USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=19 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 12 LYS NZ :NH3+ -117:sc= -4.82! (180deg=-5.42!) USER MOD Set 1.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 THR OG1 : rot -150:sc= -2.51 USER MOD Set 2.2: A 32 GLN : amide:sc= -2.63 K(o=-5.1,f=-4.6) USER MOD Single : A 1 GLY N :NH3+ -166:sc= -0.0892 (180deg=-0.348) USER MOD Single : A 3 MET CE :methyl -136:sc= -0.181 (180deg=-1.11) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -163:sc= -3.27 (180deg=-3.82!) USER MOD Single : A 19 ASN : amide:sc= -8.91! C(o=-8.9!,f=-4.7!) USER MOD Single : A 28 THR OG1 : rot -125:sc= -1.71 USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= -0.333 (180deg=-3.33!) USER MOD Single : A 33 ASN : amide:sc= -12! C(o=-12!,f=-5.1!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -126:sc= -0.18 (180deg=-1.23) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -112:sc= -1.12 (180deg=-2.86!) USER MOD Single : A 53 MET CE :methyl 170:sc= -0.53 (180deg=-0.628) USER MOD Single : A 56 HIS : no HD1:sc= -2.86 X(o=-2.9,f=-2.8!) USER MOD Single : A 58 ASN : amide:sc= -2.2! C(o=-2.2!,f=-3.3!) USER MOD Single : A 70 HIS : no HE2:sc= -3.87! C(o=-3.9!,f=-5!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 24:sc= -0.323 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 : amide:sc= -1.49 K(o=-1.5,f=-4!) USER MOD Single : A 87 THR OG1 : rot -16:sc= 1.15 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -2.74! K(o=-2.7!,f=0.61) USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.000976 USER MOD Single : A 100 HIS : no HD1:sc= -9.28! C(o=-9.3!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 53.352 2.190 -8.229 1.00 0.00 N ATOM 2 CA GLY A 1 54.579 2.861 -8.742 1.00 0.00 C ATOM 3 C GLY A 1 55.117 3.822 -7.689 1.00 0.00 C ATOM 4 O GLY A 1 56.312 4.112 -7.652 1.00 0.00 O ATOM 0 H1 GLY A 1 53.123 1.376 -8.834 1.00 0.00 H new ATOM 0 H2 GLY A 1 53.516 1.863 -7.256 1.00 0.00 H new ATOM 0 H3 GLY A 1 52.559 2.862 -8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 1 55.336 2.117 -8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 1 54.352 3.402 -9.660 1.00 0.00 H new ATOM 10 N ALA A 2 54.225 4.314 -6.835 1.00 0.00 N ATOM 11 CA ALA A 2 54.624 5.244 -5.785 1.00 0.00 C ATOM 12 C ALA A 2 55.586 4.573 -4.811 1.00 0.00 C ATOM 13 O ALA A 2 56.543 5.190 -4.344 1.00 0.00 O ATOM 14 CB ALA A 2 53.388 5.738 -5.028 1.00 0.00 C ATOM 0 H ALA A 2 53.231 4.087 -6.849 1.00 0.00 H new ATOM 0 HA ALA A 2 55.129 6.092 -6.249 1.00 0.00 H new ATOM 0 HB1 ALA A 2 53.694 6.432 -4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 2 52.716 6.245 -5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 2 52.873 4.889 -4.579 1.00 0.00 H new ATOM 20 N MET A 3 55.324 3.306 -4.506 1.00 0.00 N ATOM 21 CA MET A 3 56.176 2.563 -3.584 1.00 0.00 C ATOM 22 C MET A 3 57.571 2.378 -4.174 1.00 0.00 C ATOM 23 O MET A 3 58.575 2.531 -3.476 1.00 0.00 O ATOM 24 CB MET A 3 55.557 1.192 -3.295 1.00 0.00 C ATOM 25 CG MET A 3 54.194 1.366 -2.616 1.00 0.00 C ATOM 26 SD MET A 3 54.400 2.175 -1.008 1.00 0.00 S ATOM 27 CE MET A 3 55.280 0.835 -0.165 1.00 0.00 C ATOM 0 H MET A 3 54.536 2.776 -4.880 1.00 0.00 H new ATOM 0 HA MET A 3 56.259 3.130 -2.656 1.00 0.00 H new ATOM 0 HB2 MET A 3 55.441 0.633 -4.223 1.00 0.00 H new ATOM 0 HB3 MET A 3 56.221 0.612 -2.654 1.00 0.00 H new ATOM 0 HG2 MET A 3 53.536 1.961 -3.250 1.00 0.00 H new ATOM 0 HG3 MET A 3 53.717 0.395 -2.485 1.00 0.00 H new ATOM 0 HE1 MET A 3 54.869 0.703 0.836 1.00 0.00 H new ATOM 0 HE2 MET A 3 55.163 -0.089 -0.731 1.00 0.00 H new ATOM 0 HE3 MET A 3 56.339 1.084 -0.092 1.00 0.00 H new ATOM 37 N GLY A 4 57.626 2.052 -5.461 1.00 0.00 N ATOM 38 CA GLY A 4 58.905 1.852 -6.133 1.00 0.00 C ATOM 39 C GLY A 4 59.594 0.586 -5.636 1.00 0.00 C ATOM 40 O GLY A 4 59.013 -0.195 -4.883 1.00 0.00 O ATOM 0 H GLY A 4 56.808 1.922 -6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 4 58.747 1.785 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 4 59.550 2.713 -5.958 1.00 0.00 H new ATOM 44 N SER A 5 60.840 0.393 -6.058 1.00 0.00 N ATOM 45 CA SER A 5 61.603 -0.779 -5.646 1.00 0.00 C ATOM 46 C SER A 5 61.772 -0.798 -4.132 1.00 0.00 C ATOM 47 O SER A 5 61.634 -1.841 -3.493 1.00 0.00 O ATOM 48 CB SER A 5 62.977 -0.770 -6.316 1.00 0.00 C ATOM 49 OG SER A 5 63.827 -1.701 -5.660 1.00 0.00 O ATOM 0 H SER A 5 61.339 1.028 -6.680 1.00 0.00 H new ATOM 0 HA SER A 5 61.058 -1.672 -5.952 1.00 0.00 H new ATOM 0 HB2 SER A 5 62.881 -1.028 -7.371 1.00 0.00 H new ATOM 0 HB3 SER A 5 63.410 0.229 -6.270 1.00 0.00 H new ATOM 0 HG SER A 5 64.708 -1.698 -6.089 1.00 0.00 H new ATOM 55 N CYS A 6 62.074 0.364 -3.564 1.00 0.00 N ATOM 56 CA CYS A 6 62.261 0.468 -2.125 1.00 0.00 C ATOM 57 C CYS A 6 60.966 0.147 -1.389 1.00 0.00 C ATOM 58 O CYS A 6 59.937 0.784 -1.613 1.00 0.00 O ATOM 59 CB CYS A 6 62.708 1.882 -1.759 1.00 0.00 C ATOM 60 SG CYS A 6 61.355 3.039 -2.093 1.00 0.00 S ATOM 0 H CYS A 6 62.193 1.239 -4.074 1.00 0.00 H new ATOM 0 HA CYS A 6 63.026 -0.250 -1.828 1.00 0.00 H new ATOM 0 HB2 CYS A 6 62.989 1.927 -0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 6 63.590 2.159 -2.337 1.00 0.00 H new ATOM 65 N ARG A 7 61.027 -0.835 -0.498 1.00 0.00 N ATOM 66 CA ARG A 7 59.859 -1.224 0.283 1.00 0.00 C ATOM 67 C ARG A 7 59.714 -0.293 1.489 1.00 0.00 C ATOM 68 O ARG A 7 58.745 0.459 1.575 1.00 0.00 O ATOM 69 CB ARG A 7 59.998 -2.695 0.743 1.00 0.00 C ATOM 70 CG ARG A 7 59.189 -3.626 -0.166 1.00 0.00 C ATOM 71 CD ARG A 7 59.690 -5.062 0.014 1.00 0.00 C ATOM 72 NE ARG A 7 60.074 -5.286 1.406 1.00 0.00 N ATOM 73 CZ ARG A 7 60.958 -6.224 1.735 1.00 0.00 C ATOM 74 NH1 ARG A 7 61.509 -6.951 0.803 1.00 0.00 N ATOM 75 NH2 ARG A 7 61.279 -6.413 2.986 1.00 0.00 N1+ ATOM 0 H ARG A 7 61.869 -1.375 -0.299 1.00 0.00 H new ATOM 0 HA ARG A 7 58.965 -1.139 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 7 61.048 -2.988 0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 7 59.653 -2.793 1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 7 58.129 -3.564 0.080 1.00 0.00 H new ATOM 0 HG3 ARG A 7 59.293 -3.319 -1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 7 58.910 -5.767 -0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 7 60.542 -5.243 -0.641 1.00 0.00 H new ATOM 0 HE ARG A 7 59.656 -4.713 2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 7 61.262 -6.800 -0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 7 62.187 -7.671 1.052 1.00 0.00 H new ATOM 0 HH21 ARG A 7 60.852 -5.841 3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 7 61.957 -7.133 3.235 1.00 0.00 H new ATOM 89 N PRO A 8 60.649 -0.322 2.415 1.00 0.00 N ATOM 90 CA PRO A 8 60.597 0.549 3.630 1.00 0.00 C ATOM 91 C PRO A 8 60.605 2.042 3.251 1.00 0.00 C ATOM 92 O PRO A 8 61.619 2.541 2.767 1.00 0.00 O ATOM 93 CB PRO A 8 61.870 0.153 4.412 1.00 0.00 C ATOM 94 CG PRO A 8 62.776 -0.472 3.401 1.00 0.00 C ATOM 95 CD PRO A 8 61.859 -1.168 2.409 1.00 0.00 C ATOM 0 HA PRO A 8 59.686 0.411 4.213 1.00 0.00 H new ATOM 0 HB2 PRO A 8 62.336 1.024 4.872 1.00 0.00 H new ATOM 0 HB3 PRO A 8 61.637 -0.545 5.216 1.00 0.00 H new ATOM 0 HG2 PRO A 8 63.390 0.280 2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 8 63.457 -1.182 3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 8 62.307 -1.223 1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 8 61.637 -2.190 2.715 1.00 0.00 H new ATOM 103 N PRO A 9 59.516 2.761 3.431 1.00 0.00 N ATOM 104 CA PRO A 9 59.459 4.203 3.067 1.00 0.00 C ATOM 105 C PRO A 9 59.970 5.122 4.171 1.00 0.00 C ATOM 106 O PRO A 9 59.357 5.217 5.234 1.00 0.00 O ATOM 107 CB PRO A 9 57.964 4.432 2.816 1.00 0.00 C ATOM 108 CG PRO A 9 57.257 3.463 3.722 1.00 0.00 C ATOM 109 CD PRO A 9 58.229 2.302 3.991 1.00 0.00 C ATOM 0 HA PRO A 9 60.097 4.433 2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 9 57.680 5.460 3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 9 57.708 4.252 1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 9 56.969 3.948 4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 9 56.341 3.098 3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 9 58.312 2.093 5.057 1.00 0.00 H new ATOM 0 HD3 PRO A 9 57.892 1.383 3.511 1.00 0.00 H new ATOM 117 N MET A 10 61.094 5.813 3.921 1.00 0.00 N ATOM 118 CA MET A 10 61.669 6.729 4.901 1.00 0.00 C ATOM 119 C MET A 10 61.735 8.136 4.319 1.00 0.00 C ATOM 120 O MET A 10 61.158 9.067 4.877 1.00 0.00 O ATOM 121 CB MET A 10 63.079 6.270 5.284 1.00 0.00 C ATOM 122 CG MET A 10 62.984 5.012 6.148 1.00 0.00 C ATOM 123 SD MET A 10 62.341 3.652 5.147 1.00 0.00 S ATOM 124 CE MET A 10 63.932 3.061 4.512 1.00 0.00 C ATOM 0 H MET A 10 61.617 5.750 3.048 1.00 0.00 H new ATOM 0 HA MET A 10 61.038 6.734 5.790 1.00 0.00 H new ATOM 0 HB2 MET A 10 63.663 6.066 4.387 1.00 0.00 H new ATOM 0 HB3 MET A 10 63.596 7.061 5.828 1.00 0.00 H new ATOM 0 HG2 MET A 10 63.966 4.754 6.546 1.00 0.00 H new ATOM 0 HG3 MET A 10 62.331 5.191 7.002 1.00 0.00 H new ATOM 0 HE1 MET A 10 63.763 2.423 3.645 1.00 0.00 H new ATOM 0 HE2 MET A 10 64.547 3.913 4.222 1.00 0.00 H new ATOM 0 HE3 MET A 10 64.444 2.491 5.287 1.00 0.00 H new ATOM 134 N VAL A 11 62.440 8.291 3.186 1.00 0.00 N ATOM 135 CA VAL A 11 62.564 9.601 2.538 1.00 0.00 C ATOM 136 C VAL A 11 62.038 9.516 1.119 1.00 0.00 C ATOM 137 O VAL A 11 62.529 8.725 0.328 1.00 0.00 O ATOM 138 CB VAL A 11 64.032 10.033 2.518 1.00 0.00 C ATOM 139 CG1 VAL A 11 64.124 11.553 2.356 1.00 0.00 C ATOM 140 CG2 VAL A 11 64.690 9.616 3.830 1.00 0.00 C ATOM 0 H VAL A 11 62.926 7.533 2.707 1.00 0.00 H new ATOM 0 HA VAL A 11 61.983 10.335 3.097 1.00 0.00 H new ATOM 0 HB VAL A 11 64.542 9.556 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 11 65.171 11.855 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 11 63.649 11.849 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 11 63.617 12.039 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 11 65.737 9.920 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 11 64.177 10.096 4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 11 64.627 8.533 3.941 1.00 0.00 H new ATOM 150 N LYS A 12 61.054 10.349 0.802 1.00 0.00 N ATOM 151 CA LYS A 12 60.462 10.365 -0.534 1.00 0.00 C ATOM 152 C LYS A 12 61.197 11.341 -1.446 1.00 0.00 C ATOM 153 O LYS A 12 61.337 12.521 -1.131 1.00 0.00 O ATOM 154 CB LYS A 12 58.992 10.765 -0.439 1.00 0.00 C ATOM 155 CG LYS A 12 58.317 10.566 -1.795 1.00 0.00 C ATOM 156 CD LYS A 12 56.818 10.835 -1.658 1.00 0.00 C ATOM 157 CE LYS A 12 56.125 10.588 -2.999 1.00 0.00 C ATOM 158 NZ LYS A 12 56.545 11.631 -3.975 1.00 0.00 N1+ ATOM 0 H LYS A 12 60.648 11.023 1.451 1.00 0.00 H new ATOM 0 HA LYS A 12 60.547 9.365 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 12 58.490 10.165 0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 12 58.908 11.807 -0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 12 58.753 11.239 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 12 58.485 9.550 -2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 12 56.391 10.187 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 12 56.651 11.863 -1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 12 56.381 9.598 -3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 12 55.043 10.610 -2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 55.717 12.192 -4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 57.251 12.255 -3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 56.961 11.176 -4.812 1.00 0.00 H new ATOM 172 N LEU A 13 61.655 10.830 -2.586 1.00 0.00 N ATOM 173 CA LEU A 13 62.371 11.644 -3.567 1.00 0.00 C ATOM 174 C LEU A 13 61.668 11.560 -4.908 1.00 0.00 C ATOM 175 O LEU A 13 61.471 10.472 -5.447 1.00 0.00 O ATOM 176 CB LEU A 13 63.828 11.150 -3.687 1.00 0.00 C ATOM 177 CG LEU A 13 63.890 9.763 -4.381 1.00 0.00 C ATOM 178 CD1 LEU A 13 64.167 9.910 -5.896 1.00 0.00 C ATOM 179 CD2 LEU A 13 65.000 8.924 -3.745 1.00 0.00 C ATOM 0 H LEU A 13 61.543 9.852 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 13 62.381 12.684 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 13 64.415 11.872 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 13 64.276 11.085 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 13 62.926 9.272 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 13 64.205 8.923 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 13 63.371 10.495 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 13 65.121 10.416 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 13 65.044 7.950 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 13 65.956 9.434 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 13 64.792 8.790 -2.683 1.00 0.00 H new ATOM 191 N VAL A 14 61.265 12.715 -5.448 1.00 0.00 N ATOM 192 CA VAL A 14 60.559 12.750 -6.731 1.00 0.00 C ATOM 193 C VAL A 14 61.437 13.382 -7.798 1.00 0.00 C ATOM 194 O VAL A 14 62.401 14.080 -7.486 1.00 0.00 O ATOM 195 CB VAL A 14 59.257 13.527 -6.583 1.00 0.00 C ATOM 196 CG1 VAL A 14 58.365 12.834 -5.555 1.00 0.00 C ATOM 197 CG2 VAL A 14 59.584 14.945 -6.102 1.00 0.00 C ATOM 0 H VAL A 14 61.414 13.629 -5.021 1.00 0.00 H new ATOM 0 HA VAL A 14 60.327 11.730 -7.037 1.00 0.00 H new ATOM 0 HB VAL A 14 58.737 13.568 -7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 14 57.433 13.389 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 14 58.147 11.819 -5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 14 58.878 12.798 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 14 58.661 15.514 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 14 60.096 14.894 -5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 14 60.228 15.437 -6.831 1.00 0.00 H new ATOM 207 N CYS A 15 61.099 13.118 -9.048 1.00 0.00 N ATOM 208 CA CYS A 15 61.873 13.656 -10.159 1.00 0.00 C ATOM 209 C CYS A 15 61.611 15.159 -10.322 1.00 0.00 C ATOM 210 O CYS A 15 60.491 15.551 -10.652 1.00 0.00 O ATOM 211 CB CYS A 15 61.505 12.938 -11.455 1.00 0.00 C ATOM 212 SG CYS A 15 62.781 13.277 -12.693 1.00 0.00 S ATOM 0 H CYS A 15 60.303 12.541 -9.320 1.00 0.00 H new ATOM 0 HA CYS A 15 62.930 13.499 -9.943 1.00 0.00 H new ATOM 0 HB2 CYS A 15 61.423 11.865 -11.282 1.00 0.00 H new ATOM 0 HB3 CYS A 15 60.533 13.278 -11.812 1.00 0.00 H new ATOM 217 N PRO A 16 62.594 16.017 -10.112 1.00 0.00 N ATOM 218 CA PRO A 16 62.405 17.493 -10.260 1.00 0.00 C ATOM 219 C PRO A 16 61.696 17.868 -11.565 1.00 0.00 C ATOM 220 O PRO A 16 61.351 17.002 -12.368 1.00 0.00 O ATOM 221 CB PRO A 16 63.828 18.047 -10.245 1.00 0.00 C ATOM 222 CG PRO A 16 64.628 17.056 -9.469 1.00 0.00 C ATOM 223 CD PRO A 16 63.991 15.698 -9.711 1.00 0.00 C ATOM 0 HA PRO A 16 61.772 17.896 -9.470 1.00 0.00 H new ATOM 0 HB2 PRO A 16 64.217 18.160 -11.257 1.00 0.00 H new ATOM 0 HB3 PRO A 16 63.862 19.032 -9.779 1.00 0.00 H new ATOM 0 HG2 PRO A 16 65.669 17.059 -9.793 1.00 0.00 H new ATOM 0 HG3 PRO A 16 64.625 17.302 -8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 16 64.514 15.146 -10.492 1.00 0.00 H new ATOM 0 HD3 PRO A 16 64.017 15.080 -8.813 1.00 0.00 H new ATOM 231 N ALA A 17 61.494 19.170 -11.764 1.00 0.00 N ATOM 232 CA ALA A 17 60.838 19.660 -12.968 1.00 0.00 C ATOM 233 C ALA A 17 61.675 19.347 -14.198 1.00 0.00 C ATOM 234 O ALA A 17 61.143 18.959 -15.238 1.00 0.00 O ATOM 235 CB ALA A 17 60.614 21.173 -12.873 1.00 0.00 C ATOM 0 H ALA A 17 61.775 19.899 -11.108 1.00 0.00 H new ATOM 0 HA ALA A 17 59.874 19.159 -13.058 1.00 0.00 H new ATOM 0 HB1 ALA A 17 60.123 21.526 -13.780 1.00 0.00 H new ATOM 0 HB2 ALA A 17 59.986 21.394 -12.010 1.00 0.00 H new ATOM 0 HB3 ALA A 17 61.574 21.677 -12.761 1.00 0.00 H new ATOM 241 N ASP A 18 62.994 19.512 -14.072 1.00 0.00 N ATOM 242 CA ASP A 18 63.910 19.240 -15.181 1.00 0.00 C ATOM 243 C ASP A 18 64.858 18.103 -14.821 1.00 0.00 C ATOM 244 O ASP A 18 65.929 17.963 -15.411 1.00 0.00 O ATOM 245 CB ASP A 18 64.714 20.497 -15.530 1.00 0.00 C ATOM 246 CG ASP A 18 63.824 21.505 -16.254 1.00 0.00 C ATOM 247 OD1 ASP A 18 62.748 21.119 -16.681 1.00 0.00 O ATOM 248 OD2 ASP A 18 64.235 22.648 -16.374 1.00 0.00 O1- ATOM 0 H ASP A 18 63.450 19.831 -13.217 1.00 0.00 H new ATOM 0 HA ASP A 18 63.320 18.946 -16.049 1.00 0.00 H new ATOM 0 HB2 ASP A 18 65.118 20.944 -14.621 1.00 0.00 H new ATOM 0 HB3 ASP A 18 65.563 20.232 -16.160 1.00 0.00 H new ATOM 253 N ASN A 19 64.451 17.289 -13.853 1.00 0.00 N ATOM 254 CA ASN A 19 65.262 16.157 -13.422 1.00 0.00 C ATOM 255 C ASN A 19 66.628 16.616 -12.932 1.00 0.00 C ATOM 256 O ASN A 19 67.660 16.196 -13.456 1.00 0.00 O ATOM 257 CB ASN A 19 65.440 15.171 -14.569 1.00 0.00 C ATOM 258 CG ASN A 19 64.075 14.796 -15.140 1.00 0.00 C ATOM 259 OD1 ASN A 19 63.993 14.065 -16.127 1.00 0.00 O ATOM 260 ND2 ASN A 19 62.994 15.263 -14.577 1.00 0.00 N ATOM 0 H ASN A 19 63.567 17.392 -13.354 1.00 0.00 H new ATOM 0 HA ASN A 19 64.743 15.668 -12.598 1.00 0.00 H new ATOM 0 HB2 ASN A 19 66.062 15.612 -15.348 1.00 0.00 H new ATOM 0 HB3 ASN A 19 65.956 14.278 -14.217 1.00 0.00 H new ATOM 0 HD21 ASN A 19 62.078 15.022 -14.955 1.00 0.00 H new ATOM 0 HD22 ASN A 19 63.066 15.868 -13.759 1.00 0.00 H new ATOM 267 N LEU A 20 66.627 17.500 -11.938 1.00 0.00 N ATOM 268 CA LEU A 20 67.869 18.024 -11.407 1.00 0.00 C ATOM 269 C LEU A 20 68.708 16.935 -10.751 1.00 0.00 C ATOM 270 O LEU A 20 69.926 16.896 -10.919 1.00 0.00 O ATOM 271 CB LEU A 20 67.614 19.182 -10.410 1.00 0.00 C ATOM 272 CG LEU A 20 67.418 20.517 -11.144 1.00 0.00 C ATOM 273 CD1 LEU A 20 68.706 20.921 -11.890 1.00 0.00 C ATOM 274 CD2 LEU A 20 66.244 20.399 -12.126 1.00 0.00 C ATOM 0 H LEU A 20 65.785 17.862 -11.491 1.00 0.00 H new ATOM 0 HA LEU A 20 68.432 18.418 -12.253 1.00 0.00 H new ATOM 0 HB2 LEU A 20 66.731 18.961 -9.811 1.00 0.00 H new ATOM 0 HB3 LEU A 20 68.455 19.263 -9.721 1.00 0.00 H new ATOM 0 HG LEU A 20 67.194 21.293 -10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.547 21.869 -12.404 1.00 0.00 H new ATOM 0 HD12 LEU A 20 69.522 21.028 -11.175 1.00 0.00 H new ATOM 0 HD13 LEU A 20 68.961 20.152 -12.619 1.00 0.00 H new ATOM 0 HD21 LEU A 20 66.107 21.348 -12.645 1.00 0.00 H new ATOM 0 HD22 LEU A 20 66.455 19.615 -12.853 1.00 0.00 H new ATOM 0 HD23 LEU A 20 65.335 20.151 -11.578 1.00 0.00 H new ATOM 286 N ARG A 21 68.062 16.060 -9.997 1.00 0.00 N ATOM 287 CA ARG A 21 68.765 14.981 -9.312 1.00 0.00 C ATOM 288 C ARG A 21 67.960 13.696 -9.399 1.00 0.00 C ATOM 289 O ARG A 21 67.607 13.103 -8.380 1.00 0.00 O ATOM 290 CB ARG A 21 68.985 15.362 -7.846 1.00 0.00 C ATOM 291 CG ARG A 21 70.015 14.421 -7.224 1.00 0.00 C ATOM 292 CD ARG A 21 70.288 14.847 -5.782 1.00 0.00 C ATOM 293 NE ARG A 21 69.100 14.632 -4.957 1.00 0.00 N ATOM 294 CZ ARG A 21 68.876 13.466 -4.360 1.00 0.00 C ATOM 295 NH1 ARG A 21 69.724 12.485 -4.505 1.00 0.00 N ATOM 296 NH2 ARG A 21 67.807 13.301 -3.632 1.00 0.00 N1+ ATOM 0 H ARG A 21 67.054 16.073 -9.842 1.00 0.00 H new ATOM 0 HA ARG A 21 69.731 14.822 -9.791 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.330 16.394 -7.775 1.00 0.00 H new ATOM 0 HB3 ARG A 21 68.044 15.302 -7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 21 69.648 13.395 -7.248 1.00 0.00 H new ATOM 0 HG3 ARG A 21 70.939 14.442 -7.802 1.00 0.00 H new ATOM 0 HD2 ARG A 21 71.126 14.278 -5.380 1.00 0.00 H new ATOM 0 HD3 ARG A 21 70.573 15.899 -5.754 1.00 0.00 H new ATOM 0 HE ARG A 21 68.430 15.392 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 21 70.559 12.613 -5.077 1.00 0.00 H new ATOM 0 HH12 ARG A 21 69.552 11.590 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 21 67.143 14.067 -3.521 1.00 0.00 H new ATOM 0 HH22 ARG A 21 67.635 12.406 -3.174 1.00 0.00 H new ATOM 310 N ALA A 22 67.666 13.275 -10.622 1.00 0.00 N ATOM 311 CA ALA A 22 66.893 12.059 -10.829 1.00 0.00 C ATOM 312 C ALA A 22 66.866 11.686 -12.308 1.00 0.00 C ATOM 313 O ALA A 22 66.057 12.206 -13.076 1.00 0.00 O ATOM 314 CB ALA A 22 65.465 12.258 -10.303 1.00 0.00 C ATOM 0 H ALA A 22 67.948 13.753 -11.478 1.00 0.00 H new ATOM 0 HA ALA A 22 67.365 11.244 -10.281 1.00 0.00 H new ATOM 0 HB1 ALA A 22 64.889 11.346 -10.460 1.00 0.00 H new ATOM 0 HB2 ALA A 22 65.498 12.488 -9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 22 64.992 13.082 -10.837 1.00 0.00 H new ATOM 320 N GLU A 23 67.761 10.782 -12.697 1.00 0.00 N ATOM 321 CA GLU A 23 67.841 10.346 -14.085 1.00 0.00 C ATOM 322 C GLU A 23 68.820 9.185 -14.236 1.00 0.00 C ATOM 323 O GLU A 23 69.539 8.844 -13.298 1.00 0.00 O ATOM 324 CB GLU A 23 68.288 11.515 -14.963 1.00 0.00 C ATOM 325 CG GLU A 23 69.710 11.941 -14.582 1.00 0.00 C ATOM 326 CD GLU A 23 70.096 13.200 -15.348 1.00 0.00 C ATOM 327 OE1 GLU A 23 69.272 14.096 -15.431 1.00 0.00 O ATOM 328 OE2 GLU A 23 71.211 13.250 -15.843 1.00 0.00 O1- ATOM 0 H GLU A 23 68.437 10.340 -12.074 1.00 0.00 H new ATOM 0 HA GLU A 23 66.854 10.006 -14.399 1.00 0.00 H new ATOM 0 HB2 GLU A 23 68.255 11.225 -16.013 1.00 0.00 H new ATOM 0 HB3 GLU A 23 67.603 12.354 -14.842 1.00 0.00 H new ATOM 0 HG2 GLU A 23 69.769 12.125 -13.509 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.412 11.138 -14.807 1.00 0.00 H new ATOM 335 N GLY A 24 68.845 8.590 -15.427 1.00 0.00 N ATOM 336 CA GLY A 24 69.746 7.475 -15.697 1.00 0.00 C ATOM 337 C GLY A 24 69.288 6.207 -14.982 1.00 0.00 C ATOM 338 O GLY A 24 69.939 5.743 -14.050 1.00 0.00 O ATOM 0 H GLY A 24 68.256 8.860 -16.214 1.00 0.00 H new ATOM 0 HA2 GLY A 24 69.792 7.293 -16.771 1.00 0.00 H new ATOM 0 HA3 GLY A 24 70.755 7.733 -15.374 1.00 0.00 H new ATOM 342 N LEU A 25 68.165 5.654 -15.429 1.00 0.00 N ATOM 343 CA LEU A 25 67.621 4.441 -14.828 1.00 0.00 C ATOM 344 C LEU A 25 67.438 4.634 -13.325 1.00 0.00 C ATOM 345 O LEU A 25 67.995 5.559 -12.738 1.00 0.00 O ATOM 346 CB LEU A 25 68.550 3.253 -15.084 1.00 0.00 C ATOM 347 CG LEU A 25 68.462 2.839 -16.555 1.00 0.00 C ATOM 348 CD1 LEU A 25 68.865 4.015 -17.458 1.00 0.00 C ATOM 349 CD2 LEU A 25 69.397 1.651 -16.800 1.00 0.00 C ATOM 0 H LEU A 25 67.615 6.025 -16.204 1.00 0.00 H new ATOM 0 HA LEU A 25 66.652 4.237 -15.284 1.00 0.00 H new ATOM 0 HB2 LEU A 25 69.576 3.520 -14.832 1.00 0.00 H new ATOM 0 HB3 LEU A 25 68.272 2.416 -14.443 1.00 0.00 H new ATOM 0 HG LEU A 25 67.437 2.552 -16.790 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.799 3.711 -18.503 1.00 0.00 H new ATOM 0 HD12 LEU A 25 68.194 4.856 -17.282 1.00 0.00 H new ATOM 0 HD13 LEU A 25 69.888 4.314 -17.231 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.338 1.352 -17.846 1.00 0.00 H new ATOM 0 HD22 LEU A 25 70.421 1.939 -16.562 1.00 0.00 H new ATOM 0 HD23 LEU A 25 69.098 0.816 -16.167 1.00 0.00 H new ATOM 361 N GLU A 26 66.646 3.762 -12.716 1.00 0.00 N ATOM 362 CA GLU A 26 66.376 3.843 -11.279 1.00 0.00 C ATOM 363 C GLU A 26 67.415 3.075 -10.465 1.00 0.00 C ATOM 364 O GLU A 26 67.937 2.052 -10.904 1.00 0.00 O ATOM 365 CB GLU A 26 64.987 3.285 -10.978 1.00 0.00 C ATOM 366 CG GLU A 26 64.839 1.878 -11.582 1.00 0.00 C ATOM 367 CD GLU A 26 64.530 1.970 -13.073 1.00 0.00 C ATOM 368 OE1 GLU A 26 63.763 2.841 -13.448 1.00 0.00 O ATOM 369 OE2 GLU A 26 65.067 1.167 -13.821 1.00 0.00 O1- ATOM 0 H GLU A 26 66.178 2.990 -13.190 1.00 0.00 H new ATOM 0 HA GLU A 26 66.427 4.894 -10.993 1.00 0.00 H new ATOM 0 HB2 GLU A 26 64.829 3.245 -9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 26 64.224 3.947 -11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 26 65.757 1.311 -11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 26 64.042 1.338 -11.071 1.00 0.00 H new ATOM 376 N CYS A 27 67.696 3.575 -9.262 1.00 0.00 N ATOM 377 CA CYS A 27 68.661 2.928 -8.382 1.00 0.00 C ATOM 378 C CYS A 27 68.445 3.376 -6.941 1.00 0.00 C ATOM 379 O CYS A 27 67.338 3.751 -6.549 1.00 0.00 O ATOM 380 CB CYS A 27 70.117 3.236 -8.839 1.00 0.00 C ATOM 381 SG CYS A 27 71.096 1.703 -8.824 1.00 0.00 S ATOM 0 H CYS A 27 67.271 4.420 -8.879 1.00 0.00 H new ATOM 0 HA CYS A 27 68.510 1.850 -8.437 1.00 0.00 H new ATOM 0 HB2 CYS A 27 70.112 3.667 -9.840 1.00 0.00 H new ATOM 0 HB3 CYS A 27 70.569 3.975 -8.177 1.00 0.00 H new ATOM 386 N THR A 28 69.512 3.319 -6.159 1.00 0.00 N ATOM 387 CA THR A 28 69.451 3.711 -4.762 1.00 0.00 C ATOM 388 C THR A 28 70.828 4.151 -4.272 1.00 0.00 C ATOM 389 O THR A 28 71.672 4.584 -5.059 1.00 0.00 O ATOM 390 CB THR A 28 68.947 2.544 -3.918 1.00 0.00 C ATOM 391 OG1 THR A 28 68.862 2.952 -2.562 1.00 0.00 O ATOM 392 CG2 THR A 28 69.912 1.366 -4.042 1.00 0.00 C ATOM 0 H THR A 28 70.431 3.004 -6.470 1.00 0.00 H new ATOM 0 HA THR A 28 68.762 4.549 -4.663 1.00 0.00 H new ATOM 0 HB THR A 28 67.962 2.237 -4.269 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.380 2.337 -2.002 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.550 0.534 -3.438 1.00 0.00 H new ATOM 0 HG22 THR A 28 69.976 1.057 -5.085 1.00 0.00 H new ATOM 0 HG23 THR A 28 70.899 1.666 -3.691 1.00 0.00 H new ATOM 400 N LYS A 29 71.051 4.029 -2.967 1.00 0.00 N ATOM 401 CA LYS A 29 72.322 4.404 -2.363 1.00 0.00 C ATOM 402 C LYS A 29 72.639 3.451 -1.223 1.00 0.00 C ATOM 403 O LYS A 29 72.133 3.595 -0.112 1.00 0.00 O ATOM 404 CB LYS A 29 72.271 5.838 -1.815 1.00 0.00 C ATOM 405 CG LYS A 29 73.661 6.306 -1.387 1.00 0.00 C ATOM 406 CD LYS A 29 73.512 7.457 -0.379 1.00 0.00 C ATOM 407 CE LYS A 29 72.968 6.931 0.981 1.00 0.00 C ATOM 408 NZ LYS A 29 71.527 7.287 1.099 1.00 0.00 N1+ ATOM 0 H LYS A 29 70.362 3.671 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 29 73.095 4.350 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 29 71.875 6.509 -2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 29 71.590 5.883 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 29 74.214 5.481 -0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.231 6.637 -2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.477 7.941 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 29 72.836 8.212 -0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 29 73.095 5.850 1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 29 73.532 7.367 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 71.336 7.649 2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 71.292 8.019 0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 70.945 6.442 0.926 1.00 0.00 H new ATOM 422 N THR A 30 73.490 2.489 -1.508 1.00 0.00 N ATOM 423 CA THR A 30 73.894 1.520 -0.488 1.00 0.00 C ATOM 424 C THR A 30 75.407 1.348 -0.470 1.00 0.00 C ATOM 425 O THR A 30 76.079 1.623 -1.456 1.00 0.00 O ATOM 426 CB THR A 30 73.198 0.182 -0.758 1.00 0.00 C ATOM 427 OG1 THR A 30 72.949 0.053 -2.150 1.00 0.00 O ATOM 428 CG2 THR A 30 71.881 0.124 -0.009 1.00 0.00 C ATOM 0 H THR A 30 73.917 2.350 -2.424 1.00 0.00 H new ATOM 0 HA THR A 30 73.594 1.889 0.493 1.00 0.00 H new ATOM 0 HB THR A 30 73.842 -0.630 -0.420 1.00 0.00 H new ATOM 0 HG1 THR A 30 72.145 -0.490 -2.290 1.00 0.00 H new ATOM 0 HG21 THR A 30 71.392 -0.830 -0.206 1.00 0.00 H new ATOM 0 HG22 THR A 30 72.066 0.223 1.061 1.00 0.00 H new ATOM 0 HG23 THR A 30 71.237 0.937 -0.342 1.00 0.00 H new ATOM 436 N CYS A 31 75.938 0.887 0.664 1.00 0.00 N ATOM 437 CA CYS A 31 77.373 0.682 0.794 1.00 0.00 C ATOM 438 C CYS A 31 77.890 -0.082 -0.423 1.00 0.00 C ATOM 439 O CYS A 31 79.096 -0.156 -0.651 1.00 0.00 O ATOM 440 CB CYS A 31 77.678 -0.090 2.088 1.00 0.00 C ATOM 441 SG CYS A 31 76.438 -1.382 2.334 1.00 0.00 S ATOM 0 H CYS A 31 75.397 0.652 1.496 1.00 0.00 H new ATOM 0 HA CYS A 31 77.876 1.648 0.844 1.00 0.00 H new ATOM 0 HB2 CYS A 31 78.672 -0.533 2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 31 77.680 0.592 2.938 1.00 0.00 H new ATOM 446 N GLN A 32 76.978 -0.652 -1.202 1.00 0.00 N ATOM 447 CA GLN A 32 77.372 -1.408 -2.387 1.00 0.00 C ATOM 448 C GLN A 32 77.556 -0.491 -3.596 1.00 0.00 C ATOM 449 O GLN A 32 78.487 -0.666 -4.385 1.00 0.00 O ATOM 450 CB GLN A 32 76.308 -2.463 -2.708 1.00 0.00 C ATOM 451 CG GLN A 32 74.917 -1.788 -2.829 1.00 0.00 C ATOM 452 CD GLN A 32 73.855 -2.603 -2.090 1.00 0.00 C ATOM 453 OE1 GLN A 32 72.796 -2.892 -2.645 1.00 0.00 O ATOM 454 NE2 GLN A 32 74.079 -2.989 -0.862 1.00 0.00 N ATOM 0 H GLN A 32 75.972 -0.607 -1.038 1.00 0.00 H new ATOM 0 HA GLN A 32 78.325 -1.893 -2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 32 76.557 -2.972 -3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 32 76.287 -3.221 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 32 74.960 -0.779 -2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 32 74.644 -1.693 -3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 32 74.958 -2.748 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 32 73.375 -3.531 -0.361 1.00 0.00 H new ATOM 463 N ASN A 33 76.650 0.483 -3.744 1.00 0.00 N ATOM 464 CA ASN A 33 76.698 1.428 -4.866 1.00 0.00 C ATOM 465 C ASN A 33 77.109 2.816 -4.390 1.00 0.00 C ATOM 466 O ASN A 33 77.282 3.734 -5.189 1.00 0.00 O ATOM 467 CB ASN A 33 75.319 1.522 -5.516 1.00 0.00 C ATOM 468 CG ASN A 33 74.891 0.155 -6.035 1.00 0.00 C ATOM 469 OD1 ASN A 33 73.832 0.026 -6.650 1.00 0.00 O ATOM 470 ND2 ASN A 33 75.648 -0.881 -5.812 1.00 0.00 N ATOM 0 H ASN A 33 75.874 0.637 -3.100 1.00 0.00 H new ATOM 0 HA ASN A 33 77.433 1.065 -5.585 1.00 0.00 H new ATOM 0 HB2 ASN A 33 74.591 1.889 -4.792 1.00 0.00 H new ATOM 0 HB3 ASN A 33 75.343 2.240 -6.336 1.00 0.00 H new ATOM 0 HD21 ASN A 33 75.364 -1.802 -6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 33 76.525 -0.772 -5.302 1.00 0.00 H new ATOM 477 N TYR A 34 77.232 2.987 -3.090 1.00 0.00 N ATOM 478 CA TYR A 34 77.586 4.286 -2.535 1.00 0.00 C ATOM 479 C TYR A 34 78.805 4.853 -3.255 1.00 0.00 C ATOM 480 O TYR A 34 78.788 5.998 -3.700 1.00 0.00 O ATOM 481 CB TYR A 34 77.910 4.136 -1.047 1.00 0.00 C ATOM 482 CG TYR A 34 77.881 5.492 -0.386 1.00 0.00 C ATOM 483 CD1 TYR A 34 78.966 6.362 -0.510 1.00 0.00 C ATOM 484 CD2 TYR A 34 76.758 5.877 0.347 1.00 0.00 C ATOM 485 CE1 TYR A 34 78.923 7.621 0.102 1.00 0.00 C ATOM 486 CE2 TYR A 34 76.711 7.133 0.959 1.00 0.00 C ATOM 487 CZ TYR A 34 77.797 8.006 0.838 1.00 0.00 C ATOM 488 OH TYR A 34 77.756 9.246 1.442 1.00 0.00 O ATOM 0 H TYR A 34 77.094 2.251 -2.398 1.00 0.00 H new ATOM 0 HA TYR A 34 76.743 4.965 -2.666 1.00 0.00 H new ATOM 0 HB2 TYR A 34 77.187 3.473 -0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 34 78.892 3.680 -0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 34 79.836 6.065 -1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 34 75.921 5.201 0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 34 79.761 8.296 0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 34 75.839 7.428 1.523 1.00 0.00 H new ATOM 0 HH TYR A 34 76.902 9.353 1.911 1.00 0.00 H new ATOM 498 N ASP A 35 79.857 4.040 -3.381 1.00 0.00 N ATOM 499 CA ASP A 35 81.070 4.473 -4.065 1.00 0.00 C ATOM 500 C ASP A 35 81.071 3.920 -5.480 1.00 0.00 C ATOM 501 O ASP A 35 81.964 4.206 -6.280 1.00 0.00 O ATOM 502 CB ASP A 35 82.310 3.959 -3.327 1.00 0.00 C ATOM 503 CG ASP A 35 82.214 2.456 -3.099 1.00 0.00 C ATOM 504 OD1 ASP A 35 81.196 1.882 -3.448 1.00 0.00 O ATOM 505 OD2 ASP A 35 83.159 1.902 -2.559 1.00 0.00 O1- ATOM 0 H ASP A 35 79.890 3.086 -3.020 1.00 0.00 H new ATOM 0 HA ASP A 35 81.094 5.563 -4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 35 83.205 4.188 -3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 35 82.409 4.472 -2.370 1.00 0.00 H new ATOM 510 N LEU A 36 80.047 3.126 -5.780 1.00 0.00 N ATOM 511 CA LEU A 36 79.893 2.519 -7.101 1.00 0.00 C ATOM 512 C LEU A 36 78.623 3.047 -7.768 1.00 0.00 C ATOM 513 O LEU A 36 77.522 2.883 -7.255 1.00 0.00 O ATOM 514 CB LEU A 36 79.887 0.965 -6.970 1.00 0.00 C ATOM 515 CG LEU A 36 79.031 0.309 -8.071 1.00 0.00 C ATOM 516 CD1 LEU A 36 79.643 0.590 -9.458 1.00 0.00 C ATOM 517 CD2 LEU A 36 78.978 -1.197 -7.856 1.00 0.00 C ATOM 0 H LEU A 36 79.306 2.886 -5.122 1.00 0.00 H new ATOM 0 HA LEU A 36 80.735 2.791 -7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 36 80.909 0.590 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 36 79.501 0.683 -5.991 1.00 0.00 H new ATOM 0 HG LEU A 36 78.026 0.727 -8.023 1.00 0.00 H new ATOM 0 HD11 LEU A 36 79.030 0.122 -10.228 1.00 0.00 H new ATOM 0 HD12 LEU A 36 79.680 1.666 -9.628 1.00 0.00 H new ATOM 0 HD13 LEU A 36 80.653 0.181 -9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 36 78.371 -1.655 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 36 79.988 -1.606 -7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 36 78.537 -1.410 -6.882 1.00 0.00 H new ATOM 529 N GLU A 37 78.787 3.639 -8.933 1.00 0.00 N ATOM 530 CA GLU A 37 77.647 4.152 -9.676 1.00 0.00 C ATOM 531 C GLU A 37 76.707 3.013 -10.058 1.00 0.00 C ATOM 532 O GLU A 37 77.148 1.951 -10.497 1.00 0.00 O ATOM 533 CB GLU A 37 78.128 4.870 -10.939 1.00 0.00 C ATOM 534 CG GLU A 37 79.002 3.923 -11.764 1.00 0.00 C ATOM 535 CD GLU A 37 79.596 4.672 -12.952 1.00 0.00 C ATOM 536 OE1 GLU A 37 80.150 5.738 -12.738 1.00 0.00 O ATOM 537 OE2 GLU A 37 79.486 4.170 -14.060 1.00 0.00 O1- ATOM 0 H GLU A 37 79.690 3.778 -9.386 1.00 0.00 H new ATOM 0 HA GLU A 37 77.108 4.857 -9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 37 77.274 5.201 -11.530 1.00 0.00 H new ATOM 0 HB3 GLU A 37 78.694 5.762 -10.670 1.00 0.00 H new ATOM 0 HG2 GLU A 37 79.800 3.516 -11.143 1.00 0.00 H new ATOM 0 HG3 GLU A 37 78.409 3.078 -12.115 1.00 0.00 H new ATOM 544 N CYS A 38 75.408 3.245 -9.892 1.00 0.00 N ATOM 545 CA CYS A 38 74.403 2.239 -10.227 1.00 0.00 C ATOM 546 C CYS A 38 73.142 2.920 -10.751 1.00 0.00 C ATOM 547 O CYS A 38 72.494 3.676 -10.029 1.00 0.00 O ATOM 548 CB CYS A 38 74.081 1.374 -8.988 1.00 0.00 C ATOM 549 SG CYS A 38 72.847 2.184 -7.934 1.00 0.00 S ATOM 0 H CYS A 38 75.026 4.118 -9.528 1.00 0.00 H new ATOM 0 HA CYS A 38 74.796 1.587 -11.007 1.00 0.00 H new ATOM 0 HB2 CYS A 38 73.710 0.400 -9.306 1.00 0.00 H new ATOM 0 HB3 CYS A 38 74.992 1.197 -8.417 1.00 0.00 H new ATOM 554 N MET A 39 72.800 2.654 -12.015 1.00 0.00 N ATOM 555 CA MET A 39 71.608 3.252 -12.629 1.00 0.00 C ATOM 556 C MET A 39 71.303 4.629 -12.037 1.00 0.00 C ATOM 557 O MET A 39 70.142 4.998 -11.860 1.00 0.00 O ATOM 558 CB MET A 39 70.418 2.318 -12.409 1.00 0.00 C ATOM 559 CG MET A 39 70.532 1.109 -13.332 1.00 0.00 C ATOM 560 SD MET A 39 69.127 0.000 -13.050 1.00 0.00 S ATOM 561 CE MET A 39 69.610 -0.608 -11.411 1.00 0.00 C ATOM 0 H MET A 39 73.326 2.034 -12.630 1.00 0.00 H new ATOM 0 HA MET A 39 71.794 3.385 -13.695 1.00 0.00 H new ATOM 0 HB2 MET A 39 70.388 1.992 -11.369 1.00 0.00 H new ATOM 0 HB3 MET A 39 69.486 2.849 -12.604 1.00 0.00 H new ATOM 0 HG2 MET A 39 70.550 1.433 -14.373 1.00 0.00 H new ATOM 0 HG3 MET A 39 71.468 0.582 -13.145 1.00 0.00 H new ATOM 0 HE1 MET A 39 69.632 -1.698 -11.419 1.00 0.00 H new ATOM 0 HE2 MET A 39 70.600 -0.227 -11.159 1.00 0.00 H new ATOM 0 HE3 MET A 39 68.889 -0.265 -10.669 1.00 0.00 H new ATOM 571 N SER A 40 72.361 5.370 -11.714 1.00 0.00 N ATOM 572 CA SER A 40 72.214 6.695 -11.121 1.00 0.00 C ATOM 573 C SER A 40 71.062 6.707 -10.115 1.00 0.00 C ATOM 574 O SER A 40 71.164 6.126 -9.035 1.00 0.00 O ATOM 575 CB SER A 40 71.969 7.728 -12.221 1.00 0.00 C ATOM 576 OG SER A 40 73.206 8.035 -12.854 1.00 0.00 O ATOM 0 H SER A 40 73.327 5.075 -11.853 1.00 0.00 H new ATOM 0 HA SER A 40 73.133 6.949 -10.592 1.00 0.00 H new ATOM 0 HB2 SER A 40 71.259 7.339 -12.951 1.00 0.00 H new ATOM 0 HB3 SER A 40 71.529 8.631 -11.798 1.00 0.00 H new ATOM 0 HG SER A 40 73.056 8.696 -13.562 1.00 0.00 H new ATOM 582 N MET A 41 69.964 7.366 -10.484 1.00 0.00 N ATOM 583 CA MET A 41 68.788 7.450 -9.616 1.00 0.00 C ATOM 584 C MET A 41 67.506 7.357 -10.435 1.00 0.00 C ATOM 585 O MET A 41 66.457 6.976 -9.917 1.00 0.00 O ATOM 586 CB MET A 41 68.810 8.765 -8.835 1.00 0.00 C ATOM 587 CG MET A 41 69.937 8.722 -7.801 1.00 0.00 C ATOM 588 SD MET A 41 69.982 10.285 -6.890 1.00 0.00 S ATOM 589 CE MET A 41 68.378 10.122 -6.061 1.00 0.00 C ATOM 0 H MET A 41 69.863 7.849 -11.377 1.00 0.00 H new ATOM 0 HA MET A 41 68.815 6.614 -8.917 1.00 0.00 H new ATOM 0 HB2 MET A 41 68.958 9.603 -9.516 1.00 0.00 H new ATOM 0 HB3 MET A 41 67.852 8.923 -8.339 1.00 0.00 H new ATOM 0 HG2 MET A 41 69.781 7.892 -7.112 1.00 0.00 H new ATOM 0 HG3 MET A 41 70.893 8.550 -8.296 1.00 0.00 H new ATOM 0 HE1 MET A 41 67.688 10.868 -6.455 1.00 0.00 H new ATOM 0 HE2 MET A 41 67.976 9.125 -6.240 1.00 0.00 H new ATOM 0 HE3 MET A 41 68.505 10.275 -4.989 1.00 0.00 H new ATOM 599 N GLY A 42 67.597 7.705 -11.714 1.00 0.00 N ATOM 600 CA GLY A 42 66.434 7.652 -12.596 1.00 0.00 C ATOM 601 C GLY A 42 65.483 8.806 -12.315 1.00 0.00 C ATOM 602 O GLY A 42 65.522 9.400 -11.241 1.00 0.00 O ATOM 0 H GLY A 42 68.456 8.025 -12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 42 66.760 7.689 -13.636 1.00 0.00 H new ATOM 0 HA3 GLY A 42 65.912 6.705 -12.459 1.00 0.00 H new ATOM 606 N CYS A 43 64.627 9.114 -13.285 1.00 0.00 N ATOM 607 CA CYS A 43 63.658 10.201 -13.134 1.00 0.00 C ATOM 608 C CYS A 43 62.312 9.650 -12.676 1.00 0.00 C ATOM 609 O CYS A 43 61.285 9.890 -13.310 1.00 0.00 O ATOM 610 CB CYS A 43 63.488 10.928 -14.471 1.00 0.00 C ATOM 611 SG CYS A 43 62.218 12.211 -14.312 1.00 0.00 S ATOM 0 H CYS A 43 64.582 8.630 -14.182 1.00 0.00 H new ATOM 0 HA CYS A 43 64.027 10.900 -12.383 1.00 0.00 H new ATOM 0 HB2 CYS A 43 64.434 11.375 -14.776 1.00 0.00 H new ATOM 0 HB3 CYS A 43 63.206 10.218 -15.249 1.00 0.00 H new ATOM 616 N VAL A 44 62.324 8.905 -11.568 1.00 0.00 N ATOM 617 CA VAL A 44 61.096 8.317 -11.029 1.00 0.00 C ATOM 618 C VAL A 44 61.035 8.484 -9.513 1.00 0.00 C ATOM 619 O VAL A 44 62.064 8.582 -8.841 1.00 0.00 O ATOM 620 CB VAL A 44 61.032 6.832 -11.379 1.00 0.00 C ATOM 621 CG1 VAL A 44 60.965 6.671 -12.898 1.00 0.00 C ATOM 622 CG2 VAL A 44 62.282 6.129 -10.848 1.00 0.00 C ATOM 0 H VAL A 44 63.165 8.696 -11.030 1.00 0.00 H new ATOM 0 HA VAL A 44 60.246 8.835 -11.474 1.00 0.00 H new ATOM 0 HB VAL A 44 60.145 6.389 -10.926 1.00 0.00 H new ATOM 0 HG11 VAL A 44 60.919 5.611 -13.150 1.00 0.00 H new ATOM 0 HG12 VAL A 44 60.075 7.173 -13.278 1.00 0.00 H new ATOM 0 HG13 VAL A 44 61.853 7.113 -13.350 1.00 0.00 H new ATOM 0 HG21 VAL A 44 62.237 5.069 -11.097 1.00 0.00 H new ATOM 0 HG22 VAL A 44 63.169 6.571 -11.302 1.00 0.00 H new ATOM 0 HG23 VAL A 44 62.333 6.245 -9.765 1.00 0.00 H new ATOM 632 N SER A 45 59.818 8.496 -8.988 1.00 0.00 N ATOM 633 CA SER A 45 59.620 8.628 -7.549 1.00 0.00 C ATOM 634 C SER A 45 60.094 7.373 -6.824 1.00 0.00 C ATOM 635 O SER A 45 59.864 6.252 -7.279 1.00 0.00 O ATOM 636 CB SER A 45 58.145 8.871 -7.236 1.00 0.00 C ATOM 637 OG SER A 45 57.961 8.887 -5.826 1.00 0.00 O ATOM 0 H SER A 45 58.958 8.417 -9.531 1.00 0.00 H new ATOM 0 HA SER A 45 60.206 9.480 -7.203 1.00 0.00 H new ATOM 0 HB2 SER A 45 57.821 9.818 -7.667 1.00 0.00 H new ATOM 0 HB3 SER A 45 57.532 8.090 -7.686 1.00 0.00 H new ATOM 0 HG SER A 45 57.016 9.044 -5.621 1.00 0.00 H new ATOM 643 N GLY A 46 60.764 7.574 -5.691 1.00 0.00 N ATOM 644 CA GLY A 46 61.277 6.455 -4.906 1.00 0.00 C ATOM 645 C GLY A 46 61.489 6.848 -3.445 1.00 0.00 C ATOM 646 O GLY A 46 61.477 8.023 -3.091 1.00 0.00 O ATOM 0 H GLY A 46 60.963 8.494 -5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 46 60.579 5.620 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 46 62.220 6.112 -5.332 1.00 0.00 H new ATOM 650 N CYS A 47 61.651 5.840 -2.603 1.00 0.00 N ATOM 651 CA CYS A 47 61.847 6.052 -1.165 1.00 0.00 C ATOM 652 C CYS A 47 63.157 5.431 -0.696 1.00 0.00 C ATOM 653 O CYS A 47 63.316 4.216 -0.691 1.00 0.00 O ATOM 654 CB CYS A 47 60.666 5.472 -0.384 1.00 0.00 C ATOM 655 SG CYS A 47 60.788 3.664 -0.259 1.00 0.00 S ATOM 0 H CYS A 47 61.652 4.860 -2.886 1.00 0.00 H new ATOM 0 HA CYS A 47 61.900 7.125 -0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.638 5.907 0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 47 59.732 5.743 -0.876 1.00 0.00 H new ATOM 660 N LEU A 48 64.106 6.283 -0.314 1.00 0.00 N ATOM 661 CA LEU A 48 65.421 5.819 0.139 1.00 0.00 C ATOM 662 C LEU A 48 65.702 6.346 1.535 1.00 0.00 C ATOM 663 O LEU A 48 65.024 7.254 2.004 1.00 0.00 O ATOM 664 CB LEU A 48 66.500 6.341 -0.810 1.00 0.00 C ATOM 665 CG LEU A 48 66.101 6.041 -2.254 1.00 0.00 C ATOM 666 CD1 LEU A 48 67.143 6.645 -3.197 1.00 0.00 C ATOM 667 CD2 LEU A 48 66.043 4.524 -2.478 1.00 0.00 C ATOM 0 H LEU A 48 63.992 7.297 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 48 65.428 4.729 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.630 7.415 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.457 5.872 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 48 65.120 6.472 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.865 6.435 -4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 48 67.189 7.724 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 48 68.119 6.208 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.758 4.319 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.023 4.089 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 48 65.307 4.085 -1.804 1.00 0.00 H new ATOM 679 N CYS A 49 66.707 5.775 2.195 1.00 0.00 N ATOM 680 CA CYS A 49 67.065 6.205 3.546 1.00 0.00 C ATOM 681 C CYS A 49 68.014 7.408 3.482 1.00 0.00 C ATOM 682 O CYS A 49 68.612 7.678 2.441 1.00 0.00 O ATOM 683 CB CYS A 49 67.711 5.025 4.313 1.00 0.00 C ATOM 684 SG CYS A 49 66.650 4.538 5.701 1.00 0.00 S ATOM 0 H CYS A 49 67.283 5.021 1.822 1.00 0.00 H new ATOM 0 HA CYS A 49 66.166 6.514 4.080 1.00 0.00 H new ATOM 0 HB2 CYS A 49 67.857 4.179 3.641 1.00 0.00 H new ATOM 0 HB3 CYS A 49 68.696 5.314 4.680 1.00 0.00 H new ATOM 689 N PRO A 50 68.158 8.126 4.568 1.00 0.00 N ATOM 690 CA PRO A 50 69.044 9.321 4.633 1.00 0.00 C ATOM 691 C PRO A 50 70.368 9.103 3.883 1.00 0.00 C ATOM 692 O PRO A 50 70.797 7.965 3.691 1.00 0.00 O ATOM 693 CB PRO A 50 69.283 9.500 6.140 1.00 0.00 C ATOM 694 CG PRO A 50 68.061 8.941 6.801 1.00 0.00 C ATOM 695 CD PRO A 50 67.490 7.874 5.857 1.00 0.00 C ATOM 0 HA PRO A 50 68.598 10.195 4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.181 8.972 6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 50 69.422 10.551 6.394 1.00 0.00 H new ATOM 0 HG2 PRO A 50 68.311 8.506 7.769 1.00 0.00 H new ATOM 0 HG3 PRO A 50 67.328 9.727 6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 50 67.699 6.868 6.222 1.00 0.00 H new ATOM 0 HD3 PRO A 50 66.407 7.962 5.767 1.00 0.00 H new ATOM 703 N PRO A 51 71.020 10.165 3.473 1.00 0.00 N ATOM 704 CA PRO A 51 72.325 10.079 2.745 1.00 0.00 C ATOM 705 C PRO A 51 73.432 9.491 3.625 1.00 0.00 C ATOM 706 O PRO A 51 74.457 9.031 3.123 1.00 0.00 O ATOM 707 CB PRO A 51 72.626 11.541 2.360 1.00 0.00 C ATOM 708 CG PRO A 51 71.839 12.369 3.324 1.00 0.00 C ATOM 709 CD PRO A 51 70.586 11.562 3.645 1.00 0.00 C ATOM 0 HA PRO A 51 72.276 9.416 1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 51 73.692 11.756 2.434 1.00 0.00 H new ATOM 0 HB3 PRO A 51 72.330 11.746 1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 51 72.416 12.570 4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 51 71.581 13.334 2.889 1.00 0.00 H new ATOM 0 HD2 PRO A 51 70.236 11.751 4.660 1.00 0.00 H new ATOM 0 HD3 PRO A 51 69.765 11.812 2.973 1.00 0.00 H new ATOM 717 N GLY A 52 73.221 9.511 4.939 1.00 0.00 N ATOM 718 CA GLY A 52 74.209 8.972 5.880 1.00 0.00 C ATOM 719 C GLY A 52 73.902 7.510 6.198 1.00 0.00 C ATOM 720 O GLY A 52 74.755 6.774 6.694 1.00 0.00 O ATOM 0 H GLY A 52 72.382 9.891 5.377 1.00 0.00 H new ATOM 0 HA2 GLY A 52 75.209 9.056 5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 52 74.203 9.559 6.798 1.00 0.00 H new ATOM 724 N MET A 53 72.675 7.104 5.895 1.00 0.00 N ATOM 725 CA MET A 53 72.234 5.724 6.140 1.00 0.00 C ATOM 726 C MET A 53 72.024 4.985 4.837 1.00 0.00 C ATOM 727 O MET A 53 71.696 5.579 3.809 1.00 0.00 O ATOM 728 CB MET A 53 70.952 5.703 6.974 1.00 0.00 C ATOM 729 CG MET A 53 71.182 6.412 8.320 1.00 0.00 C ATOM 730 SD MET A 53 70.098 5.685 9.571 1.00 0.00 S ATOM 731 CE MET A 53 71.222 4.359 10.072 1.00 0.00 C ATOM 0 H MET A 53 71.964 7.705 5.479 1.00 0.00 H new ATOM 0 HA MET A 53 73.019 5.217 6.700 1.00 0.00 H new ATOM 0 HB2 MET A 53 70.147 6.195 6.429 1.00 0.00 H new ATOM 0 HB3 MET A 53 70.638 4.673 7.146 1.00 0.00 H new ATOM 0 HG2 MET A 53 72.224 6.312 8.623 1.00 0.00 H new ATOM 0 HG3 MET A 53 70.979 7.478 8.222 1.00 0.00 H new ATOM 0 HE1 MET A 53 70.836 3.875 10.969 1.00 0.00 H new ATOM 0 HE2 MET A 53 71.301 3.626 9.269 1.00 0.00 H new ATOM 0 HE3 MET A 53 72.207 4.776 10.280 1.00 0.00 H new ATOM 741 N VAL A 54 72.248 3.666 4.893 1.00 0.00 N ATOM 742 CA VAL A 54 72.116 2.809 3.710 1.00 0.00 C ATOM 743 C VAL A 54 71.167 1.650 3.994 1.00 0.00 C ATOM 744 O VAL A 54 71.257 0.992 5.032 1.00 0.00 O ATOM 745 CB VAL A 54 73.490 2.257 3.300 1.00 0.00 C ATOM 746 CG1 VAL A 54 74.285 3.320 2.552 1.00 0.00 C ATOM 747 CG2 VAL A 54 74.287 1.852 4.541 1.00 0.00 C ATOM 0 H VAL A 54 72.521 3.171 5.742 1.00 0.00 H new ATOM 0 HA VAL A 54 71.710 3.409 2.896 1.00 0.00 H new ATOM 0 HB VAL A 54 73.328 1.391 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 54 75.256 2.915 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 54 73.740 3.619 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 54 74.428 4.188 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 54 75.259 1.462 4.238 1.00 0.00 H new ATOM 0 HG22 VAL A 54 74.429 2.722 5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 54 73.742 1.083 5.088 1.00 0.00 H new ATOM 757 N ARG A 55 70.263 1.411 3.050 1.00 0.00 N ATOM 758 CA ARG A 55 69.299 0.332 3.182 1.00 0.00 C ATOM 759 C ARG A 55 69.971 -1.026 2.955 1.00 0.00 C ATOM 760 O ARG A 55 70.561 -1.285 1.913 1.00 0.00 O ATOM 761 CB ARG A 55 68.150 0.531 2.187 1.00 0.00 C ATOM 762 CG ARG A 55 68.708 0.799 0.787 1.00 0.00 C ATOM 763 CD ARG A 55 67.554 1.066 -0.176 1.00 0.00 C ATOM 764 NE ARG A 55 66.726 -0.126 -0.312 1.00 0.00 N ATOM 765 CZ ARG A 55 67.065 -1.108 -1.141 1.00 0.00 C ATOM 766 NH1 ARG A 55 68.159 -1.019 -1.846 1.00 0.00 N ATOM 767 NH2 ARG A 55 66.302 -2.161 -1.246 1.00 0.00 N1+ ATOM 0 H ARG A 55 70.180 1.950 2.188 1.00 0.00 H new ATOM 0 HA ARG A 55 68.897 0.348 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 55 67.515 -0.355 2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 55 67.525 1.366 2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 55 69.382 1.655 0.810 1.00 0.00 H new ATOM 0 HG3 ARG A 55 69.291 -0.057 0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 55 66.951 1.897 0.189 1.00 0.00 H new ATOM 0 HD3 ARG A 55 67.944 1.360 -1.150 1.00 0.00 H new ATOM 0 HE ARG A 55 65.871 -0.208 0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 55 68.755 -0.195 -1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 55 68.419 -1.773 -2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 55 65.448 -2.229 -0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 55 66.560 -2.916 -1.881 1.00 0.00 H new ATOM 781 N HIS A 56 69.869 -1.895 3.949 1.00 0.00 N ATOM 782 CA HIS A 56 70.453 -3.229 3.877 1.00 0.00 C ATOM 783 C HIS A 56 69.446 -4.255 4.399 1.00 0.00 C ATOM 784 O HIS A 56 68.965 -4.160 5.528 1.00 0.00 O ATOM 785 CB HIS A 56 71.766 -3.268 4.697 1.00 0.00 C ATOM 786 CG HIS A 56 72.032 -4.663 5.192 1.00 0.00 C ATOM 787 ND1 HIS A 56 72.188 -5.733 4.327 1.00 0.00 N ATOM 788 CD2 HIS A 56 72.113 -5.185 6.457 1.00 0.00 C ATOM 789 CE1 HIS A 56 72.346 -6.836 5.079 1.00 0.00 C ATOM 790 NE2 HIS A 56 72.311 -6.557 6.384 1.00 0.00 N ATOM 0 H HIS A 56 69.383 -1.699 4.824 1.00 0.00 H new ATOM 0 HA HIS A 56 70.690 -3.475 2.842 1.00 0.00 H new ATOM 0 HB2 HIS A 56 72.598 -2.929 4.080 1.00 0.00 H new ATOM 0 HB3 HIS A 56 71.696 -2.583 5.542 1.00 0.00 H new ATOM 0 HD2 HIS A 56 72.035 -4.615 7.371 1.00 0.00 H new ATOM 0 HE1 HIS A 56 72.485 -7.828 4.676 1.00 0.00 H new ATOM 0 HE2 HIS A 56 72.409 -7.211 7.160 1.00 0.00 H new ATOM 798 N GLU A 57 69.147 -5.237 3.565 1.00 0.00 N ATOM 799 CA GLU A 57 68.209 -6.289 3.937 1.00 0.00 C ATOM 800 C GLU A 57 66.915 -5.661 4.441 1.00 0.00 C ATOM 801 O GLU A 57 66.259 -6.196 5.326 1.00 0.00 O ATOM 802 CB GLU A 57 68.817 -7.177 5.034 1.00 0.00 C ATOM 803 CG GLU A 57 68.052 -8.503 5.124 1.00 0.00 C ATOM 804 CD GLU A 57 68.714 -9.418 6.147 1.00 0.00 C ATOM 805 OE1 GLU A 57 69.850 -9.152 6.503 1.00 0.00 O ATOM 806 OE2 GLU A 57 68.072 -10.369 6.560 1.00 0.00 O1- ATOM 0 H GLU A 57 69.538 -5.330 2.627 1.00 0.00 H new ATOM 0 HA GLU A 57 67.998 -6.905 3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 57 69.868 -7.369 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 57 68.779 -6.661 5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 57 67.016 -8.316 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 57 68.033 -8.988 4.148 1.00 0.00 H new ATOM 813 N ASN A 58 66.564 -4.514 3.864 1.00 0.00 N ATOM 814 CA ASN A 58 65.346 -3.798 4.246 1.00 0.00 C ATOM 815 C ASN A 58 65.557 -3.008 5.530 1.00 0.00 C ATOM 816 O ASN A 58 64.587 -2.595 6.163 1.00 0.00 O ATOM 817 CB ASN A 58 64.178 -4.785 4.442 1.00 0.00 C ATOM 818 CG ASN A 58 64.257 -5.888 3.395 1.00 0.00 C ATOM 819 OD1 ASN A 58 64.081 -7.065 3.712 1.00 0.00 O ATOM 820 ND2 ASN A 58 64.521 -5.575 2.157 1.00 0.00 N ATOM 0 H ASN A 58 67.106 -4.059 3.129 1.00 0.00 H new ATOM 0 HA ASN A 58 65.104 -3.105 3.440 1.00 0.00 H new ATOM 0 HB2 ASN A 58 64.218 -5.216 5.442 1.00 0.00 H new ATOM 0 HB3 ASN A 58 63.227 -4.259 4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 58 64.582 -6.306 1.448 1.00 0.00 H new ATOM 0 HD22 ASN A 58 64.666 -4.599 1.897 1.00 0.00 H new ATOM 827 N ARG A 59 66.820 -2.829 5.948 1.00 0.00 N ATOM 828 CA ARG A 59 67.126 -2.127 7.192 1.00 0.00 C ATOM 829 C ARG A 59 68.082 -0.983 6.883 1.00 0.00 C ATOM 830 O ARG A 59 68.909 -1.101 5.994 1.00 0.00 O ATOM 831 CB ARG A 59 67.817 -3.102 8.178 1.00 0.00 C ATOM 832 CG ARG A 59 67.326 -4.559 7.973 1.00 0.00 C ATOM 833 CD ARG A 59 68.384 -5.537 8.494 1.00 0.00 C ATOM 834 NE ARG A 59 68.559 -5.370 9.930 1.00 0.00 N ATOM 835 CZ ARG A 59 69.566 -5.953 10.560 1.00 0.00 C ATOM 836 NH1 ARG A 59 70.421 -6.674 9.889 1.00 0.00 N ATOM 837 NH2 ARG A 59 69.708 -5.800 11.847 1.00 0.00 N1+ ATOM 0 H ARG A 59 67.640 -3.162 5.440 1.00 0.00 H new ATOM 0 HA ARG A 59 66.207 -1.746 7.637 1.00 0.00 H new ATOM 0 HB2 ARG A 59 68.897 -3.058 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 59 67.615 -2.789 9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 59 66.384 -4.713 8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 59 67.135 -4.744 6.916 1.00 0.00 H new ATOM 0 HD2 ARG A 59 68.083 -6.561 8.274 1.00 0.00 H new ATOM 0 HD3 ARG A 59 69.331 -5.366 7.982 1.00 0.00 H new ATOM 0 HE ARG A 59 67.898 -4.798 10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 59 70.312 -6.787 8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 59 71.198 -7.125 10.372 1.00 0.00 H new ATOM 0 HH21 ARG A 59 69.042 -5.230 12.369 1.00 0.00 H new ATOM 0 HH22 ARG A 59 70.485 -6.250 12.331 1.00 0.00 H new ATOM 851 N CYS A 60 67.993 0.109 7.627 1.00 0.00 N ATOM 852 CA CYS A 60 68.892 1.243 7.397 1.00 0.00 C ATOM 853 C CYS A 60 69.979 1.305 8.456 1.00 0.00 C ATOM 854 O CYS A 60 69.712 1.543 9.631 1.00 0.00 O ATOM 855 CB CYS A 60 68.108 2.545 7.414 1.00 0.00 C ATOM 856 SG CYS A 60 67.026 2.580 5.971 1.00 0.00 S ATOM 0 H CYS A 60 67.322 0.239 8.384 1.00 0.00 H new ATOM 0 HA CYS A 60 69.358 1.104 6.422 1.00 0.00 H new ATOM 0 HB2 CYS A 60 67.521 2.622 8.329 1.00 0.00 H new ATOM 0 HB3 CYS A 60 68.788 3.397 7.399 1.00 0.00 H new ATOM 861 N VAL A 61 71.212 1.087 8.018 1.00 0.00 N ATOM 862 CA VAL A 61 72.357 1.119 8.925 1.00 0.00 C ATOM 863 C VAL A 61 73.382 2.128 8.433 1.00 0.00 C ATOM 864 O VAL A 61 73.380 2.514 7.268 1.00 0.00 O ATOM 865 CB VAL A 61 73.009 -0.262 9.004 1.00 0.00 C ATOM 866 CG1 VAL A 61 71.944 -1.299 9.371 1.00 0.00 C ATOM 867 CG2 VAL A 61 73.631 -0.619 7.653 1.00 0.00 C ATOM 0 H VAL A 61 71.447 0.887 7.046 1.00 0.00 H new ATOM 0 HA VAL A 61 72.005 1.409 9.915 1.00 0.00 H new ATOM 0 HB VAL A 61 73.791 -0.254 9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 61 72.402 -2.286 9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 61 71.506 -1.045 10.336 1.00 0.00 H new ATOM 0 HG13 VAL A 61 71.164 -1.305 8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 61 74.094 -1.604 7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 61 72.856 -0.630 6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 61 74.387 0.122 7.393 1.00 0.00 H new ATOM 877 N ALA A 62 74.260 2.541 9.332 1.00 0.00 N ATOM 878 CA ALA A 62 75.310 3.496 8.995 1.00 0.00 C ATOM 879 C ALA A 62 76.334 2.856 8.072 1.00 0.00 C ATOM 880 O ALA A 62 76.621 1.661 8.164 1.00 0.00 O ATOM 881 CB ALA A 62 75.990 3.982 10.267 1.00 0.00 C ATOM 0 H ALA A 62 74.269 2.231 10.304 1.00 0.00 H new ATOM 0 HA ALA A 62 74.860 4.345 8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 62 76.774 4.695 10.011 1.00 0.00 H new ATOM 0 HB2 ALA A 62 75.255 4.466 10.910 1.00 0.00 H new ATOM 0 HB3 ALA A 62 76.429 3.134 10.792 1.00 0.00 H new ATOM 887 N LEU A 63 76.855 3.667 7.154 1.00 0.00 N ATOM 888 CA LEU A 63 77.815 3.184 6.171 1.00 0.00 C ATOM 889 C LEU A 63 78.915 2.392 6.855 1.00 0.00 C ATOM 890 O LEU A 63 79.224 1.270 6.456 1.00 0.00 O ATOM 891 CB LEU A 63 78.440 4.380 5.448 1.00 0.00 C ATOM 892 CG LEU A 63 77.459 4.940 4.401 1.00 0.00 C ATOM 893 CD1 LEU A 63 77.749 6.422 4.145 1.00 0.00 C ATOM 894 CD2 LEU A 63 77.618 4.180 3.084 1.00 0.00 C ATOM 0 H LEU A 63 76.628 4.658 7.072 1.00 0.00 H new ATOM 0 HA LEU A 63 77.299 2.540 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.697 5.156 6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 63 79.368 4.077 4.962 1.00 0.00 H new ATOM 0 HG LEU A 63 76.444 4.823 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 63 77.049 6.807 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 63 77.636 6.981 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.768 6.535 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 63 76.922 4.580 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.639 4.294 2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 63 77.407 3.123 3.246 1.00 0.00 H new ATOM 906 N GLU A 64 79.509 2.982 7.882 1.00 0.00 N ATOM 907 CA GLU A 64 80.575 2.319 8.608 1.00 0.00 C ATOM 908 C GLU A 64 80.072 1.027 9.223 1.00 0.00 C ATOM 909 O GLU A 64 80.864 0.177 9.623 1.00 0.00 O ATOM 910 CB GLU A 64 81.099 3.230 9.720 1.00 0.00 C ATOM 911 CG GLU A 64 80.043 3.370 10.830 1.00 0.00 C ATOM 912 CD GLU A 64 80.466 4.462 11.804 1.00 0.00 C ATOM 913 OE1 GLU A 64 80.964 5.476 11.344 1.00 0.00 O ATOM 914 OE2 GLU A 64 80.289 4.266 12.995 1.00 0.00 O1- ATOM 0 H GLU A 64 79.271 3.912 8.227 1.00 0.00 H new ATOM 0 HA GLU A 64 81.379 2.096 7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 64 82.020 2.819 10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 64 81.342 4.211 9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 64 79.074 3.613 10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 64 79.928 2.423 11.357 1.00 0.00 H new ATOM 921 N ARG A 65 78.748 0.881 9.329 1.00 0.00 N ATOM 922 CA ARG A 65 78.166 -0.312 9.934 1.00 0.00 C ATOM 923 C ARG A 65 77.639 -1.251 8.861 1.00 0.00 C ATOM 924 O ARG A 65 77.241 -2.380 9.146 1.00 0.00 O ATOM 925 CB ARG A 65 77.020 0.121 10.837 1.00 0.00 C ATOM 926 CG ARG A 65 76.610 -1.034 11.740 1.00 0.00 C ATOM 927 CD ARG A 65 75.529 -0.546 12.688 1.00 0.00 C ATOM 928 NE ARG A 65 75.199 -1.592 13.656 1.00 0.00 N ATOM 929 CZ ARG A 65 74.294 -2.531 13.381 1.00 0.00 C ATOM 930 NH1 ARG A 65 73.660 -2.516 12.240 1.00 0.00 N ATOM 931 NH2 ARG A 65 74.038 -3.469 14.252 1.00 0.00 N1+ ATOM 0 H ARG A 65 78.068 1.569 9.006 1.00 0.00 H new ATOM 0 HA ARG A 65 78.928 -0.839 10.508 1.00 0.00 H new ATOM 0 HB2 ARG A 65 77.324 0.976 11.441 1.00 0.00 H new ATOM 0 HB3 ARG A 65 76.171 0.442 10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 65 76.242 -1.869 11.143 1.00 0.00 H new ATOM 0 HG3 ARG A 65 77.470 -1.399 12.302 1.00 0.00 H new ATOM 0 HD2 ARG A 65 75.869 0.349 13.210 1.00 0.00 H new ATOM 0 HD3 ARG A 65 74.639 -0.268 12.124 1.00 0.00 H new ATOM 0 HE ARG A 65 75.671 -1.603 14.560 1.00 0.00 H new ATOM 0 HH11 ARG A 65 73.857 -1.785 11.557 1.00 0.00 H new ATOM 0 HH12 ARG A 65 72.968 -3.236 12.032 1.00 0.00 H new ATOM 0 HH21 ARG A 65 74.531 -3.484 15.145 1.00 0.00 H new ATOM 0 HH22 ARG A 65 73.345 -4.187 14.040 1.00 0.00 H new ATOM 945 N CYS A 66 77.617 -0.780 7.628 1.00 0.00 N ATOM 946 CA CYS A 66 77.105 -1.598 6.542 1.00 0.00 C ATOM 947 C CYS A 66 77.865 -2.935 6.502 1.00 0.00 C ATOM 948 O CYS A 66 79.082 -2.962 6.686 1.00 0.00 O ATOM 949 CB CYS A 66 77.252 -0.840 5.199 1.00 0.00 C ATOM 950 SG CYS A 66 75.754 -1.053 4.202 1.00 0.00 S ATOM 0 H CYS A 66 77.941 0.148 7.355 1.00 0.00 H new ATOM 0 HA CYS A 66 76.047 -1.804 6.705 1.00 0.00 H new ATOM 0 HB2 CYS A 66 77.427 0.219 5.387 1.00 0.00 H new ATOM 0 HB3 CYS A 66 78.118 -1.214 4.653 1.00 0.00 H new ATOM 955 N PRO A 67 77.184 -4.039 6.283 1.00 0.00 N ATOM 956 CA PRO A 67 77.838 -5.381 6.241 1.00 0.00 C ATOM 957 C PRO A 67 78.797 -5.524 5.064 1.00 0.00 C ATOM 958 O PRO A 67 78.708 -4.800 4.072 1.00 0.00 O ATOM 959 CB PRO A 67 76.660 -6.364 6.137 1.00 0.00 C ATOM 960 CG PRO A 67 75.541 -5.568 5.552 1.00 0.00 C ATOM 961 CD PRO A 67 75.730 -4.141 6.054 1.00 0.00 C ATOM 0 HA PRO A 67 78.460 -5.560 7.118 1.00 0.00 H new ATOM 0 HB2 PRO A 67 76.911 -7.215 5.504 1.00 0.00 H new ATOM 0 HB3 PRO A 67 76.391 -6.762 7.115 1.00 0.00 H new ATOM 0 HG2 PRO A 67 75.565 -5.604 4.463 1.00 0.00 H new ATOM 0 HG3 PRO A 67 74.575 -5.966 5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 67 75.388 -3.410 5.321 1.00 0.00 H new ATOM 0 HD3 PRO A 67 75.167 -3.961 6.970 1.00 0.00 H new ATOM 969 N CYS A 68 79.722 -6.467 5.200 1.00 0.00 N ATOM 970 CA CYS A 68 80.721 -6.723 4.149 1.00 0.00 C ATOM 971 C CYS A 68 80.396 -8.013 3.409 1.00 0.00 C ATOM 972 O CYS A 68 79.587 -8.819 3.869 1.00 0.00 O ATOM 973 CB CYS A 68 82.126 -6.806 4.767 1.00 0.00 C ATOM 974 SG CYS A 68 81.981 -7.211 6.518 1.00 0.00 S ATOM 0 H CYS A 68 79.808 -7.068 6.020 1.00 0.00 H new ATOM 0 HA CYS A 68 80.696 -5.899 3.436 1.00 0.00 H new ATOM 0 HB2 CYS A 68 82.718 -7.564 4.254 1.00 0.00 H new ATOM 0 HB3 CYS A 68 82.647 -5.857 4.643 1.00 0.00 H new ATOM 979 N PHE A 69 81.040 -8.204 2.255 1.00 0.00 N ATOM 980 CA PHE A 69 80.817 -9.405 1.452 1.00 0.00 C ATOM 981 C PHE A 69 82.136 -10.009 1.001 1.00 0.00 C ATOM 982 O PHE A 69 82.988 -9.321 0.435 1.00 0.00 O ATOM 983 CB PHE A 69 79.971 -9.059 0.220 1.00 0.00 C ATOM 984 CG PHE A 69 78.867 -8.106 0.612 1.00 0.00 C ATOM 985 CD1 PHE A 69 77.630 -8.591 1.059 1.00 0.00 C ATOM 986 CD2 PHE A 69 79.084 -6.725 0.518 1.00 0.00 C ATOM 987 CE1 PHE A 69 76.609 -7.692 1.410 1.00 0.00 C ATOM 988 CE2 PHE A 69 78.065 -5.831 0.866 1.00 0.00 C ATOM 989 CZ PHE A 69 76.832 -6.310 1.311 1.00 0.00 C ATOM 0 H PHE A 69 81.714 -7.548 1.860 1.00 0.00 H new ATOM 0 HA PHE A 69 80.291 -10.133 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 69 80.598 -8.608 -0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 69 79.546 -9.967 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 69 77.462 -9.655 1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 69 80.038 -6.350 0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 69 75.655 -8.063 1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 69 78.233 -4.767 0.790 1.00 0.00 H new ATOM 0 HZ PHE A 69 76.049 -5.617 1.579 1.00 0.00 H new ATOM 999 N HIS A 70 82.300 -11.309 1.253 1.00 0.00 N ATOM 1000 CA HIS A 70 83.519 -12.009 0.865 1.00 0.00 C ATOM 1001 C HIS A 70 83.190 -13.411 0.360 1.00 0.00 C ATOM 1002 O HIS A 70 82.662 -14.238 1.097 1.00 0.00 O ATOM 1003 CB HIS A 70 84.478 -12.096 2.068 1.00 0.00 C ATOM 1004 CG HIS A 70 85.899 -12.166 1.591 1.00 0.00 C ATOM 1005 ND1 HIS A 70 86.623 -11.032 1.271 1.00 0.00 N ATOM 1006 CD2 HIS A 70 86.740 -13.227 1.373 1.00 0.00 C ATOM 1007 CE1 HIS A 70 87.844 -11.431 0.880 1.00 0.00 C ATOM 1008 NE2 HIS A 70 87.968 -12.760 0.921 1.00 0.00 N ATOM 0 H HIS A 70 81.607 -11.893 1.721 1.00 0.00 H new ATOM 0 HA HIS A 70 84.001 -11.453 0.061 1.00 0.00 H new ATOM 0 HB2 HIS A 70 84.345 -11.227 2.713 1.00 0.00 H new ATOM 0 HB3 HIS A 70 84.244 -12.976 2.667 1.00 0.00 H new ATOM 0 HD1 HIS A 70 86.290 -10.069 1.323 1.00 0.00 H new ATOM 0 HD2 HIS A 70 86.487 -14.265 1.529 1.00 0.00 H new ATOM 0 HE1 HIS A 70 88.630 -10.759 0.570 1.00 0.00 H new ATOM 1016 N GLN A 71 83.523 -13.670 -0.898 1.00 0.00 N ATOM 1017 CA GLN A 71 83.286 -14.979 -1.502 1.00 0.00 C ATOM 1018 C GLN A 71 81.802 -15.348 -1.514 1.00 0.00 C ATOM 1019 O GLN A 71 81.439 -16.478 -1.189 1.00 0.00 O ATOM 1020 CB GLN A 71 84.074 -16.049 -0.734 1.00 0.00 C ATOM 1021 CG GLN A 71 85.571 -15.802 -0.920 1.00 0.00 C ATOM 1022 CD GLN A 71 86.370 -16.755 -0.039 1.00 0.00 C ATOM 1023 OE1 GLN A 71 85.796 -17.622 0.618 1.00 0.00 O ATOM 1024 NE2 GLN A 71 87.668 -16.642 0.018 1.00 0.00 N ATOM 0 H GLN A 71 83.959 -12.991 -1.522 1.00 0.00 H new ATOM 0 HA GLN A 71 83.623 -14.930 -2.537 1.00 0.00 H new ATOM 0 HB2 GLN A 71 83.817 -16.017 0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 71 83.810 -17.042 -1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 71 85.844 -15.945 -1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 71 85.812 -14.770 -0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 71 88.142 -15.922 -0.528 1.00 0.00 H new ATOM 0 HE22 GLN A 71 88.209 -17.273 0.608 1.00 0.00 H new ATOM 1033 N GLY A 72 80.947 -14.407 -1.910 1.00 0.00 N ATOM 1034 CA GLY A 72 79.510 -14.665 -1.981 1.00 0.00 C ATOM 1035 C GLY A 72 78.858 -14.691 -0.600 1.00 0.00 C ATOM 1036 O GLY A 72 77.638 -14.774 -0.489 1.00 0.00 O ATOM 0 H GLY A 72 81.222 -13.464 -2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 72 79.035 -13.897 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 72 79.338 -15.619 -2.480 1.00 0.00 H new ATOM 1040 N LYS A 73 79.668 -14.611 0.448 1.00 0.00 N ATOM 1041 CA LYS A 73 79.143 -14.618 1.814 1.00 0.00 C ATOM 1042 C LYS A 73 79.150 -13.226 2.382 1.00 0.00 C ATOM 1043 O LYS A 73 79.986 -12.405 2.023 1.00 0.00 O ATOM 1044 CB LYS A 73 79.986 -15.524 2.703 1.00 0.00 C ATOM 1045 CG LYS A 73 79.739 -16.976 2.316 1.00 0.00 C ATOM 1046 CD LYS A 73 80.518 -17.884 3.262 1.00 0.00 C ATOM 1047 CE LYS A 73 80.252 -19.353 2.912 1.00 0.00 C ATOM 1048 NZ LYS A 73 81.080 -19.740 1.734 1.00 0.00 N1+ ATOM 0 H LYS A 73 80.684 -14.541 0.383 1.00 0.00 H new ATOM 0 HA LYS A 73 78.120 -14.993 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 73 81.043 -15.281 2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 73 79.730 -15.366 3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 73 78.674 -17.203 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 73 80.052 -17.149 1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 73 81.584 -17.671 3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 73 80.224 -17.688 4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.491 -19.990 3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.195 -19.500 2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 80.900 -20.736 1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 80.831 -19.139 0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 82.087 -19.615 1.961 1.00 0.00 H new ATOM 1062 N GLU A 74 78.187 -12.954 3.266 1.00 0.00 N ATOM 1063 CA GLU A 74 78.066 -11.632 3.884 1.00 0.00 C ATOM 1064 C GLU A 74 78.580 -11.660 5.317 1.00 0.00 C ATOM 1065 O GLU A 74 78.195 -12.517 6.114 1.00 0.00 O ATOM 1066 CB GLU A 74 76.601 -11.168 3.862 1.00 0.00 C ATOM 1067 CG GLU A 74 76.458 -9.824 4.597 1.00 0.00 C ATOM 1068 CD GLU A 74 76.369 -10.037 6.109 1.00 0.00 C ATOM 1069 OE1 GLU A 74 76.295 -11.178 6.528 1.00 0.00 O ATOM 1070 OE2 GLU A 74 76.383 -9.052 6.826 1.00 0.00 O1- ATOM 0 H GLU A 74 77.483 -13.628 3.568 1.00 0.00 H new ATOM 0 HA GLU A 74 78.671 -10.929 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 74 76.260 -11.065 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 74 75.967 -11.918 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 74 77.310 -9.185 4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 74 75.566 -9.305 4.245 1.00 0.00 H new ATOM 1077 N TYR A 75 79.455 -10.711 5.634 1.00 0.00 N ATOM 1078 CA TYR A 75 80.035 -10.616 6.973 1.00 0.00 C ATOM 1079 C TYR A 75 79.667 -9.292 7.618 1.00 0.00 C ATOM 1080 O TYR A 75 78.970 -8.471 7.022 1.00 0.00 O ATOM 1081 CB TYR A 75 81.554 -10.737 6.902 1.00 0.00 C ATOM 1082 CG TYR A 75 81.919 -11.970 6.122 1.00 0.00 C ATOM 1083 CD1 TYR A 75 81.742 -11.986 4.739 1.00 0.00 C ATOM 1084 CD2 TYR A 75 82.437 -13.092 6.777 1.00 0.00 C ATOM 1085 CE1 TYR A 75 82.079 -13.121 4.007 1.00 0.00 C ATOM 1086 CE2 TYR A 75 82.776 -14.231 6.041 1.00 0.00 C ATOM 1087 CZ TYR A 75 82.597 -14.246 4.655 1.00 0.00 C ATOM 1088 OH TYR A 75 82.936 -15.370 3.928 1.00 0.00 O ATOM 0 H TYR A 75 79.779 -9.996 4.983 1.00 0.00 H new ATOM 0 HA TYR A 75 79.635 -11.432 7.575 1.00 0.00 H new ATOM 0 HB2 TYR A 75 81.979 -9.853 6.426 1.00 0.00 H new ATOM 0 HB3 TYR A 75 81.973 -10.791 7.907 1.00 0.00 H new ATOM 0 HD1 TYR A 75 81.343 -11.118 4.236 1.00 0.00 H new ATOM 0 HD2 TYR A 75 82.575 -13.078 7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 75 81.940 -13.132 2.936 1.00 0.00 H new ATOM 0 HE2 TYR A 75 83.176 -15.099 6.543 1.00 0.00 H new ATOM 0 HH TYR A 75 83.122 -15.116 3.000 1.00 0.00 H new ATOM 1098 N ALA A 76 80.110 -9.108 8.851 1.00 0.00 N ATOM 1099 CA ALA A 76 79.801 -7.895 9.606 1.00 0.00 C ATOM 1100 C ALA A 76 81.063 -7.075 9.889 1.00 0.00 C ATOM 1101 O ALA A 76 82.181 -7.570 9.756 1.00 0.00 O ATOM 1102 CB ALA A 76 79.140 -8.326 10.925 1.00 0.00 C ATOM 0 H ALA A 76 80.686 -9.782 9.355 1.00 0.00 H new ATOM 0 HA ALA A 76 79.132 -7.260 9.025 1.00 0.00 H new ATOM 0 HB1 ALA A 76 78.895 -7.443 11.515 1.00 0.00 H new ATOM 0 HB2 ALA A 76 78.228 -8.883 10.710 1.00 0.00 H new ATOM 0 HB3 ALA A 76 79.827 -8.959 11.487 1.00 0.00 H new ATOM 1108 N PRO A 77 80.895 -5.837 10.296 1.00 0.00 N ATOM 1109 CA PRO A 77 82.040 -4.937 10.632 1.00 0.00 C ATOM 1110 C PRO A 77 82.890 -5.512 11.776 1.00 0.00 C ATOM 1111 O PRO A 77 82.357 -5.978 12.781 1.00 0.00 O ATOM 1112 CB PRO A 77 81.363 -3.611 11.038 1.00 0.00 C ATOM 1113 CG PRO A 77 79.951 -3.974 11.372 1.00 0.00 C ATOM 1114 CD PRO A 77 79.600 -5.153 10.472 1.00 0.00 C ATOM 0 HA PRO A 77 82.733 -4.813 9.800 1.00 0.00 H new ATOM 0 HB2 PRO A 77 81.865 -3.159 11.893 1.00 0.00 H new ATOM 0 HB3 PRO A 77 81.401 -2.885 10.226 1.00 0.00 H new ATOM 0 HG2 PRO A 77 79.855 -4.243 12.424 1.00 0.00 H new ATOM 0 HG3 PRO A 77 79.279 -3.134 11.195 1.00 0.00 H new ATOM 0 HD2 PRO A 77 78.859 -5.806 10.933 1.00 0.00 H new ATOM 0 HD3 PRO A 77 79.185 -4.823 9.519 1.00 0.00 H new ATOM 1122 N GLY A 78 84.211 -5.476 11.608 1.00 0.00 N ATOM 1123 CA GLY A 78 85.117 -5.998 12.629 1.00 0.00 C ATOM 1124 C GLY A 78 85.253 -7.516 12.526 1.00 0.00 C ATOM 1125 O GLY A 78 86.013 -8.136 13.266 1.00 0.00 O ATOM 0 H GLY A 78 84.674 -5.095 10.783 1.00 0.00 H new ATOM 0 HA2 GLY A 78 86.097 -5.535 12.520 1.00 0.00 H new ATOM 0 HA3 GLY A 78 84.746 -5.730 13.618 1.00 0.00 H new ATOM 1129 N GLU A 79 84.507 -8.105 11.601 1.00 0.00 N ATOM 1130 CA GLU A 79 84.549 -9.547 11.401 1.00 0.00 C ATOM 1131 C GLU A 79 85.790 -9.904 10.602 1.00 0.00 C ATOM 1132 O GLU A 79 86.119 -9.231 9.627 1.00 0.00 O ATOM 1133 CB GLU A 79 83.295 -10.001 10.644 1.00 0.00 C ATOM 1134 CG GLU A 79 83.114 -11.510 10.797 1.00 0.00 C ATOM 1135 CD GLU A 79 82.700 -11.843 12.226 1.00 0.00 C ATOM 1136 OE1 GLU A 79 82.464 -10.915 12.983 1.00 0.00 O ATOM 1137 OE2 GLU A 79 82.622 -13.018 12.541 1.00 0.00 O1- ATOM 0 H GLU A 79 83.868 -7.609 10.980 1.00 0.00 H new ATOM 0 HA GLU A 79 84.581 -10.050 12.368 1.00 0.00 H new ATOM 0 HB2 GLU A 79 82.418 -9.480 11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 79 83.382 -9.741 9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 79 82.358 -11.867 10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 79 84.043 -12.023 10.550 1.00 0.00 H new ATOM 1144 N THR A 80 86.505 -10.940 11.051 1.00 0.00 N ATOM 1145 CA THR A 80 87.756 -11.362 10.411 1.00 0.00 C ATOM 1146 C THR A 80 87.566 -12.615 9.588 1.00 0.00 C ATOM 1147 O THR A 80 86.726 -13.464 9.883 1.00 0.00 O ATOM 1148 CB THR A 80 88.811 -11.655 11.492 1.00 0.00 C ATOM 1149 OG1 THR A 80 88.922 -13.058 11.697 1.00 0.00 O ATOM 1150 CG2 THR A 80 88.413 -11.009 12.822 1.00 0.00 C ATOM 0 H THR A 80 86.238 -11.504 11.858 1.00 0.00 H new ATOM 0 HA THR A 80 88.079 -10.554 9.755 1.00 0.00 H new ATOM 0 HB THR A 80 89.762 -11.245 11.152 1.00 0.00 H new ATOM 0 HG1 THR A 80 89.597 -13.236 12.385 1.00 0.00 H new ATOM 0 HG21 THR A 80 89.171 -11.227 13.574 1.00 0.00 H new ATOM 0 HG22 THR A 80 88.331 -9.930 12.692 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.453 -11.409 13.148 1.00 0.00 H new ATOM 1158 N VAL A 81 88.387 -12.727 8.558 1.00 0.00 N ATOM 1159 CA VAL A 81 88.340 -13.892 7.689 1.00 0.00 C ATOM 1160 C VAL A 81 89.732 -14.221 7.208 1.00 0.00 C ATOM 1161 O VAL A 81 90.583 -13.336 7.114 1.00 0.00 O ATOM 1162 CB VAL A 81 87.431 -13.636 6.485 1.00 0.00 C ATOM 1163 CG1 VAL A 81 86.021 -13.346 6.990 1.00 0.00 C ATOM 1164 CG2 VAL A 81 87.937 -12.433 5.688 1.00 0.00 C ATOM 0 H VAL A 81 89.089 -12.032 8.304 1.00 0.00 H new ATOM 0 HA VAL A 81 87.937 -14.731 8.257 1.00 0.00 H new ATOM 0 HB VAL A 81 87.430 -14.513 5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 81 85.362 -13.161 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 81 85.654 -14.202 7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 81 86.039 -12.467 7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 81 87.282 -12.261 4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 81 87.941 -11.549 6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 81 88.949 -12.630 5.335 1.00 0.00 H new ATOM 1174 N LYS A 82 89.989 -15.499 6.913 1.00 0.00 N ATOM 1175 CA LYS A 82 91.301 -15.913 6.461 1.00 0.00 C ATOM 1176 C LYS A 82 91.322 -16.066 4.945 1.00 0.00 C ATOM 1177 O LYS A 82 90.448 -16.710 4.364 1.00 0.00 O ATOM 1178 CB LYS A 82 91.654 -17.256 7.119 1.00 0.00 C ATOM 1179 CG LYS A 82 93.179 -17.463 7.115 1.00 0.00 C ATOM 1180 CD LYS A 82 93.789 -16.824 8.365 1.00 0.00 C ATOM 1181 CE LYS A 82 95.310 -16.957 8.322 1.00 0.00 C ATOM 1182 NZ LYS A 82 95.898 -16.285 9.516 1.00 0.00 N1+ ATOM 0 H LYS A 82 89.305 -16.252 6.981 1.00 0.00 H new ATOM 0 HA LYS A 82 92.031 -15.154 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.279 -17.278 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.167 -18.071 6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.411 -18.528 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 82 93.614 -17.020 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.508 -15.772 8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.397 -17.307 9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 82 95.594 -18.009 8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 82 95.700 -16.508 7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 96.934 -16.374 9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 95.637 -15.278 9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 95.534 -16.733 10.381 1.00 0.00 H new ATOM 1196 N ILE A 83 92.336 -15.487 4.310 1.00 0.00 N ATOM 1197 CA ILE A 83 92.476 -15.578 2.853 1.00 0.00 C ATOM 1198 C ILE A 83 93.890 -16.024 2.495 1.00 0.00 C ATOM 1199 O ILE A 83 94.864 -15.353 2.832 1.00 0.00 O ATOM 1200 CB ILE A 83 92.183 -14.217 2.218 1.00 0.00 C ATOM 1201 CG1 ILE A 83 90.774 -13.773 2.619 1.00 0.00 C ATOM 1202 CG2 ILE A 83 92.258 -14.338 0.694 1.00 0.00 C ATOM 1203 CD1 ILE A 83 90.536 -12.328 2.172 1.00 0.00 C ATOM 0 H ILE A 83 93.071 -14.952 4.774 1.00 0.00 H new ATOM 0 HA ILE A 83 91.765 -16.310 2.471 1.00 0.00 H new ATOM 0 HB ILE A 83 92.915 -13.486 2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 83 90.033 -14.430 2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 83 90.651 -13.854 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 83 92.049 -13.369 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 83 93.256 -14.667 0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 83 91.522 -15.065 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 83 89.531 -12.019 2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 83 91.268 -11.675 2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 83 90.639 -12.260 1.089 1.00 0.00 H new ATOM 1215 N GLY A 84 93.998 -17.165 1.820 1.00 0.00 N ATOM 1216 CA GLY A 84 95.306 -17.686 1.437 1.00 0.00 C ATOM 1217 C GLY A 84 96.228 -17.756 2.651 1.00 0.00 C ATOM 1218 O GLY A 84 96.022 -18.571 3.550 1.00 0.00 O ATOM 0 H GLY A 84 93.207 -17.740 1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 84 95.195 -18.678 0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 84 95.749 -17.048 0.672 1.00 0.00 H new ATOM 1222 N CYS A 85 97.246 -16.894 2.671 1.00 0.00 N ATOM 1223 CA CYS A 85 98.208 -16.854 3.781 1.00 0.00 C ATOM 1224 C CYS A 85 98.029 -15.574 4.600 1.00 0.00 C ATOM 1225 O CYS A 85 98.791 -15.302 5.527 1.00 0.00 O ATOM 1226 CB CYS A 85 99.640 -16.936 3.225 1.00 0.00 C ATOM 1227 SG CYS A 85 100.242 -15.280 2.784 1.00 0.00 S ATOM 0 H CYS A 85 97.428 -16.214 1.933 1.00 0.00 H new ATOM 0 HA CYS A 85 98.029 -17.706 4.437 1.00 0.00 H new ATOM 0 HB2 CYS A 85 100.300 -17.384 3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 85 99.660 -17.583 2.348 1.00 0.00 H new ATOM 1232 N ASN A 86 97.018 -14.791 4.236 1.00 0.00 N ATOM 1233 CA ASN A 86 96.721 -13.529 4.916 1.00 0.00 C ATOM 1234 C ASN A 86 95.264 -13.505 5.377 1.00 0.00 C ATOM 1235 O ASN A 86 94.399 -14.179 4.823 1.00 0.00 O ATOM 1236 CB ASN A 86 97.001 -12.354 3.971 1.00 0.00 C ATOM 1237 CG ASN A 86 96.548 -12.707 2.560 1.00 0.00 C ATOM 1238 OD1 ASN A 86 95.380 -13.037 2.345 1.00 0.00 O ATOM 1239 ND2 ASN A 86 97.412 -12.665 1.585 1.00 0.00 N ATOM 0 H ASN A 86 96.384 -15.009 3.467 1.00 0.00 H new ATOM 0 HA ASN A 86 97.361 -13.439 5.794 1.00 0.00 H new ATOM 0 HB2 ASN A 86 96.478 -11.463 4.319 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.065 -12.119 3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 86 97.123 -12.906 0.637 1.00 0.00 H new ATOM 0 HD22 ASN A 86 98.377 -12.391 1.770 1.00 0.00 H new ATOM 1246 N THR A 87 95.024 -12.691 6.395 1.00 0.00 N ATOM 1247 CA THR A 87 93.687 -12.515 6.977 1.00 0.00 C ATOM 1248 C THR A 87 93.206 -11.111 6.757 1.00 0.00 C ATOM 1249 O THR A 87 94.000 -10.188 6.623 1.00 0.00 O ATOM 1250 CB THR A 87 93.696 -12.837 8.473 1.00 0.00 C ATOM 1251 OG1 THR A 87 92.390 -13.226 8.881 1.00 0.00 O ATOM 1252 CG2 THR A 87 94.139 -11.625 9.297 1.00 0.00 C ATOM 0 H THR A 87 95.747 -12.130 6.846 1.00 0.00 H new ATOM 0 HA THR A 87 93.007 -13.207 6.480 1.00 0.00 H new ATOM 0 HB THR A 87 94.403 -13.649 8.643 1.00 0.00 H new ATOM 0 HG1 THR A 87 91.740 -12.957 8.198 1.00 0.00 H new ATOM 0 HG21 THR A 87 94.136 -11.884 10.356 1.00 0.00 H new ATOM 0 HG22 THR A 87 95.145 -11.330 8.999 1.00 0.00 H new ATOM 0 HG23 THR A 87 93.452 -10.797 9.124 1.00 0.00 H new ATOM 1260 N CYS A 88 91.884 -10.973 6.696 1.00 0.00 N ATOM 1261 CA CYS A 88 91.276 -9.672 6.449 1.00 0.00 C ATOM 1262 C CYS A 88 90.133 -9.408 7.412 1.00 0.00 C ATOM 1263 O CYS A 88 89.547 -10.336 7.961 1.00 0.00 O ATOM 1264 CB CYS A 88 90.786 -9.608 4.978 1.00 0.00 C ATOM 1265 SG CYS A 88 91.490 -8.169 4.137 1.00 0.00 S ATOM 0 H CYS A 88 91.220 -11.739 6.813 1.00 0.00 H new ATOM 0 HA CYS A 88 92.023 -8.895 6.614 1.00 0.00 H new ATOM 0 HB2 CYS A 88 91.072 -10.519 4.453 1.00 0.00 H new ATOM 0 HB3 CYS A 88 89.698 -9.555 4.953 1.00 0.00 H new ATOM 1270 N VAL A 89 89.827 -8.128 7.606 1.00 0.00 N ATOM 1271 CA VAL A 89 88.749 -7.738 8.511 1.00 0.00 C ATOM 1272 C VAL A 89 87.933 -6.599 7.912 1.00 0.00 C ATOM 1273 O VAL A 89 88.473 -5.711 7.255 1.00 0.00 O ATOM 1274 CB VAL A 89 89.335 -7.295 9.874 1.00 0.00 C ATOM 1275 CG1 VAL A 89 89.715 -5.810 9.842 1.00 0.00 C ATOM 1276 CG2 VAL A 89 88.319 -7.517 10.991 1.00 0.00 C ATOM 0 H VAL A 89 90.305 -7.349 7.153 1.00 0.00 H new ATOM 0 HA VAL A 89 88.097 -8.599 8.660 1.00 0.00 H new ATOM 0 HB VAL A 89 90.225 -7.895 10.063 1.00 0.00 H new ATOM 0 HG11 VAL A 89 90.125 -5.518 10.809 1.00 0.00 H new ATOM 0 HG12 VAL A 89 90.462 -5.642 9.066 1.00 0.00 H new ATOM 0 HG13 VAL A 89 88.829 -5.212 9.628 1.00 0.00 H new ATOM 0 HG21 VAL A 89 88.748 -7.200 11.941 1.00 0.00 H new ATOM 0 HG22 VAL A 89 87.420 -6.935 10.787 1.00 0.00 H new ATOM 0 HG23 VAL A 89 88.062 -8.575 11.044 1.00 0.00 H new ATOM 1286 N CYS A 90 86.638 -6.624 8.174 1.00 0.00 N ATOM 1287 CA CYS A 90 85.736 -5.589 7.692 1.00 0.00 C ATOM 1288 C CYS A 90 85.996 -4.276 8.404 1.00 0.00 C ATOM 1289 O CYS A 90 85.656 -4.111 9.575 1.00 0.00 O ATOM 1290 CB CYS A 90 84.305 -6.005 7.987 1.00 0.00 C ATOM 1291 SG CYS A 90 83.890 -7.499 7.080 1.00 0.00 S ATOM 0 H CYS A 90 86.184 -7.355 8.722 1.00 0.00 H new ATOM 0 HA CYS A 90 85.898 -5.461 6.622 1.00 0.00 H new ATOM 0 HB2 CYS A 90 84.182 -6.175 9.057 1.00 0.00 H new ATOM 0 HB3 CYS A 90 83.621 -5.202 7.711 1.00 0.00 H new ATOM 1296 N ARG A 91 86.587 -3.336 7.686 1.00 0.00 N ATOM 1297 CA ARG A 91 86.878 -2.025 8.238 1.00 0.00 C ATOM 1298 C ARG A 91 86.583 -0.974 7.189 1.00 0.00 C ATOM 1299 O ARG A 91 87.148 -1.008 6.096 1.00 0.00 O ATOM 1300 CB ARG A 91 88.357 -1.943 8.638 1.00 0.00 C ATOM 1301 CG ARG A 91 88.583 -0.723 9.529 1.00 0.00 C ATOM 1302 CD ARG A 91 90.039 -0.702 9.994 1.00 0.00 C ATOM 1303 NE ARG A 91 90.931 -0.493 8.858 1.00 0.00 N ATOM 1304 CZ ARG A 91 91.232 0.731 8.430 1.00 0.00 C ATOM 1305 NH1 ARG A 91 90.726 1.776 9.025 1.00 0.00 N ATOM 1306 NH2 ARG A 91 92.036 0.886 7.413 1.00 0.00 N1+ ATOM 0 H ARG A 91 86.876 -3.458 6.715 1.00 0.00 H new ATOM 0 HA ARG A 91 86.260 -1.856 9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 91 88.652 -2.850 9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 91 88.981 -1.875 7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 91 88.351 0.190 8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 91 87.915 -0.757 10.389 1.00 0.00 H new ATOM 0 HD2 ARG A 91 90.182 0.091 10.728 1.00 0.00 H new ATOM 0 HD3 ARG A 91 90.283 -1.642 10.489 1.00 0.00 H new ATOM 0 HE ARG A 91 91.332 -1.301 8.382 1.00 0.00 H new ATOM 0 HH11 ARG A 91 90.098 1.656 9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 91 90.958 2.713 8.695 1.00 0.00 H new ATOM 0 HH21 ARG A 91 92.433 0.070 6.947 1.00 0.00 H new ATOM 0 HH22 ARG A 91 92.267 1.823 7.084 1.00 0.00 H new ATOM 1320 N ASP A 92 85.674 -0.062 7.518 1.00 0.00 N ATOM 1321 CA ASP A 92 85.275 0.996 6.595 1.00 0.00 C ATOM 1322 C ASP A 92 84.649 0.403 5.347 1.00 0.00 C ATOM 1323 O ASP A 92 85.031 0.738 4.226 1.00 0.00 O ATOM 1324 CB ASP A 92 86.469 1.885 6.217 1.00 0.00 C ATOM 1325 CG ASP A 92 86.898 2.732 7.409 1.00 0.00 C ATOM 1326 OD1 ASP A 92 86.122 2.845 8.342 1.00 0.00 O ATOM 1327 OD2 ASP A 92 88.000 3.251 7.370 1.00 0.00 O1- ATOM 0 H ASP A 92 85.198 -0.034 8.420 1.00 0.00 H new ATOM 0 HA ASP A 92 84.536 1.618 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 92 87.302 1.265 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 92 86.200 2.531 5.382 1.00 0.00 H new ATOM 1332 N ARG A 93 83.663 -0.472 5.554 1.00 0.00 N ATOM 1333 CA ARG A 93 82.962 -1.101 4.435 1.00 0.00 C ATOM 1334 C ARG A 93 83.939 -1.807 3.507 1.00 0.00 C ATOM 1335 O ARG A 93 83.568 -2.232 2.414 1.00 0.00 O ATOM 1336 CB ARG A 93 82.195 -0.038 3.644 1.00 0.00 C ATOM 1337 CG ARG A 93 81.011 0.469 4.466 1.00 0.00 C ATOM 1338 CD ARG A 93 80.382 1.671 3.758 1.00 0.00 C ATOM 1339 NE ARG A 93 80.259 1.407 2.321 1.00 0.00 N ATOM 1340 CZ ARG A 93 80.401 2.375 1.413 1.00 0.00 C ATOM 1341 NH1 ARG A 93 80.640 3.603 1.786 1.00 0.00 N ATOM 1342 NH2 ARG A 93 80.297 2.093 0.143 1.00 0.00 N1+ ATOM 0 H ARG A 93 83.335 -0.758 6.476 1.00 0.00 H new ATOM 0 HA ARG A 93 82.269 -1.839 4.839 1.00 0.00 H new ATOM 0 HB2 ARG A 93 82.858 0.791 3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 93 81.842 -0.458 2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 93 80.272 -0.323 4.588 1.00 0.00 H new ATOM 0 HG3 ARG A 93 81.342 0.753 5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 93 79.400 1.878 4.182 1.00 0.00 H new ATOM 0 HD3 ARG A 93 80.993 2.559 3.921 1.00 0.00 H new ATOM 0 HE ARG A 93 80.059 0.457 2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 93 80.720 3.828 2.778 1.00 0.00 H new ATOM 0 HH12 ARG A 93 80.747 4.337 1.086 1.00 0.00 H new ATOM 0 HH21 ARG A 93 80.108 1.135 -0.153 1.00 0.00 H new ATOM 0 HH22 ARG A 93 80.405 2.830 -0.554 1.00 0.00 H new ATOM 1356 N LYS A 94 85.191 -1.924 3.935 1.00 0.00 N ATOM 1357 CA LYS A 94 86.217 -2.571 3.119 1.00 0.00 C ATOM 1358 C LYS A 94 86.997 -3.551 3.972 1.00 0.00 C ATOM 1359 O LYS A 94 87.053 -3.411 5.192 1.00 0.00 O ATOM 1360 CB LYS A 94 87.165 -1.509 2.558 1.00 0.00 C ATOM 1361 CG LYS A 94 86.415 -0.544 1.626 1.00 0.00 C ATOM 1362 CD LYS A 94 86.141 -1.211 0.272 1.00 0.00 C ATOM 1363 CE LYS A 94 85.456 -0.212 -0.658 1.00 0.00 C ATOM 1364 NZ LYS A 94 85.221 -0.860 -1.980 1.00 0.00 N1+ ATOM 0 H LYS A 94 85.521 -1.582 4.837 1.00 0.00 H new ATOM 0 HA LYS A 94 85.745 -3.106 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 94 87.619 -0.951 3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 94 87.976 -1.991 2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 94 85.474 -0.242 2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 94 87.004 0.361 1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 94 87.075 -1.555 -0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 94 85.510 -2.089 0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 94 84.510 0.116 -0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 94 86.077 0.676 -0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 84.754 -0.185 -2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 86.131 -1.153 -2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 84.613 -1.695 -1.854 1.00 0.00 H new ATOM 1378 N TRP A 95 87.610 -4.543 3.327 1.00 0.00 N ATOM 1379 CA TRP A 95 88.389 -5.546 4.031 1.00 0.00 C ATOM 1380 C TRP A 95 89.827 -5.070 4.187 1.00 0.00 C ATOM 1381 O TRP A 95 90.444 -4.603 3.230 1.00 0.00 O ATOM 1382 CB TRP A 95 88.338 -6.843 3.242 1.00 0.00 C ATOM 1383 CG TRP A 95 86.986 -7.458 3.353 1.00 0.00 C ATOM 1384 CD1 TRP A 95 86.008 -7.357 2.429 1.00 0.00 C ATOM 1385 CD2 TRP A 95 86.465 -8.297 4.423 1.00 0.00 C ATOM 1386 NE1 TRP A 95 84.915 -8.088 2.858 1.00 0.00 N ATOM 1387 CE2 TRP A 95 85.152 -8.694 4.077 1.00 0.00 C ATOM 1388 CE3 TRP A 95 87.000 -8.758 5.645 1.00 0.00 C ATOM 1389 CZ2 TRP A 95 84.399 -9.521 4.907 1.00 0.00 C ATOM 1390 CZ3 TRP A 95 86.243 -9.590 6.484 1.00 0.00 C ATOM 1391 CH2 TRP A 95 84.949 -9.980 6.113 1.00 0.00 C ATOM 0 H TRP A 95 87.578 -4.669 2.315 1.00 0.00 H new ATOM 0 HA TRP A 95 87.976 -5.711 5.026 1.00 0.00 H new ATOM 0 HB2 TRP A 95 88.573 -6.650 2.195 1.00 0.00 H new ATOM 0 HB3 TRP A 95 89.092 -7.535 3.616 1.00 0.00 H new ATOM 0 HD1 TRP A 95 86.069 -6.798 1.507 1.00 0.00 H new ATOM 0 HE1 TRP A 95 84.041 -8.170 2.338 1.00 0.00 H new ATOM 0 HE3 TRP A 95 87.999 -8.468 5.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 83.397 -9.807 4.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 86.660 -9.931 7.420 1.00 0.00 H new ATOM 0 HH2 TRP A 95 84.376 -10.633 6.755 1.00 0.00 H new ATOM 1402 N ASN A 96 90.362 -5.202 5.400 1.00 0.00 N ATOM 1403 CA ASN A 96 91.741 -4.788 5.673 1.00 0.00 C ATOM 1404 C ASN A 96 92.619 -6.024 5.826 1.00 0.00 C ATOM 1405 O ASN A 96 92.585 -6.685 6.863 1.00 0.00 O ATOM 1406 CB ASN A 96 91.799 -3.943 6.958 1.00 0.00 C ATOM 1407 CG ASN A 96 93.014 -3.022 6.929 1.00 0.00 C ATOM 1408 OD1 ASN A 96 94.121 -3.442 7.260 1.00 0.00 O ATOM 1409 ND2 ASN A 96 92.865 -1.784 6.552 1.00 0.00 N ATOM 0 H ASN A 96 89.868 -5.589 6.204 1.00 0.00 H new ATOM 0 HA ASN A 96 92.104 -4.184 4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 96 90.888 -3.352 7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 96 91.849 -4.596 7.829 1.00 0.00 H new ATOM 0 HD21 ASN A 96 93.669 -1.157 6.530 1.00 0.00 H new ATOM 0 HD22 ASN A 96 91.944 -1.441 6.279 1.00 0.00 H new ATOM 1416 N CYS A 97 93.384 -6.342 4.785 1.00 0.00 N ATOM 1417 CA CYS A 97 94.251 -7.523 4.806 1.00 0.00 C ATOM 1418 C CYS A 97 95.609 -7.206 5.387 1.00 0.00 C ATOM 1419 O CYS A 97 96.233 -6.200 5.043 1.00 0.00 O ATOM 1420 CB CYS A 97 94.410 -8.074 3.385 1.00 0.00 C ATOM 1421 SG CYS A 97 92.889 -8.923 2.893 1.00 0.00 S ATOM 0 H CYS A 97 93.423 -5.804 3.920 1.00 0.00 H new ATOM 0 HA CYS A 97 93.781 -8.273 5.443 1.00 0.00 H new ATOM 0 HB2 CYS A 97 94.627 -7.262 2.691 1.00 0.00 H new ATOM 0 HB3 CYS A 97 95.254 -8.763 3.343 1.00 0.00 H new ATOM 1426 N THR A 98 96.069 -8.090 6.269 1.00 0.00 N ATOM 1427 CA THR A 98 97.371 -7.921 6.904 1.00 0.00 C ATOM 1428 C THR A 98 98.464 -7.909 5.870 1.00 0.00 C ATOM 1429 O THR A 98 99.289 -7.001 5.811 1.00 0.00 O ATOM 1430 CB THR A 98 97.605 -9.065 7.885 1.00 0.00 C ATOM 1431 OG1 THR A 98 98.848 -8.881 8.547 1.00 0.00 O ATOM 1432 CG2 THR A 98 97.599 -10.421 7.171 1.00 0.00 C ATOM 0 H THR A 98 95.562 -8.926 6.558 1.00 0.00 H new ATOM 0 HA THR A 98 97.385 -6.970 7.436 1.00 0.00 H new ATOM 0 HB THR A 98 96.793 -9.059 8.612 1.00 0.00 H new ATOM 0 HG1 THR A 98 98.995 -9.617 9.178 1.00 0.00 H new ATOM 0 HG21 THR A 98 97.768 -11.216 7.898 1.00 0.00 H new ATOM 0 HG22 THR A 98 96.635 -10.572 6.686 1.00 0.00 H new ATOM 0 HG23 THR A 98 98.390 -10.441 6.421 1.00 0.00 H new ATOM 1440 N ASP A 99 98.432 -8.931 5.065 1.00 0.00 N ATOM 1441 CA ASP A 99 99.398 -9.116 3.981 1.00 0.00 C ATOM 1442 C ASP A 99 100.736 -9.625 4.518 1.00 0.00 C ATOM 1443 O ASP A 99 101.680 -9.840 3.759 1.00 0.00 O ATOM 1444 CB ASP A 99 99.584 -7.784 3.205 1.00 0.00 C ATOM 1445 CG ASP A 99 100.806 -6.999 3.701 1.00 0.00 C ATOM 1446 OD1 ASP A 99 101.910 -7.500 3.557 1.00 0.00 O ATOM 1447 OD2 ASP A 99 100.616 -5.911 4.218 1.00 0.00 O1- ATOM 0 H ASP A 99 97.736 -9.674 5.129 1.00 0.00 H new ATOM 0 HA ASP A 99 99.010 -9.870 3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 99 99.696 -7.996 2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 99 98.689 -7.171 3.316 1.00 0.00 H new ATOM 1452 N HIS A 100 100.811 -9.801 5.827 1.00 0.00 N ATOM 1453 CA HIS A 100 102.037 -10.271 6.460 1.00 0.00 C ATOM 1454 C HIS A 100 102.671 -11.403 5.654 1.00 0.00 C ATOM 1455 O HIS A 100 102.066 -11.930 4.720 1.00 0.00 O ATOM 1456 CB HIS A 100 101.737 -10.742 7.886 1.00 0.00 C ATOM 1457 CG HIS A 100 100.999 -12.056 7.859 1.00 0.00 C ATOM 1458 ND1 HIS A 100 101.463 -13.153 7.152 1.00 0.00 N ATOM 1459 CD2 HIS A 100 99.823 -12.459 8.438 1.00 0.00 C ATOM 1460 CE1 HIS A 100 100.582 -14.149 7.314 1.00 0.00 C ATOM 1461 NE2 HIS A 100 99.559 -13.783 8.090 1.00 0.00 N ATOM 0 H HIS A 100 100.041 -9.627 6.472 1.00 0.00 H new ATOM 0 HA HIS A 100 102.746 -9.444 6.495 1.00 0.00 H new ATOM 0 HB2 HIS A 100 102.667 -10.851 8.443 1.00 0.00 H new ATOM 0 HB3 HIS A 100 101.140 -9.993 8.406 1.00 0.00 H new ATOM 0 HD2 HIS A 100 99.197 -11.844 9.068 1.00 0.00 H new ATOM 0 HE1 HIS A 100 100.686 -15.128 6.871 1.00 0.00 H new ATOM 0 HE2 HIS A 100 98.758 -14.350 8.368 1.00 0.00 H new ATOM 1469 N VAL A 101 103.890 -11.777 6.032 1.00 0.00 N ATOM 1470 CA VAL A 101 104.598 -12.852 5.346 1.00 0.00 C ATOM 1471 C VAL A 101 103.827 -14.156 5.481 1.00 0.00 C ATOM 1472 O VAL A 101 103.371 -14.505 6.568 1.00 0.00 O ATOM 1473 CB VAL A 101 105.987 -13.031 5.952 1.00 0.00 C ATOM 1474 CG1 VAL A 101 106.812 -13.964 5.067 1.00 0.00 C ATOM 1475 CG2 VAL A 101 106.670 -11.672 6.050 1.00 0.00 C ATOM 0 H VAL A 101 104.405 -11.355 6.804 1.00 0.00 H new ATOM 0 HA VAL A 101 104.689 -12.590 4.292 1.00 0.00 H new ATOM 0 HB VAL A 101 105.902 -13.466 6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 101 107.804 -14.092 5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 101 106.318 -14.933 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 101 106.904 -13.533 4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 101 107.663 -11.794 6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 101 106.759 -11.237 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 101 106.077 -11.012 6.683 1.00 0.00 H new ATOM 1485 N CYS A 102 103.680 -14.869 4.369 1.00 0.00 N ATOM 1486 CA CYS A 102 102.953 -16.129 4.382 1.00 0.00 C ATOM 1487 C CYS A 102 103.618 -17.128 5.321 1.00 0.00 C ATOM 1488 O CYS A 102 104.263 -18.079 4.880 1.00 0.00 O ATOM 1489 CB CYS A 102 102.895 -16.726 2.976 1.00 0.00 C ATOM 1490 SG CYS A 102 102.007 -15.609 1.860 1.00 0.00 S ATOM 0 H CYS A 102 104.051 -14.598 3.458 1.00 0.00 H new ATOM 0 HA CYS A 102 101.941 -15.926 4.734 1.00 0.00 H new ATOM 0 HB2 CYS A 102 103.905 -16.897 2.604 1.00 0.00 H new ATOM 0 HB3 CYS A 102 102.397 -17.695 3.005 1.00 0.00 H new ATOM 1495 N ASP A 103 103.451 -16.903 6.617 1.00 0.00 N ATOM 1496 CA ASP A 103 104.037 -17.788 7.619 1.00 0.00 C ATOM 1497 C ASP A 103 105.487 -18.106 7.268 1.00 0.00 C ATOM 1498 O ASP A 103 105.816 -19.279 7.195 1.00 0.00 O ATOM 1499 CB ASP A 103 103.235 -19.089 7.704 1.00 0.00 C ATOM 1500 CG ASP A 103 103.810 -19.984 8.798 1.00 0.00 C ATOM 1501 OD1 ASP A 103 104.852 -19.640 9.330 1.00 0.00 O ATOM 1502 OD2 ASP A 103 103.199 -21.000 9.087 1.00 0.00 O1- ATOM 1503 OXT ASP A 103 106.247 -17.171 7.075 1.00 0.00 O ATOM 0 H ASP A 103 102.919 -16.121 6.999 1.00 0.00 H new ATOM 0 HA ASP A 103 104.009 -17.281 8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 103 102.189 -18.868 7.915 1.00 0.00 H new ATOM 0 HB3 ASP A 103 103.264 -19.607 6.746 1.00 0.00 H new TER 1508 ASP A 103