USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 677 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 86 THR OG1 : rot 4:sc= 0.744 USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 131:sc= 0.0393 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 68:sc= 0.226! USER MOD Single : A 13 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.22) USER MOD Single : A 15 ASN : amide:sc= -11.4! C(o=-11!,f=-13!) USER MOD Single : A 19 SER OG : rot -19:sc= 0.519! USER MOD Single : A 20 GLN : amide:sc= -0.525 X(o=-0.52,f=-0.26) USER MOD Single : A 27 GLN : amide:sc= -3.97! C(o=-4!,f=-7.8!) USER MOD Single : A 29 MET CE :methyl -155:sc= -0.238 (180deg=-1.16) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 159:sc=-0.00348 USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= -0.879 (180deg=-1.65!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0603 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 51 LYS NZ :NH3+ -148:sc= -0.0551 (180deg=-0.391) USER MOD Single : A 52 ASN : amide:sc= -0.0456 K(o=-0.046,f=-1.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -120:sc= -0.113 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 71 MET CE :methyl -154:sc= -10.3! (180deg=-12.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -8.58! C(o=-8.6!,f=-18!) USER MOD Single : A 79 HIS : no HD1:sc= -16.1! C(o=-16!,f=-15!) USER MOD Single : A 80 THR OG1 : rot 170:sc= -3.49! USER MOD Single : A 83 HIS : no HD1:sc= -8.09! C(o=-8.1!,f=-7.7!) USER MOD Single : A 85 SER OG : rot -82:sc= -2.74! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.791 6.077 20.648 1.00 0.00 N ATOM 2 CA ALA A 1 10.365 7.415 20.943 1.00 0.00 C ATOM 3 C ALA A 1 9.822 8.468 19.983 1.00 0.00 C ATOM 4 O ALA A 1 9.510 8.170 18.830 1.00 0.00 O ATOM 5 CB ALA A 1 11.884 7.366 20.866 1.00 0.00 C ATOM 0 H1 ALA A 1 10.556 5.375 20.596 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.127 5.810 21.402 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.288 6.108 19.738 1.00 0.00 H new ATOM 0 HA ALA A 1 10.071 7.694 21.955 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.291 8.353 21.084 1.00 0.00 H new ATOM 0 HB2 ALA A 1 12.262 6.648 21.594 1.00 0.00 H new ATOM 0 HB3 ALA A 1 12.188 7.061 19.865 1.00 0.00 H new ATOM 13 N PRO A 2 9.705 9.720 20.452 1.00 0.00 N ATOM 14 CA PRO A 2 9.197 10.829 19.636 1.00 0.00 C ATOM 15 C PRO A 2 10.124 11.163 18.472 1.00 0.00 C ATOM 16 O PRO A 2 11.347 11.109 18.605 1.00 0.00 O ATOM 17 CB PRO A 2 9.133 12.000 20.622 1.00 0.00 C ATOM 18 CG PRO A 2 10.101 11.648 21.698 1.00 0.00 C ATOM 19 CD PRO A 2 10.058 10.151 21.814 1.00 0.00 C ATOM 0 HA PRO A 2 8.238 10.590 19.177 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.404 12.939 20.139 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.127 12.126 21.021 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.105 11.992 21.449 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.827 12.121 22.641 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.019 9.744 22.129 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.318 9.824 22.545 1.00 0.00 H new ATOM 27 N ASP A 3 9.535 11.509 17.332 1.00 0.00 N ATOM 28 CA ASP A 3 10.311 11.853 16.145 1.00 0.00 C ATOM 29 C ASP A 3 9.733 13.084 15.455 1.00 0.00 C ATOM 30 O ASP A 3 8.566 13.096 15.061 1.00 0.00 O ATOM 31 CB ASP A 3 10.342 10.675 15.169 1.00 0.00 C ATOM 32 CG ASP A 3 11.153 9.508 15.697 1.00 0.00 C ATOM 33 OD1 ASP A 3 12.395 9.543 15.571 1.00 0.00 O ATOM 34 OD2 ASP A 3 10.546 8.559 16.236 1.00 0.00 O ATOM 0 H ASP A 3 8.524 11.559 17.205 1.00 0.00 H new ATOM 0 HA ASP A 3 11.329 12.080 16.462 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.322 10.345 14.970 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.762 11.005 14.219 1.00 0.00 H new ATOM 39 N VAL A 4 10.556 14.117 15.309 1.00 0.00 N ATOM 40 CA VAL A 4 10.124 15.351 14.663 1.00 0.00 C ATOM 41 C VAL A 4 9.590 15.076 13.262 1.00 0.00 C ATOM 42 O VAL A 4 9.403 13.922 12.874 1.00 0.00 O ATOM 43 CB VAL A 4 11.273 16.376 14.572 1.00 0.00 C ATOM 44 CG1 VAL A 4 11.577 16.966 15.941 1.00 0.00 C ATOM 45 CG2 VAL A 4 12.514 15.737 13.971 1.00 0.00 C ATOM 0 H VAL A 4 11.525 14.124 15.629 1.00 0.00 H new ATOM 0 HA VAL A 4 9.328 15.768 15.280 1.00 0.00 H new ATOM 0 HB VAL A 4 10.957 17.187 13.916 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.390 17.686 15.854 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.689 17.466 16.327 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.870 16.169 16.624 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.313 16.476 13.915 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.833 14.904 14.597 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.287 15.372 12.969 1.00 0.00 H new ATOM 55 N GLN A 5 9.344 16.142 12.509 1.00 0.00 N ATOM 56 CA GLN A 5 8.829 16.018 11.151 1.00 0.00 C ATOM 57 C GLN A 5 7.307 15.918 11.157 1.00 0.00 C ATOM 58 O GLN A 5 6.682 15.867 12.216 1.00 0.00 O ATOM 59 CB GLN A 5 9.434 14.793 10.459 1.00 0.00 C ATOM 60 CG GLN A 5 9.938 15.076 9.053 1.00 0.00 C ATOM 61 CD GLN A 5 10.153 13.811 8.245 1.00 0.00 C ATOM 62 OE1 GLN A 5 9.353 13.474 7.373 1.00 0.00 O ATOM 63 NE2 GLN A 5 11.239 13.102 8.532 1.00 0.00 N ATOM 0 H GLN A 5 9.493 17.103 12.817 1.00 0.00 H new ATOM 0 HA GLN A 5 9.115 16.912 10.597 1.00 0.00 H new ATOM 0 HB2 GLN A 5 10.259 14.416 11.063 1.00 0.00 H new ATOM 0 HB3 GLN A 5 8.684 14.003 10.415 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.222 15.715 8.536 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.875 15.629 9.111 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.876 13.418 9.263 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.436 12.241 8.021 1.00 0.00 H new ATOM 72 N ASP A 6 6.719 15.894 9.967 1.00 0.00 N ATOM 73 CA ASP A 6 5.270 15.804 9.832 1.00 0.00 C ATOM 74 C ASP A 6 4.893 14.886 8.675 1.00 0.00 C ATOM 75 O ASP A 6 5.144 15.201 7.512 1.00 0.00 O ATOM 76 CB ASP A 6 4.674 17.199 9.618 1.00 0.00 C ATOM 77 CG ASP A 6 3.399 17.171 8.798 1.00 0.00 C ATOM 78 OD1 ASP A 6 3.494 17.083 7.556 1.00 0.00 O ATOM 79 OD2 ASP A 6 2.306 17.237 9.399 1.00 0.00 O ATOM 0 H ASP A 6 7.223 15.936 9.081 1.00 0.00 H new ATOM 0 HA ASP A 6 4.863 15.382 10.751 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.468 17.654 10.587 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.409 17.831 9.119 1.00 0.00 H new ATOM 84 N CYS A 7 4.288 13.749 9.003 1.00 0.00 N ATOM 85 CA CYS A 7 3.874 12.782 7.992 1.00 0.00 C ATOM 86 C CYS A 7 2.404 12.965 7.631 1.00 0.00 C ATOM 87 O CYS A 7 1.596 13.375 8.464 1.00 0.00 O ATOM 88 CB CYS A 7 4.102 11.356 8.496 1.00 0.00 C ATOM 89 SG CYS A 7 5.714 10.643 8.034 1.00 0.00 S ATOM 0 H CYS A 7 4.073 13.474 9.962 1.00 0.00 H new ATOM 0 HA CYS A 7 4.477 12.952 7.100 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.013 11.349 9.582 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.310 10.715 8.107 1.00 0.00 H new ATOM 94 N PRO A 8 2.037 12.654 6.377 1.00 0.00 N ATOM 95 CA PRO A 8 0.664 12.770 5.890 1.00 0.00 C ATOM 96 C PRO A 8 -0.191 11.577 6.306 1.00 0.00 C ATOM 97 O PRO A 8 -1.234 11.308 5.708 1.00 0.00 O ATOM 98 CB PRO A 8 0.819 12.808 4.359 1.00 0.00 C ATOM 99 CG PRO A 8 2.291 12.713 4.084 1.00 0.00 C ATOM 100 CD PRO A 8 2.926 12.159 5.328 1.00 0.00 C ATOM 0 HA PRO A 8 0.161 13.647 6.297 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.282 11.982 3.893 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.405 13.729 3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.484 12.065 3.229 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.704 13.692 3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.970 11.070 5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.947 12.517 5.458 1.00 0.00 H new ATOM 108 N GLU A 9 0.263 10.863 7.331 1.00 0.00 N ATOM 109 CA GLU A 9 -0.450 9.693 7.831 1.00 0.00 C ATOM 110 C GLU A 9 -0.663 8.668 6.721 1.00 0.00 C ATOM 111 O GLU A 9 -0.562 8.990 5.537 1.00 0.00 O ATOM 112 CB GLU A 9 -1.797 10.103 8.433 1.00 0.00 C ATOM 113 CG GLU A 9 -2.010 9.590 9.849 1.00 0.00 C ATOM 114 CD GLU A 9 -3.355 8.913 10.028 1.00 0.00 C ATOM 115 OE1 GLU A 9 -4.268 9.185 9.221 1.00 0.00 O ATOM 116 OE2 GLU A 9 -3.495 8.111 10.975 1.00 0.00 O ATOM 0 H GLU A 9 1.125 11.075 7.833 1.00 0.00 H new ATOM 0 HA GLU A 9 0.160 9.235 8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.869 11.191 8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.599 9.731 7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.217 8.886 10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.930 10.422 10.549 1.00 0.00 H new ATOM 123 N CYS A 10 -0.951 7.430 7.113 1.00 0.00 N ATOM 124 CA CYS A 10 -1.174 6.351 6.156 1.00 0.00 C ATOM 125 C CYS A 10 -2.531 6.492 5.473 1.00 0.00 C ATOM 126 O CYS A 10 -3.482 7.004 6.063 1.00 0.00 O ATOM 127 CB CYS A 10 -1.088 5.001 6.867 1.00 0.00 C ATOM 128 SG CYS A 10 -1.613 3.584 5.852 1.00 0.00 S ATOM 0 H CYS A 10 -1.036 7.149 8.090 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.400 6.410 5.390 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.060 4.839 7.191 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.704 5.037 7.766 1.00 0.00 H new ATOM 133 N THR A 11 -2.617 6.033 4.227 1.00 0.00 N ATOM 134 CA THR A 11 -3.862 6.108 3.472 1.00 0.00 C ATOM 135 C THR A 11 -3.746 5.328 2.173 1.00 0.00 C ATOM 136 O THR A 11 -2.823 4.534 2.000 1.00 0.00 O ATOM 137 CB THR A 11 -4.216 7.563 3.170 1.00 0.00 C ATOM 138 OG1 THR A 11 -5.284 7.638 2.243 1.00 0.00 O ATOM 139 CG2 THR A 11 -3.058 8.350 2.601 1.00 0.00 C ATOM 0 H THR A 11 -1.841 5.606 3.721 1.00 0.00 H new ATOM 0 HA THR A 11 -4.654 5.668 4.078 1.00 0.00 H new ATOM 0 HB THR A 11 -4.497 7.999 4.129 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.105 7.306 2.662 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.374 9.375 2.408 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.234 8.353 3.315 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.729 7.891 1.669 1.00 0.00 H new ATOM 147 N LEU A 12 -4.680 5.565 1.261 1.00 0.00 N ATOM 148 CA LEU A 12 -4.672 4.884 -0.025 1.00 0.00 C ATOM 149 C LEU A 12 -4.232 5.815 -1.129 1.00 0.00 C ATOM 150 O LEU A 12 -4.683 6.958 -1.217 1.00 0.00 O ATOM 151 CB LEU A 12 -6.047 4.317 -0.354 1.00 0.00 C ATOM 152 CG LEU A 12 -6.394 3.024 0.373 1.00 0.00 C ATOM 153 CD1 LEU A 12 -5.814 3.040 1.776 1.00 0.00 C ATOM 154 CD2 LEU A 12 -7.901 2.842 0.402 1.00 0.00 C ATOM 0 H LEU A 12 -5.450 6.222 1.388 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.960 4.062 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.801 5.067 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.105 4.140 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.957 2.179 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.069 2.111 2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.730 3.138 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.227 3.883 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.146 1.916 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.359 3.683 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.282 2.796 -0.618 1.00 0.00 H new ATOM 166 N GLN A 13 -3.353 5.315 -1.976 1.00 0.00 N ATOM 167 CA GLN A 13 -2.853 6.099 -3.086 1.00 0.00 C ATOM 168 C GLN A 13 -3.678 5.855 -4.319 1.00 0.00 C ATOM 169 O GLN A 13 -3.157 5.670 -5.418 1.00 0.00 O ATOM 170 CB GLN A 13 -1.412 5.767 -3.355 1.00 0.00 C ATOM 171 CG GLN A 13 -0.497 6.239 -2.250 1.00 0.00 C ATOM 172 CD GLN A 13 0.738 6.949 -2.766 1.00 0.00 C ATOM 173 OE1 GLN A 13 1.632 6.329 -3.341 1.00 0.00 O ATOM 174 NE2 GLN A 13 0.792 8.259 -2.560 1.00 0.00 N ATOM 0 H GLN A 13 -2.972 4.371 -1.916 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.927 7.154 -2.821 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.307 4.689 -3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.106 6.224 -4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.048 6.912 -1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.192 5.383 -1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.027 8.731 -2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.598 8.793 -2.883 1.00 0.00 H new ATOM 183 N GLU A 14 -4.969 5.843 -4.094 1.00 0.00 N ATOM 184 CA GLU A 14 -5.955 5.606 -5.141 1.00 0.00 C ATOM 185 C GLU A 14 -5.291 5.447 -6.486 1.00 0.00 C ATOM 186 O GLU A 14 -4.589 6.333 -6.968 1.00 0.00 O ATOM 187 CB GLU A 14 -6.984 6.719 -5.214 1.00 0.00 C ATOM 188 CG GLU A 14 -7.897 6.615 -6.426 1.00 0.00 C ATOM 189 CD GLU A 14 -8.083 7.944 -7.131 1.00 0.00 C ATOM 190 OE1 GLU A 14 -7.259 8.855 -6.906 1.00 0.00 O ATOM 191 OE2 GLU A 14 -9.052 8.073 -7.908 1.00 0.00 O ATOM 0 H GLU A 14 -5.377 5.998 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.469 4.680 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.590 6.704 -4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.469 7.680 -5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.483 5.891 -7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.869 6.235 -6.112 1.00 0.00 H new ATOM 198 N ASN A 15 -5.509 4.294 -7.058 1.00 0.00 N ATOM 199 CA ASN A 15 -4.930 3.941 -8.336 1.00 0.00 C ATOM 200 C ASN A 15 -5.676 4.521 -9.525 1.00 0.00 C ATOM 201 O ASN A 15 -6.702 3.989 -9.949 1.00 0.00 O ATOM 202 CB ASN A 15 -4.855 2.431 -8.475 1.00 0.00 C ATOM 203 CG ASN A 15 -3.446 1.961 -8.716 1.00 0.00 C ATOM 204 OD1 ASN A 15 -2.844 2.243 -9.752 1.00 0.00 O ATOM 205 ND2 ASN A 15 -2.915 1.245 -7.749 1.00 0.00 N ATOM 0 H ASN A 15 -6.096 3.565 -6.652 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.932 4.378 -8.347 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.245 1.963 -7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.491 2.110 -9.300 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.961 0.895 -7.838 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.457 1.039 -6.910 1.00 0.00 H new ATOM 212 N PRO A 16 -5.121 5.583 -10.130 1.00 0.00 N ATOM 213 CA PRO A 16 -5.689 6.181 -11.324 1.00 0.00 C ATOM 214 C PRO A 16 -5.274 5.351 -12.524 1.00 0.00 C ATOM 215 O PRO A 16 -5.588 5.656 -13.674 1.00 0.00 O ATOM 216 CB PRO A 16 -5.050 7.565 -11.359 1.00 0.00 C ATOM 217 CG PRO A 16 -3.716 7.379 -10.715 1.00 0.00 C ATOM 218 CD PRO A 16 -3.855 6.230 -9.741 1.00 0.00 C ATOM 0 HA PRO A 16 -6.778 6.233 -11.333 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.950 7.930 -12.381 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.653 8.294 -10.818 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.953 7.161 -11.463 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.406 8.288 -10.199 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.015 5.540 -9.816 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.887 6.582 -8.710 1.00 0.00 H new ATOM 226 N PHE A 17 -4.557 4.282 -12.200 1.00 0.00 N ATOM 227 CA PHE A 17 -4.048 3.328 -13.169 1.00 0.00 C ATOM 228 C PHE A 17 -5.065 2.221 -13.383 1.00 0.00 C ATOM 229 O PHE A 17 -5.456 1.912 -14.509 1.00 0.00 O ATOM 230 CB PHE A 17 -2.747 2.710 -12.642 1.00 0.00 C ATOM 231 CG PHE A 17 -1.997 1.920 -13.677 1.00 0.00 C ATOM 232 CD1 PHE A 17 -2.447 1.866 -14.986 1.00 0.00 C ATOM 233 CD2 PHE A 17 -0.846 1.225 -13.338 1.00 0.00 C ATOM 234 CE1 PHE A 17 -1.764 1.134 -15.939 1.00 0.00 C ATOM 235 CE2 PHE A 17 -0.159 0.492 -14.287 1.00 0.00 C ATOM 236 CZ PHE A 17 -0.619 0.447 -15.589 1.00 0.00 C ATOM 0 H PHE A 17 -4.310 4.052 -11.237 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.862 3.843 -14.112 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.103 3.505 -12.266 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.978 2.061 -11.798 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.342 2.402 -15.265 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.483 1.257 -12.321 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.126 1.100 -16.956 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.736 -0.045 -14.011 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.083 -0.125 -16.332 1.00 0.00 H new ATOM 246 N PHE A 18 -5.469 1.625 -12.272 1.00 0.00 N ATOM 247 CA PHE A 18 -6.426 0.534 -12.274 1.00 0.00 C ATOM 248 C PHE A 18 -7.862 1.057 -12.236 1.00 0.00 C ATOM 249 O PHE A 18 -8.810 0.308 -12.475 1.00 0.00 O ATOM 250 CB PHE A 18 -6.145 -0.365 -11.071 1.00 0.00 C ATOM 251 CG PHE A 18 -4.684 -0.663 -10.889 1.00 0.00 C ATOM 252 CD1 PHE A 18 -3.906 -1.024 -11.974 1.00 0.00 C ATOM 253 CD2 PHE A 18 -4.087 -0.575 -9.640 1.00 0.00 C ATOM 254 CE1 PHE A 18 -2.559 -1.296 -11.822 1.00 0.00 C ATOM 255 CE2 PHE A 18 -2.740 -0.844 -9.481 1.00 0.00 C ATOM 256 CZ PHE A 18 -1.975 -1.205 -10.574 1.00 0.00 C ATOM 0 H PHE A 18 -5.141 1.886 -11.342 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.317 -0.038 -13.195 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.527 0.114 -10.170 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.689 -1.302 -11.190 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.357 -1.094 -12.953 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.680 -0.293 -8.783 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.964 -1.579 -12.678 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.286 -0.772 -8.504 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.923 -1.415 -10.452 1.00 0.00 H new ATOM 266 N SER A 19 -8.013 2.345 -11.938 1.00 0.00 N ATOM 267 CA SER A 19 -9.326 2.970 -11.874 1.00 0.00 C ATOM 268 C SER A 19 -10.270 2.344 -12.887 1.00 0.00 C ATOM 269 O SER A 19 -10.018 2.366 -14.091 1.00 0.00 O ATOM 270 CB SER A 19 -9.217 4.474 -12.123 1.00 0.00 C ATOM 271 OG SER A 19 -9.451 4.785 -13.486 1.00 0.00 O ATOM 0 H SER A 19 -7.237 2.976 -11.737 1.00 0.00 H new ATOM 0 HA SER A 19 -9.729 2.807 -10.874 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.937 5.002 -11.498 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.226 4.823 -11.832 1.00 0.00 H new ATOM 0 HG SER A 19 -9.337 3.978 -14.030 1.00 0.00 H new ATOM 277 N GLN A 20 -11.354 1.786 -12.382 1.00 0.00 N ATOM 278 CA GLN A 20 -12.351 1.144 -13.230 1.00 0.00 C ATOM 279 C GLN A 20 -13.532 2.073 -13.477 1.00 0.00 C ATOM 280 O GLN A 20 -13.560 3.204 -12.991 1.00 0.00 O ATOM 281 CB GLN A 20 -12.838 -0.157 -12.591 1.00 0.00 C ATOM 282 CG GLN A 20 -11.819 -0.801 -11.666 1.00 0.00 C ATOM 283 CD GLN A 20 -11.487 -2.226 -12.064 1.00 0.00 C ATOM 284 OE1 GLN A 20 -12.373 -3.013 -12.397 1.00 0.00 O ATOM 285 NE2 GLN A 20 -10.204 -2.565 -12.030 1.00 0.00 N ATOM 0 H GLN A 20 -11.571 1.762 -11.386 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.882 0.916 -14.187 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.750 0.044 -12.029 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.098 -0.864 -13.379 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.906 -0.206 -11.667 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.204 -0.793 -10.646 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.503 -1.880 -11.748 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.919 -3.510 -12.286 1.00 0.00 H new ATOM 294 N PRO A 21 -14.526 1.602 -14.240 1.00 0.00 N ATOM 295 CA PRO A 21 -15.720 2.387 -14.557 1.00 0.00 C ATOM 296 C PRO A 21 -16.560 2.673 -13.320 1.00 0.00 C ATOM 297 O PRO A 21 -17.738 2.322 -13.259 1.00 0.00 O ATOM 298 CB PRO A 21 -16.497 1.501 -15.542 1.00 0.00 C ATOM 299 CG PRO A 21 -15.527 0.459 -15.990 1.00 0.00 C ATOM 300 CD PRO A 21 -14.567 0.270 -14.852 1.00 0.00 C ATOM 0 HA PRO A 21 -15.464 3.364 -14.967 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -17.365 1.049 -15.063 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.866 2.083 -16.387 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.039 -0.474 -16.228 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.004 0.775 -16.893 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -14.915 -0.488 -14.150 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -13.584 -0.046 -15.200 1.00 0.00 H new ATOM 308 N GLY A 22 -15.943 3.318 -12.337 1.00 0.00 N ATOM 309 CA GLY A 22 -16.647 3.649 -11.113 1.00 0.00 C ATOM 310 C GLY A 22 -15.978 3.092 -9.874 1.00 0.00 C ATOM 311 O GLY A 22 -16.651 2.770 -8.895 1.00 0.00 O ATOM 0 H GLY A 22 -14.968 3.617 -12.366 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.719 4.733 -11.024 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.666 3.266 -11.172 1.00 0.00 H new ATOM 315 N ALA A 23 -14.655 2.979 -9.905 1.00 0.00 N ATOM 316 CA ALA A 23 -13.925 2.456 -8.761 1.00 0.00 C ATOM 317 C ALA A 23 -12.456 2.802 -8.826 1.00 0.00 C ATOM 318 O ALA A 23 -11.671 2.189 -9.551 1.00 0.00 O ATOM 319 CB ALA A 23 -14.134 0.957 -8.643 1.00 0.00 C ATOM 0 H ALA A 23 -14.073 3.240 -10.701 1.00 0.00 H new ATOM 0 HA ALA A 23 -14.322 2.932 -7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.582 0.579 -7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.196 0.747 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.775 0.467 -9.548 1.00 0.00 H new ATOM 325 N PRO A 24 -12.089 3.812 -8.043 1.00 0.00 N ATOM 326 CA PRO A 24 -10.725 4.317 -7.943 1.00 0.00 C ATOM 327 C PRO A 24 -9.832 3.395 -7.140 1.00 0.00 C ATOM 328 O PRO A 24 -9.753 3.484 -5.914 1.00 0.00 O ATOM 329 CB PRO A 24 -10.901 5.659 -7.222 1.00 0.00 C ATOM 330 CG PRO A 24 -12.370 5.910 -7.174 1.00 0.00 C ATOM 331 CD PRO A 24 -13.001 4.562 -7.180 1.00 0.00 C ATOM 0 HA PRO A 24 -10.244 4.401 -8.917 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.479 5.621 -6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.386 6.458 -7.754 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.644 6.468 -6.279 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.696 6.500 -8.030 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.062 4.134 -6.179 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.015 4.586 -7.579 1.00 0.00 H new ATOM 339 N ILE A 25 -9.167 2.509 -7.852 1.00 0.00 N ATOM 340 CA ILE A 25 -8.272 1.550 -7.254 1.00 0.00 C ATOM 341 C ILE A 25 -7.309 2.194 -6.280 1.00 0.00 C ATOM 342 O ILE A 25 -7.369 3.402 -6.058 1.00 0.00 O ATOM 343 CB ILE A 25 -7.499 0.820 -8.333 1.00 0.00 C ATOM 344 CG1 ILE A 25 -8.484 0.139 -9.254 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.591 -0.195 -7.685 1.00 0.00 C ATOM 346 CD1 ILE A 25 -9.671 -0.367 -8.493 1.00 0.00 C ATOM 0 H ILE A 25 -9.235 2.436 -8.867 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.883 0.843 -6.692 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.891 1.516 -8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.812 0.839 -10.023 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.995 -0.690 -9.766 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.030 -0.726 -8.455 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.897 0.313 -7.015 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.189 -0.907 -7.116 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.364 -0.853 -9.180 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.342 -1.085 -7.742 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.172 0.468 -8.003 1.00 0.00 H new ATOM 358 N LEU A 26 -6.464 1.377 -5.641 1.00 0.00 N ATOM 359 CA LEU A 26 -5.550 1.899 -4.627 1.00 0.00 C ATOM 360 C LEU A 26 -4.368 1.020 -4.326 1.00 0.00 C ATOM 361 O LEU A 26 -4.034 0.075 -5.040 1.00 0.00 O ATOM 362 CB LEU A 26 -6.332 2.047 -3.349 1.00 0.00 C ATOM 363 CG LEU A 26 -7.784 2.297 -3.623 1.00 0.00 C ATOM 364 CD1 LEU A 26 -8.654 1.244 -2.976 1.00 0.00 C ATOM 365 CD2 LEU A 26 -8.192 3.698 -3.203 1.00 0.00 C ATOM 0 H LEU A 26 -6.396 0.373 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.152 2.834 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.224 1.144 -2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.923 2.871 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.935 2.225 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.701 1.454 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.391 0.262 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.498 1.256 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.251 3.848 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.014 3.824 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.604 4.430 -3.757 1.00 0.00 H new ATOM 377 N GLN A 27 -3.766 1.375 -3.213 1.00 0.00 N ATOM 378 CA GLN A 27 -2.607 0.676 -2.679 1.00 0.00 C ATOM 379 C GLN A 27 -2.053 1.418 -1.466 1.00 0.00 C ATOM 380 O GLN A 27 -0.991 2.037 -1.527 1.00 0.00 O ATOM 381 CB GLN A 27 -1.538 0.520 -3.752 1.00 0.00 C ATOM 382 CG GLN A 27 -0.142 0.303 -3.192 1.00 0.00 C ATOM 383 CD GLN A 27 0.759 1.505 -3.390 1.00 0.00 C ATOM 384 OE1 GLN A 27 1.312 2.047 -2.432 1.00 0.00 O ATOM 385 NE2 GLN A 27 0.912 1.930 -4.639 1.00 0.00 N ATOM 0 H GLN A 27 -4.067 2.165 -2.643 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.916 -0.319 -2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.798 -0.322 -4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.534 1.410 -4.381 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.212 0.078 -2.128 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.307 -0.566 -3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.435 1.451 -5.403 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.507 2.735 -4.834 1.00 0.00 H new ATOM 394 N CYS A 28 -2.807 1.355 -0.374 1.00 0.00 N ATOM 395 CA CYS A 28 -2.448 2.019 0.875 1.00 0.00 C ATOM 396 C CYS A 28 -0.975 2.405 0.921 1.00 0.00 C ATOM 397 O CYS A 28 -0.099 1.541 0.950 1.00 0.00 O ATOM 398 CB CYS A 28 -2.771 1.129 2.074 1.00 0.00 C ATOM 399 SG CYS A 28 -3.501 2.032 3.478 1.00 0.00 S ATOM 0 H CYS A 28 -3.687 0.841 -0.329 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.041 2.932 0.923 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.460 0.346 1.759 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.858 0.635 2.406 1.00 0.00 H new ATOM 404 N MET A 29 -0.705 3.706 0.944 1.00 0.00 N ATOM 405 CA MET A 29 0.670 4.189 1.004 1.00 0.00 C ATOM 406 C MET A 29 0.753 5.528 1.730 1.00 0.00 C ATOM 407 O MET A 29 0.109 6.501 1.339 1.00 0.00 O ATOM 408 CB MET A 29 1.255 4.315 -0.401 1.00 0.00 C ATOM 409 CG MET A 29 2.628 3.683 -0.547 1.00 0.00 C ATOM 410 SD MET A 29 3.761 4.187 0.761 1.00 0.00 S ATOM 411 CE MET A 29 5.339 3.954 -0.050 1.00 0.00 C ATOM 0 H MET A 29 -1.413 4.440 0.922 1.00 0.00 H new ATOM 0 HA MET A 29 1.255 3.461 1.566 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.573 3.850 -1.113 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.320 5.371 -0.665 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.528 2.598 -0.538 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.050 3.957 -1.514 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.112 3.786 0.700 1.00 0.00 H new ATOM 0 HE2 MET A 29 5.283 3.091 -0.713 1.00 0.00 H new ATOM 0 HE3 MET A 29 5.584 4.843 -0.631 1.00 0.00 H new ATOM 421 N GLY A 30 1.554 5.566 2.791 1.00 0.00 N ATOM 422 CA GLY A 30 1.715 6.785 3.563 1.00 0.00 C ATOM 423 C GLY A 30 2.819 6.670 4.595 1.00 0.00 C ATOM 424 O GLY A 30 3.909 6.183 4.295 1.00 0.00 O ATOM 0 H GLY A 30 2.096 4.771 3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.935 7.613 2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.776 7.022 4.063 1.00 0.00 H new ATOM 428 N CYS A 31 2.540 7.118 5.815 1.00 0.00 N ATOM 429 CA CYS A 31 3.523 7.060 6.890 1.00 0.00 C ATOM 430 C CYS A 31 2.851 7.188 8.254 1.00 0.00 C ATOM 431 O CYS A 31 2.397 8.267 8.635 1.00 0.00 O ATOM 432 CB CYS A 31 4.569 8.165 6.710 1.00 0.00 C ATOM 433 SG CYS A 31 5.431 8.643 8.243 1.00 0.00 S ATOM 0 H CYS A 31 1.644 7.524 6.083 1.00 0.00 H new ATOM 0 HA CYS A 31 4.019 6.090 6.845 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.308 7.834 5.980 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.081 9.046 6.292 1.00 0.00 H new ATOM 438 N CYS A 32 2.792 6.079 8.987 1.00 0.00 N ATOM 439 CA CYS A 32 2.177 6.064 10.312 1.00 0.00 C ATOM 440 C CYS A 32 3.165 6.532 11.380 1.00 0.00 C ATOM 441 O CYS A 32 3.160 6.033 12.505 1.00 0.00 O ATOM 442 CB CYS A 32 1.675 4.656 10.648 1.00 0.00 C ATOM 443 SG CYS A 32 -0.071 4.360 10.216 1.00 0.00 S ATOM 0 H CYS A 32 3.163 5.178 8.686 1.00 0.00 H new ATOM 0 HA CYS A 32 1.332 6.752 10.299 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.295 3.927 10.126 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.808 4.481 11.716 1.00 0.00 H new ATOM 448 N PHE A 33 4.010 7.494 11.019 1.00 0.00 N ATOM 449 CA PHE A 33 5.004 8.031 11.941 1.00 0.00 C ATOM 450 C PHE A 33 6.228 7.124 12.013 1.00 0.00 C ATOM 451 O PHE A 33 6.296 6.101 11.333 1.00 0.00 O ATOM 452 CB PHE A 33 4.403 8.205 13.336 1.00 0.00 C ATOM 453 CG PHE A 33 2.991 8.718 13.327 1.00 0.00 C ATOM 454 CD1 PHE A 33 2.628 9.775 12.508 1.00 0.00 C ATOM 455 CD2 PHE A 33 2.028 8.145 14.142 1.00 0.00 C ATOM 456 CE1 PHE A 33 1.330 10.250 12.500 1.00 0.00 C ATOM 457 CE2 PHE A 33 0.729 8.615 14.139 1.00 0.00 C ATOM 458 CZ PHE A 33 0.380 9.669 13.317 1.00 0.00 C ATOM 0 H PHE A 33 4.025 7.918 10.091 1.00 0.00 H new ATOM 0 HA PHE A 33 5.316 9.005 11.565 1.00 0.00 H new ATOM 0 HB2 PHE A 33 4.428 7.247 13.855 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.026 8.893 13.907 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.368 10.233 11.868 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.296 7.321 14.787 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.059 11.074 11.856 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.013 8.159 14.778 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.635 10.038 13.313 1.00 0.00 H new ATOM 468 N SER A 34 7.194 7.508 12.842 1.00 0.00 N ATOM 469 CA SER A 34 8.418 6.731 13.004 1.00 0.00 C ATOM 470 C SER A 34 9.130 6.550 11.667 1.00 0.00 C ATOM 471 O SER A 34 8.492 6.499 10.615 1.00 0.00 O ATOM 472 CB SER A 34 8.106 5.365 13.616 1.00 0.00 C ATOM 473 OG SER A 34 8.622 5.266 14.932 1.00 0.00 O ATOM 0 H SER A 34 7.153 8.353 13.412 1.00 0.00 H new ATOM 0 HA SER A 34 9.078 7.280 13.676 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.027 5.208 13.632 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.533 4.578 12.994 1.00 0.00 H new ATOM 0 HG SER A 34 8.408 4.384 15.302 1.00 0.00 H new ATOM 479 N ARG A 35 10.456 6.454 11.715 1.00 0.00 N ATOM 480 CA ARG A 35 11.256 6.280 10.508 1.00 0.00 C ATOM 481 C ARG A 35 10.545 5.373 9.510 1.00 0.00 C ATOM 482 O ARG A 35 10.712 4.154 9.533 1.00 0.00 O ATOM 483 CB ARG A 35 12.628 5.697 10.852 1.00 0.00 C ATOM 484 CG ARG A 35 13.739 6.734 10.891 1.00 0.00 C ATOM 485 CD ARG A 35 14.332 6.863 12.284 1.00 0.00 C ATOM 486 NE ARG A 35 15.726 6.428 12.331 1.00 0.00 N ATOM 487 CZ ARG A 35 16.101 5.153 12.297 1.00 0.00 C ATOM 488 NH1 ARG A 35 15.192 4.193 12.191 1.00 0.00 N ATOM 489 NH2 ARG A 35 17.387 4.838 12.364 1.00 0.00 N ATOM 0 H ARG A 35 10.999 6.494 12.578 1.00 0.00 H new ATOM 0 HA ARG A 35 11.391 7.261 10.052 1.00 0.00 H new ATOM 0 HB2 ARG A 35 12.570 5.202 11.822 1.00 0.00 H new ATOM 0 HB3 ARG A 35 12.882 4.932 10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 35 14.522 6.456 10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.348 7.700 10.570 1.00 0.00 H new ATOM 0 HD2 ARG A 35 14.265 7.901 12.611 1.00 0.00 H new ATOM 0 HD3 ARG A 35 13.744 6.270 12.984 1.00 0.00 H new ATOM 0 HE ARG A 35 16.452 7.142 12.393 1.00 0.00 H new ATOM 0 HH11 ARG A 35 14.202 4.432 12.135 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.483 3.216 12.165 1.00 0.00 H new ATOM 0 HH21 ARG A 35 18.089 5.574 12.442 1.00 0.00 H new ATOM 0 HH22 ARG A 35 17.674 3.860 12.338 1.00 0.00 H new ATOM 503 N ALA A 36 9.752 5.978 8.633 1.00 0.00 N ATOM 504 CA ALA A 36 9.017 5.228 7.624 1.00 0.00 C ATOM 505 C ALA A 36 9.041 5.947 6.284 1.00 0.00 C ATOM 506 O ALA A 36 8.038 6.510 5.846 1.00 0.00 O ATOM 507 CB ALA A 36 7.587 5.001 8.070 1.00 0.00 C ATOM 0 H ALA A 36 9.602 6.986 8.601 1.00 0.00 H new ATOM 0 HA ALA A 36 9.505 4.261 7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.052 4.439 7.304 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.582 4.438 9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.097 5.962 8.224 1.00 0.00 H new ATOM 513 N TYR A 37 10.195 5.916 5.641 1.00 0.00 N ATOM 514 CA TYR A 37 10.369 6.558 4.344 1.00 0.00 C ATOM 515 C TYR A 37 9.478 5.895 3.297 1.00 0.00 C ATOM 516 O TYR A 37 9.304 4.677 3.301 1.00 0.00 O ATOM 517 CB TYR A 37 11.835 6.488 3.911 1.00 0.00 C ATOM 518 CG TYR A 37 12.690 7.598 4.482 1.00 0.00 C ATOM 519 CD1 TYR A 37 12.893 7.713 5.853 1.00 0.00 C ATOM 520 CD2 TYR A 37 13.295 8.532 3.650 1.00 0.00 C ATOM 521 CE1 TYR A 37 13.674 8.728 6.376 1.00 0.00 C ATOM 522 CE2 TYR A 37 14.078 9.548 4.165 1.00 0.00 C ATOM 523 CZ TYR A 37 14.264 9.641 5.528 1.00 0.00 C ATOM 524 OH TYR A 37 15.043 10.652 6.043 1.00 0.00 O ATOM 0 H TYR A 37 11.031 5.451 5.996 1.00 0.00 H new ATOM 0 HA TYR A 37 10.079 7.605 4.434 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.250 5.528 4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.886 6.525 2.823 1.00 0.00 H new ATOM 0 HD1 TYR A 37 12.434 6.999 6.520 1.00 0.00 H new ATOM 0 HD2 TYR A 37 13.151 8.463 2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.821 8.805 7.443 1.00 0.00 H new ATOM 0 HE2 TYR A 37 14.541 10.265 3.503 1.00 0.00 H new ATOM 0 HH TYR A 37 15.384 11.207 5.311 1.00 0.00 H new ATOM 534 N PRO A 38 8.890 6.694 2.392 1.00 0.00 N ATOM 535 CA PRO A 38 8.001 6.186 1.340 1.00 0.00 C ATOM 536 C PRO A 38 8.722 5.308 0.329 1.00 0.00 C ATOM 537 O PRO A 38 8.117 4.793 -0.611 1.00 0.00 O ATOM 538 CB PRO A 38 7.468 7.454 0.661 1.00 0.00 C ATOM 539 CG PRO A 38 7.788 8.571 1.598 1.00 0.00 C ATOM 540 CD PRO A 38 9.031 8.154 2.327 1.00 0.00 C ATOM 0 HA PRO A 38 7.220 5.551 1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.940 7.608 -0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.394 7.384 0.486 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.948 9.502 1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.967 8.744 2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.933 8.451 1.792 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.088 8.600 3.320 1.00 0.00 H new ATOM 548 N THR A 39 10.012 5.144 0.540 1.00 0.00 N ATOM 549 CA THR A 39 10.849 4.326 -0.336 1.00 0.00 C ATOM 550 C THR A 39 10.559 4.608 -1.809 1.00 0.00 C ATOM 551 O THR A 39 9.494 4.266 -2.323 1.00 0.00 O ATOM 552 CB THR A 39 10.637 2.840 -0.039 1.00 0.00 C ATOM 553 OG1 THR A 39 11.465 2.042 -0.866 1.00 0.00 O ATOM 554 CG2 THR A 39 9.207 2.384 -0.243 1.00 0.00 C ATOM 0 H THR A 39 10.515 5.569 1.319 1.00 0.00 H new ATOM 0 HA THR A 39 11.889 4.588 -0.139 1.00 0.00 H new ATOM 0 HB THR A 39 10.892 2.717 1.014 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.317 1.095 -0.661 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.128 1.321 -0.015 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.548 2.947 0.418 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.915 2.555 -1.279 1.00 0.00 H new ATOM 562 N PRO A 40 11.516 5.233 -2.512 1.00 0.00 N ATOM 563 CA PRO A 40 11.374 5.560 -3.936 1.00 0.00 C ATOM 564 C PRO A 40 11.143 4.317 -4.793 1.00 0.00 C ATOM 565 O PRO A 40 11.677 3.247 -4.505 1.00 0.00 O ATOM 566 CB PRO A 40 12.717 6.209 -4.295 1.00 0.00 C ATOM 567 CG PRO A 40 13.294 6.654 -2.995 1.00 0.00 C ATOM 568 CD PRO A 40 12.815 5.665 -1.973 1.00 0.00 C ATOM 0 HA PRO A 40 10.513 6.203 -4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.376 5.500 -4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.579 7.051 -4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 40 14.383 6.675 -3.038 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.965 7.663 -2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.506 4.829 -1.866 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.712 6.121 -0.988 1.00 0.00 H new ATOM 576 N LEU A 41 10.345 4.464 -5.847 1.00 0.00 N ATOM 577 CA LEU A 41 10.050 3.348 -6.742 1.00 0.00 C ATOM 578 C LEU A 41 11.069 3.271 -7.875 1.00 0.00 C ATOM 579 O LEU A 41 11.656 2.218 -8.124 1.00 0.00 O ATOM 580 CB LEU A 41 8.638 3.485 -7.317 1.00 0.00 C ATOM 581 CG LEU A 41 8.004 2.176 -7.794 1.00 0.00 C ATOM 582 CD1 LEU A 41 7.477 1.373 -6.614 1.00 0.00 C ATOM 583 CD2 LEU A 41 6.889 2.460 -8.790 1.00 0.00 C ATOM 0 H LEU A 41 9.892 5.342 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 41 10.110 2.427 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.994 3.927 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.669 4.182 -8.154 1.00 0.00 H new ATOM 0 HG LEU A 41 8.771 1.583 -8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.030 0.446 -6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.298 1.140 -5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.724 1.956 -6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.448 1.520 -9.120 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.123 3.073 -8.314 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.296 2.991 -9.650 1.00 0.00 H new ATOM 595 N ARG A 42 11.276 4.392 -8.560 1.00 0.00 N ATOM 596 CA ARG A 42 12.225 4.449 -9.667 1.00 0.00 C ATOM 597 C ARG A 42 11.907 3.388 -10.716 1.00 0.00 C ATOM 598 O ARG A 42 12.014 2.190 -10.451 1.00 0.00 O ATOM 599 CB ARG A 42 13.655 4.262 -9.153 1.00 0.00 C ATOM 600 CG ARG A 42 14.652 5.237 -9.759 1.00 0.00 C ATOM 601 CD ARG A 42 14.588 5.223 -11.278 1.00 0.00 C ATOM 602 NE ARG A 42 15.704 5.944 -11.882 1.00 0.00 N ATOM 603 CZ ARG A 42 15.666 7.237 -12.193 1.00 0.00 C ATOM 604 NH1 ARG A 42 14.576 7.950 -11.944 1.00 0.00 N ATOM 605 NH2 ARG A 42 16.720 7.818 -12.748 1.00 0.00 N ATOM 0 H ARG A 42 10.799 5.273 -8.368 1.00 0.00 H new ATOM 0 HA ARG A 42 12.139 5.431 -10.133 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.660 4.377 -8.069 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.979 3.244 -9.368 1.00 0.00 H new ATOM 0 HG2 ARG A 42 14.447 6.243 -9.394 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.660 4.979 -9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 42 14.590 4.192 -11.631 1.00 0.00 H new ATOM 0 HD3 ARG A 42 13.649 5.670 -11.605 1.00 0.00 H new ATOM 0 HE ARG A 42 16.562 5.427 -12.077 1.00 0.00 H new ATOM 0 HH11 ARG A 42 13.764 7.507 -11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 42 14.549 8.941 -12.183 1.00 0.00 H new ATOM 0 HH21 ARG A 42 17.562 7.274 -12.937 1.00 0.00 H new ATOM 0 HH22 ARG A 42 16.689 8.809 -12.986 1.00 0.00 H new ATOM 619 N SER A 43 11.517 3.837 -11.907 1.00 0.00 N ATOM 620 CA SER A 43 11.183 2.931 -13.002 1.00 0.00 C ATOM 621 C SER A 43 10.174 3.569 -13.953 1.00 0.00 C ATOM 622 O SER A 43 9.303 4.329 -13.530 1.00 0.00 O ATOM 623 CB SER A 43 10.619 1.618 -12.456 1.00 0.00 C ATOM 624 OG SER A 43 9.669 1.061 -13.348 1.00 0.00 O ATOM 0 H SER A 43 11.425 4.826 -12.138 1.00 0.00 H new ATOM 0 HA SER A 43 12.099 2.725 -13.555 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.431 0.909 -12.295 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.153 1.794 -11.487 1.00 0.00 H new ATOM 0 HG SER A 43 9.574 0.102 -13.168 1.00 0.00 H new ATOM 630 N LYS A 44 10.295 3.248 -15.238 1.00 0.00 N ATOM 631 CA LYS A 44 9.393 3.783 -16.251 1.00 0.00 C ATOM 632 C LYS A 44 8.574 2.662 -16.886 1.00 0.00 C ATOM 633 O LYS A 44 7.951 2.846 -17.932 1.00 0.00 O ATOM 634 CB LYS A 44 10.188 4.525 -17.330 1.00 0.00 C ATOM 635 CG LYS A 44 9.481 5.750 -17.901 1.00 0.00 C ATOM 636 CD LYS A 44 8.006 5.792 -17.525 1.00 0.00 C ATOM 637 CE LYS A 44 7.162 6.409 -18.630 1.00 0.00 C ATOM 638 NZ LYS A 44 7.998 7.057 -19.680 1.00 0.00 N ATOM 0 H LYS A 44 11.011 2.619 -15.602 1.00 0.00 H new ATOM 0 HA LYS A 44 8.711 4.483 -15.768 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.145 4.835 -16.911 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.406 3.834 -18.144 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.972 6.653 -17.538 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.577 5.749 -18.987 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.654 4.781 -17.319 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.880 6.366 -16.607 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.542 5.637 -19.086 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.486 7.147 -18.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.391 7.620 -20.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.701 7.678 -19.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.487 6.326 -20.235 1.00 0.00 H new ATOM 652 N LYS A 45 8.583 1.497 -16.244 1.00 0.00 N ATOM 653 CA LYS A 45 7.844 0.341 -16.740 1.00 0.00 C ATOM 654 C LYS A 45 7.691 -0.713 -15.647 1.00 0.00 C ATOM 655 O LYS A 45 8.303 -0.612 -14.584 1.00 0.00 O ATOM 656 CB LYS A 45 8.551 -0.261 -17.957 1.00 0.00 C ATOM 657 CG LYS A 45 7.600 -0.692 -19.063 1.00 0.00 C ATOM 658 CD LYS A 45 6.916 0.505 -19.707 1.00 0.00 C ATOM 659 CE LYS A 45 5.488 0.180 -20.118 1.00 0.00 C ATOM 660 NZ LYS A 45 4.541 1.268 -19.747 1.00 0.00 N ATOM 0 H LYS A 45 9.095 1.329 -15.378 1.00 0.00 H new ATOM 0 HA LYS A 45 6.850 0.675 -17.039 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.253 0.471 -18.358 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.137 -1.123 -17.637 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.150 -1.249 -19.821 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.847 -1.367 -18.655 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.913 1.342 -19.009 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.484 0.822 -20.582 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.449 0.016 -21.195 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.176 -0.750 -19.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.579 1.007 -20.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.559 1.407 -18.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.823 2.150 -20.221 1.00 0.00 H new ATOM 674 N THR A 46 6.867 -1.720 -15.913 1.00 0.00 N ATOM 675 CA THR A 46 6.630 -2.790 -14.950 1.00 0.00 C ATOM 676 C THR A 46 7.871 -3.661 -14.779 1.00 0.00 C ATOM 677 O THR A 46 8.420 -4.175 -15.753 1.00 0.00 O ATOM 678 CB THR A 46 5.445 -3.648 -15.394 1.00 0.00 C ATOM 679 OG1 THR A 46 5.391 -3.739 -16.806 1.00 0.00 O ATOM 680 CG2 THR A 46 4.112 -3.116 -14.915 1.00 0.00 C ATOM 0 H THR A 46 6.352 -1.818 -16.788 1.00 0.00 H new ATOM 0 HA THR A 46 6.400 -2.333 -13.988 1.00 0.00 H new ATOM 0 HB THR A 46 5.611 -4.627 -14.944 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.627 -4.293 -17.069 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.313 -3.770 -15.264 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.104 -3.082 -13.826 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.958 -2.112 -15.310 1.00 0.00 H new ATOM 688 N MET A 47 8.305 -3.824 -13.532 1.00 0.00 N ATOM 689 CA MET A 47 9.481 -4.633 -13.230 1.00 0.00 C ATOM 690 C MET A 47 9.814 -4.578 -11.741 1.00 0.00 C ATOM 691 O MET A 47 10.768 -3.915 -11.333 1.00 0.00 O ATOM 692 CB MET A 47 10.679 -4.151 -14.052 1.00 0.00 C ATOM 693 CG MET A 47 11.177 -2.772 -13.651 1.00 0.00 C ATOM 694 SD MET A 47 12.875 -2.797 -13.044 1.00 0.00 S ATOM 695 CE MET A 47 13.614 -1.513 -14.051 1.00 0.00 C ATOM 0 H MET A 47 7.860 -3.406 -12.715 1.00 0.00 H new ATOM 0 HA MET A 47 9.259 -5.667 -13.494 1.00 0.00 H new ATOM 0 HB2 MET A 47 11.494 -4.867 -13.946 1.00 0.00 H new ATOM 0 HB3 MET A 47 10.403 -4.136 -15.106 1.00 0.00 H new ATOM 0 HG2 MET A 47 11.112 -2.103 -14.509 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.525 -2.365 -12.878 1.00 0.00 H new ATOM 0 HE1 MET A 47 14.668 -1.409 -13.792 1.00 0.00 H new ATOM 0 HE2 MET A 47 13.524 -1.779 -15.104 1.00 0.00 H new ATOM 0 HE3 MET A 47 13.101 -0.568 -13.871 1.00 0.00 H new ATOM 705 N LEU A 48 9.024 -5.279 -10.932 1.00 0.00 N ATOM 706 CA LEU A 48 9.240 -5.307 -9.488 1.00 0.00 C ATOM 707 C LEU A 48 9.557 -6.719 -9.006 1.00 0.00 C ATOM 708 O LEU A 48 8.656 -7.531 -8.797 1.00 0.00 O ATOM 709 CB LEU A 48 8.011 -4.772 -8.747 1.00 0.00 C ATOM 710 CG LEU A 48 6.688 -4.882 -9.505 1.00 0.00 C ATOM 711 CD1 LEU A 48 6.677 -3.941 -10.698 1.00 0.00 C ATOM 712 CD2 LEU A 48 6.443 -6.317 -9.949 1.00 0.00 C ATOM 0 H LEU A 48 8.230 -5.834 -11.251 1.00 0.00 H new ATOM 0 HA LEU A 48 10.094 -4.666 -9.271 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.915 -5.309 -7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.183 -3.724 -8.502 1.00 0.00 H new ATOM 0 HG LEU A 48 5.881 -4.591 -8.833 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.728 -4.033 -11.225 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.802 -2.915 -10.353 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.493 -4.199 -11.373 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.497 -6.375 -10.487 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.253 -6.639 -10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.404 -6.967 -9.075 1.00 0.00 H new ATOM 724 N VAL A 49 10.842 -7.004 -8.827 1.00 0.00 N ATOM 725 CA VAL A 49 11.273 -8.318 -8.364 1.00 0.00 C ATOM 726 C VAL A 49 12.483 -8.208 -7.445 1.00 0.00 C ATOM 727 O VAL A 49 12.833 -7.120 -6.987 1.00 0.00 O ATOM 728 CB VAL A 49 11.622 -9.246 -9.542 1.00 0.00 C ATOM 729 CG1 VAL A 49 10.511 -9.232 -10.581 1.00 0.00 C ATOM 730 CG2 VAL A 49 12.951 -8.844 -10.162 1.00 0.00 C ATOM 0 H VAL A 49 11.602 -6.345 -8.995 1.00 0.00 H new ATOM 0 HA VAL A 49 10.436 -8.745 -7.811 1.00 0.00 H new ATOM 0 HB VAL A 49 11.718 -10.264 -9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.776 -9.894 -11.406 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.582 -9.574 -10.125 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.378 -8.218 -10.958 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.181 -9.511 -10.993 1.00 0.00 H new ATOM 0 HG22 VAL A 49 12.887 -7.819 -10.527 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.738 -8.914 -9.412 1.00 0.00 H new ATOM 740 N GLN A 50 13.117 -9.346 -7.178 1.00 0.00 N ATOM 741 CA GLN A 50 14.288 -9.385 -6.310 1.00 0.00 C ATOM 742 C GLN A 50 13.916 -8.992 -4.882 1.00 0.00 C ATOM 743 O GLN A 50 14.783 -8.735 -4.047 1.00 0.00 O ATOM 744 CB GLN A 50 15.381 -8.459 -6.861 1.00 0.00 C ATOM 745 CG GLN A 50 16.198 -7.754 -5.789 1.00 0.00 C ATOM 746 CD GLN A 50 17.352 -6.959 -6.367 1.00 0.00 C ATOM 747 OE1 GLN A 50 17.189 -6.225 -7.341 1.00 0.00 O ATOM 748 NE2 GLN A 50 18.528 -7.104 -5.767 1.00 0.00 N ATOM 0 H GLN A 50 12.839 -10.254 -7.551 1.00 0.00 H new ATOM 0 HA GLN A 50 14.672 -10.405 -6.288 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.053 -9.043 -7.490 1.00 0.00 H new ATOM 0 HB3 GLN A 50 14.917 -7.709 -7.501 1.00 0.00 H new ATOM 0 HG2 GLN A 50 15.549 -7.086 -5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 50 16.585 -8.493 -5.087 1.00 0.00 H new ATOM 0 HE21 GLN A 50 18.617 -7.724 -4.962 1.00 0.00 H new ATOM 0 HE22 GLN A 50 19.342 -6.595 -6.111 1.00 0.00 H new ATOM 757 N LYS A 51 12.616 -8.951 -4.607 1.00 0.00 N ATOM 758 CA LYS A 51 12.128 -8.590 -3.280 1.00 0.00 C ATOM 759 C LYS A 51 12.939 -7.431 -2.705 1.00 0.00 C ATOM 760 O LYS A 51 13.281 -6.490 -3.423 1.00 0.00 O ATOM 761 CB LYS A 51 12.195 -9.800 -2.344 1.00 0.00 C ATOM 762 CG LYS A 51 12.022 -11.131 -3.057 1.00 0.00 C ATOM 763 CD LYS A 51 11.406 -12.178 -2.142 1.00 0.00 C ATOM 764 CE LYS A 51 11.934 -12.060 -0.721 1.00 0.00 C ATOM 765 NZ LYS A 51 10.893 -11.558 0.219 1.00 0.00 N ATOM 0 H LYS A 51 11.883 -9.163 -5.284 1.00 0.00 H new ATOM 0 HA LYS A 51 11.089 -8.272 -3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.155 -9.796 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.422 -9.702 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.389 -10.995 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.990 -11.482 -3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.322 -12.066 -2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.622 -13.173 -2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.288 -13.034 -0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.791 -11.386 -0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.344 -10.996 0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.215 -10.964 -0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.392 -12.364 0.645 1.00 0.00 H new ATOM 779 N ASN A 52 13.250 -7.501 -1.413 1.00 0.00 N ATOM 780 CA ASN A 52 14.026 -6.453 -0.758 1.00 0.00 C ATOM 781 C ASN A 52 13.121 -5.323 -0.276 1.00 0.00 C ATOM 782 O ASN A 52 12.994 -4.293 -0.937 1.00 0.00 O ATOM 783 CB ASN A 52 15.082 -5.904 -1.720 1.00 0.00 C ATOM 784 CG ASN A 52 16.219 -5.203 -1.003 1.00 0.00 C ATOM 785 OD1 ASN A 52 16.057 -4.719 0.117 1.00 0.00 O ATOM 786 ND2 ASN A 52 17.378 -5.146 -1.649 1.00 0.00 N ATOM 0 H ASN A 52 12.977 -8.270 -0.801 1.00 0.00 H new ATOM 0 HA ASN A 52 14.522 -6.887 0.110 1.00 0.00 H new ATOM 0 HB2 ASN A 52 15.484 -6.722 -2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.610 -5.207 -2.412 1.00 0.00 H new ATOM 0 HD21 ASN A 52 18.180 -4.687 -1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.466 -5.561 -2.576 1.00 0.00 H new ATOM 793 N VAL A 53 12.494 -5.523 0.880 1.00 0.00 N ATOM 794 CA VAL A 53 11.600 -4.521 1.450 1.00 0.00 C ATOM 795 C VAL A 53 11.439 -4.722 2.954 1.00 0.00 C ATOM 796 O VAL A 53 10.593 -5.498 3.399 1.00 0.00 O ATOM 797 CB VAL A 53 10.209 -4.569 0.788 1.00 0.00 C ATOM 798 CG1 VAL A 53 10.131 -3.590 -0.374 1.00 0.00 C ATOM 799 CG2 VAL A 53 9.891 -5.983 0.328 1.00 0.00 C ATOM 0 H VAL A 53 12.589 -6.370 1.440 1.00 0.00 H new ATOM 0 HA VAL A 53 12.053 -3.548 1.261 1.00 0.00 H new ATOM 0 HB VAL A 53 9.464 -4.273 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.141 -3.641 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.313 -2.579 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.884 -3.848 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.906 -6.001 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.640 -6.308 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.899 -6.655 1.186 1.00 0.00 H new ATOM 809 N THR A 54 12.257 -4.021 3.732 1.00 0.00 N ATOM 810 CA THR A 54 12.206 -4.125 5.187 1.00 0.00 C ATOM 811 C THR A 54 10.956 -3.446 5.740 1.00 0.00 C ATOM 812 O THR A 54 10.553 -2.384 5.266 1.00 0.00 O ATOM 813 CB THR A 54 13.454 -3.497 5.808 1.00 0.00 C ATOM 814 OG1 THR A 54 13.407 -3.581 7.221 1.00 0.00 O ATOM 815 CG2 THR A 54 13.633 -2.040 5.439 1.00 0.00 C ATOM 0 H THR A 54 12.963 -3.375 3.380 1.00 0.00 H new ATOM 0 HA THR A 54 12.169 -5.183 5.448 1.00 0.00 H new ATOM 0 HB THR A 54 14.295 -4.063 5.408 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.215 -3.176 7.600 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.536 -1.653 5.911 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.721 -1.947 4.357 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.771 -1.469 5.783 1.00 0.00 H new ATOM 823 N SER A 55 10.349 -4.070 6.745 1.00 0.00 N ATOM 824 CA SER A 55 9.145 -3.533 7.369 1.00 0.00 C ATOM 825 C SER A 55 9.257 -2.026 7.576 1.00 0.00 C ATOM 826 O SER A 55 10.344 -1.500 7.816 1.00 0.00 O ATOM 827 CB SER A 55 8.891 -4.222 8.711 1.00 0.00 C ATOM 828 OG SER A 55 8.979 -3.299 9.784 1.00 0.00 O ATOM 0 H SER A 55 10.673 -4.951 7.145 1.00 0.00 H new ATOM 0 HA SER A 55 8.307 -3.727 6.700 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.904 -4.684 8.705 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.617 -5.022 8.855 1.00 0.00 H new ATOM 0 HG SER A 55 8.811 -3.764 10.630 1.00 0.00 H new ATOM 834 N GLU A 56 8.124 -1.338 7.483 1.00 0.00 N ATOM 835 CA GLU A 56 8.090 0.108 7.660 1.00 0.00 C ATOM 836 C GLU A 56 7.008 0.511 8.657 1.00 0.00 C ATOM 837 O GLU A 56 5.887 0.840 8.272 1.00 0.00 O ATOM 838 CB GLU A 56 7.848 0.799 6.317 1.00 0.00 C ATOM 839 CG GLU A 56 6.730 0.170 5.502 1.00 0.00 C ATOM 840 CD GLU A 56 5.482 1.028 5.465 1.00 0.00 C ATOM 841 OE1 GLU A 56 5.583 2.236 5.764 1.00 0.00 O ATOM 842 OE2 GLU A 56 4.403 0.492 5.136 1.00 0.00 O ATOM 0 H GLU A 56 7.216 -1.760 7.286 1.00 0.00 H new ATOM 0 HA GLU A 56 9.055 0.424 8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.611 1.848 6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.769 0.775 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.079 -0.001 4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.484 -0.805 5.922 1.00 0.00 H new ATOM 849 N SER A 57 7.354 0.483 9.942 1.00 0.00 N ATOM 850 CA SER A 57 6.411 0.845 10.994 1.00 0.00 C ATOM 851 C SER A 57 5.069 0.156 10.773 1.00 0.00 C ATOM 852 O SER A 57 4.899 -0.597 9.815 1.00 0.00 O ATOM 853 CB SER A 57 6.223 2.363 11.036 1.00 0.00 C ATOM 854 OG SER A 57 6.918 2.934 12.132 1.00 0.00 O ATOM 0 H SER A 57 8.279 0.214 10.278 1.00 0.00 H new ATOM 0 HA SER A 57 6.817 0.513 11.949 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.582 2.803 10.105 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.162 2.599 11.112 1.00 0.00 H new ATOM 0 HG SER A 57 6.282 3.394 12.719 1.00 0.00 H new ATOM 860 N THR A 58 4.118 0.415 11.663 1.00 0.00 N ATOM 861 CA THR A 58 2.794 -0.185 11.555 1.00 0.00 C ATOM 862 C THR A 58 2.344 -0.238 10.099 1.00 0.00 C ATOM 863 O THR A 58 2.671 0.645 9.306 1.00 0.00 O ATOM 864 CB THR A 58 1.784 0.604 12.389 1.00 0.00 C ATOM 865 OG1 THR A 58 2.123 1.979 12.419 1.00 0.00 O ATOM 866 CG2 THR A 58 1.686 0.121 13.819 1.00 0.00 C ATOM 0 H THR A 58 4.238 1.034 12.465 1.00 0.00 H new ATOM 0 HA THR A 58 2.848 -1.204 11.938 1.00 0.00 H new ATOM 0 HB THR A 58 0.821 0.448 11.903 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.464 2.467 12.956 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.953 0.722 14.357 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.377 -0.924 13.830 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.658 0.216 14.303 1.00 0.00 H new ATOM 874 N CYS A 59 1.596 -1.280 9.751 1.00 0.00 N ATOM 875 CA CYS A 59 1.109 -1.441 8.385 1.00 0.00 C ATOM 876 C CYS A 59 -0.406 -1.304 8.323 1.00 0.00 C ATOM 877 O CYS A 59 -1.111 -1.624 9.280 1.00 0.00 O ATOM 878 CB CYS A 59 1.533 -2.796 7.815 1.00 0.00 C ATOM 879 SG CYS A 59 2.709 -3.714 8.859 1.00 0.00 S ATOM 0 H CYS A 59 1.315 -2.022 10.392 1.00 0.00 H new ATOM 0 HA CYS A 59 1.553 -0.649 7.781 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.644 -3.408 7.665 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.981 -2.640 6.834 1.00 0.00 H new ATOM 884 N CYS A 60 -0.897 -0.824 7.186 1.00 0.00 N ATOM 885 CA CYS A 60 -2.327 -0.636 6.986 1.00 0.00 C ATOM 886 C CYS A 60 -2.866 -1.619 5.955 1.00 0.00 C ATOM 887 O CYS A 60 -3.095 -1.261 4.800 1.00 0.00 O ATOM 888 CB CYS A 60 -2.609 0.798 6.541 1.00 0.00 C ATOM 889 SG CYS A 60 -1.356 1.998 7.092 1.00 0.00 S ATOM 0 H CYS A 60 -0.322 -0.557 6.387 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.833 -0.823 7.933 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.671 0.825 5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.583 1.102 6.924 1.00 0.00 H new ATOM 894 N VAL A 61 -3.069 -2.858 6.383 1.00 0.00 N ATOM 895 CA VAL A 61 -3.584 -3.893 5.500 1.00 0.00 C ATOM 896 C VAL A 61 -5.057 -3.658 5.189 1.00 0.00 C ATOM 897 O VAL A 61 -5.917 -4.424 5.621 1.00 0.00 O ATOM 898 CB VAL A 61 -3.418 -5.290 6.124 1.00 0.00 C ATOM 899 CG1 VAL A 61 -1.953 -5.699 6.137 1.00 0.00 C ATOM 900 CG2 VAL A 61 -3.999 -5.315 7.529 1.00 0.00 C ATOM 0 H VAL A 61 -2.885 -3.170 7.337 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.007 -3.845 4.576 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.965 -6.009 5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.856 -6.689 6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.572 -5.721 5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.380 -4.980 6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.874 -6.310 7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.480 -4.585 8.150 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.060 -5.068 7.488 1.00 0.00 H new ATOM 910 N ALA A 62 -5.332 -2.593 4.433 1.00 0.00 N ATOM 911 CA ALA A 62 -6.698 -2.236 4.046 1.00 0.00 C ATOM 912 C ALA A 62 -7.743 -2.954 4.899 1.00 0.00 C ATOM 913 O ALA A 62 -7.929 -4.166 4.787 1.00 0.00 O ATOM 914 CB ALA A 62 -6.914 -2.540 2.573 1.00 0.00 C ATOM 0 H ALA A 62 -4.619 -1.958 4.074 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.823 -1.167 4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.932 -2.272 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.209 -1.963 1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.756 -3.604 2.394 1.00 0.00 H new ATOM 920 N LYS A 63 -8.440 -2.189 5.735 1.00 0.00 N ATOM 921 CA LYS A 63 -9.480 -2.736 6.588 1.00 0.00 C ATOM 922 C LYS A 63 -10.491 -3.468 5.732 1.00 0.00 C ATOM 923 O LYS A 63 -11.001 -4.526 6.100 1.00 0.00 O ATOM 924 CB LYS A 63 -10.167 -1.611 7.361 1.00 0.00 C ATOM 925 CG LYS A 63 -11.054 -2.104 8.487 1.00 0.00 C ATOM 926 CD LYS A 63 -12.133 -1.089 8.830 1.00 0.00 C ATOM 927 CE LYS A 63 -12.380 -1.023 10.327 1.00 0.00 C ATOM 928 NZ LYS A 63 -12.949 0.291 10.736 1.00 0.00 N ATOM 0 H LYS A 63 -8.299 -1.184 5.837 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.037 -3.430 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.407 -0.947 7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.767 -1.019 6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.518 -3.047 8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.446 -2.303 9.370 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.838 -0.105 8.465 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.059 -1.354 8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.063 -1.821 10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.444 -1.195 10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.104 0.297 11.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.286 1.051 10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.855 0.444 10.249 1.00 0.00 H new ATOM 942 N SER A 64 -10.755 -2.888 4.572 1.00 0.00 N ATOM 943 CA SER A 64 -11.685 -3.462 3.620 1.00 0.00 C ATOM 944 C SER A 64 -11.184 -3.226 2.201 1.00 0.00 C ATOM 945 O SER A 64 -11.082 -2.086 1.752 1.00 0.00 O ATOM 946 CB SER A 64 -13.081 -2.864 3.803 1.00 0.00 C ATOM 947 OG SER A 64 -13.632 -3.233 5.055 1.00 0.00 O ATOM 0 H SER A 64 -10.332 -2.011 4.268 1.00 0.00 H new ATOM 0 HA SER A 64 -11.751 -4.536 3.797 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.027 -1.778 3.731 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.734 -3.204 3.000 1.00 0.00 H new ATOM 0 HG SER A 64 -14.524 -2.837 5.149 1.00 0.00 H new ATOM 953 N TYR A 65 -10.848 -4.307 1.512 1.00 0.00 N ATOM 954 CA TYR A 65 -10.327 -4.219 0.152 1.00 0.00 C ATOM 955 C TYR A 65 -11.369 -4.600 -0.880 1.00 0.00 C ATOM 956 O TYR A 65 -12.253 -5.412 -0.613 1.00 0.00 O ATOM 957 CB TYR A 65 -9.142 -5.169 -0.012 1.00 0.00 C ATOM 958 CG TYR A 65 -9.401 -6.543 0.564 1.00 0.00 C ATOM 959 CD1 TYR A 65 -10.188 -7.462 -0.120 1.00 0.00 C ATOM 960 CD2 TYR A 65 -8.868 -6.920 1.790 1.00 0.00 C ATOM 961 CE1 TYR A 65 -10.435 -8.718 0.401 1.00 0.00 C ATOM 962 CE2 TYR A 65 -9.112 -8.174 2.318 1.00 0.00 C ATOM 963 CZ TYR A 65 -9.895 -9.068 1.619 1.00 0.00 C ATOM 964 OH TYR A 65 -10.141 -10.316 2.141 1.00 0.00 O ATOM 0 H TYR A 65 -10.926 -5.258 1.872 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.028 -3.183 -0.007 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -8.904 -5.264 -1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.267 -4.737 0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.614 -7.190 -1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.253 -6.222 2.339 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -11.048 -9.421 -0.144 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.691 -8.452 3.273 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.687 -10.404 3.005 1.00 0.00 H new ATOM 974 N ASN A 66 -11.217 -4.066 -2.086 1.00 0.00 N ATOM 975 CA ASN A 66 -12.116 -4.429 -3.173 1.00 0.00 C ATOM 976 C ASN A 66 -11.270 -4.956 -4.305 1.00 0.00 C ATOM 977 O ASN A 66 -11.630 -4.906 -5.480 1.00 0.00 O ATOM 978 CB ASN A 66 -12.975 -3.251 -3.623 1.00 0.00 C ATOM 979 CG ASN A 66 -14.452 -3.479 -3.370 1.00 0.00 C ATOM 980 OD1 ASN A 66 -14.884 -3.605 -2.225 1.00 0.00 O ATOM 981 ND2 ASN A 66 -15.235 -3.538 -4.442 1.00 0.00 N ATOM 0 H ASN A 66 -10.493 -3.392 -2.333 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.815 -5.193 -2.833 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.655 -2.351 -3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -12.815 -3.074 -4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.237 -3.693 -4.334 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -14.834 -3.428 -5.373 1.00 0.00 H new ATOM 988 N ARG A 67 -10.127 -5.453 -3.882 1.00 0.00 N ATOM 989 CA ARG A 67 -9.113 -6.022 -4.756 1.00 0.00 C ATOM 990 C ARG A 67 -9.583 -6.080 -6.197 1.00 0.00 C ATOM 991 O ARG A 67 -10.437 -6.887 -6.564 1.00 0.00 O ATOM 992 CB ARG A 67 -8.747 -7.411 -4.270 1.00 0.00 C ATOM 993 CG ARG A 67 -9.954 -8.171 -3.789 1.00 0.00 C ATOM 994 CD ARG A 67 -9.725 -9.674 -3.811 1.00 0.00 C ATOM 995 NE ARG A 67 -10.898 -10.402 -4.286 1.00 0.00 N ATOM 996 CZ ARG A 67 -11.064 -11.710 -4.124 1.00 0.00 C ATOM 997 NH1 ARG A 67 -10.138 -12.423 -3.498 1.00 0.00 N ATOM 998 NH2 ARG A 67 -12.156 -12.306 -4.585 1.00 0.00 N ATOM 0 H ARG A 67 -9.867 -5.475 -2.896 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.235 -5.377 -4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.267 -7.964 -5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.020 -7.333 -3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.200 -7.856 -2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.811 -7.925 -4.416 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.874 -9.901 -4.453 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.468 -10.016 -2.808 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.629 -9.878 -4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.298 -11.967 -3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.265 -13.427 -3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.871 -11.760 -5.065 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.281 -13.311 -4.459 1.00 0.00 H new ATOM 1012 N VAL A 68 -9.001 -5.215 -6.998 1.00 0.00 N ATOM 1013 CA VAL A 68 -9.318 -5.132 -8.413 1.00 0.00 C ATOM 1014 C VAL A 68 -8.163 -5.673 -9.238 1.00 0.00 C ATOM 1015 O VAL A 68 -7.701 -5.031 -10.181 1.00 0.00 O ATOM 1016 CB VAL A 68 -9.617 -3.679 -8.832 1.00 0.00 C ATOM 1017 CG1 VAL A 68 -10.575 -3.029 -7.847 1.00 0.00 C ATOM 1018 CG2 VAL A 68 -8.330 -2.871 -8.933 1.00 0.00 C ATOM 0 H VAL A 68 -8.294 -4.548 -6.690 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.209 -5.733 -8.594 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.088 -3.697 -9.815 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.776 -2.004 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.509 -3.590 -7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.128 -3.026 -6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.565 -1.849 -9.230 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.829 -2.862 -7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.674 -3.323 -9.677 1.00 0.00 H new ATOM 1028 N THR A 69 -7.695 -6.857 -8.856 1.00 0.00 N ATOM 1029 CA THR A 69 -6.579 -7.502 -9.533 1.00 0.00 C ATOM 1030 C THR A 69 -6.443 -7.003 -10.960 1.00 0.00 C ATOM 1031 O THR A 69 -7.345 -7.161 -11.783 1.00 0.00 O ATOM 1032 CB THR A 69 -6.731 -9.018 -9.529 1.00 0.00 C ATOM 1033 OG1 THR A 69 -6.592 -9.536 -8.217 1.00 0.00 O ATOM 1034 CG2 THR A 69 -5.708 -9.703 -10.408 1.00 0.00 C ATOM 0 H THR A 69 -8.076 -7.391 -8.075 1.00 0.00 H new ATOM 0 HA THR A 69 -5.675 -7.242 -8.983 1.00 0.00 H new ATOM 0 HB THR A 69 -7.729 -9.220 -9.919 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.695 -10.510 -8.237 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.860 -10.782 -10.370 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.821 -9.357 -11.435 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.705 -9.465 -10.053 1.00 0.00 H new ATOM 1042 N VAL A 70 -5.306 -6.395 -11.233 1.00 0.00 N ATOM 1043 CA VAL A 70 -5.020 -5.848 -12.550 1.00 0.00 C ATOM 1044 C VAL A 70 -3.729 -6.398 -13.117 1.00 0.00 C ATOM 1045 O VAL A 70 -3.214 -7.423 -12.673 1.00 0.00 O ATOM 1046 CB VAL A 70 -4.902 -4.316 -12.520 1.00 0.00 C ATOM 1047 CG1 VAL A 70 -5.839 -3.691 -13.542 1.00 0.00 C ATOM 1048 CG2 VAL A 70 -5.178 -3.770 -11.123 1.00 0.00 C ATOM 0 H VAL A 70 -4.556 -6.265 -10.554 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.859 -6.143 -13.180 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.878 -4.049 -12.783 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.743 -2.606 -13.508 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.580 -4.047 -14.539 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.867 -3.972 -13.313 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.087 -2.684 -11.132 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.187 -4.047 -10.817 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.458 -4.188 -10.420 1.00 0.00 H new ATOM 1058 N MET A 71 -3.229 -5.687 -14.113 1.00 0.00 N ATOM 1059 CA MET A 71 -1.997 -6.045 -14.798 1.00 0.00 C ATOM 1060 C MET A 71 -1.193 -7.089 -14.027 1.00 0.00 C ATOM 1061 O MET A 71 -0.918 -6.925 -12.839 1.00 0.00 O ATOM 1062 CB MET A 71 -1.138 -4.799 -15.021 1.00 0.00 C ATOM 1063 CG MET A 71 -1.236 -3.785 -13.894 1.00 0.00 C ATOM 1064 SD MET A 71 0.110 -2.586 -13.920 1.00 0.00 S ATOM 1065 CE MET A 71 1.333 -3.430 -12.921 1.00 0.00 C ATOM 0 H MET A 71 -3.669 -4.840 -14.472 1.00 0.00 H new ATOM 0 HA MET A 71 -2.276 -6.481 -15.758 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.097 -5.101 -15.138 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.438 -4.323 -15.954 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.188 -3.259 -13.966 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.233 -4.309 -12.938 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.995 -2.697 -12.461 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.832 -4.006 -12.143 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.917 -4.101 -13.551 1.00 0.00 H new ATOM 1075 N GLY A 72 -0.810 -8.158 -14.718 1.00 0.00 N ATOM 1076 CA GLY A 72 -0.031 -9.210 -14.093 1.00 0.00 C ATOM 1077 C GLY A 72 -0.676 -9.753 -12.834 1.00 0.00 C ATOM 1078 O GLY A 72 0.017 -10.150 -11.898 1.00 0.00 O ATOM 0 H GLY A 72 -1.026 -8.314 -15.702 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.107 -10.024 -14.804 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.960 -8.826 -13.851 1.00 0.00 H new ATOM 1082 N GLY A 73 -2.004 -9.773 -12.808 1.00 0.00 N ATOM 1083 CA GLY A 73 -2.708 -10.275 -11.646 1.00 0.00 C ATOM 1084 C GLY A 73 -2.462 -9.425 -10.417 1.00 0.00 C ATOM 1085 O GLY A 73 -2.532 -9.915 -9.290 1.00 0.00 O ATOM 0 H GLY A 73 -2.603 -9.451 -13.569 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.777 -10.306 -11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.393 -11.299 -11.447 1.00 0.00 H new ATOM 1089 N PHE A 74 -2.169 -8.146 -10.637 1.00 0.00 N ATOM 1090 CA PHE A 74 -1.907 -7.220 -9.541 1.00 0.00 C ATOM 1091 C PHE A 74 -2.966 -7.358 -8.455 1.00 0.00 C ATOM 1092 O PHE A 74 -3.872 -8.185 -8.560 1.00 0.00 O ATOM 1093 CB PHE A 74 -1.869 -5.778 -10.056 1.00 0.00 C ATOM 1094 CG PHE A 74 -0.485 -5.193 -10.119 1.00 0.00 C ATOM 1095 CD1 PHE A 74 0.592 -5.966 -10.522 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -0.263 -3.867 -9.777 1.00 0.00 C ATOM 1097 CE1 PHE A 74 1.865 -5.429 -10.582 1.00 0.00 C ATOM 1098 CE2 PHE A 74 1.008 -3.325 -9.836 1.00 0.00 C ATOM 1099 CZ PHE A 74 2.073 -4.107 -10.239 1.00 0.00 C ATOM 0 H PHE A 74 -2.107 -7.728 -11.565 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.935 -7.467 -9.113 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.313 -5.745 -11.051 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.488 -5.155 -9.410 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.436 -7.000 -10.792 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.092 -3.251 -9.461 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.696 -6.043 -10.897 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.168 -2.291 -9.567 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.066 -3.686 -10.286 1.00 0.00 H new ATOM 1109 N LYS A 75 -2.850 -6.547 -7.409 1.00 0.00 N ATOM 1110 CA LYS A 75 -3.805 -6.594 -6.310 1.00 0.00 C ATOM 1111 C LYS A 75 -3.765 -5.318 -5.474 1.00 0.00 C ATOM 1112 O LYS A 75 -2.888 -5.140 -4.628 1.00 0.00 O ATOM 1113 CB LYS A 75 -3.531 -7.808 -5.424 1.00 0.00 C ATOM 1114 CG LYS A 75 -4.257 -9.064 -5.878 1.00 0.00 C ATOM 1115 CD LYS A 75 -5.115 -9.643 -4.766 1.00 0.00 C ATOM 1116 CE LYS A 75 -4.743 -11.087 -4.472 1.00 0.00 C ATOM 1117 NZ LYS A 75 -3.554 -11.186 -3.581 1.00 0.00 N ATOM 0 H LYS A 75 -2.109 -5.854 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.802 -6.679 -6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.459 -8.003 -5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.827 -7.576 -4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.883 -8.832 -6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.530 -9.808 -6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.996 -9.044 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.166 -9.587 -5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.589 -11.592 -4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.539 -11.607 -5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.334 -12.187 -3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.739 -10.727 -4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.757 -10.713 -2.677 1.00 0.00 H new ATOM 1131 N VAL A 76 -4.734 -4.442 -5.714 1.00 0.00 N ATOM 1132 CA VAL A 76 -4.844 -3.178 -4.986 1.00 0.00 C ATOM 1133 C VAL A 76 -5.843 -3.308 -3.884 1.00 0.00 C ATOM 1134 O VAL A 76 -6.333 -2.313 -3.349 1.00 0.00 O ATOM 1135 CB VAL A 76 -5.341 -2.053 -5.909 1.00 0.00 C ATOM 1136 CG1 VAL A 76 -4.267 -1.677 -6.920 1.00 0.00 C ATOM 1137 CG2 VAL A 76 -6.596 -2.556 -6.612 1.00 0.00 C ATOM 0 H VAL A 76 -5.463 -4.584 -6.414 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.854 -2.941 -4.597 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.567 -1.157 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.637 -0.879 -7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.376 -1.334 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.018 -2.547 -7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.976 -1.780 -7.277 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.355 -3.446 -7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.355 -2.802 -5.870 1.00 0.00 H new ATOM 1147 N GLU A 77 -6.168 -4.540 -3.585 1.00 0.00 N ATOM 1148 CA GLU A 77 -7.171 -4.829 -2.572 1.00 0.00 C ATOM 1149 C GLU A 77 -8.137 -3.664 -2.548 1.00 0.00 C ATOM 1150 O GLU A 77 -8.596 -3.230 -1.495 1.00 0.00 O ATOM 1151 CB GLU A 77 -6.518 -5.024 -1.202 1.00 0.00 C ATOM 1152 CG GLU A 77 -6.783 -6.384 -0.586 1.00 0.00 C ATOM 1153 CD GLU A 77 -5.617 -7.337 -0.755 1.00 0.00 C ATOM 1154 OE1 GLU A 77 -5.135 -7.487 -1.898 1.00 0.00 O ATOM 1155 OE2 GLU A 77 -5.184 -7.931 0.254 1.00 0.00 O ATOM 0 H GLU A 77 -5.757 -5.364 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.697 -5.754 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.442 -4.883 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.880 -4.251 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.997 -6.262 0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.672 -6.819 -1.043 1.00 0.00 H new ATOM 1162 N ASN A 78 -8.388 -3.148 -3.751 1.00 0.00 N ATOM 1163 CA ASN A 78 -9.234 -1.986 -3.962 1.00 0.00 C ATOM 1164 C ASN A 78 -9.593 -1.397 -2.615 1.00 0.00 C ATOM 1165 O ASN A 78 -10.760 -1.308 -2.239 1.00 0.00 O ATOM 1166 CB ASN A 78 -10.485 -2.367 -4.735 1.00 0.00 C ATOM 1167 CG ASN A 78 -11.164 -1.178 -5.370 1.00 0.00 C ATOM 1168 OD1 ASN A 78 -11.551 -1.214 -6.536 1.00 0.00 O ATOM 1169 ND2 ASN A 78 -11.325 -0.118 -4.601 1.00 0.00 N ATOM 0 H ASN A 78 -8.002 -3.534 -4.613 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.697 -1.244 -4.553 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.223 -3.087 -5.510 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.185 -2.863 -4.063 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.786 0.714 -4.969 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.988 -0.131 -3.638 1.00 0.00 H new ATOM 1176 N HIS A 79 -8.553 -1.065 -1.876 1.00 0.00 N ATOM 1177 CA HIS A 79 -8.693 -0.555 -0.531 1.00 0.00 C ATOM 1178 C HIS A 79 -9.893 0.336 -0.343 1.00 0.00 C ATOM 1179 O HIS A 79 -9.953 1.470 -0.816 1.00 0.00 O ATOM 1180 CB HIS A 79 -7.424 0.151 -0.081 1.00 0.00 C ATOM 1181 CG HIS A 79 -6.278 -0.774 -0.117 1.00 0.00 C ATOM 1182 ND1 HIS A 79 -5.015 -0.480 0.315 1.00 0.00 N ATOM 1183 CD2 HIS A 79 -6.251 -2.037 -0.565 1.00 0.00 C ATOM 1184 CE1 HIS A 79 -4.258 -1.565 0.113 1.00 0.00 C ATOM 1185 NE2 HIS A 79 -4.964 -2.546 -0.421 1.00 0.00 N ATOM 0 H HIS A 79 -7.587 -1.142 -2.194 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.860 -1.427 0.101 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.228 1.007 -0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.555 0.538 0.930 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.094 -2.574 -0.973 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.207 -1.630 0.355 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.636 -3.478 -0.674 1.00 0.00 H new ATOM 1193 N THR A 80 -10.827 -0.198 0.403 1.00 0.00 N ATOM 1194 CA THR A 80 -12.043 0.517 0.745 1.00 0.00 C ATOM 1195 C THR A 80 -11.880 1.128 2.128 1.00 0.00 C ATOM 1196 O THR A 80 -12.598 2.052 2.509 1.00 0.00 O ATOM 1197 CB THR A 80 -13.243 -0.424 0.705 1.00 0.00 C ATOM 1198 OG1 THR A 80 -13.534 -0.928 1.995 1.00 0.00 O ATOM 1199 CG2 THR A 80 -13.026 -1.600 -0.215 1.00 0.00 C ATOM 0 H THR A 80 -10.772 -1.139 0.793 1.00 0.00 H new ATOM 0 HA THR A 80 -12.220 1.310 0.019 1.00 0.00 H new ATOM 0 HB THR A 80 -14.075 0.171 0.329 1.00 0.00 H new ATOM 0 HG1 THR A 80 -14.395 -1.396 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.910 -2.237 -0.206 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.848 -1.241 -1.229 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.163 -2.173 0.124 1.00 0.00 H new ATOM 1207 N ALA A 81 -10.901 0.605 2.865 1.00 0.00 N ATOM 1208 CA ALA A 81 -10.589 1.084 4.204 1.00 0.00 C ATOM 1209 C ALA A 81 -9.215 0.580 4.622 1.00 0.00 C ATOM 1210 O ALA A 81 -8.822 -0.525 4.254 1.00 0.00 O ATOM 1211 CB ALA A 81 -11.651 0.637 5.199 1.00 0.00 C ATOM 0 H ALA A 81 -10.305 -0.160 2.549 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.579 2.174 4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.397 1.006 6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.620 1.036 4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.697 -0.452 5.217 1.00 0.00 H new ATOM 1217 N CYS A 82 -8.480 1.388 5.377 1.00 0.00 N ATOM 1218 CA CYS A 82 -7.148 0.997 5.822 1.00 0.00 C ATOM 1219 C CYS A 82 -6.990 1.172 7.329 1.00 0.00 C ATOM 1220 O CYS A 82 -7.572 2.078 7.925 1.00 0.00 O ATOM 1221 CB CYS A 82 -6.075 1.790 5.079 1.00 0.00 C ATOM 1222 SG CYS A 82 -4.866 0.731 4.221 1.00 0.00 S ATOM 0 H CYS A 82 -8.781 2.311 5.692 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.022 -0.061 5.592 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.555 2.445 4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -5.549 2.430 5.788 1.00 0.00 H new ATOM 1227 N HIS A 83 -6.203 0.288 7.936 1.00 0.00 N ATOM 1228 CA HIS A 83 -5.964 0.325 9.375 1.00 0.00 C ATOM 1229 C HIS A 83 -4.525 -0.068 9.695 1.00 0.00 C ATOM 1230 O HIS A 83 -4.120 -1.206 9.458 1.00 0.00 O ATOM 1231 CB HIS A 83 -6.921 -0.627 10.090 1.00 0.00 C ATOM 1232 CG HIS A 83 -6.920 -2.007 9.513 1.00 0.00 C ATOM 1233 ND1 HIS A 83 -6.808 -3.146 10.281 1.00 0.00 N ATOM 1234 CD2 HIS A 83 -7.021 -2.429 8.231 1.00 0.00 C ATOM 1235 CE1 HIS A 83 -6.840 -4.208 9.496 1.00 0.00 C ATOM 1236 NE2 HIS A 83 -6.969 -3.801 8.247 1.00 0.00 N ATOM 0 H HIS A 83 -5.718 -0.466 7.450 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.136 1.344 9.722 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.649 -0.681 11.144 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.931 -0.221 10.041 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -7.124 -1.803 7.357 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -6.772 -5.236 9.821 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -7.021 -4.407 7.428 1.00 0.00 H new ATOM 1245 N CYS A 84 -3.757 0.872 10.233 1.00 0.00 N ATOM 1246 CA CYS A 84 -2.362 0.611 10.581 1.00 0.00 C ATOM 1247 C CYS A 84 -2.257 -0.443 11.684 1.00 0.00 C ATOM 1248 O CYS A 84 -3.239 -0.751 12.358 1.00 0.00 O ATOM 1249 CB CYS A 84 -1.673 1.904 11.029 1.00 0.00 C ATOM 1250 SG CYS A 84 -0.197 2.338 10.050 1.00 0.00 S ATOM 0 H CYS A 84 -4.074 1.820 10.438 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.862 0.229 9.691 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -2.389 2.724 10.970 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -1.386 1.806 12.076 1.00 0.00 H new ATOM 1255 N SER A 85 -1.057 -0.992 11.856 1.00 0.00 N ATOM 1256 CA SER A 85 -0.811 -2.010 12.875 1.00 0.00 C ATOM 1257 C SER A 85 -1.266 -3.386 12.400 1.00 0.00 C ATOM 1258 O SER A 85 -1.908 -3.512 11.357 1.00 0.00 O ATOM 1259 CB SER A 85 -1.524 -1.645 14.179 1.00 0.00 C ATOM 1260 OG SER A 85 -2.493 -2.621 14.521 1.00 0.00 O ATOM 0 H SER A 85 -0.237 -0.748 11.301 1.00 0.00 H new ATOM 0 HA SER A 85 0.263 -2.048 13.056 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.794 -1.555 14.983 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.004 -0.672 14.075 1.00 0.00 H new ATOM 0 HG SER A 85 -3.321 -2.448 14.026 1.00 0.00 H new ATOM 1266 N THR A 86 -0.922 -4.413 13.174 1.00 0.00 N ATOM 1267 CA THR A 86 -1.288 -5.787 12.841 1.00 0.00 C ATOM 1268 C THR A 86 -0.680 -6.201 11.505 1.00 0.00 C ATOM 1269 O THR A 86 -1.215 -5.883 10.442 1.00 0.00 O ATOM 1270 CB THR A 86 -2.810 -5.941 12.801 1.00 0.00 C ATOM 1271 OG1 THR A 86 -3.368 -5.191 11.737 1.00 0.00 O ATOM 1272 CG2 THR A 86 -3.489 -5.500 14.081 1.00 0.00 C ATOM 0 H THR A 86 -0.389 -4.319 14.038 1.00 0.00 H new ATOM 0 HA THR A 86 -0.891 -6.442 13.617 1.00 0.00 H new ATOM 0 HB THR A 86 -2.986 -7.008 12.662 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.648 -4.781 11.213 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.566 -5.635 13.986 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.120 -6.099 14.914 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.270 -4.448 14.265 1.00 0.00 H new ATOM 1280 N CYS A 87 0.445 -6.908 11.565 1.00 0.00 N ATOM 1281 CA CYS A 87 1.129 -7.359 10.357 1.00 0.00 C ATOM 1282 C CYS A 87 1.574 -8.814 10.478 1.00 0.00 C ATOM 1283 O CYS A 87 2.436 -9.270 9.727 1.00 0.00 O ATOM 1284 CB CYS A 87 2.340 -6.468 10.073 1.00 0.00 C ATOM 1285 SG CYS A 87 2.303 -5.658 8.443 1.00 0.00 S ATOM 0 H CYS A 87 0.902 -7.181 12.435 1.00 0.00 H new ATOM 0 HA CYS A 87 0.424 -7.288 9.529 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.403 -5.702 10.846 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.246 -7.070 10.147 1.00 0.00 H new ATOM 1290 N TYR A 88 0.985 -9.540 11.422 1.00 0.00 N ATOM 1291 CA TYR A 88 1.331 -10.943 11.625 1.00 0.00 C ATOM 1292 C TYR A 88 0.081 -11.790 11.845 1.00 0.00 C ATOM 1293 O TYR A 88 -0.491 -11.799 12.935 1.00 0.00 O ATOM 1294 CB TYR A 88 2.279 -11.097 12.817 1.00 0.00 C ATOM 1295 CG TYR A 88 2.848 -9.789 13.322 1.00 0.00 C ATOM 1296 CD1 TYR A 88 2.041 -8.862 13.969 1.00 0.00 C ATOM 1297 CD2 TYR A 88 4.194 -9.485 13.155 1.00 0.00 C ATOM 1298 CE1 TYR A 88 2.559 -7.668 14.435 1.00 0.00 C ATOM 1299 CE2 TYR A 88 4.718 -8.293 13.618 1.00 0.00 C ATOM 1300 CZ TYR A 88 3.897 -7.389 14.257 1.00 0.00 C ATOM 1301 OH TYR A 88 4.417 -6.201 14.720 1.00 0.00 O ATOM 0 H TYR A 88 0.270 -9.183 12.056 1.00 0.00 H new ATOM 0 HA TYR A 88 1.833 -11.295 10.724 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.746 -11.588 13.631 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.101 -11.754 12.532 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.992 -9.077 14.110 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.840 -10.191 12.656 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.918 -6.957 14.936 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.766 -8.071 13.480 1.00 0.00 H new ATOM 0 HH TYR A 88 5.375 -6.161 14.515 1.00 0.00 H new ATOM 1311 N TYR A 89 -0.334 -12.507 10.803 1.00 0.00 N ATOM 1312 CA TYR A 89 -1.511 -13.365 10.884 1.00 0.00 C ATOM 1313 C TYR A 89 -1.116 -14.831 10.734 1.00 0.00 C ATOM 1314 O TYR A 89 -1.943 -15.675 10.390 1.00 0.00 O ATOM 1315 CB TYR A 89 -2.528 -12.989 9.802 1.00 0.00 C ATOM 1316 CG TYR A 89 -3.290 -11.713 10.091 1.00 0.00 C ATOM 1317 CD1 TYR A 89 -3.123 -11.034 11.292 1.00 0.00 C ATOM 1318 CD2 TYR A 89 -4.179 -11.189 9.159 1.00 0.00 C ATOM 1319 CE1 TYR A 89 -3.819 -9.868 11.554 1.00 0.00 C ATOM 1320 CE2 TYR A 89 -4.877 -10.025 9.415 1.00 0.00 C ATOM 1321 CZ TYR A 89 -4.694 -9.369 10.613 1.00 0.00 C ATOM 1322 OH TYR A 89 -5.388 -8.209 10.871 1.00 0.00 O ATOM 0 H TYR A 89 0.128 -12.510 9.894 1.00 0.00 H new ATOM 0 HA TYR A 89 -1.968 -13.220 11.863 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.008 -12.882 8.850 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.239 -13.807 9.686 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.439 -11.423 12.032 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.326 -11.701 8.219 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.678 -9.351 12.492 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.563 -9.631 8.680 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.961 -7.993 10.106 1.00 0.00 H new ATOM 1332 N HIS A 90 0.154 -15.124 10.994 1.00 0.00 N ATOM 1333 CA HIS A 90 0.661 -16.487 10.888 1.00 0.00 C ATOM 1334 C HIS A 90 0.384 -17.065 9.504 1.00 0.00 C ATOM 1335 O HIS A 90 -0.304 -18.076 9.368 1.00 0.00 O ATOM 1336 CB HIS A 90 0.027 -17.372 11.963 1.00 0.00 C ATOM 1337 CG HIS A 90 0.724 -17.295 13.286 1.00 0.00 C ATOM 1338 ND1 HIS A 90 1.338 -16.149 13.748 1.00 0.00 N ATOM 1339 CD2 HIS A 90 0.905 -18.230 14.248 1.00 0.00 C ATOM 1340 CE1 HIS A 90 1.865 -16.383 14.937 1.00 0.00 C ATOM 1341 NE2 HIS A 90 1.616 -17.638 15.262 1.00 0.00 N ATOM 0 H HIS A 90 0.851 -14.436 11.280 1.00 0.00 H new ATOM 0 HA HIS A 90 1.740 -16.461 11.039 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -1.016 -17.082 12.093 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.030 -18.406 11.619 1.00 0.00 H new ATOM 0 HD2 HIS A 90 0.555 -19.251 14.222 1.00 0.00 H new ATOM 0 HE1 HIS A 90 2.407 -15.669 15.540 1.00 0.00 H new ATOM 0 HE2 HIS A 90 1.905 -18.094 16.127 1.00 0.00 H new ATOM 1350 N LYS A 91 0.924 -16.415 8.478 1.00 0.00 N ATOM 1351 CA LYS A 91 0.733 -16.866 7.104 1.00 0.00 C ATOM 1352 C LYS A 91 1.938 -17.667 6.622 1.00 0.00 C ATOM 1353 O LYS A 91 3.075 -17.199 6.690 1.00 0.00 O ATOM 1354 CB LYS A 91 0.499 -15.670 6.179 1.00 0.00 C ATOM 1355 CG LYS A 91 -0.685 -15.847 5.241 1.00 0.00 C ATOM 1356 CD LYS A 91 -0.321 -15.497 3.805 1.00 0.00 C ATOM 1357 CE LYS A 91 0.201 -16.708 3.051 1.00 0.00 C ATOM 1358 NZ LYS A 91 0.085 -16.538 1.575 1.00 0.00 N ATOM 0 H LYS A 91 1.496 -15.576 8.572 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.144 -17.512 7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.341 -14.778 6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.398 -15.498 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.035 -16.878 5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.509 -15.215 5.572 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.197 -15.099 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.435 -14.712 3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.245 -16.878 3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.354 -17.594 3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.452 -17.386 1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.914 -16.401 1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.636 -15.708 1.277 1.00 0.00 H new ATOM 1372 N SER A 92 1.681 -18.877 6.133 1.00 0.00 N ATOM 1373 CA SER A 92 2.745 -19.745 5.638 1.00 0.00 C ATOM 1374 C SER A 92 3.999 -19.611 6.496 1.00 0.00 C ATOM 1375 O SER A 92 4.898 -18.833 6.112 1.00 0.00 O ATOM 1376 CB SER A 92 3.071 -19.409 4.181 1.00 0.00 C ATOM 1377 OG SER A 92 4.136 -20.212 3.697 1.00 0.00 O ATOM 1378 OXT SER A 92 4.073 -20.286 7.544 1.00 0.00 O ATOM 0 H SER A 92 0.746 -19.278 6.069 1.00 0.00 H new ATOM 0 HA SER A 92 2.395 -20.776 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.186 -19.562 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.339 -18.356 4.099 1.00 0.00 H new ATOM 0 HG SER A 92 4.324 -19.979 2.764 1.00 0.00 H new TER 1384 SER A 92