USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=17 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 98 THR OG1 : rot 120:sc= -3.47! USER MOD Set 1.2: A 100 HIS : no HD1:sc= -4.94! C(o=-8.4!,f=-3.2!) USER MOD Set 2.1: A 30 THR OG1 : rot -160:sc= -0.978 USER MOD Set 2.2: A 32 GLN : amide:sc= -0.518 K(o=-1.5,f=-0.99) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 149:sc= -2.45 (180deg=-4.65!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -7.7! C(o=-7.7!,f=-5.5!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.118! USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= -1.08! (180deg=-1.46!) USER MOD Single : A 33 ASN : amide:sc= -0.664 K(o=-0.66,f=-5.2!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 120:sc= 1.27 USER MOD Single : A 41 MET CE :methyl -166:sc= 0 (180deg=-0.34) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -169:sc= -1.19 (180deg=-2.26) USER MOD Single : A 56 HIS : no HD1:sc= -3.84 K(o=-3.8,f=-2.9) USER MOD Single : A 58 ASN : amide:sc= -4.43! C(o=-4.4!,f=-8.1!) USER MOD Single : A 70 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-8!) USER MOD Single : A 71 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.4) USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= -0.0111 (180deg=-0.345) USER MOD Single : A 75 TYR OH : rot 7:sc= -0.4 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= 0.894 (180deg=-0.62!) USER MOD Single : A 86 ASN : amide:sc= -7.54! C(o=-7.5!,f=-16!) USER MOD Single : A 87 THR OG1 : rot -3:sc= 0.734 USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= -0.0247 (180deg=-0.31) USER MOD Single : A 96 ASN : amide:sc= -1.8! K(o=-1.8!,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 52.127 10.197 -2.133 1.00 0.00 N ATOM 2 CA GLY A 1 53.298 10.700 -2.907 1.00 0.00 C ATOM 3 C GLY A 1 53.947 9.544 -3.659 1.00 0.00 C ATOM 4 O GLY A 1 53.887 9.478 -4.887 1.00 0.00 O ATOM 0 H1 GLY A 1 51.685 10.986 -1.620 1.00 0.00 H new ATOM 0 H2 GLY A 1 51.435 9.777 -2.785 1.00 0.00 H new ATOM 0 H3 GLY A 1 52.444 9.477 -1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 52.979 11.471 -3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 1 54.021 11.161 -2.234 1.00 0.00 H new ATOM 10 N ALA A 2 54.566 8.634 -2.914 1.00 0.00 N ATOM 11 CA ALA A 2 55.223 7.481 -3.521 1.00 0.00 C ATOM 12 C ALA A 2 54.191 6.540 -4.136 1.00 0.00 C ATOM 13 O ALA A 2 53.102 6.358 -3.591 1.00 0.00 O ATOM 14 CB ALA A 2 56.038 6.731 -2.468 1.00 0.00 C ATOM 0 H ALA A 2 54.627 8.671 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 2 55.888 7.837 -4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 2 56.525 5.872 -2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 2 56.794 7.396 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 2 55.377 6.389 -1.672 1.00 0.00 H new ATOM 20 N MET A 3 54.540 5.945 -5.276 1.00 0.00 N ATOM 21 CA MET A 3 53.638 5.021 -5.964 1.00 0.00 C ATOM 22 C MET A 3 53.980 3.578 -5.605 1.00 0.00 C ATOM 23 O MET A 3 55.107 3.127 -5.814 1.00 0.00 O ATOM 24 CB MET A 3 53.760 5.212 -7.480 1.00 0.00 C ATOM 25 CG MET A 3 52.660 4.420 -8.192 1.00 0.00 C ATOM 26 SD MET A 3 51.053 5.198 -7.866 1.00 0.00 S ATOM 27 CE MET A 3 50.728 5.820 -9.537 1.00 0.00 C ATOM 0 H MET A 3 55.437 6.085 -5.741 1.00 0.00 H new ATOM 0 HA MET A 3 52.616 5.232 -5.649 1.00 0.00 H new ATOM 0 HB2 MET A 3 53.679 6.270 -7.730 1.00 0.00 H new ATOM 0 HB3 MET A 3 54.740 4.878 -7.820 1.00 0.00 H new ATOM 0 HG2 MET A 3 52.852 4.392 -9.265 1.00 0.00 H new ATOM 0 HG3 MET A 3 52.655 3.388 -7.842 1.00 0.00 H new ATOM 0 HE1 MET A 3 49.770 6.340 -9.552 1.00 0.00 H new ATOM 0 HE2 MET A 3 51.520 6.510 -9.829 1.00 0.00 H new ATOM 0 HE3 MET A 3 50.698 4.985 -10.237 1.00 0.00 H new ATOM 37 N GLY A 4 53.000 2.860 -5.068 1.00 0.00 N ATOM 38 CA GLY A 4 53.207 1.468 -4.685 1.00 0.00 C ATOM 39 C GLY A 4 54.037 1.368 -3.411 1.00 0.00 C ATOM 40 O GLY A 4 54.508 2.374 -2.882 1.00 0.00 O ATOM 0 H GLY A 4 52.061 3.215 -4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 4 52.243 0.982 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 4 53.709 0.936 -5.493 1.00 0.00 H new ATOM 44 N SER A 5 54.216 0.143 -2.924 1.00 0.00 N ATOM 45 CA SER A 5 54.993 -0.085 -1.713 1.00 0.00 C ATOM 46 C SER A 5 56.479 0.113 -1.985 1.00 0.00 C ATOM 47 O SER A 5 56.969 -0.196 -3.071 1.00 0.00 O ATOM 48 CB SER A 5 54.757 -1.504 -1.199 1.00 0.00 C ATOM 49 OG SER A 5 55.513 -1.703 -0.012 1.00 0.00 O ATOM 0 H SER A 5 53.835 -0.703 -3.348 1.00 0.00 H new ATOM 0 HA SER A 5 54.671 0.634 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 5 53.697 -1.660 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 5 55.049 -2.231 -1.957 1.00 0.00 H new ATOM 0 HG SER A 5 55.363 -2.612 0.323 1.00 0.00 H new ATOM 55 N CYS A 6 57.198 0.627 -0.987 1.00 0.00 N ATOM 56 CA CYS A 6 58.636 0.860 -1.120 1.00 0.00 C ATOM 57 C CYS A 6 59.355 0.509 0.177 1.00 0.00 C ATOM 58 O CYS A 6 60.304 1.186 0.567 1.00 0.00 O ATOM 59 CB CYS A 6 58.903 2.331 -1.462 1.00 0.00 C ATOM 60 SG CYS A 6 58.497 3.368 -0.034 1.00 0.00 S ATOM 0 H CYS A 6 56.810 0.889 -0.081 1.00 0.00 H new ATOM 0 HA CYS A 6 59.012 0.225 -1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 6 59.949 2.467 -1.738 1.00 0.00 H new ATOM 0 HB3 CYS A 6 58.305 2.629 -2.323 1.00 0.00 H new ATOM 65 N ARG A 7 58.904 -0.552 0.846 1.00 0.00 N ATOM 66 CA ARG A 7 59.529 -0.966 2.102 1.00 0.00 C ATOM 67 C ARG A 7 59.471 0.189 3.101 1.00 0.00 C ATOM 68 O ARG A 7 59.314 1.340 2.697 1.00 0.00 O ATOM 69 CB ARG A 7 60.996 -1.380 1.837 1.00 0.00 C ATOM 70 CG ARG A 7 61.078 -2.887 1.583 1.00 0.00 C ATOM 71 CD ARG A 7 62.464 -3.231 1.041 1.00 0.00 C ATOM 72 NE ARG A 7 62.587 -2.778 -0.340 1.00 0.00 N ATOM 73 CZ ARG A 7 62.078 -3.486 -1.342 1.00 0.00 C ATOM 74 NH1 ARG A 7 61.462 -4.610 -1.098 1.00 0.00 N ATOM 75 NH2 ARG A 7 62.196 -3.057 -2.568 1.00 0.00 N1+ ATOM 0 H ARG A 7 58.121 -1.132 0.546 1.00 0.00 H new ATOM 0 HA ARG A 7 58.994 -1.820 2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 7 61.386 -0.836 0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 7 61.618 -1.113 2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 7 60.890 -3.434 2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 7 60.311 -3.190 0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 7 63.231 -2.761 1.656 1.00 0.00 H new ATOM 0 HD3 ARG A 7 62.628 -4.307 1.095 1.00 0.00 H new ATOM 0 HE ARG A 7 63.072 -1.903 -0.540 1.00 0.00 H new ATOM 0 HH11 ARG A 7 61.372 -4.944 -0.139 1.00 0.00 H new ATOM 0 HH12 ARG A 7 61.071 -5.154 -1.867 1.00 0.00 H new ATOM 0 HH21 ARG A 7 62.679 -2.179 -2.757 1.00 0.00 H new ATOM 0 HH22 ARG A 7 61.805 -3.600 -3.338 1.00 0.00 H new ATOM 89 N PRO A 8 59.590 -0.090 4.385 1.00 0.00 N ATOM 90 CA PRO A 8 59.550 0.955 5.443 1.00 0.00 C ATOM 91 C PRO A 8 60.092 2.294 4.921 1.00 0.00 C ATOM 92 O PRO A 8 61.300 2.445 4.742 1.00 0.00 O ATOM 93 CB PRO A 8 60.474 0.364 6.520 1.00 0.00 C ATOM 94 CG PRO A 8 60.373 -1.140 6.365 1.00 0.00 C ATOM 95 CD PRO A 8 59.756 -1.424 4.977 1.00 0.00 C ATOM 0 HA PRO A 8 58.545 1.176 5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 8 61.501 0.704 6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 8 60.164 0.677 7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 8 61.357 -1.601 6.449 1.00 0.00 H new ATOM 0 HG3 PRO A 8 59.754 -1.566 7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 8 60.409 -2.052 4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 8 58.802 -1.945 5.063 1.00 0.00 H new ATOM 103 N PRO A 9 59.234 3.250 4.645 1.00 0.00 N ATOM 104 CA PRO A 9 59.665 4.564 4.104 1.00 0.00 C ATOM 105 C PRO A 9 60.098 5.542 5.186 1.00 0.00 C ATOM 106 O PRO A 9 59.411 5.703 6.196 1.00 0.00 O ATOM 107 CB PRO A 9 58.404 5.063 3.388 1.00 0.00 C ATOM 108 CG PRO A 9 57.267 4.511 4.193 1.00 0.00 C ATOM 109 CD PRO A 9 57.768 3.191 4.809 1.00 0.00 C ATOM 0 HA PRO A 9 60.540 4.476 3.461 1.00 0.00 H new ATOM 0 HB2 PRO A 9 58.373 6.152 3.353 1.00 0.00 H new ATOM 0 HB3 PRO A 9 58.368 4.710 2.357 1.00 0.00 H new ATOM 0 HG2 PRO A 9 56.966 5.213 4.971 1.00 0.00 H new ATOM 0 HG3 PRO A 9 56.394 4.339 3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 9 57.487 3.110 5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 9 57.344 2.327 4.298 1.00 0.00 H new ATOM 117 N MET A 10 61.235 6.210 4.971 1.00 0.00 N ATOM 118 CA MET A 10 61.748 7.186 5.925 1.00 0.00 C ATOM 119 C MET A 10 61.774 8.570 5.276 1.00 0.00 C ATOM 120 O MET A 10 61.342 9.555 5.877 1.00 0.00 O ATOM 121 CB MET A 10 63.166 6.787 6.354 1.00 0.00 C ATOM 122 CG MET A 10 63.103 5.620 7.343 1.00 0.00 C ATOM 123 SD MET A 10 62.545 4.122 6.484 1.00 0.00 S ATOM 124 CE MET A 10 64.053 3.783 5.534 1.00 0.00 C ATOM 0 H MET A 10 61.816 6.089 4.141 1.00 0.00 H new ATOM 0 HA MET A 10 61.101 7.213 6.802 1.00 0.00 H new ATOM 0 HB2 MET A 10 63.753 6.503 5.481 1.00 0.00 H new ATOM 0 HB3 MET A 10 63.669 7.638 6.814 1.00 0.00 H new ATOM 0 HG2 MET A 10 64.085 5.453 7.786 1.00 0.00 H new ATOM 0 HG3 MET A 10 62.421 5.858 8.159 1.00 0.00 H new ATOM 0 HE1 MET A 10 64.157 2.708 5.388 1.00 0.00 H new ATOM 0 HE2 MET A 10 63.991 4.276 4.564 1.00 0.00 H new ATOM 0 HE3 MET A 10 64.919 4.161 6.078 1.00 0.00 H new ATOM 134 N VAL A 11 62.275 8.638 4.034 1.00 0.00 N ATOM 135 CA VAL A 11 62.339 9.908 3.302 1.00 0.00 C ATOM 136 C VAL A 11 61.732 9.731 1.923 1.00 0.00 C ATOM 137 O VAL A 11 62.217 8.930 1.135 1.00 0.00 O ATOM 138 CB VAL A 11 63.797 10.346 3.153 1.00 0.00 C ATOM 139 CG1 VAL A 11 63.872 11.858 2.920 1.00 0.00 C ATOM 140 CG2 VAL A 11 64.553 9.979 4.423 1.00 0.00 C ATOM 0 H VAL A 11 62.638 7.835 3.520 1.00 0.00 H new ATOM 0 HA VAL A 11 61.784 10.666 3.855 1.00 0.00 H new ATOM 0 HB VAL A 11 64.245 9.841 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 11 64.914 12.159 2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 11 63.328 12.113 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 11 63.427 12.379 3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 11 65.594 10.287 4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 11 64.101 10.486 5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 11 64.506 8.901 4.576 1.00 0.00 H new ATOM 150 N LYS A 12 60.688 10.493 1.622 1.00 0.00 N ATOM 151 CA LYS A 12 60.042 10.403 0.319 1.00 0.00 C ATOM 152 C LYS A 12 60.756 11.275 -0.702 1.00 0.00 C ATOM 153 O LYS A 12 61.095 12.427 -0.428 1.00 0.00 O ATOM 154 CB LYS A 12 58.583 10.843 0.436 1.00 0.00 C ATOM 155 CG LYS A 12 57.812 9.842 1.304 1.00 0.00 C ATOM 156 CD LYS A 12 56.329 10.235 1.382 1.00 0.00 C ATOM 157 CE LYS A 12 56.149 11.479 2.262 1.00 0.00 C ATOM 158 NZ LYS A 12 54.705 11.644 2.593 1.00 0.00 N1+ ATOM 0 H LYS A 12 60.273 11.175 2.257 1.00 0.00 H new ATOM 0 HA LYS A 12 60.089 9.367 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 12 58.527 11.839 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 12 58.131 10.905 -0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 12 57.908 8.839 0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 12 58.241 9.813 2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 12 55.946 10.432 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 12 55.748 9.407 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 12 56.734 11.380 3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 12 56.518 12.363 1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 54.580 12.487 3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 54.158 11.757 1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 54.368 10.804 3.105 1.00 0.00 H new ATOM 172 N LEU A 13 60.968 10.713 -1.888 1.00 0.00 N ATOM 173 CA LEU A 13 61.630 11.421 -2.978 1.00 0.00 C ATOM 174 C LEU A 13 60.818 11.259 -4.249 1.00 0.00 C ATOM 175 O LEU A 13 60.386 10.157 -4.575 1.00 0.00 O ATOM 176 CB LEU A 13 63.062 10.875 -3.164 1.00 0.00 C ATOM 177 CG LEU A 13 63.069 9.528 -3.942 1.00 0.00 C ATOM 178 CD1 LEU A 13 63.238 9.773 -5.460 1.00 0.00 C ATOM 179 CD2 LEU A 13 64.220 8.640 -3.443 1.00 0.00 C ATOM 0 H LEU A 13 60.688 9.760 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 13 61.699 12.483 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 13 63.664 11.608 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 13 63.527 10.734 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 13 62.116 9.029 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 13 63.240 8.818 -5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 13 62.413 10.385 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 13 64.180 10.289 -5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 13 64.218 7.699 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 13 65.169 9.151 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 13 64.090 8.439 -2.380 1.00 0.00 H new ATOM 191 N VAL A 14 60.582 12.362 -4.963 1.00 0.00 N ATOM 192 CA VAL A 14 59.799 12.323 -6.198 1.00 0.00 C ATOM 193 C VAL A 14 60.600 12.943 -7.338 1.00 0.00 C ATOM 194 O VAL A 14 61.567 13.668 -7.102 1.00 0.00 O ATOM 195 CB VAL A 14 58.471 13.047 -5.996 1.00 0.00 C ATOM 196 CG1 VAL A 14 57.634 12.290 -4.957 1.00 0.00 C ATOM 197 CG2 VAL A 14 58.740 14.469 -5.496 1.00 0.00 C ATOM 0 H VAL A 14 60.921 13.290 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 14 59.582 11.287 -6.459 1.00 0.00 H new ATOM 0 HB VAL A 14 57.929 13.090 -6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 14 56.684 12.804 -4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 14 57.447 11.276 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 14 58.176 12.251 -4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 14 57.793 14.989 -5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 14 59.279 14.426 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 14 59.340 15.006 -6.231 1.00 0.00 H new ATOM 207 N CYS A 15 60.208 12.638 -8.570 1.00 0.00 N ATOM 208 CA CYS A 15 60.915 13.155 -9.741 1.00 0.00 C ATOM 209 C CYS A 15 60.288 14.461 -10.241 1.00 0.00 C ATOM 210 O CYS A 15 59.167 14.444 -10.750 1.00 0.00 O ATOM 211 CB CYS A 15 60.862 12.119 -10.864 1.00 0.00 C ATOM 212 SG CYS A 15 61.593 12.829 -12.358 1.00 0.00 S ATOM 0 H CYS A 15 59.410 12.040 -8.785 1.00 0.00 H new ATOM 0 HA CYS A 15 61.947 13.354 -9.452 1.00 0.00 H new ATOM 0 HB2 CYS A 15 61.403 11.219 -10.572 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.830 11.823 -11.054 1.00 0.00 H new ATOM 217 N PRO A 16 60.967 15.588 -10.129 1.00 0.00 N ATOM 218 CA PRO A 16 60.416 16.891 -10.610 1.00 0.00 C ATOM 219 C PRO A 16 59.808 16.789 -12.009 1.00 0.00 C ATOM 220 O PRO A 16 59.828 15.728 -12.632 1.00 0.00 O ATOM 221 CB PRO A 16 61.631 17.815 -10.621 1.00 0.00 C ATOM 222 CG PRO A 16 62.535 17.283 -9.564 1.00 0.00 C ATOM 223 CD PRO A 16 62.319 15.768 -9.535 1.00 0.00 C ATOM 0 HA PRO A 16 59.604 17.244 -9.974 1.00 0.00 H new ATOM 0 HB2 PRO A 16 62.120 17.812 -11.595 1.00 0.00 H new ATOM 0 HB3 PRO A 16 61.344 18.846 -10.412 1.00 0.00 H new ATOM 0 HG2 PRO A 16 63.575 17.523 -9.785 1.00 0.00 H new ATOM 0 HG3 PRO A 16 62.304 17.727 -8.596 1.00 0.00 H new ATOM 0 HD2 PRO A 16 63.082 15.245 -10.112 1.00 0.00 H new ATOM 0 HD3 PRO A 16 62.364 15.377 -8.518 1.00 0.00 H new ATOM 231 N ALA A 17 59.285 17.910 -12.496 1.00 0.00 N ATOM 232 CA ALA A 17 58.690 17.951 -13.819 1.00 0.00 C ATOM 233 C ALA A 17 59.746 17.654 -14.867 1.00 0.00 C ATOM 234 O ALA A 17 59.532 16.846 -15.769 1.00 0.00 O ATOM 235 CB ALA A 17 58.079 19.327 -14.072 1.00 0.00 C ATOM 0 H ALA A 17 59.263 18.797 -11.993 1.00 0.00 H new ATOM 0 HA ALA A 17 57.905 17.198 -13.880 1.00 0.00 H new ATOM 0 HB1 ALA A 17 57.634 19.350 -15.067 1.00 0.00 H new ATOM 0 HB2 ALA A 17 57.310 19.526 -13.326 1.00 0.00 H new ATOM 0 HB3 ALA A 17 58.856 20.088 -14.004 1.00 0.00 H new ATOM 241 N ASP A 18 60.900 18.305 -14.734 1.00 0.00 N ATOM 242 CA ASP A 18 61.997 18.089 -15.671 1.00 0.00 C ATOM 243 C ASP A 18 63.015 17.131 -15.064 1.00 0.00 C ATOM 244 O ASP A 18 64.082 16.897 -15.630 1.00 0.00 O ATOM 245 CB ASP A 18 62.677 19.414 -16.017 1.00 0.00 C ATOM 246 CG ASP A 18 63.559 19.238 -17.249 1.00 0.00 C ATOM 247 OD1 ASP A 18 63.746 18.104 -17.660 1.00 0.00 O ATOM 248 OD2 ASP A 18 64.030 20.237 -17.764 1.00 0.00 O1- ATOM 0 H ASP A 18 61.097 18.979 -13.994 1.00 0.00 H new ATOM 0 HA ASP A 18 61.592 17.656 -16.585 1.00 0.00 H new ATOM 0 HB2 ASP A 18 61.925 20.181 -16.204 1.00 0.00 H new ATOM 0 HB3 ASP A 18 63.278 19.755 -15.174 1.00 0.00 H new ATOM 253 N ASN A 19 62.659 16.579 -13.907 1.00 0.00 N ATOM 254 CA ASN A 19 63.519 15.633 -13.205 1.00 0.00 C ATOM 255 C ASN A 19 64.852 16.254 -12.816 1.00 0.00 C ATOM 256 O ASN A 19 65.898 15.855 -13.329 1.00 0.00 O ATOM 257 CB ASN A 19 63.777 14.413 -14.075 1.00 0.00 C ATOM 258 CG ASN A 19 64.530 13.352 -13.276 1.00 0.00 C ATOM 259 OD1 ASN A 19 65.352 12.623 -13.834 1.00 0.00 O ATOM 260 ND2 ASN A 19 64.302 13.223 -11.997 1.00 0.00 N ATOM 0 H ASN A 19 61.776 16.773 -13.435 1.00 0.00 H new ATOM 0 HA ASN A 19 62.997 15.342 -12.293 1.00 0.00 H new ATOM 0 HB2 ASN A 19 62.832 14.006 -14.435 1.00 0.00 H new ATOM 0 HB3 ASN A 19 64.356 14.698 -14.953 1.00 0.00 H new ATOM 0 HD21 ASN A 19 64.805 12.518 -11.458 1.00 0.00 H new ATOM 0 HD22 ASN A 19 63.621 13.827 -11.537 1.00 0.00 H new ATOM 267 N LEU A 20 64.827 17.229 -11.906 1.00 0.00 N ATOM 268 CA LEU A 20 66.069 17.876 -11.473 1.00 0.00 C ATOM 269 C LEU A 20 66.604 17.244 -10.190 1.00 0.00 C ATOM 270 O LEU A 20 67.765 17.442 -9.833 1.00 0.00 O ATOM 271 CB LEU A 20 65.859 19.382 -11.243 1.00 0.00 C ATOM 272 CG LEU A 20 65.211 20.065 -12.473 1.00 0.00 C ATOM 273 CD1 LEU A 20 65.857 19.565 -13.772 1.00 0.00 C ATOM 274 CD2 LEU A 20 63.693 19.793 -12.512 1.00 0.00 C ATOM 0 H LEU A 20 63.980 17.583 -11.462 1.00 0.00 H new ATOM 0 HA LEU A 20 66.797 17.733 -12.271 1.00 0.00 H new ATOM 0 HB2 LEU A 20 65.226 19.532 -10.368 1.00 0.00 H new ATOM 0 HB3 LEU A 20 66.817 19.854 -11.028 1.00 0.00 H new ATOM 0 HG LEU A 20 65.376 21.139 -12.384 1.00 0.00 H new ATOM 0 HD11 LEU A 20 65.388 20.057 -14.624 1.00 0.00 H new ATOM 0 HD12 LEU A 20 66.922 19.796 -13.761 1.00 0.00 H new ATOM 0 HD13 LEU A 20 65.720 18.487 -13.855 1.00 0.00 H new ATOM 0 HD21 LEU A 20 63.258 20.282 -13.384 1.00 0.00 H new ATOM 0 HD22 LEU A 20 63.517 18.719 -12.573 1.00 0.00 H new ATOM 0 HD23 LEU A 20 63.230 20.186 -11.607 1.00 0.00 H new ATOM 286 N ARG A 21 65.764 16.484 -9.504 1.00 0.00 N ATOM 287 CA ARG A 21 66.183 15.838 -8.269 1.00 0.00 C ATOM 288 C ARG A 21 67.181 14.721 -8.557 1.00 0.00 C ATOM 289 O ARG A 21 68.182 14.574 -7.856 1.00 0.00 O ATOM 290 CB ARG A 21 64.964 15.275 -7.537 1.00 0.00 C ATOM 291 CG ARG A 21 65.385 14.680 -6.192 1.00 0.00 C ATOM 292 CD ARG A 21 64.160 14.092 -5.495 1.00 0.00 C ATOM 293 NE ARG A 21 63.209 15.151 -5.175 1.00 0.00 N ATOM 294 CZ ARG A 21 63.345 15.891 -4.078 1.00 0.00 C ATOM 295 NH1 ARG A 21 64.341 15.670 -3.264 1.00 0.00 N ATOM 296 NH2 ARG A 21 62.484 16.835 -3.816 1.00 0.00 N1+ ATOM 0 H ARG A 21 64.799 16.300 -9.777 1.00 0.00 H new ATOM 0 HA ARG A 21 66.670 16.581 -7.637 1.00 0.00 H new ATOM 0 HB2 ARG A 21 64.228 16.064 -7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 21 64.485 14.510 -8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 21 66.138 13.906 -6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 21 65.839 15.449 -5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 21 63.687 13.350 -6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 21 64.463 13.577 -4.583 1.00 0.00 H new ATOM 0 HE ARG A 21 62.426 15.327 -5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 21 65.013 14.931 -3.470 1.00 0.00 H new ATOM 0 HH12 ARG A 21 64.447 16.236 -2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 21 61.706 17.006 -4.452 1.00 0.00 H new ATOM 0 HH22 ARG A 21 62.589 17.402 -2.975 1.00 0.00 H new ATOM 310 N ALA A 22 66.897 13.933 -9.593 1.00 0.00 N ATOM 311 CA ALA A 22 67.771 12.825 -9.966 1.00 0.00 C ATOM 312 C ALA A 22 68.887 13.298 -10.881 1.00 0.00 C ATOM 313 O ALA A 22 68.797 14.363 -11.492 1.00 0.00 O ATOM 314 CB ALA A 22 66.967 11.743 -10.680 1.00 0.00 C ATOM 0 H ALA A 22 66.073 14.041 -10.185 1.00 0.00 H new ATOM 0 HA ALA A 22 68.209 12.421 -9.053 1.00 0.00 H new ATOM 0 HB1 ALA A 22 67.627 10.920 -10.954 1.00 0.00 H new ATOM 0 HB2 ALA A 22 66.184 11.374 -10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 22 66.514 12.160 -11.579 1.00 0.00 H new ATOM 320 N GLU A 23 69.939 12.491 -10.974 1.00 0.00 N ATOM 321 CA GLU A 23 71.084 12.816 -11.819 1.00 0.00 C ATOM 322 C GLU A 23 71.670 11.548 -12.430 1.00 0.00 C ATOM 323 O GLU A 23 72.137 11.553 -13.568 1.00 0.00 O ATOM 324 CB GLU A 23 72.155 13.523 -10.990 1.00 0.00 C ATOM 325 CG GLU A 23 71.681 14.928 -10.607 1.00 0.00 C ATOM 326 CD GLU A 23 72.739 15.618 -9.752 1.00 0.00 C ATOM 327 OE1 GLU A 23 73.752 14.996 -9.483 1.00 0.00 O ATOM 328 OE2 GLU A 23 72.518 16.759 -9.379 1.00 0.00 O1- ATOM 0 H GLU A 23 70.023 11.606 -10.474 1.00 0.00 H new ATOM 0 HA GLU A 23 70.749 13.474 -12.621 1.00 0.00 H new ATOM 0 HB2 GLU A 23 72.370 12.946 -10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 23 73.083 13.586 -11.558 1.00 0.00 H new ATOM 0 HG2 GLU A 23 71.489 15.514 -11.506 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.741 14.867 -10.059 1.00 0.00 H new ATOM 335 N GLY A 24 71.643 10.460 -11.663 1.00 0.00 N ATOM 336 CA GLY A 24 72.175 9.182 -12.131 1.00 0.00 C ATOM 337 C GLY A 24 71.080 8.335 -12.770 1.00 0.00 C ATOM 338 O GLY A 24 70.027 8.846 -13.147 1.00 0.00 O ATOM 0 H GLY A 24 71.260 10.437 -10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 24 72.972 9.358 -12.854 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.617 8.640 -11.295 1.00 0.00 H new ATOM 342 N LEU A 25 71.343 7.037 -12.894 1.00 0.00 N ATOM 343 CA LEU A 25 70.377 6.125 -13.495 1.00 0.00 C ATOM 344 C LEU A 25 69.292 5.755 -12.488 1.00 0.00 C ATOM 345 O LEU A 25 69.075 6.465 -11.506 1.00 0.00 O ATOM 346 CB LEU A 25 71.087 4.853 -13.970 1.00 0.00 C ATOM 347 CG LEU A 25 72.256 5.222 -14.892 1.00 0.00 C ATOM 348 CD1 LEU A 25 72.979 3.944 -15.330 1.00 0.00 C ATOM 349 CD2 LEU A 25 71.734 5.970 -16.131 1.00 0.00 C ATOM 0 H LEU A 25 72.211 6.596 -12.589 1.00 0.00 H new ATOM 0 HA LEU A 25 69.914 6.624 -14.346 1.00 0.00 H new ATOM 0 HB2 LEU A 25 71.453 4.288 -13.112 1.00 0.00 H new ATOM 0 HB3 LEU A 25 70.384 4.209 -14.499 1.00 0.00 H new ATOM 0 HG LEU A 25 72.948 5.869 -14.353 1.00 0.00 H new ATOM 0 HD11 LEU A 25 73.810 4.203 -15.986 1.00 0.00 H new ATOM 0 HD12 LEU A 25 73.358 3.421 -14.452 1.00 0.00 H new ATOM 0 HD13 LEU A 25 72.283 3.297 -15.865 1.00 0.00 H new ATOM 0 HD21 LEU A 25 72.571 6.228 -16.780 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.037 5.332 -16.674 1.00 0.00 H new ATOM 0 HD23 LEU A 25 71.224 6.881 -15.818 1.00 0.00 H new ATOM 361 N GLU A 26 68.609 4.642 -12.742 1.00 0.00 N ATOM 362 CA GLU A 26 67.545 4.188 -11.852 1.00 0.00 C ATOM 363 C GLU A 26 68.120 3.719 -10.519 1.00 0.00 C ATOM 364 O GLU A 26 67.380 3.355 -9.606 1.00 0.00 O ATOM 365 CB GLU A 26 66.756 3.049 -12.513 1.00 0.00 C ATOM 366 CG GLU A 26 67.603 1.771 -12.572 1.00 0.00 C ATOM 367 CD GLU A 26 68.943 2.054 -13.244 1.00 0.00 C ATOM 368 OE1 GLU A 26 69.015 1.928 -14.455 1.00 0.00 O1- ATOM 369 OE2 GLU A 26 69.879 2.393 -12.537 1.00 0.00 O ATOM 0 H GLU A 26 68.772 4.042 -13.551 1.00 0.00 H new ATOM 0 HA GLU A 26 66.873 5.026 -11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 26 65.841 2.860 -11.952 1.00 0.00 H new ATOM 0 HB3 GLU A 26 66.458 3.342 -13.520 1.00 0.00 H new ATOM 0 HG2 GLU A 26 67.767 1.389 -11.565 1.00 0.00 H new ATOM 0 HG3 GLU A 26 67.068 0.997 -13.123 1.00 0.00 H new ATOM 376 N CYS A 27 69.444 3.727 -10.420 1.00 0.00 N ATOM 377 CA CYS A 27 70.116 3.296 -9.200 1.00 0.00 C ATOM 378 C CYS A 27 69.923 4.323 -8.089 1.00 0.00 C ATOM 379 O CYS A 27 69.844 5.524 -8.346 1.00 0.00 O ATOM 380 CB CYS A 27 71.610 3.119 -9.473 1.00 0.00 C ATOM 381 SG CYS A 27 71.874 1.585 -10.394 1.00 0.00 S ATOM 0 H CYS A 27 70.071 4.026 -11.167 1.00 0.00 H new ATOM 0 HA CYS A 27 69.683 2.348 -8.881 1.00 0.00 H new ATOM 0 HB2 CYS A 27 71.990 3.968 -10.042 1.00 0.00 H new ATOM 0 HB3 CYS A 27 72.162 3.092 -8.534 1.00 0.00 H new ATOM 386 N THR A 28 69.842 3.839 -6.851 1.00 0.00 N ATOM 387 CA THR A 28 69.653 4.717 -5.699 1.00 0.00 C ATOM 388 C THR A 28 70.985 4.990 -5.002 1.00 0.00 C ATOM 389 O THR A 28 71.927 5.485 -5.618 1.00 0.00 O ATOM 390 CB THR A 28 68.674 4.072 -4.713 1.00 0.00 C ATOM 391 OG1 THR A 28 69.284 2.934 -4.120 1.00 0.00 O ATOM 392 CG2 THR A 28 67.409 3.645 -5.457 1.00 0.00 C ATOM 0 H THR A 28 69.904 2.847 -6.621 1.00 0.00 H new ATOM 0 HA THR A 28 69.246 5.666 -6.049 1.00 0.00 H new ATOM 0 HB THR A 28 68.412 4.790 -3.936 1.00 0.00 H new ATOM 0 HG1 THR A 28 68.660 2.521 -3.487 1.00 0.00 H new ATOM 0 HG21 THR A 28 66.712 3.186 -4.756 1.00 0.00 H new ATOM 0 HG22 THR A 28 66.943 4.518 -5.913 1.00 0.00 H new ATOM 0 HG23 THR A 28 67.669 2.926 -6.234 1.00 0.00 H new ATOM 400 N LYS A 29 71.058 4.671 -3.715 1.00 0.00 N ATOM 401 CA LYS A 29 72.273 4.886 -2.939 1.00 0.00 C ATOM 402 C LYS A 29 72.393 3.809 -1.880 1.00 0.00 C ATOM 403 O LYS A 29 71.811 3.924 -0.801 1.00 0.00 O ATOM 404 CB LYS A 29 72.246 6.252 -2.245 1.00 0.00 C ATOM 405 CG LYS A 29 73.586 6.551 -1.560 1.00 0.00 C ATOM 406 CD LYS A 29 73.383 7.610 -0.456 1.00 0.00 C ATOM 407 CE LYS A 29 72.940 6.934 0.859 1.00 0.00 C ATOM 408 NZ LYS A 29 72.135 7.895 1.660 1.00 0.00 N1+ ATOM 0 H LYS A 29 70.288 4.262 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 29 73.123 4.850 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 29 72.026 7.030 -2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 29 71.444 6.272 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 29 73.997 5.638 -1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.308 6.910 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.310 8.160 -0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 29 72.632 8.335 -0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 29 72.352 6.042 0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 29 73.812 6.611 1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 71.681 7.394 2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 72.756 8.641 2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 71.404 8.323 1.057 1.00 0.00 H new ATOM 422 N THR A 30 73.176 2.794 -2.175 1.00 0.00 N ATOM 423 CA THR A 30 73.405 1.726 -1.205 1.00 0.00 C ATOM 424 C THR A 30 74.888 1.442 -1.109 1.00 0.00 C ATOM 425 O THR A 30 75.633 1.680 -2.055 1.00 0.00 O ATOM 426 CB THR A 30 72.617 0.472 -1.605 1.00 0.00 C ATOM 427 OG1 THR A 30 72.495 0.413 -3.018 1.00 0.00 O ATOM 428 CG2 THR A 30 71.234 0.530 -0.978 1.00 0.00 C ATOM 0 H THR A 30 73.662 2.679 -3.064 1.00 0.00 H new ATOM 0 HA THR A 30 73.052 2.039 -0.222 1.00 0.00 H new ATOM 0 HB THR A 30 73.143 -0.416 -1.254 1.00 0.00 H new ATOM 0 HG1 THR A 30 71.752 -0.179 -3.258 1.00 0.00 H new ATOM 0 HG21 THR A 30 70.669 -0.359 -1.259 1.00 0.00 H new ATOM 0 HG22 THR A 30 71.328 0.572 0.107 1.00 0.00 H new ATOM 0 HG23 THR A 30 70.711 1.419 -1.332 1.00 0.00 H new ATOM 436 N CYS A 31 75.321 0.967 0.047 1.00 0.00 N ATOM 437 CA CYS A 31 76.730 0.704 0.246 1.00 0.00 C ATOM 438 C CYS A 31 77.283 -0.119 -0.914 1.00 0.00 C ATOM 439 O CYS A 31 78.499 -0.241 -1.070 1.00 0.00 O ATOM 440 CB CYS A 31 76.946 0.021 1.603 1.00 0.00 C ATOM 441 SG CYS A 31 77.341 1.280 2.846 1.00 0.00 S ATOM 0 H CYS A 31 74.725 0.759 0.848 1.00 0.00 H new ATOM 0 HA CYS A 31 77.281 1.644 0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 31 76.050 -0.527 1.895 1.00 0.00 H new ATOM 0 HB3 CYS A 31 77.756 -0.706 1.533 1.00 0.00 H new ATOM 446 N GLN A 32 76.399 -0.674 -1.726 1.00 0.00 N ATOM 447 CA GLN A 32 76.829 -1.472 -2.869 1.00 0.00 C ATOM 448 C GLN A 32 77.186 -0.584 -4.063 1.00 0.00 C ATOM 449 O GLN A 32 78.135 -0.869 -4.786 1.00 0.00 O ATOM 450 CB GLN A 32 75.722 -2.446 -3.269 1.00 0.00 C ATOM 451 CG GLN A 32 74.470 -1.651 -3.661 1.00 0.00 C ATOM 452 CD GLN A 32 73.222 -2.519 -3.525 1.00 0.00 C ATOM 453 OE1 GLN A 32 72.690 -3.006 -4.523 1.00 0.00 O ATOM 454 NE2 GLN A 32 72.716 -2.736 -2.341 1.00 0.00 N ATOM 0 H GLN A 32 75.388 -0.590 -1.620 1.00 0.00 H new ATOM 0 HA GLN A 32 77.720 -2.027 -2.576 1.00 0.00 H new ATOM 0 HB2 GLN A 32 76.050 -3.066 -4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 32 75.496 -3.119 -2.442 1.00 0.00 H new ATOM 0 HG2 GLN A 32 74.378 -0.770 -3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 32 74.564 -1.296 -4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 32 73.158 -2.332 -1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 32 71.879 -3.310 -2.242 1.00 0.00 H new ATOM 463 N ASN A 33 76.407 0.485 -4.266 1.00 0.00 N ATOM 464 CA ASN A 33 76.618 1.418 -5.383 1.00 0.00 C ATOM 465 C ASN A 33 77.050 2.786 -4.877 1.00 0.00 C ATOM 466 O ASN A 33 77.349 3.680 -5.668 1.00 0.00 O ATOM 467 CB ASN A 33 75.312 1.547 -6.161 1.00 0.00 C ATOM 468 CG ASN A 33 75.035 0.261 -6.938 1.00 0.00 C ATOM 469 OD1 ASN A 33 75.945 -0.539 -7.160 1.00 0.00 O ATOM 470 ND2 ASN A 33 73.825 0.012 -7.367 1.00 0.00 N ATOM 0 H ASN A 33 75.618 0.728 -3.667 1.00 0.00 H new ATOM 0 HA ASN A 33 77.409 1.032 -6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 33 74.490 1.751 -5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 33 75.371 2.391 -6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 33 73.634 -0.845 -7.886 1.00 0.00 H new ATOM 0 HD22 ASN A 33 73.072 0.675 -7.183 1.00 0.00 H new ATOM 477 N TYR A 34 77.080 2.954 -3.562 1.00 0.00 N ATOM 478 CA TYR A 34 77.475 4.226 -2.980 1.00 0.00 C ATOM 479 C TYR A 34 78.771 4.709 -3.626 1.00 0.00 C ATOM 480 O TYR A 34 78.872 5.863 -4.039 1.00 0.00 O ATOM 481 CB TYR A 34 77.696 4.052 -1.475 1.00 0.00 C ATOM 482 CG TYR A 34 77.778 5.410 -0.811 1.00 0.00 C ATOM 483 CD1 TYR A 34 78.907 6.223 -0.988 1.00 0.00 C ATOM 484 CD2 TYR A 34 76.710 5.866 -0.028 1.00 0.00 C ATOM 485 CE1 TYR A 34 78.963 7.482 -0.384 1.00 0.00 C ATOM 486 CE2 TYR A 34 76.770 7.127 0.573 1.00 0.00 C ATOM 487 CZ TYR A 34 77.895 7.934 0.395 1.00 0.00 C ATOM 488 OH TYR A 34 77.951 9.180 0.987 1.00 0.00 O ATOM 0 H TYR A 34 76.838 2.231 -2.884 1.00 0.00 H new ATOM 0 HA TYR A 34 76.688 4.960 -3.154 1.00 0.00 H new ATOM 0 HB2 TYR A 34 76.880 3.474 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 34 78.614 3.492 -1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 34 79.733 5.876 -1.591 1.00 0.00 H new ATOM 0 HD2 TYR A 34 75.839 5.243 0.112 1.00 0.00 H new ATOM 0 HE1 TYR A 34 79.833 8.107 -0.520 1.00 0.00 H new ATOM 0 HE2 TYR A 34 75.945 7.477 1.176 1.00 0.00 H new ATOM 0 HH TYR A 34 77.127 9.339 1.492 1.00 0.00 H new ATOM 498 N ASP A 35 79.768 3.820 -3.719 1.00 0.00 N ATOM 499 CA ASP A 35 81.056 4.175 -4.320 1.00 0.00 C ATOM 500 C ASP A 35 81.179 3.562 -5.708 1.00 0.00 C ATOM 501 O ASP A 35 82.120 3.847 -6.445 1.00 0.00 O ATOM 502 CB ASP A 35 82.199 3.624 -3.463 1.00 0.00 C ATOM 503 CG ASP A 35 83.527 4.210 -3.929 1.00 0.00 C ATOM 504 OD1 ASP A 35 83.500 5.210 -4.629 1.00 0.00 O ATOM 505 OD2 ASP A 35 84.554 3.654 -3.577 1.00 0.00 O1- ATOM 0 H ASP A 35 79.707 2.857 -3.388 1.00 0.00 H new ATOM 0 HA ASP A 35 81.112 5.262 -4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 35 82.031 3.871 -2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 35 82.227 2.537 -3.534 1.00 0.00 H new ATOM 510 N LEU A 36 80.210 2.724 -6.050 1.00 0.00 N ATOM 511 CA LEU A 36 80.195 2.064 -7.358 1.00 0.00 C ATOM 512 C LEU A 36 79.212 2.785 -8.266 1.00 0.00 C ATOM 513 O LEU A 36 78.141 3.207 -7.835 1.00 0.00 O ATOM 514 CB LEU A 36 79.875 0.547 -7.198 1.00 0.00 C ATOM 515 CG LEU A 36 78.888 0.039 -8.279 1.00 0.00 C ATOM 516 CD1 LEU A 36 79.489 0.218 -9.699 1.00 0.00 C ATOM 517 CD2 LEU A 36 78.580 -1.445 -8.022 1.00 0.00 C ATOM 0 H LEU A 36 79.425 2.483 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 36 81.179 2.121 -7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 36 80.801 -0.026 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 36 79.451 0.369 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 36 77.969 0.622 -8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 36 78.780 -0.145 -10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 36 79.693 1.274 -9.877 1.00 0.00 H new ATOM 0 HD13 LEU A 36 80.417 -0.349 -9.776 1.00 0.00 H new ATOM 0 HD21 LEU A 36 77.886 -1.809 -8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 36 79.504 -2.022 -8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 36 78.132 -1.558 -7.035 1.00 0.00 H new ATOM 529 N GLU A 37 79.601 2.945 -9.519 1.00 0.00 N ATOM 530 CA GLU A 37 78.769 3.641 -10.478 1.00 0.00 C ATOM 531 C GLU A 37 77.309 3.244 -10.351 1.00 0.00 C ATOM 532 O GLU A 37 76.975 2.248 -9.713 1.00 0.00 O ATOM 533 CB GLU A 37 79.259 3.368 -11.902 1.00 0.00 C ATOM 534 CG GLU A 37 80.630 4.012 -12.108 1.00 0.00 C ATOM 535 CD GLU A 37 81.166 3.648 -13.488 1.00 0.00 C ATOM 536 OE1 GLU A 37 80.472 2.944 -14.204 1.00 0.00 O ATOM 537 OE2 GLU A 37 82.261 4.076 -13.809 1.00 0.00 O1- ATOM 0 H GLU A 37 80.486 2.602 -9.893 1.00 0.00 H new ATOM 0 HA GLU A 37 78.846 4.707 -10.264 1.00 0.00 H new ATOM 0 HB2 GLU A 37 79.321 2.294 -12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 37 78.547 3.767 -12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 37 80.552 5.095 -12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 37 81.322 3.672 -11.337 1.00 0.00 H new ATOM 544 N CYS A 38 76.445 4.056 -10.953 1.00 0.00 N ATOM 545 CA CYS A 38 75.012 3.820 -10.899 1.00 0.00 C ATOM 546 C CYS A 38 74.481 4.284 -9.548 1.00 0.00 C ATOM 547 O CYS A 38 74.655 3.605 -8.548 1.00 0.00 O ATOM 548 CB CYS A 38 74.718 2.324 -11.105 1.00 0.00 C ATOM 549 SG CYS A 38 73.106 2.124 -11.902 1.00 0.00 S ATOM 0 H CYS A 38 76.716 4.884 -11.484 1.00 0.00 H new ATOM 0 HA CYS A 38 74.517 4.380 -11.692 1.00 0.00 H new ATOM 0 HB2 CYS A 38 75.497 1.872 -11.719 1.00 0.00 H new ATOM 0 HB3 CYS A 38 74.727 1.806 -10.146 1.00 0.00 H new ATOM 554 N MET A 39 73.836 5.442 -9.520 1.00 0.00 N ATOM 555 CA MET A 39 73.304 5.961 -8.265 1.00 0.00 C ATOM 556 C MET A 39 72.241 7.022 -8.532 1.00 0.00 C ATOM 557 O MET A 39 71.773 7.172 -9.660 1.00 0.00 O ATOM 558 CB MET A 39 74.440 6.560 -7.424 1.00 0.00 C ATOM 559 CG MET A 39 75.386 7.345 -8.332 1.00 0.00 C ATOM 560 SD MET A 39 76.657 8.148 -7.324 1.00 0.00 S ATOM 561 CE MET A 39 77.503 9.014 -8.668 1.00 0.00 C ATOM 0 H MET A 39 73.670 6.032 -10.335 1.00 0.00 H new ATOM 0 HA MET A 39 72.845 5.139 -7.716 1.00 0.00 H new ATOM 0 HB2 MET A 39 74.031 7.214 -6.654 1.00 0.00 H new ATOM 0 HB3 MET A 39 74.985 5.767 -6.912 1.00 0.00 H new ATOM 0 HG2 MET A 39 75.850 6.677 -9.057 1.00 0.00 H new ATOM 0 HG3 MET A 39 74.829 8.092 -8.898 1.00 0.00 H new ATOM 0 HE1 MET A 39 78.339 9.585 -8.264 1.00 0.00 H new ATOM 0 HE2 MET A 39 77.875 8.288 -9.391 1.00 0.00 H new ATOM 0 HE3 MET A 39 76.805 9.692 -9.160 1.00 0.00 H new ATOM 571 N SER A 40 71.860 7.750 -7.487 1.00 0.00 N ATOM 572 CA SER A 40 70.849 8.788 -7.626 1.00 0.00 C ATOM 573 C SER A 40 69.631 8.232 -8.352 1.00 0.00 C ATOM 574 O SER A 40 69.609 8.155 -9.580 1.00 0.00 O ATOM 575 CB SER A 40 71.418 9.970 -8.409 1.00 0.00 C ATOM 576 OG SER A 40 70.349 10.757 -8.916 1.00 0.00 O ATOM 0 H SER A 40 72.233 7.641 -6.544 1.00 0.00 H new ATOM 0 HA SER A 40 70.552 9.126 -6.633 1.00 0.00 H new ATOM 0 HB2 SER A 40 72.056 10.575 -7.764 1.00 0.00 H new ATOM 0 HB3 SER A 40 72.041 9.612 -9.228 1.00 0.00 H new ATOM 0 HG SER A 40 70.413 11.666 -8.556 1.00 0.00 H new ATOM 582 N MET A 41 68.619 7.840 -7.585 1.00 0.00 N ATOM 583 CA MET A 41 67.404 7.284 -8.170 1.00 0.00 C ATOM 584 C MET A 41 66.970 8.111 -9.376 1.00 0.00 C ATOM 585 O MET A 41 66.809 9.329 -9.279 1.00 0.00 O ATOM 586 CB MET A 41 66.287 7.262 -7.126 1.00 0.00 C ATOM 587 CG MET A 41 65.085 6.491 -7.675 1.00 0.00 C ATOM 588 SD MET A 41 63.810 6.377 -6.393 1.00 0.00 S ATOM 589 CE MET A 41 63.265 4.687 -6.743 1.00 0.00 C ATOM 0 H MET A 41 68.615 7.896 -6.567 1.00 0.00 H new ATOM 0 HA MET A 41 67.608 6.265 -8.499 1.00 0.00 H new ATOM 0 HB2 MET A 41 66.643 6.794 -6.208 1.00 0.00 H new ATOM 0 HB3 MET A 41 65.993 8.280 -6.872 1.00 0.00 H new ATOM 0 HG2 MET A 41 64.687 6.995 -8.556 1.00 0.00 H new ATOM 0 HG3 MET A 41 65.391 5.493 -7.989 1.00 0.00 H new ATOM 0 HE1 MET A 41 62.319 4.497 -6.236 1.00 0.00 H new ATOM 0 HE2 MET A 41 63.132 4.563 -7.818 1.00 0.00 H new ATOM 0 HE3 MET A 41 64.016 3.982 -6.387 1.00 0.00 H new ATOM 599 N GLY A 42 66.794 7.443 -10.510 1.00 0.00 N ATOM 600 CA GLY A 42 66.388 8.127 -11.732 1.00 0.00 C ATOM 601 C GLY A 42 65.101 8.912 -11.513 1.00 0.00 C ATOM 602 O GLY A 42 64.731 9.212 -10.377 1.00 0.00 O ATOM 0 H GLY A 42 66.925 6.436 -10.609 1.00 0.00 H new ATOM 0 HA2 GLY A 42 67.180 8.802 -12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 42 66.243 7.399 -12.530 1.00 0.00 H new ATOM 606 N CYS A 43 64.425 9.246 -12.605 1.00 0.00 N ATOM 607 CA CYS A 43 63.182 9.998 -12.517 1.00 0.00 C ATOM 608 C CYS A 43 62.067 9.124 -11.952 1.00 0.00 C ATOM 609 O CYS A 43 60.947 9.126 -12.464 1.00 0.00 O ATOM 610 CB CYS A 43 62.784 10.507 -13.905 1.00 0.00 C ATOM 611 SG CYS A 43 61.243 11.453 -13.795 1.00 0.00 S ATOM 0 H CYS A 43 64.714 9.010 -13.554 1.00 0.00 H new ATOM 0 HA CYS A 43 63.335 10.846 -11.849 1.00 0.00 H new ATOM 0 HB2 CYS A 43 63.577 11.133 -14.314 1.00 0.00 H new ATOM 0 HB3 CYS A 43 62.657 9.667 -14.588 1.00 0.00 H new ATOM 616 N VAL A 44 62.378 8.376 -10.891 1.00 0.00 N ATOM 617 CA VAL A 44 61.392 7.496 -10.256 1.00 0.00 C ATOM 618 C VAL A 44 61.245 7.857 -8.781 1.00 0.00 C ATOM 619 O VAL A 44 62.228 7.931 -8.044 1.00 0.00 O ATOM 620 CB VAL A 44 61.841 6.040 -10.397 1.00 0.00 C ATOM 621 CG1 VAL A 44 60.928 5.133 -9.568 1.00 0.00 C ATOM 622 CG2 VAL A 44 61.768 5.630 -11.869 1.00 0.00 C ATOM 0 H VAL A 44 63.300 8.361 -10.455 1.00 0.00 H new ATOM 0 HA VAL A 44 60.427 7.623 -10.746 1.00 0.00 H new ATOM 0 HB VAL A 44 62.865 5.941 -10.038 1.00 0.00 H new ATOM 0 HG11 VAL A 44 61.252 4.098 -9.672 1.00 0.00 H new ATOM 0 HG12 VAL A 44 60.979 5.426 -8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 44 59.901 5.229 -9.922 1.00 0.00 H new ATOM 0 HG21 VAL A 44 62.087 4.593 -11.974 1.00 0.00 H new ATOM 0 HG22 VAL A 44 60.743 5.732 -12.225 1.00 0.00 H new ATOM 0 HG23 VAL A 44 62.422 6.272 -12.459 1.00 0.00 H new ATOM 632 N SER A 45 60.002 8.071 -8.360 1.00 0.00 N ATOM 633 CA SER A 45 59.727 8.416 -6.974 1.00 0.00 C ATOM 634 C SER A 45 59.852 7.187 -6.077 1.00 0.00 C ATOM 635 O SER A 45 59.669 6.059 -6.530 1.00 0.00 O ATOM 636 CB SER A 45 58.320 8.997 -6.841 1.00 0.00 C ATOM 637 OG SER A 45 57.365 7.973 -7.079 1.00 0.00 O ATOM 0 H SER A 45 59.176 8.012 -8.956 1.00 0.00 H new ATOM 0 HA SER A 45 60.458 9.161 -6.661 1.00 0.00 H new ATOM 0 HB2 SER A 45 58.180 9.416 -5.845 1.00 0.00 H new ATOM 0 HB3 SER A 45 58.182 9.812 -7.552 1.00 0.00 H new ATOM 0 HG SER A 45 56.461 8.342 -6.993 1.00 0.00 H new ATOM 643 N GLY A 46 60.161 7.414 -4.802 1.00 0.00 N ATOM 644 CA GLY A 46 60.302 6.311 -3.860 1.00 0.00 C ATOM 645 C GLY A 46 60.736 6.797 -2.478 1.00 0.00 C ATOM 646 O GLY A 46 60.825 7.993 -2.221 1.00 0.00 O ATOM 0 H GLY A 46 60.316 8.340 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 46 59.354 5.780 -3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 46 61.034 5.599 -4.241 1.00 0.00 H new ATOM 650 N CYS A 47 60.974 5.848 -1.583 1.00 0.00 N ATOM 651 CA CYS A 47 61.377 6.157 -0.207 1.00 0.00 C ATOM 652 C CYS A 47 62.712 5.499 0.127 1.00 0.00 C ATOM 653 O CYS A 47 62.873 4.291 -0.039 1.00 0.00 O ATOM 654 CB CYS A 47 60.309 5.667 0.761 1.00 0.00 C ATOM 655 SG CYS A 47 60.291 3.856 0.764 1.00 0.00 S ATOM 0 H CYS A 47 60.896 4.851 -1.781 1.00 0.00 H new ATOM 0 HA CYS A 47 61.490 7.237 -0.114 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.511 6.042 1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 47 59.332 6.052 0.468 1.00 0.00 H new ATOM 660 N LEU A 48 63.666 6.311 0.594 1.00 0.00 N ATOM 661 CA LEU A 48 65.004 5.820 0.945 1.00 0.00 C ATOM 662 C LEU A 48 65.400 6.315 2.335 1.00 0.00 C ATOM 663 O LEU A 48 64.816 7.265 2.849 1.00 0.00 O ATOM 664 CB LEU A 48 66.022 6.347 -0.071 1.00 0.00 C ATOM 665 CG LEU A 48 65.565 6.010 -1.492 1.00 0.00 C ATOM 666 CD1 LEU A 48 66.487 6.714 -2.493 1.00 0.00 C ATOM 667 CD2 LEU A 48 65.644 4.494 -1.730 1.00 0.00 C ATOM 0 H LEU A 48 63.537 7.312 0.738 1.00 0.00 H new ATOM 0 HA LEU A 48 64.991 4.730 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.132 7.426 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.000 5.906 0.120 1.00 0.00 H new ATOM 0 HG LEU A 48 64.535 6.342 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.168 6.479 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 48 66.438 7.792 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.512 6.373 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.316 4.267 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 48 66.672 4.158 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 48 64.999 3.980 -1.017 1.00 0.00 H new ATOM 679 N CYS A 49 66.399 5.669 2.931 1.00 0.00 N ATOM 680 CA CYS A 49 66.868 6.063 4.260 1.00 0.00 C ATOM 681 C CYS A 49 67.672 7.378 4.177 1.00 0.00 C ATOM 682 O CYS A 49 68.211 7.710 3.121 1.00 0.00 O ATOM 683 CB CYS A 49 67.744 4.940 4.856 1.00 0.00 C ATOM 684 SG CYS A 49 67.296 3.350 4.123 1.00 0.00 S ATOM 0 H CYS A 49 66.896 4.878 2.521 1.00 0.00 H new ATOM 0 HA CYS A 49 66.006 6.225 4.907 1.00 0.00 H new ATOM 0 HB2 CYS A 49 68.797 5.152 4.670 1.00 0.00 H new ATOM 0 HB3 CYS A 49 67.613 4.901 5.937 1.00 0.00 H new ATOM 689 N PRO A 50 67.767 8.119 5.263 1.00 0.00 N ATOM 690 CA PRO A 50 68.529 9.406 5.298 1.00 0.00 C ATOM 691 C PRO A 50 69.808 9.346 4.447 1.00 0.00 C ATOM 692 O PRO A 50 70.313 8.259 4.165 1.00 0.00 O ATOM 693 CB PRO A 50 68.853 9.563 6.788 1.00 0.00 C ATOM 694 CG PRO A 50 67.702 8.923 7.505 1.00 0.00 C ATOM 695 CD PRO A 50 67.156 7.823 6.577 1.00 0.00 C ATOM 0 HA PRO A 50 67.968 10.243 4.883 1.00 0.00 H new ATOM 0 HB2 PRO A 50 69.795 9.076 7.040 1.00 0.00 H new ATOM 0 HB3 PRO A 50 68.954 10.613 7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 50 68.026 8.501 8.456 1.00 0.00 H new ATOM 0 HG3 PRO A 50 66.929 9.658 7.729 1.00 0.00 H new ATOM 0 HD2 PRO A 50 67.434 6.830 6.930 1.00 0.00 H new ATOM 0 HD3 PRO A 50 66.068 7.850 6.525 1.00 0.00 H new ATOM 703 N PRO A 51 70.333 10.479 4.031 1.00 0.00 N ATOM 704 CA PRO A 51 71.574 10.532 3.194 1.00 0.00 C ATOM 705 C PRO A 51 72.759 9.818 3.854 1.00 0.00 C ATOM 706 O PRO A 51 73.548 9.161 3.177 1.00 0.00 O ATOM 707 CB PRO A 51 71.847 12.044 3.024 1.00 0.00 C ATOM 708 CG PRO A 51 71.044 12.711 4.095 1.00 0.00 C ATOM 709 CD PRO A 51 69.817 11.831 4.300 1.00 0.00 C ATOM 0 HA PRO A 51 71.443 10.016 2.243 1.00 0.00 H new ATOM 0 HB2 PRO A 51 72.909 12.267 3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 51 71.547 12.389 2.035 1.00 0.00 H new ATOM 0 HG2 PRO A 51 71.619 12.801 5.016 1.00 0.00 H new ATOM 0 HG3 PRO A 51 70.757 13.720 3.798 1.00 0.00 H new ATOM 0 HD2 PRO A 51 69.422 11.919 5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 51 69.010 12.098 3.618 1.00 0.00 H new ATOM 717 N GLY A 52 72.874 9.942 5.173 1.00 0.00 N ATOM 718 CA GLY A 52 73.964 9.293 5.898 1.00 0.00 C ATOM 719 C GLY A 52 73.644 7.821 6.124 1.00 0.00 C ATOM 720 O GLY A 52 74.429 7.079 6.711 1.00 0.00 O ATOM 0 H GLY A 52 72.234 10.480 5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 52 74.892 9.388 5.335 1.00 0.00 H new ATOM 0 HA3 GLY A 52 74.120 9.790 6.856 1.00 0.00 H new ATOM 724 N MET A 53 72.472 7.423 5.651 1.00 0.00 N ATOM 725 CA MET A 53 72.019 6.038 5.788 1.00 0.00 C ATOM 726 C MET A 53 71.815 5.405 4.418 1.00 0.00 C ATOM 727 O MET A 53 71.680 6.097 3.409 1.00 0.00 O ATOM 728 CB MET A 53 70.725 5.996 6.605 1.00 0.00 C ATOM 729 CG MET A 53 70.988 6.575 8.005 1.00 0.00 C ATOM 730 SD MET A 53 72.229 5.584 8.883 1.00 0.00 S ATOM 731 CE MET A 53 71.188 4.155 9.259 1.00 0.00 C ATOM 0 H MET A 53 71.815 8.036 5.169 1.00 0.00 H new ATOM 0 HA MET A 53 72.783 5.464 6.312 1.00 0.00 H new ATOM 0 HB2 MET A 53 69.946 6.569 6.103 1.00 0.00 H new ATOM 0 HB3 MET A 53 70.365 4.970 6.685 1.00 0.00 H new ATOM 0 HG2 MET A 53 71.332 7.606 7.919 1.00 0.00 H new ATOM 0 HG3 MET A 53 70.060 6.595 8.576 1.00 0.00 H new ATOM 0 HE1 MET A 53 71.703 3.506 9.967 1.00 0.00 H new ATOM 0 HE2 MET A 53 70.248 4.494 9.694 1.00 0.00 H new ATOM 0 HE3 MET A 53 70.984 3.602 8.342 1.00 0.00 H new ATOM 741 N VAL A 54 71.808 4.074 4.398 1.00 0.00 N ATOM 742 CA VAL A 54 71.642 3.316 3.155 1.00 0.00 C ATOM 743 C VAL A 54 70.562 2.260 3.338 1.00 0.00 C ATOM 744 O VAL A 54 69.845 2.270 4.330 1.00 0.00 O ATOM 745 CB VAL A 54 72.962 2.634 2.781 1.00 0.00 C ATOM 746 CG1 VAL A 54 73.994 3.683 2.360 1.00 0.00 C ATOM 747 CG2 VAL A 54 73.509 1.832 3.973 1.00 0.00 C ATOM 0 H VAL A 54 71.916 3.494 5.230 1.00 0.00 H new ATOM 0 HA VAL A 54 71.350 4.000 2.358 1.00 0.00 H new ATOM 0 HB VAL A 54 72.774 1.954 1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 54 74.929 3.188 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 54 73.620 4.236 1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 54 74.169 4.373 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 54 74.447 1.354 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 54 73.683 2.503 4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 54 72.786 1.069 4.261 1.00 0.00 H new ATOM 757 N ARG A 55 70.455 1.354 2.368 1.00 0.00 N ATOM 758 CA ARG A 55 69.462 0.277 2.425 1.00 0.00 C ATOM 759 C ARG A 55 70.150 -1.081 2.348 1.00 0.00 C ATOM 760 O ARG A 55 70.796 -1.407 1.355 1.00 0.00 O ATOM 761 CB ARG A 55 68.471 0.408 1.268 1.00 0.00 C ATOM 762 CG ARG A 55 67.537 1.590 1.520 1.00 0.00 C ATOM 763 CD ARG A 55 66.657 1.809 0.294 1.00 0.00 C ATOM 764 NE ARG A 55 65.835 0.623 0.047 1.00 0.00 N ATOM 765 CZ ARG A 55 66.220 -0.329 -0.804 1.00 0.00 C ATOM 766 NH1 ARG A 55 67.376 -0.243 -1.409 1.00 0.00 N ATOM 767 NH2 ARG A 55 65.449 -1.360 -1.022 1.00 0.00 N1+ ATOM 0 H ARG A 55 71.041 1.342 1.534 1.00 0.00 H new ATOM 0 HA ARG A 55 68.925 0.356 3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 55 69.009 0.551 0.331 1.00 0.00 H new ATOM 0 HB3 ARG A 55 67.892 -0.510 1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 55 66.918 1.398 2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 55 68.117 2.488 1.730 1.00 0.00 H new ATOM 0 HD2 ARG A 55 66.018 2.679 0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 55 67.278 2.018 -0.577 1.00 0.00 H new ATOM 0 HE ARG A 55 64.946 0.522 0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 55 67.987 0.554 -1.231 1.00 0.00 H new ATOM 0 HH12 ARG A 55 67.667 -0.973 -2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 55 64.553 -1.437 -0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 55 65.743 -2.088 -1.673 1.00 0.00 H new ATOM 781 N HIS A 56 69.999 -1.866 3.410 1.00 0.00 N ATOM 782 CA HIS A 56 70.601 -3.196 3.484 1.00 0.00 C ATOM 783 C HIS A 56 69.573 -4.221 3.978 1.00 0.00 C ATOM 784 O HIS A 56 68.985 -4.061 5.036 1.00 0.00 O ATOM 785 CB HIS A 56 71.813 -3.134 4.436 1.00 0.00 C ATOM 786 CG HIS A 56 72.140 -4.503 4.964 1.00 0.00 C ATOM 787 ND1 HIS A 56 72.249 -5.604 4.135 1.00 0.00 N ATOM 788 CD2 HIS A 56 72.363 -4.966 6.238 1.00 0.00 C ATOM 789 CE1 HIS A 56 72.525 -6.664 4.910 1.00 0.00 C ATOM 790 NE2 HIS A 56 72.605 -6.334 6.201 1.00 0.00 N ATOM 0 H HIS A 56 69.462 -1.603 4.236 1.00 0.00 H new ATOM 0 HA HIS A 56 70.931 -3.510 2.494 1.00 0.00 H new ATOM 0 HB2 HIS A 56 72.676 -2.726 3.910 1.00 0.00 H new ATOM 0 HB3 HIS A 56 71.597 -2.460 5.265 1.00 0.00 H new ATOM 0 HD2 HIS A 56 72.352 -4.360 7.132 1.00 0.00 H new ATOM 0 HE1 HIS A 56 72.666 -7.666 4.534 1.00 0.00 H new ATOM 0 HE2 HIS A 56 72.801 -6.951 6.989 1.00 0.00 H new ATOM 798 N GLU A 57 69.363 -5.277 3.206 1.00 0.00 N ATOM 799 CA GLU A 57 68.407 -6.311 3.604 1.00 0.00 C ATOM 800 C GLU A 57 67.112 -5.695 4.132 1.00 0.00 C ATOM 801 O GLU A 57 66.617 -6.084 5.189 1.00 0.00 O ATOM 802 CB GLU A 57 69.030 -7.207 4.687 1.00 0.00 C ATOM 803 CG GLU A 57 70.006 -8.194 4.042 1.00 0.00 C ATOM 804 CD GLU A 57 69.233 -9.249 3.255 1.00 0.00 C ATOM 805 OE1 GLU A 57 68.370 -9.882 3.843 1.00 0.00 O ATOM 806 OE2 GLU A 57 69.515 -9.409 2.080 1.00 0.00 O1- ATOM 0 H GLU A 57 69.830 -5.444 2.315 1.00 0.00 H new ATOM 0 HA GLU A 57 68.168 -6.907 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 57 69.550 -6.595 5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 57 68.248 -7.749 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 57 70.690 -7.663 3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 57 70.613 -8.673 4.810 1.00 0.00 H new ATOM 813 N ASN A 58 66.560 -4.752 3.379 1.00 0.00 N ATOM 814 CA ASN A 58 65.306 -4.104 3.760 1.00 0.00 C ATOM 815 C ASN A 58 65.452 -3.248 5.021 1.00 0.00 C ATOM 816 O ASN A 58 64.461 -2.719 5.529 1.00 0.00 O ATOM 817 CB ASN A 58 64.226 -5.170 3.985 1.00 0.00 C ATOM 818 CG ASN A 58 62.838 -4.548 3.892 1.00 0.00 C ATOM 819 OD1 ASN A 58 62.686 -3.337 4.062 1.00 0.00 O ATOM 820 ND2 ASN A 58 61.812 -5.309 3.631 1.00 0.00 N ATOM 0 H ASN A 58 66.958 -4.417 2.502 1.00 0.00 H new ATOM 0 HA ASN A 58 65.020 -3.439 2.945 1.00 0.00 H new ATOM 0 HB2 ASN A 58 64.327 -5.962 3.243 1.00 0.00 H new ATOM 0 HB3 ASN A 58 64.360 -5.632 4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 58 60.879 -4.902 3.567 1.00 0.00 H new ATOM 0 HD22 ASN A 58 61.943 -6.311 3.491 1.00 0.00 H new ATOM 827 N ARG A 59 66.679 -3.114 5.533 1.00 0.00 N ATOM 828 CA ARG A 59 66.929 -2.323 6.745 1.00 0.00 C ATOM 829 C ARG A 59 67.958 -1.246 6.434 1.00 0.00 C ATOM 830 O ARG A 59 68.807 -1.440 5.571 1.00 0.00 O ATOM 831 CB ARG A 59 67.426 -3.276 7.872 1.00 0.00 C ATOM 832 CG ARG A 59 68.978 -3.308 7.983 1.00 0.00 C ATOM 833 CD ARG A 59 69.444 -4.646 8.564 1.00 0.00 C ATOM 834 NE ARG A 59 68.933 -4.804 9.919 1.00 0.00 N ATOM 835 CZ ARG A 59 69.069 -5.946 10.579 1.00 0.00 C ATOM 836 NH1 ARG A 59 69.685 -6.953 10.022 1.00 0.00 N ATOM 837 NH2 ARG A 59 68.590 -6.062 11.785 1.00 0.00 N1+ ATOM 0 H ARG A 59 67.513 -3.541 5.130 1.00 0.00 H new ATOM 0 HA ARG A 59 66.016 -1.833 7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 59 67.003 -2.958 8.825 1.00 0.00 H new ATOM 0 HB3 ARG A 59 67.058 -4.284 7.680 1.00 0.00 H new ATOM 0 HG2 ARG A 59 69.423 -3.157 6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 59 69.321 -2.490 8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 59 69.095 -5.466 7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 59 70.533 -4.690 8.569 1.00 0.00 H new ATOM 0 HE ARG A 59 68.461 -4.020 10.369 1.00 0.00 H new ATOM 0 HH11 ARG A 59 70.062 -6.862 9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 59 69.789 -7.831 10.530 1.00 0.00 H new ATOM 0 HH21 ARG A 59 68.111 -5.274 12.221 1.00 0.00 H new ATOM 0 HH22 ARG A 59 68.694 -6.940 12.293 1.00 0.00 H new ATOM 851 N CYS A 60 67.898 -0.119 7.136 1.00 0.00 N ATOM 852 CA CYS A 60 68.862 0.953 6.895 1.00 0.00 C ATOM 853 C CYS A 60 69.921 0.982 7.977 1.00 0.00 C ATOM 854 O CYS A 60 69.618 0.973 9.169 1.00 0.00 O ATOM 855 CB CYS A 60 68.172 2.313 6.838 1.00 0.00 C ATOM 856 SG CYS A 60 66.754 2.226 5.713 1.00 0.00 S ATOM 0 H CYS A 60 67.208 0.076 7.862 1.00 0.00 H new ATOM 0 HA CYS A 60 69.333 0.751 5.933 1.00 0.00 H new ATOM 0 HB2 CYS A 60 67.842 2.607 7.834 1.00 0.00 H new ATOM 0 HB3 CYS A 60 68.874 3.074 6.497 1.00 0.00 H new ATOM 861 N VAL A 61 71.170 1.051 7.537 1.00 0.00 N ATOM 862 CA VAL A 61 72.304 1.120 8.451 1.00 0.00 C ATOM 863 C VAL A 61 73.294 2.173 7.988 1.00 0.00 C ATOM 864 O VAL A 61 73.361 2.514 6.812 1.00 0.00 O ATOM 865 CB VAL A 61 73.006 -0.237 8.564 1.00 0.00 C ATOM 866 CG1 VAL A 61 71.968 -1.333 8.799 1.00 0.00 C ATOM 867 CG2 VAL A 61 73.773 -0.535 7.274 1.00 0.00 C ATOM 0 H VAL A 61 71.425 1.061 6.549 1.00 0.00 H new ATOM 0 HA VAL A 61 71.923 1.394 9.435 1.00 0.00 H new ATOM 0 HB VAL A 61 73.704 -0.208 9.401 1.00 0.00 H new ATOM 0 HG11 VAL A 61 72.469 -2.298 8.879 1.00 0.00 H new ATOM 0 HG12 VAL A 61 71.425 -1.128 9.722 1.00 0.00 H new ATOM 0 HG13 VAL A 61 71.268 -1.356 7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 61 74.270 -1.501 7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 61 73.078 -0.559 6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 61 74.518 0.242 7.106 1.00 0.00 H new ATOM 877 N ALA A 62 74.062 2.667 8.934 1.00 0.00 N ATOM 878 CA ALA A 62 75.075 3.670 8.661 1.00 0.00 C ATOM 879 C ALA A 62 76.166 3.095 7.767 1.00 0.00 C ATOM 880 O ALA A 62 76.432 1.897 7.764 1.00 0.00 O ATOM 881 CB ALA A 62 75.666 4.152 9.980 1.00 0.00 C ATOM 0 H ALA A 62 74.004 2.387 9.913 1.00 0.00 H new ATOM 0 HA ALA A 62 74.620 4.512 8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 62 76.428 4.906 9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 62 74.877 4.585 10.595 1.00 0.00 H new ATOM 0 HB3 ALA A 62 76.116 3.310 10.506 1.00 0.00 H new ATOM 887 N LEU A 63 76.767 3.970 6.967 1.00 0.00 N ATOM 888 CA LEU A 63 77.800 3.547 6.026 1.00 0.00 C ATOM 889 C LEU A 63 78.800 2.641 6.729 1.00 0.00 C ATOM 890 O LEU A 63 79.115 1.552 6.249 1.00 0.00 O ATOM 891 CB LEU A 63 78.535 4.779 5.467 1.00 0.00 C ATOM 892 CG LEU A 63 77.728 5.411 4.324 1.00 0.00 C ATOM 893 CD1 LEU A 63 77.676 4.468 3.104 1.00 0.00 C ATOM 894 CD2 LEU A 63 76.310 5.714 4.821 1.00 0.00 C ATOM 0 H LEU A 63 76.559 4.969 6.950 1.00 0.00 H new ATOM 0 HA LEU A 63 77.330 3.002 5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.688 5.510 6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 63 79.522 4.489 5.107 1.00 0.00 H new ATOM 0 HG LEU A 63 78.213 6.336 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 63 77.099 4.936 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.689 4.272 2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.203 3.529 3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 63 75.730 6.163 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 63 75.831 4.789 5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.359 6.406 5.662 1.00 0.00 H new ATOM 906 N GLU A 64 79.298 3.101 7.865 1.00 0.00 N ATOM 907 CA GLU A 64 80.266 2.328 8.624 1.00 0.00 C ATOM 908 C GLU A 64 79.624 1.064 9.179 1.00 0.00 C ATOM 909 O GLU A 64 80.324 0.152 9.619 1.00 0.00 O ATOM 910 CB GLU A 64 80.840 3.177 9.760 1.00 0.00 C ATOM 911 CG GLU A 64 79.790 3.360 10.856 1.00 0.00 C ATOM 912 CD GLU A 64 80.233 4.452 11.822 1.00 0.00 C ATOM 913 OE1 GLU A 64 81.429 4.589 12.021 1.00 0.00 O ATOM 914 OE2 GLU A 64 79.370 5.136 12.346 1.00 0.00 O1- ATOM 0 H GLU A 64 79.050 3.999 8.279 1.00 0.00 H new ATOM 0 HA GLU A 64 81.078 2.036 7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 64 81.728 2.697 10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 64 81.152 4.149 9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 64 78.830 3.623 10.412 1.00 0.00 H new ATOM 0 HG3 GLU A 64 79.646 2.423 11.394 1.00 0.00 H new ATOM 921 N ARG A 65 78.286 1.002 9.168 1.00 0.00 N ATOM 922 CA ARG A 65 77.573 -0.169 9.688 1.00 0.00 C ATOM 923 C ARG A 65 77.226 -1.124 8.558 1.00 0.00 C ATOM 924 O ARG A 65 76.703 -2.213 8.790 1.00 0.00 O ATOM 925 CB ARG A 65 76.275 0.279 10.372 1.00 0.00 C ATOM 926 CG ARG A 65 76.579 1.070 11.653 1.00 0.00 C ATOM 927 CD ARG A 65 76.736 0.094 12.809 1.00 0.00 C ATOM 928 NE ARG A 65 77.186 0.792 14.009 1.00 0.00 N ATOM 929 CZ ARG A 65 76.326 1.424 14.803 1.00 0.00 C ATOM 930 NH1 ARG A 65 75.054 1.435 14.513 1.00 0.00 N ATOM 931 NH2 ARG A 65 76.758 2.038 15.872 1.00 0.00 N1+ ATOM 0 H ARG A 65 77.682 1.741 8.809 1.00 0.00 H new ATOM 0 HA ARG A 65 78.219 -0.677 10.404 1.00 0.00 H new ATOM 0 HB2 ARG A 65 75.692 0.896 9.688 1.00 0.00 H new ATOM 0 HB3 ARG A 65 75.666 -0.592 10.613 1.00 0.00 H new ATOM 0 HG2 ARG A 65 77.490 1.655 11.527 1.00 0.00 H new ATOM 0 HG3 ARG A 65 75.774 1.774 11.861 1.00 0.00 H new ATOM 0 HD2 ARG A 65 75.786 -0.403 13.005 1.00 0.00 H new ATOM 0 HD3 ARG A 65 77.453 -0.683 12.542 1.00 0.00 H new ATOM 0 HE ARG A 65 78.179 0.795 14.243 1.00 0.00 H new ATOM 0 HH11 ARG A 65 74.718 0.958 13.676 1.00 0.00 H new ATOM 0 HH12 ARG A 65 74.396 1.920 15.123 1.00 0.00 H new ATOM 0 HH21 ARG A 65 77.753 2.032 16.096 1.00 0.00 H new ATOM 0 HH22 ARG A 65 76.100 2.523 16.482 1.00 0.00 H new ATOM 945 N CYS A 66 77.492 -0.703 7.340 1.00 0.00 N ATOM 946 CA CYS A 66 77.171 -1.525 6.183 1.00 0.00 C ATOM 947 C CYS A 66 77.830 -2.897 6.277 1.00 0.00 C ATOM 948 O CYS A 66 78.902 -3.034 6.866 1.00 0.00 O ATOM 949 CB CYS A 66 77.662 -0.829 4.922 1.00 0.00 C ATOM 950 SG CYS A 66 76.563 0.544 4.548 1.00 0.00 S ATOM 0 H CYS A 66 77.925 0.194 7.122 1.00 0.00 H new ATOM 0 HA CYS A 66 76.090 -1.661 6.152 1.00 0.00 H new ATOM 0 HB2 CYS A 66 78.681 -0.468 5.063 1.00 0.00 H new ATOM 0 HB3 CYS A 66 77.685 -1.531 4.089 1.00 0.00 H new ATOM 955 N PRO A 67 77.224 -3.910 5.699 1.00 0.00 N ATOM 956 CA PRO A 67 77.782 -5.292 5.714 1.00 0.00 C ATOM 957 C PRO A 67 78.935 -5.443 4.725 1.00 0.00 C ATOM 958 O PRO A 67 79.047 -4.685 3.763 1.00 0.00 O ATOM 959 CB PRO A 67 76.592 -6.151 5.291 1.00 0.00 C ATOM 960 CG PRO A 67 75.818 -5.268 4.374 1.00 0.00 C ATOM 961 CD PRO A 67 75.940 -3.863 4.964 1.00 0.00 C ATOM 0 HA PRO A 67 78.195 -5.568 6.684 1.00 0.00 H new ATOM 0 HB2 PRO A 67 76.916 -7.062 4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 67 75.995 -6.456 6.150 1.00 0.00 H new ATOM 0 HG2 PRO A 67 76.219 -5.305 3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 67 74.775 -5.580 4.315 1.00 0.00 H new ATOM 0 HD2 PRO A 67 75.950 -3.100 4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 67 75.106 -3.632 5.627 1.00 0.00 H new ATOM 969 N CYS A 68 79.781 -6.434 4.968 1.00 0.00 N ATOM 970 CA CYS A 68 80.928 -6.703 4.092 1.00 0.00 C ATOM 971 C CYS A 68 80.695 -7.996 3.322 1.00 0.00 C ATOM 972 O CYS A 68 80.037 -8.899 3.823 1.00 0.00 O ATOM 973 CB CYS A 68 82.186 -6.817 4.952 1.00 0.00 C ATOM 974 SG CYS A 68 81.975 -5.773 6.411 1.00 0.00 S ATOM 0 H CYS A 68 79.701 -7.069 5.762 1.00 0.00 H new ATOM 0 HA CYS A 68 81.050 -5.891 3.375 1.00 0.00 H new ATOM 0 HB2 CYS A 68 82.351 -7.853 5.248 1.00 0.00 H new ATOM 0 HB3 CYS A 68 83.063 -6.504 4.385 1.00 0.00 H new ATOM 979 N PHE A 69 81.218 -8.085 2.098 1.00 0.00 N ATOM 980 CA PHE A 69 81.035 -9.289 1.280 1.00 0.00 C ATOM 981 C PHE A 69 82.384 -9.894 0.890 1.00 0.00 C ATOM 982 O PHE A 69 83.249 -9.212 0.340 1.00 0.00 O ATOM 983 CB PHE A 69 80.260 -8.937 0.001 1.00 0.00 C ATOM 984 CG PHE A 69 79.077 -8.034 0.308 1.00 0.00 C ATOM 985 CD1 PHE A 69 77.873 -8.572 0.790 1.00 0.00 C ATOM 986 CD2 PHE A 69 79.180 -6.651 0.082 1.00 0.00 C ATOM 987 CE1 PHE A 69 76.776 -7.726 1.046 1.00 0.00 C ATOM 988 CE2 PHE A 69 78.083 -5.814 0.332 1.00 0.00 C ATOM 989 CZ PHE A 69 76.886 -6.347 0.813 1.00 0.00 C ATOM 0 H PHE A 69 81.766 -7.348 1.654 1.00 0.00 H new ATOM 0 HA PHE A 69 80.476 -10.016 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 69 80.925 -8.442 -0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 69 79.909 -9.851 -0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 69 77.788 -9.634 0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 69 80.105 -6.232 -0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 69 75.851 -8.139 1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 69 78.165 -4.752 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 69 76.045 -5.698 1.006 1.00 0.00 H new ATOM 999 N HIS A 70 82.539 -11.191 1.164 1.00 0.00 N ATOM 1000 CA HIS A 70 83.771 -11.903 0.823 1.00 0.00 C ATOM 1001 C HIS A 70 83.450 -13.354 0.424 1.00 0.00 C ATOM 1002 O HIS A 70 82.684 -14.043 1.093 1.00 0.00 O ATOM 1003 CB HIS A 70 84.750 -11.875 2.020 1.00 0.00 C ATOM 1004 CG HIS A 70 86.169 -11.792 1.528 1.00 0.00 C ATOM 1005 ND1 HIS A 70 86.717 -12.753 0.697 1.00 0.00 N ATOM 1006 CD2 HIS A 70 87.156 -10.862 1.732 1.00 0.00 C ATOM 1007 CE1 HIS A 70 87.981 -12.383 0.430 1.00 0.00 C ATOM 1008 NE2 HIS A 70 88.300 -11.238 1.035 1.00 0.00 N ATOM 0 H HIS A 70 81.830 -11.767 1.619 1.00 0.00 H new ATOM 0 HA HIS A 70 84.244 -11.406 -0.024 1.00 0.00 H new ATOM 0 HB2 HIS A 70 84.529 -11.021 2.660 1.00 0.00 H new ATOM 0 HB3 HIS A 70 84.620 -12.771 2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 70 87.060 -9.975 2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 70 88.657 -12.945 -0.198 1.00 0.00 H new ATOM 0 HE2 HIS A 70 89.191 -10.744 0.995 1.00 0.00 H new ATOM 1016 N GLN A 71 84.047 -13.818 -0.663 1.00 0.00 N ATOM 1017 CA GLN A 71 83.815 -15.188 -1.118 1.00 0.00 C ATOM 1018 C GLN A 71 82.325 -15.495 -1.269 1.00 0.00 C ATOM 1019 O GLN A 71 81.899 -16.630 -1.050 1.00 0.00 O ATOM 1020 CB GLN A 71 84.423 -16.172 -0.112 1.00 0.00 C ATOM 1021 CG GLN A 71 85.949 -16.049 -0.116 1.00 0.00 C ATOM 1022 CD GLN A 71 86.515 -16.536 -1.448 1.00 0.00 C ATOM 1023 OE1 GLN A 71 86.200 -17.641 -1.889 1.00 0.00 O ATOM 1024 NE2 GLN A 71 87.337 -15.775 -2.116 1.00 0.00 N ATOM 0 H GLN A 71 84.689 -13.277 -1.243 1.00 0.00 H new ATOM 0 HA GLN A 71 84.287 -15.294 -2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 71 84.036 -15.969 0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 71 84.131 -17.191 -0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 71 86.238 -15.011 0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 71 86.370 -16.634 0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 71 87.597 -14.860 -1.749 1.00 0.00 H new ATOM 0 HE22 GLN A 71 87.720 -16.095 -3.005 1.00 0.00 H new ATOM 1033 N GLY A 72 81.529 -14.500 -1.665 1.00 0.00 N ATOM 1034 CA GLY A 72 80.095 -14.708 -1.861 1.00 0.00 C ATOM 1035 C GLY A 72 79.325 -14.700 -0.543 1.00 0.00 C ATOM 1036 O GLY A 72 78.095 -14.753 -0.536 1.00 0.00 O ATOM 0 H GLY A 72 81.850 -13.551 -1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 72 79.703 -13.928 -2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 72 79.934 -15.659 -2.368 1.00 0.00 H new ATOM 1040 N LYS A 73 80.047 -14.632 0.571 1.00 0.00 N ATOM 1041 CA LYS A 73 79.419 -14.617 1.897 1.00 0.00 C ATOM 1042 C LYS A 73 79.420 -13.199 2.453 1.00 0.00 C ATOM 1043 O LYS A 73 80.297 -12.398 2.139 1.00 0.00 O ATOM 1044 CB LYS A 73 80.197 -15.548 2.848 1.00 0.00 C ATOM 1045 CG LYS A 73 79.613 -16.961 2.810 1.00 0.00 C ATOM 1046 CD LYS A 73 79.765 -17.537 1.407 1.00 0.00 C ATOM 1047 CE LYS A 73 79.291 -18.985 1.409 1.00 0.00 C ATOM 1048 NZ LYS A 73 77.822 -19.022 1.659 1.00 0.00 N1+ ATOM 0 H LYS A 73 81.066 -14.586 0.587 1.00 0.00 H new ATOM 0 HA LYS A 73 78.390 -14.966 1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 73 81.248 -15.575 2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 73 80.154 -15.157 3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 73 80.124 -17.597 3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 73 78.561 -16.939 3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.183 -16.952 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 73 80.806 -17.482 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 73 79.521 -19.456 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.817 -19.551 2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 77.449 -19.957 1.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 77.637 -18.845 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 77.354 -18.290 1.087 1.00 0.00 H new ATOM 1062 N GLU A 74 78.402 -12.879 3.256 1.00 0.00 N ATOM 1063 CA GLU A 74 78.275 -11.543 3.831 1.00 0.00 C ATOM 1064 C GLU A 74 78.745 -11.526 5.284 1.00 0.00 C ATOM 1065 O GLU A 74 78.286 -12.320 6.106 1.00 0.00 O ATOM 1066 CB GLU A 74 76.815 -11.086 3.755 1.00 0.00 C ATOM 1067 CG GLU A 74 76.697 -9.637 4.226 1.00 0.00 C ATOM 1068 CD GLU A 74 75.243 -9.188 4.150 1.00 0.00 C ATOM 1069 OE1 GLU A 74 74.473 -9.845 3.468 1.00 0.00 O ATOM 1070 OE2 GLU A 74 74.916 -8.201 4.787 1.00 0.00 O1- ATOM 0 H GLU A 74 77.658 -13.525 3.520 1.00 0.00 H new ATOM 0 HA GLU A 74 78.904 -10.861 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 74 76.450 -11.176 2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 74 76.191 -11.730 4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 74 77.062 -9.546 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 74 77.320 -8.991 3.607 1.00 0.00 H new ATOM 1077 N TYR A 75 79.659 -10.603 5.590 1.00 0.00 N ATOM 1078 CA TYR A 75 80.198 -10.455 6.944 1.00 0.00 C ATOM 1079 C TYR A 75 79.864 -9.081 7.492 1.00 0.00 C ATOM 1080 O TYR A 75 79.226 -8.274 6.815 1.00 0.00 O ATOM 1081 CB TYR A 75 81.715 -10.624 6.948 1.00 0.00 C ATOM 1082 CG TYR A 75 82.078 -11.834 6.145 1.00 0.00 C ATOM 1083 CD1 TYR A 75 82.074 -11.754 4.757 1.00 0.00 C ATOM 1084 CD2 TYR A 75 82.418 -13.031 6.782 1.00 0.00 C ATOM 1085 CE1 TYR A 75 82.409 -12.867 3.996 1.00 0.00 C ATOM 1086 CE2 TYR A 75 82.754 -14.151 6.018 1.00 0.00 C ATOM 1087 CZ TYR A 75 82.751 -14.070 4.624 1.00 0.00 C ATOM 1088 OH TYR A 75 83.089 -15.174 3.869 1.00 0.00 O ATOM 0 H TYR A 75 80.043 -9.943 4.914 1.00 0.00 H new ATOM 0 HA TYR A 75 79.747 -11.227 7.567 1.00 0.00 H new ATOM 0 HB2 TYR A 75 82.193 -9.738 6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 75 82.078 -10.729 7.970 1.00 0.00 H new ATOM 0 HD1 TYR A 75 81.810 -10.827 4.270 1.00 0.00 H new ATOM 0 HD2 TYR A 75 82.421 -13.090 7.860 1.00 0.00 H new ATOM 0 HE1 TYR A 75 82.405 -12.804 2.918 1.00 0.00 H new ATOM 0 HE2 TYR A 75 83.016 -15.079 6.505 1.00 0.00 H new ATOM 0 HH TYR A 75 83.147 -14.919 2.925 1.00 0.00 H new ATOM 1098 N ALA A 76 80.275 -8.827 8.729 1.00 0.00 N ATOM 1099 CA ALA A 76 79.992 -7.552 9.384 1.00 0.00 C ATOM 1100 C ALA A 76 81.285 -6.776 9.676 1.00 0.00 C ATOM 1101 O ALA A 76 82.382 -7.303 9.488 1.00 0.00 O ATOM 1102 CB ALA A 76 79.253 -7.850 10.688 1.00 0.00 C ATOM 0 H ALA A 76 80.805 -9.486 9.300 1.00 0.00 H new ATOM 0 HA ALA A 76 79.383 -6.931 8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 76 79.028 -6.915 11.200 1.00 0.00 H new ATOM 0 HB2 ALA A 76 78.324 -8.376 10.468 1.00 0.00 H new ATOM 0 HB3 ALA A 76 79.879 -8.472 11.327 1.00 0.00 H new ATOM 1108 N PRO A 77 81.181 -5.548 10.149 1.00 0.00 N ATOM 1109 CA PRO A 77 82.381 -4.718 10.483 1.00 0.00 C ATOM 1110 C PRO A 77 83.189 -5.326 11.635 1.00 0.00 C ATOM 1111 O PRO A 77 82.621 -5.779 12.628 1.00 0.00 O ATOM 1112 CB PRO A 77 81.788 -3.347 10.891 1.00 0.00 C ATOM 1113 CG PRO A 77 80.381 -3.353 10.384 1.00 0.00 C ATOM 1114 CD PRO A 77 79.932 -4.809 10.417 1.00 0.00 C ATOM 0 HA PRO A 77 83.076 -4.648 9.646 1.00 0.00 H new ATOM 0 HB2 PRO A 77 81.815 -3.214 11.973 1.00 0.00 H new ATOM 0 HB3 PRO A 77 82.359 -2.527 10.455 1.00 0.00 H new ATOM 0 HG2 PRO A 77 79.738 -2.732 11.008 1.00 0.00 H new ATOM 0 HG3 PRO A 77 80.329 -2.951 9.372 1.00 0.00 H new ATOM 0 HD2 PRO A 77 79.504 -5.077 11.383 1.00 0.00 H new ATOM 0 HD3 PRO A 77 79.172 -5.014 9.663 1.00 0.00 H new ATOM 1122 N GLY A 78 84.513 -5.329 11.499 1.00 0.00 N ATOM 1123 CA GLY A 78 85.373 -5.877 12.543 1.00 0.00 C ATOM 1124 C GLY A 78 85.416 -7.397 12.461 1.00 0.00 C ATOM 1125 O GLY A 78 86.085 -8.055 13.257 1.00 0.00 O ATOM 0 H GLY A 78 85.008 -4.963 10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 78 86.380 -5.474 12.440 1.00 0.00 H new ATOM 0 HA3 GLY A 78 85.005 -5.571 13.522 1.00 0.00 H new ATOM 1129 N GLU A 79 84.690 -7.942 11.495 1.00 0.00 N ATOM 1130 CA GLU A 79 84.638 -9.392 11.311 1.00 0.00 C ATOM 1131 C GLU A 79 85.857 -9.850 10.525 1.00 0.00 C ATOM 1132 O GLU A 79 86.252 -9.211 9.558 1.00 0.00 O ATOM 1133 CB GLU A 79 83.353 -9.768 10.568 1.00 0.00 C ATOM 1134 CG GLU A 79 83.034 -11.245 10.796 1.00 0.00 C ATOM 1135 CD GLU A 79 82.576 -11.462 12.234 1.00 0.00 C ATOM 1136 OE1 GLU A 79 82.399 -10.479 12.934 1.00 0.00 O ATOM 1137 OE2 GLU A 79 82.407 -12.609 12.614 1.00 0.00 O1- ATOM 0 H GLU A 79 84.131 -7.409 10.829 1.00 0.00 H new ATOM 0 HA GLU A 79 84.640 -9.885 12.283 1.00 0.00 H new ATOM 0 HB2 GLU A 79 82.526 -9.150 10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 79 83.468 -9.572 9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 79 82.256 -11.569 10.105 1.00 0.00 H new ATOM 0 HG3 GLU A 79 83.916 -11.852 10.591 1.00 0.00 H new ATOM 1144 N THR A 80 86.489 -10.929 10.997 1.00 0.00 N ATOM 1145 CA THR A 80 87.723 -11.432 10.381 1.00 0.00 C ATOM 1146 C THR A 80 87.481 -12.645 9.520 1.00 0.00 C ATOM 1147 O THR A 80 86.604 -13.465 9.786 1.00 0.00 O ATOM 1148 CB THR A 80 88.732 -11.819 11.481 1.00 0.00 C ATOM 1149 OG1 THR A 80 88.659 -13.219 11.734 1.00 0.00 O ATOM 1150 CG2 THR A 80 88.416 -11.076 12.772 1.00 0.00 C ATOM 0 H THR A 80 86.169 -11.470 11.800 1.00 0.00 H new ATOM 0 HA THR A 80 88.112 -10.632 9.751 1.00 0.00 H new ATOM 0 HB THR A 80 89.732 -11.552 11.139 1.00 0.00 H new ATOM 0 HG1 THR A 80 89.303 -13.459 12.432 1.00 0.00 H new ATOM 0 HG21 THR A 80 89.136 -11.359 13.540 1.00 0.00 H new ATOM 0 HG22 THR A 80 88.475 -10.002 12.597 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.411 -11.335 13.104 1.00 0.00 H new ATOM 1158 N VAL A 81 88.309 -12.751 8.490 1.00 0.00 N ATOM 1159 CA VAL A 81 88.241 -13.871 7.571 1.00 0.00 C ATOM 1160 C VAL A 81 89.642 -14.277 7.198 1.00 0.00 C ATOM 1161 O VAL A 81 90.544 -13.438 7.182 1.00 0.00 O ATOM 1162 CB VAL A 81 87.466 -13.494 6.308 1.00 0.00 C ATOM 1163 CG1 VAL A 81 86.104 -12.945 6.708 1.00 0.00 C ATOM 1164 CG2 VAL A 81 88.223 -12.418 5.525 1.00 0.00 C ATOM 0 H VAL A 81 89.037 -12.071 8.272 1.00 0.00 H new ATOM 0 HA VAL A 81 87.722 -14.697 8.057 1.00 0.00 H new ATOM 0 HB VAL A 81 87.351 -14.379 5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 81 85.544 -12.673 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 81 85.554 -13.705 7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 81 86.237 -12.063 7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 81 87.661 -12.158 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 81 88.343 -11.532 6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 81 89.205 -12.797 5.241 1.00 0.00 H new ATOM 1174 N LYS A 82 89.851 -15.560 6.907 1.00 0.00 N ATOM 1175 CA LYS A 82 91.171 -16.043 6.554 1.00 0.00 C ATOM 1176 C LYS A 82 91.231 -16.330 5.059 1.00 0.00 C ATOM 1177 O LYS A 82 90.342 -16.979 4.508 1.00 0.00 O ATOM 1178 CB LYS A 82 91.439 -17.322 7.340 1.00 0.00 C ATOM 1179 CG LYS A 82 92.897 -17.775 7.167 1.00 0.00 C ATOM 1180 CD LYS A 82 93.850 -16.766 7.830 1.00 0.00 C ATOM 1181 CE LYS A 82 95.184 -17.440 8.159 1.00 0.00 C ATOM 1182 NZ LYS A 82 96.120 -16.431 8.734 1.00 0.00 N1+ ATOM 0 H LYS A 82 89.123 -16.275 6.910 1.00 0.00 H new ATOM 0 HA LYS A 82 91.924 -15.292 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.228 -17.156 8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 82 90.766 -18.110 7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.034 -18.761 7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 82 93.133 -17.867 6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 82 94.016 -15.919 7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.399 -16.372 8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 82 95.028 -18.253 8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 82 95.614 -17.880 7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 96.844 -16.914 9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 96.579 -15.904 7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 95.590 -15.770 9.337 1.00 0.00 H new ATOM 1196 N ILE A 83 92.281 -15.841 4.407 1.00 0.00 N ATOM 1197 CA ILE A 83 92.454 -16.046 2.966 1.00 0.00 C ATOM 1198 C ILE A 83 93.869 -16.547 2.669 1.00 0.00 C ATOM 1199 O ILE A 83 94.767 -15.760 2.375 1.00 0.00 O ATOM 1200 CB ILE A 83 92.211 -14.723 2.229 1.00 0.00 C ATOM 1201 CG1 ILE A 83 90.851 -14.147 2.639 1.00 0.00 C ATOM 1202 CG2 ILE A 83 92.208 -14.971 0.718 1.00 0.00 C ATOM 1203 CD1 ILE A 83 90.718 -12.714 2.117 1.00 0.00 C ATOM 0 H ILE A 83 93.025 -15.301 4.849 1.00 0.00 H new ATOM 0 HA ILE A 83 91.737 -16.793 2.625 1.00 0.00 H new ATOM 0 HB ILE A 83 93.003 -14.020 2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 83 90.048 -14.766 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 83 90.752 -14.159 3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 83 92.035 -14.030 0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 83 93.171 -15.383 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 83 91.416 -15.676 0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 83 89.750 -12.308 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 83 91.512 -12.098 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 83 90.797 -12.714 1.030 1.00 0.00 H new ATOM 1215 N GLY A 84 94.053 -17.863 2.736 1.00 0.00 N ATOM 1216 CA GLY A 84 95.358 -18.466 2.462 1.00 0.00 C ATOM 1217 C GLY A 84 96.469 -17.805 3.274 1.00 0.00 C ATOM 1218 O GLY A 84 97.135 -16.892 2.787 1.00 0.00 O ATOM 0 H GLY A 84 93.320 -18.531 2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 84 95.322 -19.531 2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 84 95.583 -18.378 1.399 1.00 0.00 H new ATOM 1222 N CYS A 85 96.667 -18.282 4.509 1.00 0.00 N ATOM 1223 CA CYS A 85 97.703 -17.749 5.404 1.00 0.00 C ATOM 1224 C CYS A 85 97.420 -16.296 5.780 1.00 0.00 C ATOM 1225 O CYS A 85 97.663 -15.880 6.912 1.00 0.00 O ATOM 1226 CB CYS A 85 99.107 -17.894 4.760 1.00 0.00 C ATOM 1227 SG CYS A 85 100.217 -16.585 5.355 1.00 0.00 S ATOM 0 H CYS A 85 96.119 -19.041 4.914 1.00 0.00 H new ATOM 0 HA CYS A 85 97.686 -18.334 6.324 1.00 0.00 H new ATOM 0 HB2 CYS A 85 99.525 -18.871 5.001 1.00 0.00 H new ATOM 0 HB3 CYS A 85 99.023 -17.842 3.674 1.00 0.00 H new ATOM 1232 N ASN A 86 96.911 -15.537 4.830 1.00 0.00 N ATOM 1233 CA ASN A 86 96.599 -14.132 5.058 1.00 0.00 C ATOM 1234 C ASN A 86 95.179 -13.990 5.584 1.00 0.00 C ATOM 1235 O ASN A 86 94.276 -14.673 5.125 1.00 0.00 O ATOM 1236 CB ASN A 86 96.739 -13.359 3.745 1.00 0.00 C ATOM 1237 CG ASN A 86 96.462 -11.879 3.975 1.00 0.00 C ATOM 1238 OD1 ASN A 86 95.583 -11.527 4.760 1.00 0.00 O ATOM 1239 ND2 ASN A 86 97.164 -10.988 3.330 1.00 0.00 N ATOM 0 H ASN A 86 96.702 -15.867 3.888 1.00 0.00 H new ATOM 0 HA ASN A 86 97.292 -13.728 5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 86 97.743 -13.490 3.342 1.00 0.00 H new ATOM 0 HB3 ASN A 86 96.044 -13.756 3.005 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.985 -9.994 3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.892 -11.285 2.680 1.00 0.00 H new ATOM 1246 N THR A 87 94.986 -13.076 6.533 1.00 0.00 N ATOM 1247 CA THR A 87 93.653 -12.831 7.099 1.00 0.00 C ATOM 1248 C THR A 87 93.315 -11.369 7.018 1.00 0.00 C ATOM 1249 O THR A 87 94.198 -10.516 6.978 1.00 0.00 O ATOM 1250 CB THR A 87 93.557 -13.319 8.545 1.00 0.00 C ATOM 1251 OG1 THR A 87 92.205 -13.631 8.846 1.00 0.00 O ATOM 1252 CG2 THR A 87 94.055 -12.258 9.528 1.00 0.00 C ATOM 0 H THR A 87 95.726 -12.495 6.926 1.00 0.00 H new ATOM 0 HA THR A 87 92.932 -13.398 6.510 1.00 0.00 H new ATOM 0 HB THR A 87 94.186 -14.203 8.647 1.00 0.00 H new ATOM 0 HG1 THR A 87 91.641 -13.420 8.073 1.00 0.00 H new ATOM 0 HG21 THR A 87 93.973 -12.638 10.546 1.00 0.00 H new ATOM 0 HG22 THR A 87 95.097 -12.022 9.312 1.00 0.00 H new ATOM 0 HG23 THR A 87 93.451 -11.356 9.427 1.00 0.00 H new ATOM 1260 N CYS A 88 92.021 -11.095 6.949 1.00 0.00 N ATOM 1261 CA CYS A 88 91.561 -9.725 6.811 1.00 0.00 C ATOM 1262 C CYS A 88 90.348 -9.448 7.662 1.00 0.00 C ATOM 1263 O CYS A 88 89.594 -10.352 8.007 1.00 0.00 O ATOM 1264 CB CYS A 88 91.224 -9.476 5.333 1.00 0.00 C ATOM 1265 SG CYS A 88 92.382 -10.404 4.291 1.00 0.00 S ATOM 0 H CYS A 88 91.280 -11.795 6.986 1.00 0.00 H new ATOM 0 HA CYS A 88 92.352 -9.056 7.149 1.00 0.00 H new ATOM 0 HB2 CYS A 88 90.200 -9.786 5.124 1.00 0.00 H new ATOM 0 HB3 CYS A 88 91.287 -8.411 5.108 1.00 0.00 H new ATOM 1270 N VAL A 89 90.162 -8.168 7.972 1.00 0.00 N ATOM 1271 CA VAL A 89 89.025 -7.734 8.766 1.00 0.00 C ATOM 1272 C VAL A 89 88.307 -6.591 8.065 1.00 0.00 C ATOM 1273 O VAL A 89 88.937 -5.681 7.524 1.00 0.00 O ATOM 1274 CB VAL A 89 89.478 -7.293 10.170 1.00 0.00 C ATOM 1275 CG1 VAL A 89 90.052 -5.877 10.137 1.00 0.00 C ATOM 1276 CG2 VAL A 89 88.288 -7.310 11.114 1.00 0.00 C ATOM 0 H VAL A 89 90.787 -7.415 7.683 1.00 0.00 H new ATOM 0 HA VAL A 89 88.338 -8.574 8.874 1.00 0.00 H new ATOM 0 HB VAL A 89 90.249 -7.984 10.513 1.00 0.00 H new ATOM 0 HG11 VAL A 89 90.365 -5.588 11.140 1.00 0.00 H new ATOM 0 HG12 VAL A 89 90.911 -5.848 9.466 1.00 0.00 H new ATOM 0 HG13 VAL A 89 89.290 -5.184 9.781 1.00 0.00 H new ATOM 0 HG21 VAL A 89 88.608 -6.998 12.108 1.00 0.00 H new ATOM 0 HG22 VAL A 89 87.523 -6.626 10.747 1.00 0.00 H new ATOM 0 HG23 VAL A 89 87.878 -8.319 11.165 1.00 0.00 H new ATOM 1286 N CYS A 90 86.987 -6.641 8.090 1.00 0.00 N ATOM 1287 CA CYS A 90 86.175 -5.611 7.472 1.00 0.00 C ATOM 1288 C CYS A 90 86.270 -4.312 8.246 1.00 0.00 C ATOM 1289 O CYS A 90 85.807 -4.210 9.382 1.00 0.00 O ATOM 1290 CB CYS A 90 84.730 -6.066 7.445 1.00 0.00 C ATOM 1291 SG CYS A 90 83.744 -4.844 6.566 1.00 0.00 S ATOM 0 H CYS A 90 86.454 -7.388 8.534 1.00 0.00 H new ATOM 0 HA CYS A 90 86.540 -5.442 6.459 1.00 0.00 H new ATOM 0 HB2 CYS A 90 84.650 -7.036 6.955 1.00 0.00 H new ATOM 0 HB3 CYS A 90 84.356 -6.191 8.461 1.00 0.00 H new ATOM 1296 N ARG A 91 86.875 -3.320 7.616 1.00 0.00 N ATOM 1297 CA ARG A 91 87.040 -2.014 8.228 1.00 0.00 C ATOM 1298 C ARG A 91 86.842 -0.939 7.166 1.00 0.00 C ATOM 1299 O ARG A 91 87.505 -0.953 6.132 1.00 0.00 O ATOM 1300 CB ARG A 91 88.453 -1.927 8.822 1.00 0.00 C ATOM 1301 CG ARG A 91 88.525 -0.820 9.874 1.00 0.00 C ATOM 1302 CD ARG A 91 89.851 -0.943 10.632 1.00 0.00 C ATOM 1303 NE ARG A 91 89.907 -2.212 11.350 1.00 0.00 N ATOM 1304 CZ ARG A 91 89.134 -2.444 12.409 1.00 0.00 C ATOM 1305 NH1 ARG A 91 88.292 -1.536 12.817 1.00 0.00 N ATOM 1306 NH2 ARG A 91 89.217 -3.585 13.037 1.00 0.00 N1+ ATOM 0 H ARG A 91 87.262 -3.396 6.675 1.00 0.00 H new ATOM 0 HA ARG A 91 86.307 -1.865 9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 91 88.724 -2.882 9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 91 89.175 -1.731 8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 91 88.452 0.158 9.398 1.00 0.00 H new ATOM 0 HG3 ARG A 91 87.686 -0.902 10.565 1.00 0.00 H new ATOM 0 HD2 ARG A 91 90.685 -0.875 9.933 1.00 0.00 H new ATOM 0 HD3 ARG A 91 89.955 -0.115 11.334 1.00 0.00 H new ATOM 0 HE ARG A 91 90.552 -2.936 11.034 1.00 0.00 H new ATOM 0 HH11 ARG A 91 88.224 -0.645 12.325 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.701 -1.716 13.629 1.00 0.00 H new ATOM 0 HH21 ARG A 91 89.873 -4.297 12.716 1.00 0.00 H new ATOM 0 HH22 ARG A 91 88.626 -3.765 13.848 1.00 0.00 H new ATOM 1320 N ASP A 92 85.897 -0.036 7.419 1.00 0.00 N ATOM 1321 CA ASP A 92 85.578 1.026 6.470 1.00 0.00 C ATOM 1322 C ASP A 92 85.071 0.431 5.159 1.00 0.00 C ATOM 1323 O ASP A 92 85.552 0.771 4.077 1.00 0.00 O ATOM 1324 CB ASP A 92 86.791 1.928 6.214 1.00 0.00 C ATOM 1325 CG ASP A 92 87.091 2.761 7.456 1.00 0.00 C ATOM 1326 OD1 ASP A 92 86.232 2.831 8.319 1.00 0.00 O ATOM 1327 OD2 ASP A 92 88.175 3.315 7.523 1.00 0.00 O1- ATOM 0 H ASP A 92 85.340 -0.019 8.273 1.00 0.00 H new ATOM 0 HA ASP A 92 84.791 1.641 6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 92 87.658 1.321 5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 92 86.595 2.583 5.365 1.00 0.00 H new ATOM 1332 N ARG A 93 84.083 -0.453 5.273 1.00 0.00 N ATOM 1333 CA ARG A 93 83.490 -1.089 4.101 1.00 0.00 C ATOM 1334 C ARG A 93 84.554 -1.739 3.227 1.00 0.00 C ATOM 1335 O ARG A 93 84.296 -2.073 2.071 1.00 0.00 O ATOM 1336 CB ARG A 93 82.730 -0.047 3.282 1.00 0.00 C ATOM 1337 CG ARG A 93 81.460 0.366 4.023 1.00 0.00 C ATOM 1338 CD ARG A 93 80.793 1.516 3.268 1.00 0.00 C ATOM 1339 NE ARG A 93 80.428 1.084 1.925 1.00 0.00 N ATOM 1340 CZ ARG A 93 80.231 1.962 0.948 1.00 0.00 C ATOM 1341 NH1 ARG A 93 80.347 3.240 1.184 1.00 0.00 N ATOM 1342 NH2 ARG A 93 79.926 1.544 -0.250 1.00 0.00 N1+ ATOM 0 H ARG A 93 83.678 -0.744 6.162 1.00 0.00 H new ATOM 0 HA ARG A 93 82.807 -1.865 4.446 1.00 0.00 H new ATOM 0 HB2 ARG A 93 83.361 0.825 3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 93 82.475 -0.455 2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 93 80.777 -0.480 4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 93 81.701 0.674 5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 93 79.905 1.849 3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 93 81.471 2.368 3.213 1.00 0.00 H new ATOM 0 HE ARG A 93 80.322 0.088 1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 93 80.589 3.566 2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 93 80.195 3.913 0.433 1.00 0.00 H new ATOM 0 HH21 ARG A 93 79.839 0.545 -0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 93 79.774 2.217 -1.002 1.00 0.00 H new ATOM 1356 N LYS A 94 85.747 -1.918 3.780 1.00 0.00 N ATOM 1357 CA LYS A 94 86.848 -2.532 3.039 1.00 0.00 C ATOM 1358 C LYS A 94 87.516 -3.586 3.895 1.00 0.00 C ATOM 1359 O LYS A 94 87.375 -3.592 5.116 1.00 0.00 O ATOM 1360 CB LYS A 94 87.873 -1.472 2.639 1.00 0.00 C ATOM 1361 CG LYS A 94 87.295 -0.601 1.528 1.00 0.00 C ATOM 1362 CD LYS A 94 88.321 0.453 1.120 1.00 0.00 C ATOM 1363 CE LYS A 94 87.736 1.316 0.008 1.00 0.00 C ATOM 1364 NZ LYS A 94 87.630 0.511 -1.242 1.00 0.00 N1+ ATOM 0 H LYS A 94 85.979 -1.649 4.736 1.00 0.00 H new ATOM 0 HA LYS A 94 86.448 -2.996 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 94 88.131 -0.857 3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 94 88.793 -1.949 2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 94 87.030 -1.217 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 94 86.379 -0.119 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 94 88.585 1.072 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 94 89.238 -0.027 0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 94 86.753 1.686 0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 94 88.368 2.188 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 87.528 1.148 -2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 88.488 -0.065 -1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 86.799 -0.112 -1.184 1.00 0.00 H new ATOM 1378 N TRP A 95 88.252 -4.474 3.246 1.00 0.00 N ATOM 1379 CA TRP A 95 88.959 -5.542 3.949 1.00 0.00 C ATOM 1380 C TRP A 95 90.415 -5.140 4.147 1.00 0.00 C ATOM 1381 O TRP A 95 91.082 -4.706 3.208 1.00 0.00 O ATOM 1382 CB TRP A 95 88.874 -6.833 3.136 1.00 0.00 C ATOM 1383 CG TRP A 95 87.494 -7.410 3.243 1.00 0.00 C ATOM 1384 CD1 TRP A 95 86.528 -7.302 2.298 1.00 0.00 C ATOM 1385 CD2 TRP A 95 86.914 -8.188 4.333 1.00 0.00 C ATOM 1386 NE1 TRP A 95 85.394 -7.966 2.738 1.00 0.00 N ATOM 1387 CE2 TRP A 95 85.585 -8.531 3.984 1.00 0.00 C ATOM 1388 CE3 TRP A 95 87.407 -8.628 5.578 1.00 0.00 C ATOM 1389 CZ2 TRP A 95 84.778 -9.285 4.835 1.00 0.00 C ATOM 1390 CZ3 TRP A 95 86.594 -9.388 6.434 1.00 0.00 C ATOM 1391 CH2 TRP A 95 85.284 -9.716 6.064 1.00 0.00 C ATOM 0 H TRP A 95 88.378 -4.480 2.234 1.00 0.00 H new ATOM 0 HA TRP A 95 88.500 -5.707 4.924 1.00 0.00 H new ATOM 0 HB2 TRP A 95 89.115 -6.633 2.092 1.00 0.00 H new ATOM 0 HB3 TRP A 95 89.608 -7.552 3.500 1.00 0.00 H new ATOM 0 HD1 TRP A 95 86.626 -6.783 1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 95 84.525 -8.030 2.207 1.00 0.00 H new ATOM 0 HE3 TRP A 95 88.415 -8.379 5.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 83.768 -9.534 4.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 86.982 -9.722 7.385 1.00 0.00 H new ATOM 0 HH2 TRP A 95 84.665 -10.302 6.728 1.00 0.00 H new ATOM 1402 N ASN A 96 90.910 -5.306 5.370 1.00 0.00 N ATOM 1403 CA ASN A 96 92.302 -4.979 5.686 1.00 0.00 C ATOM 1404 C ASN A 96 93.076 -6.263 5.938 1.00 0.00 C ATOM 1405 O ASN A 96 93.054 -6.808 7.040 1.00 0.00 O ATOM 1406 CB ASN A 96 92.374 -4.086 6.926 1.00 0.00 C ATOM 1407 CG ASN A 96 91.827 -2.698 6.616 1.00 0.00 C ATOM 1408 OD1 ASN A 96 91.575 -1.913 7.530 1.00 0.00 O ATOM 1409 ND2 ASN A 96 91.621 -2.345 5.376 1.00 0.00 N ATOM 0 H ASN A 96 90.371 -5.664 6.159 1.00 0.00 H new ATOM 0 HA ASN A 96 92.739 -4.443 4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 96 91.803 -4.535 7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 96 93.407 -4.009 7.266 1.00 0.00 H new ATOM 0 HD21 ASN A 96 91.251 -1.418 5.164 1.00 0.00 H new ATOM 0 HD22 ASN A 96 91.830 -2.996 4.619 1.00 0.00 H new ATOM 1416 N CYS A 97 93.748 -6.749 4.902 1.00 0.00 N ATOM 1417 CA CYS A 97 94.511 -7.983 5.009 1.00 0.00 C ATOM 1418 C CYS A 97 95.862 -7.735 5.661 1.00 0.00 C ATOM 1419 O CYS A 97 96.532 -6.743 5.374 1.00 0.00 O ATOM 1420 CB CYS A 97 94.698 -8.585 3.618 1.00 0.00 C ATOM 1421 SG CYS A 97 93.079 -9.054 2.961 1.00 0.00 S ATOM 0 H CYS A 97 93.779 -6.309 3.982 1.00 0.00 H new ATOM 0 HA CYS A 97 93.960 -8.682 5.638 1.00 0.00 H new ATOM 0 HB2 CYS A 97 95.179 -7.864 2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 97 95.351 -9.456 3.669 1.00 0.00 H new ATOM 1426 N THR A 98 96.255 -8.652 6.542 1.00 0.00 N ATOM 1427 CA THR A 98 97.533 -8.540 7.247 1.00 0.00 C ATOM 1428 C THR A 98 98.681 -8.527 6.276 1.00 0.00 C ATOM 1429 O THR A 98 99.549 -7.653 6.293 1.00 0.00 O ATOM 1430 CB THR A 98 97.701 -9.738 8.181 1.00 0.00 C ATOM 1431 OG1 THR A 98 99.009 -9.731 8.732 1.00 0.00 O ATOM 1432 CG2 THR A 98 97.466 -11.065 7.440 1.00 0.00 C ATOM 0 H THR A 98 95.710 -9.479 6.785 1.00 0.00 H new ATOM 0 HA THR A 98 97.533 -7.608 7.812 1.00 0.00 H new ATOM 0 HB THR A 98 96.959 -9.655 8.975 1.00 0.00 H new ATOM 0 HG1 THR A 98 98.952 -9.672 9.709 1.00 0.00 H new ATOM 0 HG21 THR A 98 97.593 -11.896 8.133 1.00 0.00 H new ATOM 0 HG22 THR A 98 96.454 -11.082 7.035 1.00 0.00 H new ATOM 0 HG23 THR A 98 98.184 -11.159 6.625 1.00 0.00 H new ATOM 1440 N ASP A 99 98.662 -9.528 5.459 1.00 0.00 N ATOM 1441 CA ASP A 99 99.692 -9.723 4.451 1.00 0.00 C ATOM 1442 C ASP A 99 101.060 -9.890 5.112 1.00 0.00 C ATOM 1443 O ASP A 99 102.092 -9.591 4.510 1.00 0.00 O ATOM 1444 CB ASP A 99 99.724 -8.532 3.490 1.00 0.00 C ATOM 1445 CG ASP A 99 100.617 -8.846 2.295 1.00 0.00 C ATOM 1446 OD1 ASP A 99 101.258 -9.883 2.315 1.00 0.00 O ATOM 1447 OD2 ASP A 99 100.649 -8.042 1.378 1.00 0.00 O1- ATOM 0 H ASP A 99 97.936 -10.245 5.459 1.00 0.00 H new ATOM 0 HA ASP A 99 99.458 -10.628 3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 99 98.714 -8.303 3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 99 100.094 -7.647 4.008 1.00 0.00 H new ATOM 1452 N HIS A 100 101.058 -10.372 6.357 1.00 0.00 N ATOM 1453 CA HIS A 100 102.300 -10.586 7.112 1.00 0.00 C ATOM 1454 C HIS A 100 102.645 -12.075 7.172 1.00 0.00 C ATOM 1455 O HIS A 100 101.846 -12.921 6.767 1.00 0.00 O ATOM 1456 CB HIS A 100 102.157 -10.018 8.535 1.00 0.00 C ATOM 1457 CG HIS A 100 101.346 -10.953 9.400 1.00 0.00 C ATOM 1458 ND1 HIS A 100 101.465 -10.970 10.782 1.00 0.00 N ATOM 1459 CD2 HIS A 100 100.414 -11.911 9.094 1.00 0.00 C ATOM 1460 CE1 HIS A 100 100.626 -11.913 11.249 1.00 0.00 C ATOM 1461 NE2 HIS A 100 99.961 -12.516 10.262 1.00 0.00 N ATOM 0 H HIS A 100 100.210 -10.622 6.866 1.00 0.00 H new ATOM 0 HA HIS A 100 103.110 -10.065 6.601 1.00 0.00 H new ATOM 0 HB2 HIS A 100 103.143 -9.871 8.975 1.00 0.00 H new ATOM 0 HB3 HIS A 100 101.676 -9.041 8.496 1.00 0.00 H new ATOM 0 HD2 HIS A 100 100.082 -12.159 8.097 1.00 0.00 H new ATOM 0 HE1 HIS A 100 100.506 -12.152 12.295 1.00 0.00 H new ATOM 0 HE2 HIS A 100 99.269 -13.261 10.346 1.00 0.00 H new ATOM 1469 N VAL A 101 103.839 -12.387 7.675 1.00 0.00 N ATOM 1470 CA VAL A 101 104.283 -13.776 7.786 1.00 0.00 C ATOM 1471 C VAL A 101 103.126 -14.681 8.213 1.00 0.00 C ATOM 1472 O VAL A 101 102.215 -14.244 8.916 1.00 0.00 O ATOM 1473 CB VAL A 101 105.414 -13.878 8.811 1.00 0.00 C ATOM 1474 CG1 VAL A 101 104.922 -13.368 10.167 1.00 0.00 C ATOM 1475 CG2 VAL A 101 105.850 -15.338 8.947 1.00 0.00 C ATOM 0 H VAL A 101 104.514 -11.700 8.011 1.00 0.00 H new ATOM 0 HA VAL A 101 104.641 -14.102 6.810 1.00 0.00 H new ATOM 0 HB VAL A 101 106.259 -13.274 8.479 1.00 0.00 H new ATOM 0 HG11 VAL A 101 105.728 -13.441 10.897 1.00 0.00 H new ATOM 0 HG12 VAL A 101 104.610 -12.328 10.073 1.00 0.00 H new ATOM 0 HG13 VAL A 101 104.077 -13.972 10.498 1.00 0.00 H new ATOM 0 HG21 VAL A 101 106.656 -15.411 9.677 1.00 0.00 H new ATOM 0 HG22 VAL A 101 105.005 -15.941 9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 101 106.201 -15.704 7.982 1.00 0.00 H new ATOM 1485 N CYS A 102 103.165 -15.936 7.777 1.00 0.00 N ATOM 1486 CA CYS A 102 102.109 -16.881 8.113 1.00 0.00 C ATOM 1487 C CYS A 102 102.277 -17.381 9.540 1.00 0.00 C ATOM 1488 O CYS A 102 103.052 -18.300 9.805 1.00 0.00 O ATOM 1489 CB CYS A 102 102.130 -18.067 7.146 1.00 0.00 C ATOM 1490 SG CYS A 102 102.034 -17.455 5.448 1.00 0.00 S ATOM 0 H CYS A 102 103.910 -16.319 7.195 1.00 0.00 H new ATOM 0 HA CYS A 102 101.151 -16.368 8.028 1.00 0.00 H new ATOM 0 HB2 CYS A 102 103.042 -18.648 7.284 1.00 0.00 H new ATOM 0 HB3 CYS A 102 101.293 -18.734 7.352 1.00 0.00 H new ATOM 1495 N ASP A 103 101.540 -16.764 10.452 1.00 0.00 N ATOM 1496 CA ASP A 103 101.603 -17.143 11.858 1.00 0.00 C ATOM 1497 C ASP A 103 103.052 -17.271 12.316 1.00 0.00 C ATOM 1498 O ASP A 103 103.793 -16.319 12.143 1.00 0.00 O ATOM 1499 CB ASP A 103 100.878 -18.474 12.074 1.00 0.00 C ATOM 1500 CG ASP A 103 99.386 -18.305 11.803 1.00 0.00 C ATOM 1501 OD1 ASP A 103 98.667 -17.980 12.734 1.00 0.00 O1- ATOM 1502 OD2 ASP A 103 98.985 -18.502 10.669 1.00 0.00 O ATOM 1503 OXT ASP A 103 103.399 -18.321 12.833 1.00 0.00 O ATOM 0 H ASP A 103 100.894 -16.002 10.246 1.00 0.00 H new ATOM 0 HA ASP A 103 101.116 -16.364 12.446 1.00 0.00 H new ATOM 0 HB2 ASP A 103 101.292 -19.235 11.413 1.00 0.00 H new ATOM 0 HB3 ASP A 103 101.034 -18.821 13.096 1.00 0.00 H new TER 1508 ASP A 103