91 84.556 -1.793 3.540 1.00 0.00 N ATOM 1297 CA ARG A 91 85.050 -0.550 4.108 1.00 0.00 C ATOM 1298 C ARG A 91 85.830 0.200 3.045 1.00 0.00 C ATOM 1299 O ARG A 91 86.896 -0.240 2.639 1.00 0.00 O ATOM 1300 CB ARG A 91 85.959 -0.857 5.298 1.00 0.00 C ATOM 1301 CG ARG A 91 86.454 0.452 5.915 1.00 0.00 C ATOM 1302 CD ARG A 91 87.059 0.174 7.292 1.00 0.00 C ATOM 1303 NE ARG A 91 86.001 -0.146 8.250 1.00 0.00 N ATOM 1304 CZ ARG A 91 85.357 0.814 8.914 1.00 0.00 C ATOM 1305 NH1 ARG A 91 85.675 2.067 8.725 1.00 0.00 N ATOM 1306 NH2 ARG A 91 84.410 0.505 9.757 1.00 0.00 N1+ ATOM 0 H ARG A 91 85.046 -2.094 2.698 1.00 0.00 H new ATOM 0 HA ARG A 91 84.214 0.061 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 91 85.416 -1.440 6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 91 86.806 -1.462 4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 91 87.199 0.913 5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.629 1.158 6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 91 87.765 -0.654 7.227 1.00 0.00 H new ATOM 0 HD3 ARG A 91 87.619 1.044 7.634 1.00 0.00 H new ATOM 0 HE ARG A 91 85.751 -1.121 8.413 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.417 2.312 8.069 1.00 0.00 H new ATOM 0 HH12 ARG A 91 85.182 2.801 9.234 1.00 0.00 H new ATOM 0 HH21 ARG A 91 84.161 -0.473 9.909 1.00 0.00 H new ATOM 0 HH22 ARG A 91 83.918 1.241 10.264 1.00 0.00 H new ATOM 1320 N ASP A 92 85.274 1.301 2.551 1.00 0.00 N ATOM 1321 CA ASP A 92 85.925 2.056 1.487 1.00 0.00 C ATOM 1322 C ASP A 92 86.129 1.182 0.249 1.00 0.00 C ATOM 1323 O ASP A 92 87.135 1.312 -0.447 1.00 0.00 O ATOM 1324 CB ASP A 92 87.271 2.616 1.963 1.00 0.00 C ATOM 1325 CG ASP A 92 87.733 3.738 1.037 1.00 0.00 C ATOM 1326 OD1 ASP A 92 87.322 4.865 1.254 1.00 0.00 O1- ATOM 1327 OD2 ASP A 92 88.493 3.453 0.125 1.00 0.00 O ATOM 0 H ASP A 92 84.384 1.687 2.866 1.00 0.00 H new ATOM 0 HA ASP A 92 85.275 2.890 1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 92 87.177 2.991 2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 92 88.017 1.821 1.984 1.00 0.00 H new ATOM 1332 N ARG A 93 85.164 0.291 -0.019 1.00 0.00 N ATOM 1333 CA ARG A 93 85.238 -0.595 -1.191 1.00 0.00 C ATOM 1334 C ARG A 93 86.484 -1.483 -1.129 1.00 0.00 C ATOM 1335 O ARG A 93 86.616 -2.440 -1.889 1.00 0.00 O ATOM 1336 CB ARG A 93 85.204 0.265 -2.479 1.00 0.00 C ATOM 1337 CG ARG A 93 85.688 -0.501 -3.733 1.00 0.00 C ATOM 1338 CD ARG A 93 84.759 -1.680 -4.072 1.00 0.00 C ATOM 1339 NE ARG A 93 83.377 -1.335 -3.799 1.00 0.00 N ATOM 1340 CZ ARG A 93 82.711 -0.519 -4.602 1.00 0.00 C ATOM 1341 NH1 ARG A 93 83.297 -0.030 -5.661 1.00 0.00 N ATOM 1342 NH2 ARG A 93 81.474 -0.212 -4.334 1.00 0.00 N1+ ATOM 0 H ARG A 93 84.330 0.164 0.554 1.00 0.00 H new ATOM 0 HA ARG A 93 84.378 -1.265 -1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 93 84.186 0.618 -2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 93 85.828 1.147 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 93 85.734 0.182 -4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 93 86.700 -0.871 -3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 93 84.872 -1.949 -5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 93 85.044 -2.554 -3.487 1.00 0.00 H new ATOM 0 HE ARG A 93 82.913 -1.725 -2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 93 84.265 -0.277 -5.868 1.00 0.00 H new ATOM 0 HH12 ARG A 93 82.787 0.599 -6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 93 81.020 -0.600 -3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 93 80.959 0.416 -4.951 1.00 0.00 H new ATOM 1356 N LYS A 94 87.373 -1.212 -0.173 1.00 0.00 N ATOM 1357 CA LYS A 94 88.575 -2.030 0.000 1.00 0.00 C ATOM 1358 C LYS A 94 88.439 -2.867 1.266 1.00 0.00 C ATOM 1359 O LYS A 94 87.951 -2.390 2.293 1.00 0.00 O ATOM 1360 CB LYS A 94 89.825 -1.123 0.060 1.00 0.00 C ATOM 1361 CG LYS A 94 89.975 -0.493 1.458 1.00 0.00 C ATOM 1362 CD LYS A 94 90.836 0.793 1.415 1.00 0.00 C ATOM 1363 CE LYS A 94 92.329 0.463 1.524 1.00 0.00 C ATOM 1364 NZ LYS A 94 93.085 1.725 1.766 1.00 0.00 N1+ ATOM 0 H LYS A 94 87.286 -0.440 0.488 1.00 0.00 H new ATOM 0 HA LYS A 94 88.690 -2.704 -0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 94 90.715 -1.706 -0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 94 89.747 -0.338 -0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 94 88.989 -0.258 1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 94 90.431 -1.215 2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 94 90.646 1.330 0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 94 90.547 1.455 2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 94 92.501 -0.242 2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 94 92.677 -0.016 0.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 94.100 1.512 1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 92.927 2.382 0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 92.756 2.163 2.650 1.00 0.00 H new ATOM 1378 N TRP A 95 88.866 -4.124 1.177 1.00 0.00 N ATOM 1379 CA TRP A 95 88.797 -5.053 2.299 1.00 0.00 C ATOM 1380 C TRP A 95 90.177 -5.174 2.931 1.00 0.00 C ATOM 1381 O TRP A 95 91.191 -5.077 2.238 1.00 0.00 O ATOM 1382 CB TRP A 95 88.345 -6.423 1.796 1.00 0.00 C ATOM 1383 CG TRP A 95 87.235 -6.266 0.802 1.00 0.00 C ATOM 1384 CD1 TRP A 95 87.379 -5.759 -0.445 1.00 0.00 C ATOM 1385 CD2 TRP A 95 85.828 -6.625 0.938 1.00 0.00 C ATOM 1386 NE1 TRP A 95 86.152 -5.783 -1.082 1.00 0.00 N ATOM 1387 CE2 TRP A 95 85.166 -6.308 -0.272 1.00 0.00 C ATOM 1388 CE3 TRP A 95 85.067 -7.189 1.979 1.00 0.00 C ATOM 1389 CZ2 TRP A 95 83.803 -6.542 -0.443 1.00 0.00 C ATOM 1390 CZ3 TRP A 95 83.694 -7.426 1.810 1.00 0.00 C ATOM 1391 CH2 TRP A 95 83.064 -7.104 0.600 1.00 0.00 C ATOM 0 H TRP A 95 89.267 -4.525 0.329 1.00 0.00 H new ATOM 0 HA TRP A 95 88.085 -4.686 3.039 1.00 0.00 H new ATOM 0 HB2 TRP A 95 89.184 -6.945 1.336 1.00 0.00 H new ATOM 0 HB3 TRP A 95 88.010 -7.034 2.634 1.00 0.00 H new ATOM 0 HD1 TRP A 95 88.302 -5.395 -0.872 1.00 0.00 H new ATOM 0 HE1 TRP A 95 85.995 -5.453 -2.034 1.00 0.00 H new ATOM 0 HE3 TRP A 95 85.543 -7.441 2.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 83.321 -6.290 -1.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 83.120 -7.859 2.616 1.00 0.00 H new ATOM 0 HH2 TRP A 95 82.008 -7.290 0.474 1.00 0.00 H new ATOM 1402 N ASN A 96 90.218 -5.422 4.238 1.00 0.00 N ATOM 1403 CA ASN A 96 91.492 -5.590 4.937 1.00 0.00 C ATOM 1404 C ASN A 96 91.670 -7.050 5.336 1.00 0.00 C ATOM 1405 O ASN A 96 91.146 -7.495 6.357 1.00 0.00 O ATOM 1406 CB ASN A 96 91.530 -4.689 6.180 1.00 0.00 C ATOM 1407 CG ASN A 96 90.810 -3.379 5.885 1.00 0.00 C ATOM 1408 OD1 ASN A 96 91.185 -2.657 4.960 1.00 0.00 O ATOM 1409 ND2 ASN A 96 89.789 -3.029 6.616 1.00 0.00 N ATOM 0 H ASN A 96 89.393 -5.511 4.831 1.00 0.00 H new ATOM 0 HA ASN A 96 92.308 -5.303 4.273 1.00 0.00 H new ATOM 0 HB2 ASN A 96 91.057 -5.194 7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 96 92.563 -4.491 6.467 1.00 0.00 H new ATOM 0 HD21 ASN A 96 89.299 -2.156 6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 96 89.480 -3.628 7.381 1.00 0.00 H new ATOM 1416 N CYS A 97 92.399 -7.790 4.510 1.00 0.00 N ATOM 1417 CA CYS A 97 92.640 -9.207 4.761 1.00 0.00 C ATOM 1418 C CYS A 97 93.990 -9.614 4.177 1.00 0.00 C ATOM 1419 O CYS A 97 94.283 -9.319 3.018 1.00 0.00 O ATOM 1420 CB CYS A 97 91.520 -10.039 4.126 1.00 0.00 C ATOM 1421 SG CYS A 97 89.939 -9.609 4.903 1.00 0.00 S ATOM 0 H CYS A 97 92.834 -7.433 3.660 1.00 0.00 H new ATOM 0 HA CYS A 97 92.652 -9.386 5.836 1.00 0.00 H new ATOM 0 HB2 CYS A 97 91.474 -9.850 3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 97 91.724 -11.102 4.254 1.00 0.00 H new ATOM 1426 N THR A 98 94.791 -10.352 4.954 1.00 0.00 N ATOM 1427 CA THR A 98 96.069 -10.853 4.435 1.00 0.00 C ATOM 1428 C THR A 98 96.226 -12.336 4.711 1.00 0.00 C ATOM 1429 O THR A 98 96.194 -13.150 3.790 1.00 0.00 O ATOM 1430 CB THR A 98 97.257 -10.059 5.054 1.00 0.00 C ATOM 1431 OG1 THR A 98 98.346 -10.944 5.281 1.00 0.00 O ATOM 1432 CG2 THR A 98 96.878 -9.396 6.399 1.00 0.00 C ATOM 0 H THR A 98 94.585 -10.611 5.919 1.00 0.00 H new ATOM 0 HA THR A 98 96.074 -10.707 3.355 1.00 0.00 H new ATOM 0 HB THR A 98 97.527 -9.273 4.349 1.00 0.00 H new ATOM 0 HG1 THR A 98 99.096 -10.447 5.669 1.00 0.00 H new ATOM 0 HG21 THR A 98 97.738 -8.854 6.792 1.00 0.00 H new ATOM 0 HG22 THR A 98 96.052 -8.702 6.243 1.00 0.00 H new ATOM 0 HG23 THR A 98 96.577 -10.164 7.111 1.00 0.00 H new ATOM 1440 N ASP A 99 96.402 -12.690 5.965 1.00 0.00 N ATOM 1441 CA ASP A 99 96.589 -14.077 6.372 1.00 0.00 C ATOM 1442 C ASP A 99 96.624 -14.123 7.899 1.00 0.00 C ATOM 1443 O ASP A 99 97.682 -13.961 8.512 1.00 0.00 O ATOM 1444 CB ASP A 99 97.915 -14.626 5.765 1.00 0.00 C ATOM 1445 CG ASP A 99 97.676 -15.799 4.802 1.00 0.00 C ATOM 1446 OD1 ASP A 99 96.555 -15.974 4.356 1.00 0.00 O ATOM 1447 OD2 ASP A 99 98.635 -16.503 4.521 1.00 0.00 O1- ATOM 0 H ASP A 99 96.421 -12.026 6.739 1.00 0.00 H new ATOM 0 HA ASP A 99 95.772 -14.701 6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 99 98.429 -13.824 5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 99 98.574 -14.949 6.571 1.00 0.00 H new ATOM 1452 N HIS A 100 95.462 -14.323 8.506 1.00 0.00 N ATOM 1453 CA HIS A 100 95.375 -14.362 9.960 1.00 0.00 C ATOM 1454 C HIS A 100 95.875 -15.704 10.474 1.00 0.00 C ATOM 1455 O HIS A 100 95.392 -16.759 10.061 1.00 0.00 O ATOM 1456 CB HIS A 100 93.923 -14.144 10.398 1.00 0.00 C ATOM 1457 CG HIS A 100 93.863 -13.792 11.864 1.00 0.00 C ATOM 1458 ND1 HIS A 100 94.814 -13.791 12.859 1.00 0.00 N flip ATOM 1459 CD2 HIS A 100 92.686 -13.385 12.474 1.00 0.00 C flip ATOM 1460 CE1 HIS A 100 94.236 -13.396 14.061 1.00 0.00 C flip ATOM 1461 NE2 HIS A 100 92.955 -13.162 13.773 1.00 0.00 N flip ATOM 0 H HIS A 100 94.575 -14.459 8.021 1.00 0.00 H new ATOM 0 HA HIS A 100 95.997 -13.569 10.376 1.00 0.00 H new ATOM 0 HB2 HIS A 100 93.474 -13.346 9.807 1.00 0.00 H new ATOM 0 HB3 HIS A 100 93.340 -15.046 10.210 1.00 0.00 H new ATOM 0 HD2 HIS A 100 91.726 -13.268 11.993 1.00 0.00 H new ATOM 0 HE1 HIS A 100 94.721 -13.300 15.021 1.00 0.00 H new ATOM 0 HE2 HIS A 100 92.263 -12.852 14.455 1.00 0.00 H new ATOM 1469 N VAL A 101 96.862 -15.654 11.359 1.00 0.00 N ATOM 1470 CA VAL A 101 97.443 -16.866 11.913 1.00 0.00 C ATOM 1471 C VAL A 101 96.562 -17.409 13.036 1.00 0.00 C ATOM 1472 O VAL A 101 96.771 -17.097 14.209 1.00 0.00 O ATOM 1473 CB VAL A 101 98.847 -16.575 12.476 1.00 0.00 C ATOM 1474 CG1 VAL A 101 99.602 -17.901 12.695 1.00 0.00 C ATOM 1475 CG2 VAL A 101 99.650 -15.682 11.508 1.00 0.00 C ATOM 0 H VAL A 101 97.275 -14.789 11.707 1.00 0.00 H new ATOM 0 HA VAL A 101 97.515 -17.605 11.115 1.00 0.00 H new ATOM 0 HB VAL A 101 98.737 -16.051 13.425 1.00 0.00 H new ATOM 0 HG11 VAL A 101 100.595 -17.693 13.093 1.00 0.00 H new ATOM 0 HG12 VAL A 101 99.050 -18.521 13.401 1.00 0.00 H new ATOM 0 HG13 VAL A 101 99.695 -18.428 11.745 1.00 0.00 H new ATOM 0 HG21 VAL A 101 100.638 -15.489 11.926 1.00 0.00 H new ATOM 0 HG22 VAL A 101 99.754 -16.188 10.548 1.00 0.00 H new ATOM 0 HG23 VAL A 101 99.126 -14.737 11.365 1.00 0.00 H new ATOM 1485 N CYS A 102 95.570 -18.211 12.667 1.00 0.00 N ATOM 1486 CA CYS A 102 94.659 -18.787 13.651 1.00 0.00 C ATOM 1487 C CYS A 102 95.382 -19.829 14.502 1.00 0.00 C ATOM 1488 O CYS A 102 94.813 -20.383 15.445 1.00 0.00 O ATOM 1489 CB CYS A 102 93.446 -19.425 12.941 1.00 0.00 C ATOM 1490 SG CYS A 102 93.270 -18.703 11.290 1.00 0.00 S ATOM 0 H CYS A 102 95.376 -18.476 11.701 1.00 0.00 H new ATOM 0 HA CYS A 102 94.305 -17.991 14.306 1.00 0.00 H new ATOM 0 HB2 CYS A 102 93.580 -20.504 12.866 1.00 0.00 H new ATOM 0 HB3 CYS A 102 92.540 -19.256 13.523 1.00 0.00 H new ATOM 1495 N ASP A 103 96.635 -20.101 14.154 1.00 0.00 N ATOM 1496 CA ASP A 103 97.424 -21.092 14.873 1.00 0.00 C ATOM 1497 C ASP A 103 97.809 -20.570 16.258 1.00 0.00 C ATOM 1498 O ASP A 103 98.385 -21.331 17.016 1.00 0.00 O ATOM 1499 CB ASP A 103 98.684 -21.419 14.050 1.00 0.00 C ATOM 1500 CG ASP A 103 99.128 -22.861 14.284 1.00 0.00 C ATOM 1501 OD1 ASP A 103 98.969 -23.338 15.394 1.00 0.00 O1- ATOM 1502 OD2 ASP A 103 99.619 -23.466 13.344 1.00 0.00 O ATOM 1503 OXT ASP A 103 97.520 -19.418 16.536 1.00 0.00 O ATOM 0 H ASP A 103 97.124 -19.650 13.381 1.00 0.00 H new ATOM 0 HA ASP A 103 96.833 -21.998 15.010 1.00 0.00 H new ATOM 0 HB2 ASP A 103 98.482 -21.264 12.990 1.00 0.00 H new ATOM 0 HB3 ASP A 103 99.489 -20.737 14.324 1.00 0.00 H new TER 1508 ASP A 103