USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 475 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 31 CYS SG : rot 149:sc= -7.95! USER MOD Set 1.2: A 34 HIS : no HD1:sc= -28! C(o=-41!,f=-38!) USER MOD Set 1.3: A 37 THR OG1 : rot 73:sc= -0.194! USER MOD Set 1.4: A 86 CYS SG : rot -104:sc= -5.56 USER MOD Set 1.5: A 88 SER OG : rot 180:sc= -0.017 USER MOD Set 1.6: A 89 CYS SG : rot 180:sc= 0.281 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -103:sc= 0.585 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0322 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 138:sc= -1.69 (180deg=-3.26!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 79:sc= -7.98! USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 3.671 -1.800 -5.278 1.00 0.00 N ATOM 29 CA ALA A 18 4.882 -2.029 -6.047 1.00 0.00 C ATOM 30 C ALA A 18 5.470 -3.391 -5.672 1.00 0.00 C ATOM 31 O ALA A 18 6.106 -4.045 -6.497 1.00 0.00 O ATOM 32 CB ALA A 18 5.866 -0.882 -5.803 1.00 0.00 C ATOM 0 HA ALA A 18 4.661 -2.048 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.775 -1.053 -6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.412 0.059 -6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.113 -0.834 -4.742 1.00 0.00 H new ATOM 38 N VAL A 19 5.237 -3.777 -4.426 1.00 0.00 N ATOM 39 CA VAL A 19 5.735 -5.049 -3.931 1.00 0.00 C ATOM 40 C VAL A 19 4.917 -6.187 -4.547 1.00 0.00 C ATOM 41 O VAL A 19 5.478 -7.176 -5.016 1.00 0.00 O ATOM 42 CB VAL A 19 5.717 -5.059 -2.402 1.00 0.00 C ATOM 43 CG1 VAL A 19 4.282 -5.042 -1.870 1.00 0.00 C ATOM 44 CG2 VAL A 19 6.491 -6.259 -1.852 1.00 0.00 C ATOM 0 H VAL A 19 4.710 -3.231 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 19 6.773 -5.196 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 19 6.214 -4.153 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.298 -5.050 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.775 -4.142 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.750 -5.922 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.462 -6.242 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.036 -7.182 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.527 -6.209 -2.189 1.00 0.00 H new ATOM 54 N TYR A 20 3.604 -6.008 -4.524 1.00 0.00 N ATOM 55 CA TYR A 20 2.704 -7.007 -5.074 1.00 0.00 C ATOM 56 C TYR A 20 2.855 -7.105 -6.593 1.00 0.00 C ATOM 57 O TYR A 20 2.756 -8.191 -7.162 1.00 0.00 O ATOM 58 CB TYR A 20 1.289 -6.526 -4.744 1.00 0.00 C ATOM 59 CG TYR A 20 0.750 -7.048 -3.411 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.615 -7.583 -2.479 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.602 -6.983 -3.141 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.108 -8.074 -1.224 1.00 0.00 C ATOM 63 CE2 TYR A 20 -1.110 -7.474 -1.886 1.00 0.00 C ATOM 64 CZ TYR A 20 -0.230 -7.996 -0.989 1.00 0.00 C ATOM 65 OH TYR A 20 -0.709 -8.459 0.196 1.00 0.00 O ATOM 0 H TYR A 20 3.143 -5.187 -4.133 1.00 0.00 H new ATOM 0 HA TYR A 20 2.920 -7.990 -4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.282 -5.436 -4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.615 -6.836 -5.543 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.673 -7.634 -2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.279 -6.564 -3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.775 -8.495 -0.486 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.166 -7.429 -1.662 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.681 -8.338 0.226 1.00 0.00 H new ATOM 75 N ILE A 21 3.093 -5.955 -7.208 1.00 0.00 N ATOM 76 CA ILE A 21 3.259 -5.897 -8.650 1.00 0.00 C ATOM 77 C ILE A 21 4.642 -6.435 -9.022 1.00 0.00 C ATOM 78 O ILE A 21 4.784 -7.171 -9.997 1.00 0.00 O ATOM 79 CB ILE A 21 2.991 -4.481 -9.164 1.00 0.00 C ATOM 80 CG1 ILE A 21 2.176 -4.513 -10.459 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.297 -3.701 -9.327 1.00 0.00 C ATOM 82 CD1 ILE A 21 2.762 -5.519 -11.451 1.00 0.00 C ATOM 0 H ILE A 21 3.175 -5.056 -6.733 1.00 0.00 H new ATOM 0 HA ILE A 21 2.525 -6.534 -9.144 1.00 0.00 H new ATOM 0 HB ILE A 21 2.393 -3.955 -8.420 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.142 -4.777 -10.236 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.162 -3.520 -10.908 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.078 -2.698 -9.693 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.803 -3.633 -8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.941 -4.215 -10.040 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.164 -5.522 -12.362 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.788 -5.238 -11.691 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.752 -6.515 -11.008 1.00 0.00 H new ATOM 94 N ALA A 22 5.627 -6.046 -8.225 1.00 0.00 N ATOM 95 CA ALA A 22 6.994 -6.479 -8.458 1.00 0.00 C ATOM 96 C ALA A 22 7.095 -7.986 -8.212 1.00 0.00 C ATOM 97 O ALA A 22 7.814 -8.688 -8.922 1.00 0.00 O ATOM 98 CB ALA A 22 7.943 -5.677 -7.566 1.00 0.00 C ATOM 0 H ALA A 22 5.505 -5.435 -7.417 1.00 0.00 H new ATOM 0 HA ALA A 22 7.285 -6.293 -9.492 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.969 -6.002 -7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.853 -4.616 -7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.684 -5.840 -6.520 1.00 0.00 H new ATOM 104 N ILE A 23 6.365 -8.439 -7.204 1.00 0.00 N ATOM 105 CA ILE A 23 6.364 -9.849 -6.855 1.00 0.00 C ATOM 106 C ILE A 23 5.405 -10.599 -7.782 1.00 0.00 C ATOM 107 O ILE A 23 5.519 -11.812 -7.949 1.00 0.00 O ATOM 108 CB ILE A 23 6.051 -10.033 -5.368 1.00 0.00 C ATOM 109 CG1 ILE A 23 4.589 -9.696 -5.070 1.00 0.00 C ATOM 110 CG2 ILE A 23 7.015 -9.222 -4.501 1.00 0.00 C ATOM 111 CD1 ILE A 23 3.732 -10.963 -5.026 1.00 0.00 C ATOM 0 H ILE A 23 5.770 -7.854 -6.617 1.00 0.00 H new ATOM 0 HA ILE A 23 7.354 -10.279 -7.005 1.00 0.00 H new ATOM 0 HB ILE A 23 6.197 -11.083 -5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.520 -9.173 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.205 -9.019 -5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.771 -9.370 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.037 -9.552 -4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.925 -8.164 -4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.697 -10.695 -4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.784 -11.471 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.104 -11.627 -4.245 1.00 0.00 H new ATOM 123 N GLU A 24 4.482 -9.845 -8.362 1.00 0.00 N ATOM 124 CA GLU A 24 3.505 -10.423 -9.268 1.00 0.00 C ATOM 125 C GLU A 24 3.960 -10.252 -10.719 1.00 0.00 C ATOM 126 O GLU A 24 3.346 -10.799 -11.634 1.00 0.00 O ATOM 127 CB GLU A 24 2.122 -9.805 -9.050 1.00 0.00 C ATOM 128 CG GLU A 24 1.093 -10.415 -10.003 1.00 0.00 C ATOM 129 CD GLU A 24 -0.304 -10.409 -9.378 1.00 0.00 C ATOM 130 OE1 GLU A 24 -0.514 -9.772 -8.335 1.00 0.00 O ATOM 131 OE2 GLU A 24 -1.189 -11.097 -10.015 1.00 0.00 O ATOM 0 H GLU A 24 4.391 -8.839 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 24 3.428 -11.489 -9.056 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.807 -9.964 -8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.173 -8.727 -9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.080 -9.854 -10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.381 -11.437 -10.249 1.00 0.00 H new ATOM 139 N ALA A 25 5.031 -9.490 -10.883 1.00 0.00 N ATOM 140 CA ALA A 25 5.575 -9.240 -12.207 1.00 0.00 C ATOM 141 C ALA A 25 6.103 -10.551 -12.793 1.00 0.00 C ATOM 142 O ALA A 25 6.142 -10.719 -14.011 1.00 0.00 O ATOM 143 CB ALA A 25 6.658 -8.163 -12.119 1.00 0.00 C ATOM 0 H ALA A 25 5.537 -9.038 -10.121 1.00 0.00 H new ATOM 0 HA ALA A 25 4.799 -8.869 -12.877 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.066 -7.975 -13.112 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.225 -7.243 -11.725 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.455 -8.502 -11.457 1.00 0.00 H new ATOM 149 N GLY A 26 6.496 -11.446 -11.898 1.00 0.00 N ATOM 150 CA GLY A 26 7.020 -12.736 -12.311 1.00 0.00 C ATOM 151 C GLY A 26 8.075 -13.241 -11.324 1.00 0.00 C ATOM 152 O GLY A 26 9.112 -13.763 -11.731 1.00 0.00 O ATOM 0 H GLY A 26 6.462 -11.303 -10.889 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.206 -13.458 -12.380 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.458 -12.653 -13.306 1.00 0.00 H new ATOM 156 N THR A 27 7.773 -13.069 -10.046 1.00 0.00 N ATOM 157 CA THR A 27 8.682 -13.500 -8.998 1.00 0.00 C ATOM 158 C THR A 27 8.291 -14.890 -8.491 1.00 0.00 C ATOM 159 O THR A 27 9.134 -15.780 -8.398 1.00 0.00 O ATOM 160 CB THR A 27 8.682 -12.432 -7.902 1.00 0.00 C ATOM 161 OG1 THR A 27 9.559 -11.425 -8.399 1.00 0.00 O ATOM 162 CG2 THR A 27 9.357 -12.912 -6.616 1.00 0.00 C ATOM 0 H THR A 27 6.911 -12.637 -9.712 1.00 0.00 H new ATOM 0 HA THR A 27 9.700 -13.600 -9.375 1.00 0.00 H new ATOM 0 HB THR A 27 7.656 -12.136 -7.684 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.425 -11.492 -7.945 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.330 -12.116 -5.872 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.830 -13.786 -6.233 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.393 -13.177 -6.826 1.00 0.00 H new ATOM 170 N LEU A 28 7.011 -15.032 -8.178 1.00 0.00 N ATOM 171 CA LEU A 28 6.498 -16.298 -7.684 1.00 0.00 C ATOM 172 C LEU A 28 5.300 -16.725 -8.534 1.00 0.00 C ATOM 173 O LEU A 28 4.870 -15.989 -9.422 1.00 0.00 O ATOM 174 CB LEU A 28 6.188 -16.203 -6.189 1.00 0.00 C ATOM 175 CG LEU A 28 5.602 -14.874 -5.708 1.00 0.00 C ATOM 176 CD1 LEU A 28 4.784 -15.066 -4.429 1.00 0.00 C ATOM 177 CD2 LEU A 28 6.699 -13.822 -5.534 1.00 0.00 C ATOM 0 H LEU A 28 6.314 -14.291 -8.257 1.00 0.00 H new ATOM 0 HA LEU A 28 7.253 -17.079 -7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.490 -16.999 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.107 -16.394 -5.635 1.00 0.00 H new ATOM 0 HG LEU A 28 4.920 -14.505 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.379 -14.106 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.965 -15.759 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.424 -15.469 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.255 -12.887 -5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.424 -14.171 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.200 -13.658 -6.488 1.00 0.00 H new ATOM 189 N ALA A 29 4.793 -17.911 -8.233 1.00 0.00 N ATOM 190 CA ALA A 29 3.653 -18.445 -8.959 1.00 0.00 C ATOM 191 C ALA A 29 2.579 -18.882 -7.962 1.00 0.00 C ATOM 192 O ALA A 29 2.875 -19.134 -6.795 1.00 0.00 O ATOM 193 CB ALA A 29 4.113 -19.592 -9.861 1.00 0.00 C ATOM 0 H ALA A 29 5.151 -18.518 -7.496 1.00 0.00 H new ATOM 0 HA ALA A 29 3.215 -17.681 -9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.258 -19.992 -10.405 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.854 -19.223 -10.570 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.556 -20.379 -9.251 1.00 0.00 H new ATOM 199 N GLU A 30 1.352 -18.959 -8.458 1.00 0.00 N ATOM 200 CA GLU A 30 0.232 -19.362 -7.625 1.00 0.00 C ATOM 201 C GLU A 30 -0.869 -19.988 -8.483 1.00 0.00 C ATOM 202 O GLU A 30 -1.112 -19.549 -9.606 1.00 0.00 O ATOM 203 CB GLU A 30 -0.307 -18.177 -6.821 1.00 0.00 C ATOM 204 CG GLU A 30 -0.556 -16.969 -7.725 1.00 0.00 C ATOM 205 CD GLU A 30 0.713 -16.128 -7.879 1.00 0.00 C ATOM 206 OE1 GLU A 30 1.725 -16.406 -7.219 1.00 0.00 O ATOM 207 OE2 GLU A 30 0.624 -15.155 -8.721 1.00 0.00 O ATOM 0 H GLU A 30 1.110 -18.749 -9.426 1.00 0.00 H new ATOM 0 HA GLU A 30 0.583 -20.111 -6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.235 -18.462 -6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.404 -17.910 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.894 -17.307 -8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.354 -16.356 -7.307 1.00 0.00 H new ATOM 215 N CYS A 31 -1.506 -21.005 -7.921 1.00 0.00 N ATOM 216 CA CYS A 31 -2.576 -21.697 -8.621 1.00 0.00 C ATOM 217 C CYS A 31 -3.644 -20.669 -9.001 1.00 0.00 C ATOM 218 O CYS A 31 -4.209 -20.006 -8.132 1.00 0.00 O ATOM 219 CB CYS A 31 -3.155 -22.838 -7.783 1.00 0.00 C ATOM 220 SG CYS A 31 -3.283 -24.356 -8.797 1.00 0.00 S ATOM 0 H CYS A 31 -1.302 -21.367 -6.989 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.182 -22.162 -9.525 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.520 -23.022 -6.916 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.138 -22.560 -7.404 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.118 -25.399 -8.039 1.00 0.00 H new ATOM 225 N GLU A 32 -3.889 -20.570 -10.299 1.00 0.00 N ATOM 226 CA GLU A 32 -4.879 -19.634 -10.804 1.00 0.00 C ATOM 227 C GLU A 32 -6.286 -20.217 -10.653 1.00 0.00 C ATOM 228 O GLU A 32 -7.271 -19.573 -11.010 1.00 0.00 O ATOM 229 CB GLU A 32 -4.593 -19.266 -12.261 1.00 0.00 C ATOM 230 CG GLU A 32 -4.767 -20.479 -13.178 1.00 0.00 C ATOM 231 CD GLU A 32 -4.370 -20.140 -14.616 1.00 0.00 C ATOM 232 OE1 GLU A 32 -3.198 -20.294 -14.989 1.00 0.00 O ATOM 233 OE2 GLU A 32 -5.331 -19.703 -15.358 1.00 0.00 O ATOM 0 H GLU A 32 -3.419 -21.122 -11.016 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.820 -18.719 -10.214 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.265 -18.468 -12.577 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.577 -18.881 -12.350 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.157 -21.305 -12.814 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.804 -20.813 -13.152 1.00 0.00 H new ATOM 241 N VAL A 33 -6.335 -21.431 -10.123 1.00 0.00 N ATOM 242 CA VAL A 33 -7.605 -22.108 -9.920 1.00 0.00 C ATOM 243 C VAL A 33 -7.930 -22.135 -8.425 1.00 0.00 C ATOM 244 O VAL A 33 -9.036 -22.504 -8.034 1.00 0.00 O ATOM 245 CB VAL A 33 -7.560 -23.503 -10.548 1.00 0.00 C ATOM 246 CG1 VAL A 33 -6.122 -23.913 -10.870 1.00 0.00 C ATOM 247 CG2 VAL A 33 -8.234 -24.534 -9.640 1.00 0.00 C ATOM 0 H VAL A 33 -5.516 -21.963 -9.828 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.410 -21.568 -10.418 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.116 -23.467 -11.485 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.118 -24.908 -11.315 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.689 -23.200 -11.571 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.533 -23.924 -9.953 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.189 -25.517 -10.109 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.718 -24.566 -8.680 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.276 -24.255 -9.483 1.00 0.00 H new ATOM 257 N HIS A 34 -6.946 -21.739 -7.631 1.00 0.00 N ATOM 258 CA HIS A 34 -7.114 -21.714 -6.188 1.00 0.00 C ATOM 259 C HIS A 34 -6.667 -20.356 -5.643 1.00 0.00 C ATOM 260 O HIS A 34 -5.471 -20.099 -5.511 1.00 0.00 O ATOM 261 CB HIS A 34 -6.379 -22.885 -5.534 1.00 0.00 C ATOM 262 CG HIS A 34 -6.291 -24.117 -6.404 1.00 0.00 C ATOM 263 ND1 HIS A 34 -5.886 -24.074 -7.727 1.00 0.00 N ATOM 264 CD2 HIS A 34 -6.559 -25.425 -6.126 1.00 0.00 C ATOM 265 CE1 HIS A 34 -5.914 -25.306 -8.213 1.00 0.00 C ATOM 266 NE2 HIS A 34 -6.332 -26.142 -7.220 1.00 0.00 N ATOM 0 H HIS A 34 -6.030 -21.433 -7.959 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.168 -21.838 -5.940 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.371 -22.566 -5.270 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.885 -23.145 -4.604 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.898 -25.812 -5.177 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.652 -25.597 -9.219 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.451 -27.152 -7.304 1.00 0.00 H new ATOM 274 N GLU A 35 -7.651 -19.521 -5.343 1.00 0.00 N ATOM 275 CA GLU A 35 -7.374 -18.196 -4.816 1.00 0.00 C ATOM 276 C GLU A 35 -6.913 -18.289 -3.360 1.00 0.00 C ATOM 277 O GLU A 35 -7.545 -18.963 -2.547 1.00 0.00 O ATOM 278 CB GLU A 35 -8.598 -17.287 -4.946 1.00 0.00 C ATOM 279 CG GLU A 35 -8.182 -15.819 -5.061 1.00 0.00 C ATOM 280 CD GLU A 35 -7.500 -15.546 -6.403 1.00 0.00 C ATOM 281 OE1 GLU A 35 -8.066 -15.858 -7.461 1.00 0.00 O ATOM 282 OE2 GLU A 35 -6.340 -14.988 -6.321 1.00 0.00 O ATOM 0 H GLU A 35 -8.642 -19.737 -5.455 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.570 -17.754 -5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.177 -17.574 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.246 -17.418 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.059 -15.180 -4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.504 -15.564 -4.246 1.00 0.00 H new ATOM 290 N GLY A 36 -5.816 -17.603 -3.075 1.00 0.00 N ATOM 291 CA GLY A 36 -5.264 -17.601 -1.731 1.00 0.00 C ATOM 292 C GLY A 36 -3.995 -18.452 -1.658 1.00 0.00 C ATOM 293 O GLY A 36 -3.083 -18.151 -0.889 1.00 0.00 O ATOM 0 H GLY A 36 -5.295 -17.045 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.038 -16.578 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.004 -17.985 -1.029 1.00 0.00 H new ATOM 297 N THR A 37 -3.976 -19.500 -2.469 1.00 0.00 N ATOM 298 CA THR A 37 -2.834 -20.398 -2.506 1.00 0.00 C ATOM 299 C THR A 37 -1.733 -19.822 -3.399 1.00 0.00 C ATOM 300 O THR A 37 -2.004 -19.361 -4.506 1.00 0.00 O ATOM 301 CB THR A 37 -3.328 -21.772 -2.961 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.596 -21.507 -3.555 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.653 -22.696 -1.785 1.00 0.00 C ATOM 0 H THR A 37 -4.734 -19.747 -3.106 1.00 0.00 H new ATOM 0 HA THR A 37 -2.385 -20.509 -1.519 1.00 0.00 H new ATOM 0 HB THR A 37 -2.571 -22.239 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.466 -21.065 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.999 -23.658 -2.163 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.758 -22.844 -1.181 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.434 -22.245 -1.173 1.00 0.00 H new ATOM 311 N TYR A 38 -0.513 -19.868 -2.883 1.00 0.00 N ATOM 312 CA TYR A 38 0.631 -19.358 -3.619 1.00 0.00 C ATOM 313 C TYR A 38 1.859 -20.244 -3.408 1.00 0.00 C ATOM 314 O TYR A 38 1.824 -21.181 -2.612 1.00 0.00 O ATOM 315 CB TYR A 38 0.915 -17.968 -3.046 1.00 0.00 C ATOM 316 CG TYR A 38 0.080 -16.852 -3.677 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.216 -16.636 -3.255 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.624 -16.060 -4.669 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.001 -15.585 -3.850 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.161 -15.010 -5.263 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.435 -14.824 -4.824 1.00 0.00 C ATOM 322 OH TYR A 38 -2.177 -13.832 -5.385 1.00 0.00 O ATOM 0 H TYR A 38 -0.292 -20.251 -1.964 1.00 0.00 H new ATOM 0 HA TYR A 38 0.420 -19.335 -4.688 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.729 -17.984 -1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.972 -17.739 -3.183 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.642 -17.255 -2.479 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.638 -16.229 -4.999 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.017 -15.406 -3.529 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.252 -14.384 -6.040 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.644 -13.370 -6.065 1.00 0.00 H new ATOM 332 N PHE A 39 2.918 -19.917 -4.135 1.00 0.00 N ATOM 333 CA PHE A 39 4.155 -20.673 -4.037 1.00 0.00 C ATOM 334 C PHE A 39 5.269 -20.008 -4.849 1.00 0.00 C ATOM 335 O PHE A 39 5.195 -19.947 -6.076 1.00 0.00 O ATOM 336 CB PHE A 39 3.878 -22.062 -4.615 1.00 0.00 C ATOM 337 CG PHE A 39 3.741 -22.086 -6.139 1.00 0.00 C ATOM 338 CD1 PHE A 39 2.529 -21.869 -6.716 1.00 0.00 C ATOM 339 CD2 PHE A 39 4.832 -22.325 -6.916 1.00 0.00 C ATOM 340 CE1 PHE A 39 2.402 -21.892 -8.130 1.00 0.00 C ATOM 341 CE2 PHE A 39 4.704 -22.347 -8.330 1.00 0.00 C ATOM 342 CZ PHE A 39 3.492 -22.130 -8.907 1.00 0.00 C ATOM 0 H PHE A 39 2.945 -19.139 -4.794 1.00 0.00 H new ATOM 0 HA PHE A 39 4.479 -20.723 -2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.685 -22.734 -4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.962 -22.453 -4.172 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.663 -21.679 -6.099 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.795 -22.498 -6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.439 -21.720 -8.588 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.570 -22.536 -8.947 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.395 -22.147 -9.983 1.00 0.00 H new ATOM 352 N SER A 40 6.274 -19.527 -4.133 1.00 0.00 N ATOM 353 CA SER A 40 7.401 -18.870 -4.771 1.00 0.00 C ATOM 354 C SER A 40 8.484 -19.897 -5.107 1.00 0.00 C ATOM 355 O SER A 40 8.632 -20.899 -4.410 1.00 0.00 O ATOM 356 CB SER A 40 7.974 -17.767 -3.878 1.00 0.00 C ATOM 357 OG SER A 40 8.416 -18.273 -2.622 1.00 0.00 O ATOM 0 H SER A 40 6.331 -19.579 -3.116 1.00 0.00 H new ATOM 0 HA SER A 40 7.049 -18.407 -5.693 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.808 -17.284 -4.388 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.215 -17.002 -3.714 1.00 0.00 H new ATOM 0 HG SER A 40 8.776 -17.539 -2.082 1.00 0.00 H new ATOM 363 N ASP A 41 9.214 -19.612 -6.176 1.00 0.00 N ATOM 364 CA ASP A 41 10.279 -20.498 -6.613 1.00 0.00 C ATOM 365 C ASP A 41 11.034 -21.022 -5.390 1.00 0.00 C ATOM 366 O ASP A 41 11.917 -20.346 -4.864 1.00 0.00 O ATOM 367 CB ASP A 41 11.279 -19.760 -7.506 1.00 0.00 C ATOM 368 CG ASP A 41 11.592 -20.450 -8.834 1.00 0.00 C ATOM 369 OD1 ASP A 41 11.941 -19.795 -9.828 1.00 0.00 O ATOM 370 OD2 ASP A 41 11.464 -21.734 -8.826 1.00 0.00 O ATOM 0 H ASP A 41 9.088 -18.780 -6.752 1.00 0.00 H new ATOM 0 HA ASP A 41 9.828 -21.315 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.890 -18.763 -7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.209 -19.630 -6.953 1.00 0.00 H new ATOM 376 N SER A 42 10.660 -22.223 -4.973 1.00 0.00 N ATOM 377 CA SER A 42 11.291 -22.846 -3.822 1.00 0.00 C ATOM 378 C SER A 42 12.712 -23.287 -4.179 1.00 0.00 C ATOM 379 O SER A 42 12.947 -23.816 -5.265 1.00 0.00 O ATOM 380 CB SER A 42 10.474 -24.039 -3.324 1.00 0.00 C ATOM 381 OG SER A 42 9.867 -24.755 -4.397 1.00 0.00 O ATOM 0 H SER A 42 9.928 -22.781 -5.412 1.00 0.00 H new ATOM 0 HA SER A 42 11.337 -22.111 -3.018 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.120 -24.711 -2.759 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.702 -23.689 -2.639 1.00 0.00 H new ATOM 0 HG SER A 42 9.356 -25.510 -4.038 1.00 0.00 H new ATOM 387 N GLY A 43 13.622 -23.054 -3.245 1.00 0.00 N ATOM 388 CA GLY A 43 15.013 -23.421 -3.448 1.00 0.00 C ATOM 389 C GLY A 43 15.882 -22.180 -3.661 1.00 0.00 C ATOM 390 O GLY A 43 17.079 -22.199 -3.377 1.00 0.00 O ATOM 0 H GLY A 43 13.423 -22.616 -2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.375 -23.979 -2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.096 -24.080 -4.312 1.00 0.00 H new ATOM 394 N ASP A 44 15.246 -21.130 -4.160 1.00 0.00 N ATOM 395 CA ASP A 44 15.946 -19.882 -4.415 1.00 0.00 C ATOM 396 C ASP A 44 15.023 -18.708 -4.086 1.00 0.00 C ATOM 397 O ASP A 44 14.354 -18.173 -4.969 1.00 0.00 O ATOM 398 CB ASP A 44 16.351 -19.768 -5.886 1.00 0.00 C ATOM 399 CG ASP A 44 17.102 -20.978 -6.446 1.00 0.00 C ATOM 400 OD1 ASP A 44 16.762 -21.500 -7.518 1.00 0.00 O ATOM 401 OD2 ASP A 44 18.088 -21.390 -5.723 1.00 0.00 O ATOM 0 H ASP A 44 14.253 -21.118 -4.395 1.00 0.00 H new ATOM 0 HA ASP A 44 16.841 -19.864 -3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.453 -19.608 -6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.976 -18.883 -6.008 1.00 0.00 H new ATOM 407 N ILE A 45 15.015 -18.341 -2.813 1.00 0.00 N ATOM 408 CA ILE A 45 14.184 -17.240 -2.356 1.00 0.00 C ATOM 409 C ILE A 45 14.748 -15.924 -2.896 1.00 0.00 C ATOM 410 O ILE A 45 14.013 -14.952 -3.063 1.00 0.00 O ATOM 411 CB ILE A 45 14.044 -17.270 -0.833 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.949 -18.249 -0.403 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.807 -15.865 -0.276 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.586 -17.557 -0.346 1.00 0.00 C ATOM 0 H ILE A 45 15.571 -18.787 -2.083 1.00 0.00 H new ATOM 0 HA ILE A 45 13.172 -17.339 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 45 14.982 -17.629 -0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.908 -19.084 -1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.191 -18.664 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.711 -15.915 0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.649 -15.224 -0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.892 -15.454 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.826 -18.275 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.624 -16.738 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.336 -17.164 -1.332 1.00 0.00 H new ATOM 426 N SER A 46 16.048 -15.935 -3.153 1.00 0.00 N ATOM 427 CA SER A 46 16.719 -14.755 -3.670 1.00 0.00 C ATOM 428 C SER A 46 16.305 -14.512 -5.123 1.00 0.00 C ATOM 429 O SER A 46 16.298 -13.373 -5.588 1.00 0.00 O ATOM 430 CB SER A 46 18.239 -14.895 -3.567 1.00 0.00 C ATOM 431 OG SER A 46 18.742 -14.371 -2.341 1.00 0.00 O ATOM 0 H SER A 46 16.654 -16.743 -3.013 1.00 0.00 H new ATOM 0 HA SER A 46 16.419 -13.899 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.513 -15.947 -3.651 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.708 -14.376 -4.403 1.00 0.00 H new ATOM 0 HG SER A 46 19.715 -14.481 -2.313 1.00 0.00 H new ATOM 437 N GLU A 47 15.970 -15.601 -5.799 1.00 0.00 N ATOM 438 CA GLU A 47 15.557 -15.520 -7.189 1.00 0.00 C ATOM 439 C GLU A 47 14.329 -14.618 -7.327 1.00 0.00 C ATOM 440 O GLU A 47 14.114 -14.011 -8.375 1.00 0.00 O ATOM 441 CB GLU A 47 15.280 -16.913 -7.761 1.00 0.00 C ATOM 442 CG GLU A 47 16.476 -17.421 -8.568 1.00 0.00 C ATOM 443 CD GLU A 47 16.045 -18.497 -9.568 1.00 0.00 C ATOM 444 OE1 GLU A 47 16.005 -19.686 -9.219 1.00 0.00 O ATOM 445 OE2 GLU A 47 15.743 -18.060 -10.743 1.00 0.00 O ATOM 0 H GLU A 47 15.976 -16.544 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 47 16.372 -15.082 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.063 -17.607 -6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.395 -16.880 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.940 -16.590 -9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.229 -17.828 -7.893 1.00 0.00 H new ATOM 453 N ALA A 48 13.555 -14.558 -6.253 1.00 0.00 N ATOM 454 CA ALA A 48 12.354 -13.740 -6.240 1.00 0.00 C ATOM 455 C ALA A 48 12.748 -12.263 -6.305 1.00 0.00 C ATOM 456 O ALA A 48 12.218 -11.510 -7.121 1.00 0.00 O ATOM 457 CB ALA A 48 11.526 -14.068 -4.997 1.00 0.00 C ATOM 0 H ALA A 48 13.736 -15.063 -5.385 1.00 0.00 H new ATOM 0 HA ALA A 48 11.734 -13.955 -7.110 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.625 -13.454 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.247 -15.122 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.115 -13.862 -4.103 1.00 0.00 H new ATOM 463 N GLU A 49 13.676 -11.892 -5.434 1.00 0.00 N ATOM 464 CA GLU A 49 14.147 -10.518 -5.382 1.00 0.00 C ATOM 465 C GLU A 49 14.739 -10.109 -6.732 1.00 0.00 C ATOM 466 O GLU A 49 14.507 -8.997 -7.204 1.00 0.00 O ATOM 467 CB GLU A 49 15.166 -10.330 -4.257 1.00 0.00 C ATOM 468 CG GLU A 49 16.592 -10.282 -4.811 1.00 0.00 C ATOM 469 CD GLU A 49 17.618 -10.216 -3.678 1.00 0.00 C ATOM 470 OE1 GLU A 49 17.309 -10.595 -2.539 1.00 0.00 O ATOM 471 OE2 GLU A 49 18.773 -9.752 -4.016 1.00 0.00 O ATOM 0 H GLU A 49 14.114 -12.519 -4.759 1.00 0.00 H new ATOM 0 HA GLU A 49 13.296 -9.871 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.951 -9.408 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.077 -11.147 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 49 16.778 -11.164 -5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.705 -9.413 -5.460 1.00 0.00 H new ATOM 479 N GLU A 50 15.492 -11.029 -7.316 1.00 0.00 N ATOM 480 CA GLU A 50 16.119 -10.778 -8.603 1.00 0.00 C ATOM 481 C GLU A 50 15.062 -10.729 -9.708 1.00 0.00 C ATOM 482 O GLU A 50 15.171 -9.936 -10.642 1.00 0.00 O ATOM 483 CB GLU A 50 17.184 -11.833 -8.909 1.00 0.00 C ATOM 484 CG GLU A 50 16.722 -12.770 -10.027 1.00 0.00 C ATOM 485 CD GLU A 50 17.736 -13.892 -10.255 1.00 0.00 C ATOM 486 OE1 GLU A 50 17.580 -14.688 -11.194 1.00 0.00 O ATOM 487 OE2 GLU A 50 18.716 -13.921 -9.417 1.00 0.00 O ATOM 0 H GLU A 50 15.682 -11.950 -6.922 1.00 0.00 H new ATOM 0 HA GLU A 50 16.616 -9.809 -8.560 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.113 -11.343 -9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 50 17.397 -12.411 -8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 50 15.753 -13.197 -9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 50 16.587 -12.204 -10.949 1.00 0.00 H new ATOM 495 N LEU A 51 14.062 -11.587 -9.565 1.00 0.00 N ATOM 496 CA LEU A 51 12.986 -11.652 -10.539 1.00 0.00 C ATOM 497 C LEU A 51 12.318 -10.279 -10.647 1.00 0.00 C ATOM 498 O LEU A 51 12.178 -9.738 -11.742 1.00 0.00 O ATOM 499 CB LEU A 51 12.016 -12.782 -10.192 1.00 0.00 C ATOM 500 CG LEU A 51 12.343 -14.154 -10.786 1.00 0.00 C ATOM 501 CD1 LEU A 51 11.376 -15.220 -10.269 1.00 0.00 C ATOM 502 CD2 LEU A 51 12.370 -14.097 -12.315 1.00 0.00 C ATOM 0 H LEU A 51 13.975 -12.243 -8.789 1.00 0.00 H new ATOM 0 HA LEU A 51 13.380 -11.894 -11.526 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.975 -12.878 -9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.019 -12.493 -10.524 1.00 0.00 H new ATOM 0 HG LEU A 51 13.342 -14.439 -10.457 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.631 -16.185 -10.707 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.450 -15.283 -9.183 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.357 -14.953 -10.548 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.605 -15.085 -12.712 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.395 -13.780 -12.685 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.130 -13.386 -12.639 1.00 0.00 H new ATOM 514 N ALA A 52 11.924 -9.757 -9.495 1.00 0.00 N ATOM 515 CA ALA A 52 11.274 -8.458 -9.446 1.00 0.00 C ATOM 516 C ALA A 52 12.265 -7.380 -9.890 1.00 0.00 C ATOM 517 O ALA A 52 11.882 -6.410 -10.542 1.00 0.00 O ATOM 518 CB ALA A 52 10.735 -8.209 -8.036 1.00 0.00 C ATOM 0 H ALA A 52 12.042 -10.210 -8.589 1.00 0.00 H new ATOM 0 HA ALA A 52 10.425 -8.428 -10.129 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.248 -7.235 -8.000 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.014 -8.985 -7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.559 -8.229 -7.323 1.00 0.00 H new ATOM 524 N ARG A 53 13.520 -7.586 -9.519 1.00 0.00 N ATOM 525 CA ARG A 53 14.569 -6.643 -9.871 1.00 0.00 C ATOM 526 C ARG A 53 14.579 -6.400 -11.381 1.00 0.00 C ATOM 527 O ARG A 53 14.649 -5.256 -11.829 1.00 0.00 O ATOM 528 CB ARG A 53 15.942 -7.159 -9.435 1.00 0.00 C ATOM 529 CG ARG A 53 16.989 -6.045 -9.490 1.00 0.00 C ATOM 530 CD ARG A 53 18.394 -6.601 -9.249 1.00 0.00 C ATOM 531 NE ARG A 53 18.759 -6.452 -7.822 1.00 0.00 N ATOM 532 CZ ARG A 53 19.739 -7.141 -7.222 1.00 0.00 C ATOM 533 NH1 ARG A 53 20.457 -8.031 -7.920 1.00 0.00 N ATOM 534 NH2 ARG A 53 20.000 -6.941 -5.923 1.00 0.00 N ATOM 0 H ARG A 53 13.834 -8.392 -8.978 1.00 0.00 H new ATOM 0 HA ARG A 53 14.363 -5.708 -9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.880 -7.555 -8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.247 -7.982 -10.081 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.951 -5.553 -10.462 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.760 -5.288 -8.740 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.432 -7.652 -9.535 1.00 0.00 H new ATOM 0 HD3 ARG A 53 19.115 -6.074 -9.874 1.00 0.00 H new ATOM 0 HE ARG A 53 18.232 -5.783 -7.261 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.258 -8.184 -8.909 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.203 -8.555 -7.463 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.453 -6.264 -5.391 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.746 -7.465 -5.466 1.00 0.00 H new ATOM 548 N GLU A 54 14.508 -7.494 -12.125 1.00 0.00 N ATOM 549 CA GLU A 54 14.508 -7.413 -13.576 1.00 0.00 C ATOM 550 C GLU A 54 13.126 -6.996 -14.084 1.00 0.00 C ATOM 551 O GLU A 54 13.015 -6.134 -14.954 1.00 0.00 O ATOM 552 CB GLU A 54 14.944 -8.741 -14.199 1.00 0.00 C ATOM 553 CG GLU A 54 15.325 -8.558 -15.669 1.00 0.00 C ATOM 554 CD GLU A 54 16.781 -8.111 -15.806 1.00 0.00 C ATOM 555 OE1 GLU A 54 17.512 -8.633 -16.662 1.00 0.00 O ATOM 556 OE2 GLU A 54 17.147 -7.186 -14.985 1.00 0.00 O ATOM 0 H GLU A 54 14.450 -8.441 -11.750 1.00 0.00 H new ATOM 0 HA GLU A 54 15.229 -6.654 -13.879 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.793 -9.144 -13.647 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.136 -9.468 -14.117 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.176 -9.495 -16.206 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.669 -7.819 -16.129 1.00 0.00 H new ATOM 564 N LYS A 55 12.108 -7.629 -13.520 1.00 0.00 N ATOM 565 CA LYS A 55 10.738 -7.334 -13.906 1.00 0.00 C ATOM 566 C LYS A 55 10.523 -5.819 -13.891 1.00 0.00 C ATOM 567 O LYS A 55 10.079 -5.242 -14.882 1.00 0.00 O ATOM 568 CB LYS A 55 9.755 -8.103 -13.021 1.00 0.00 C ATOM 569 CG LYS A 55 9.180 -9.312 -13.762 1.00 0.00 C ATOM 570 CD LYS A 55 10.013 -10.567 -13.494 1.00 0.00 C ATOM 571 CE LYS A 55 11.273 -10.583 -14.362 1.00 0.00 C ATOM 572 NZ LYS A 55 11.827 -11.953 -14.446 1.00 0.00 N ATOM 0 H LYS A 55 12.204 -8.344 -12.799 1.00 0.00 H new ATOM 0 HA LYS A 55 10.548 -7.673 -14.924 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.260 -8.435 -12.114 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.945 -7.442 -12.712 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.150 -9.480 -13.446 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.156 -9.109 -14.833 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.292 -10.605 -12.441 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.415 -11.455 -13.698 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.038 -10.218 -15.362 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.019 -9.908 -13.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.128 -12.146 -15.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.644 -12.037 -13.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.098 -12.640 -14.166 1.00 0.00 H new ATOM 586 N PHE A 56 10.848 -5.219 -12.756 1.00 0.00 N ATOM 587 CA PHE A 56 10.697 -3.782 -12.599 1.00 0.00 C ATOM 588 C PHE A 56 11.761 -3.028 -13.398 1.00 0.00 C ATOM 589 O PHE A 56 11.466 -2.015 -14.031 1.00 0.00 O ATOM 590 CB PHE A 56 10.878 -3.473 -11.112 1.00 0.00 C ATOM 591 CG PHE A 56 12.283 -2.993 -10.743 1.00 0.00 C ATOM 592 CD1 PHE A 56 12.755 -1.820 -11.244 1.00 0.00 C ATOM 593 CD2 PHE A 56 13.061 -3.740 -9.914 1.00 0.00 C ATOM 594 CE1 PHE A 56 14.059 -1.375 -10.901 1.00 0.00 C ATOM 595 CE2 PHE A 56 14.365 -3.295 -9.572 1.00 0.00 C ATOM 596 CZ PHE A 56 14.837 -2.122 -10.072 1.00 0.00 C ATOM 0 H PHE A 56 11.215 -5.701 -11.936 1.00 0.00 H new ATOM 0 HA PHE A 56 9.719 -3.469 -12.963 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.156 -2.711 -10.819 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.648 -4.368 -10.535 1.00 0.00 H new ATOM 0 HD1 PHE A 56 12.138 -1.227 -11.903 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.687 -4.672 -9.516 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.433 -0.443 -11.298 1.00 0.00 H new ATOM 0 HE2 PHE A 56 14.983 -3.889 -8.914 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.829 -1.784 -9.811 1.00 0.00 H new ATOM 606 N GLU A 57 12.977 -3.551 -13.344 1.00 0.00 N ATOM 607 CA GLU A 57 14.087 -2.940 -14.055 1.00 0.00 C ATOM 608 C GLU A 57 13.836 -2.977 -15.564 1.00 0.00 C ATOM 609 O GLU A 57 14.540 -2.321 -16.330 1.00 0.00 O ATOM 610 CB GLU A 57 15.409 -3.625 -13.703 1.00 0.00 C ATOM 611 CG GLU A 57 16.553 -3.085 -14.562 1.00 0.00 C ATOM 612 CD GLU A 57 17.909 -3.534 -14.014 1.00 0.00 C ATOM 613 OE1 GLU A 57 18.401 -2.960 -13.030 1.00 0.00 O ATOM 614 OE2 GLU A 57 18.455 -4.517 -14.646 1.00 0.00 O ATOM 0 H GLU A 57 13.218 -4.391 -12.819 1.00 0.00 H new ATOM 0 HA GLU A 57 14.162 -1.898 -13.744 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.635 -3.466 -12.649 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.316 -4.701 -13.850 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.438 -3.434 -15.588 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.510 -1.996 -14.589 1.00 0.00 H new ATOM 622 N LYS A 58 12.830 -3.750 -15.945 1.00 0.00 N ATOM 623 CA LYS A 58 12.477 -3.881 -17.349 1.00 0.00 C ATOM 624 C LYS A 58 11.650 -2.668 -17.777 1.00 0.00 C ATOM 625 O LYS A 58 11.489 -2.412 -18.970 1.00 0.00 O ATOM 626 CB LYS A 58 11.783 -5.220 -17.604 1.00 0.00 C ATOM 627 CG LYS A 58 11.952 -5.657 -19.060 1.00 0.00 C ATOM 628 CD LYS A 58 11.999 -7.182 -19.174 1.00 0.00 C ATOM 629 CE LYS A 58 12.568 -7.614 -20.527 1.00 0.00 C ATOM 630 NZ LYS A 58 14.047 -7.597 -20.497 1.00 0.00 N ATOM 0 H LYS A 58 12.248 -4.292 -15.306 1.00 0.00 H new ATOM 0 HA LYS A 58 13.374 -3.890 -17.969 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.198 -5.980 -16.942 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.722 -5.135 -17.367 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.127 -5.270 -19.658 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.868 -5.230 -19.467 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.611 -7.591 -18.371 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.996 -7.590 -19.050 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.215 -8.615 -20.773 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.207 -6.947 -21.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.416 -7.893 -21.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.379 -6.635 -20.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.387 -8.251 -19.764 1.00 0.00 H new ATOM 754 N VAL A 67 16.858 0.012 -6.083 1.00 0.00 N ATOM 755 CA VAL A 67 16.608 -1.305 -6.645 1.00 0.00 C ATOM 756 C VAL A 67 16.718 -2.356 -5.539 1.00 0.00 C ATOM 757 O VAL A 67 15.960 -3.325 -5.520 1.00 0.00 O ATOM 758 CB VAL A 67 17.561 -1.564 -7.813 1.00 0.00 C ATOM 759 CG1 VAL A 67 18.992 -1.157 -7.454 1.00 0.00 C ATOM 760 CG2 VAL A 67 17.502 -3.028 -8.254 1.00 0.00 C ATOM 0 HA VAL A 67 15.597 -1.363 -7.048 1.00 0.00 H new ATOM 0 HB VAL A 67 17.238 -0.948 -8.652 1.00 0.00 H new ATOM 0 HG11 VAL A 67 19.649 -1.352 -8.302 1.00 0.00 H new ATOM 0 HG12 VAL A 67 19.018 -0.095 -7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 67 19.329 -1.734 -6.593 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.189 -3.185 -9.086 1.00 0.00 H new ATOM 0 HG22 VAL A 67 17.787 -3.671 -7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 67 16.488 -3.272 -8.570 1.00 0.00 H new ATOM 770 N GLU A 68 17.668 -2.129 -4.643 1.00 0.00 N ATOM 771 CA GLU A 68 17.887 -3.045 -3.536 1.00 0.00 C ATOM 772 C GLU A 68 16.695 -3.012 -2.577 1.00 0.00 C ATOM 773 O GLU A 68 16.401 -4.005 -1.913 1.00 0.00 O ATOM 774 CB GLU A 68 19.189 -2.718 -2.804 1.00 0.00 C ATOM 775 CG GLU A 68 20.391 -2.840 -3.743 1.00 0.00 C ATOM 776 CD GLU A 68 20.291 -4.103 -4.601 1.00 0.00 C ATOM 777 OE1 GLU A 68 19.951 -4.019 -5.790 1.00 0.00 O ATOM 778 OE2 GLU A 68 20.583 -5.201 -3.991 1.00 0.00 O ATOM 0 H GLU A 68 18.295 -1.324 -4.661 1.00 0.00 H new ATOM 0 HA GLU A 68 17.978 -4.054 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.139 -1.707 -2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.314 -3.393 -1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.445 -1.962 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 68 21.312 -2.864 -3.160 1.00 0.00 H new ATOM 786 N GLU A 69 16.042 -1.860 -2.534 1.00 0.00 N ATOM 787 CA GLU A 69 14.889 -1.685 -1.667 1.00 0.00 C ATOM 788 C GLU A 69 13.687 -2.452 -2.221 1.00 0.00 C ATOM 789 O GLU A 69 12.977 -3.124 -1.475 1.00 0.00 O ATOM 790 CB GLU A 69 14.559 -0.202 -1.487 1.00 0.00 C ATOM 791 CG GLU A 69 13.307 -0.020 -0.627 1.00 0.00 C ATOM 792 CD GLU A 69 13.657 -0.036 0.863 1.00 0.00 C ATOM 793 OE1 GLU A 69 13.171 0.815 1.622 1.00 0.00 O ATOM 794 OE2 GLU A 69 14.463 -0.975 1.223 1.00 0.00 O ATOM 0 H GLU A 69 16.289 -1.038 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 69 15.132 -2.091 -0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.402 0.308 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.406 0.261 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.822 0.923 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.593 -0.814 -0.845 1.00 0.00 H new ATOM 802 N LEU A 70 13.495 -2.324 -3.526 1.00 0.00 N ATOM 803 CA LEU A 70 12.390 -2.996 -4.189 1.00 0.00 C ATOM 804 C LEU A 70 12.561 -4.510 -4.047 1.00 0.00 C ATOM 805 O LEU A 70 11.659 -5.199 -3.573 1.00 0.00 O ATOM 806 CB LEU A 70 12.268 -2.524 -5.639 1.00 0.00 C ATOM 807 CG LEU A 70 11.262 -3.280 -6.508 1.00 0.00 C ATOM 808 CD1 LEU A 70 10.557 -2.333 -7.481 1.00 0.00 C ATOM 809 CD2 LEU A 70 11.932 -4.450 -7.232 1.00 0.00 C ATOM 0 H LEU A 70 14.086 -1.765 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 70 11.445 -2.735 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.994 -1.469 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.249 -2.596 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 70 10.497 -3.701 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.847 -2.896 -8.087 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.026 -1.564 -6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.295 -1.863 -8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.194 -4.970 -7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.731 -4.073 -7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.349 -5.141 -6.499 1.00 0.00 H new ATOM 821 N VAL A 71 13.725 -4.984 -4.468 1.00 0.00 N ATOM 822 CA VAL A 71 14.026 -6.403 -4.394 1.00 0.00 C ATOM 823 C VAL A 71 13.801 -6.894 -2.963 1.00 0.00 C ATOM 824 O VAL A 71 13.188 -7.939 -2.750 1.00 0.00 O ATOM 825 CB VAL A 71 15.446 -6.664 -4.900 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.572 -6.316 -6.384 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.474 -5.897 -4.067 1.00 0.00 C ATOM 0 H VAL A 71 14.471 -4.410 -4.861 1.00 0.00 H new ATOM 0 HA VAL A 71 13.356 -6.970 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 71 15.651 -7.729 -4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.591 -6.511 -6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.878 -6.927 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.337 -5.262 -6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.475 -6.100 -4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.271 -4.828 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.410 -6.216 -3.027 1.00 0.00 H new ATOM 837 N LYS A 72 14.310 -6.117 -2.018 1.00 0.00 N ATOM 838 CA LYS A 72 14.172 -6.460 -0.613 1.00 0.00 C ATOM 839 C LYS A 72 12.687 -6.578 -0.264 1.00 0.00 C ATOM 840 O LYS A 72 12.295 -7.452 0.507 1.00 0.00 O ATOM 841 CB LYS A 72 14.931 -5.457 0.260 1.00 0.00 C ATOM 842 CG LYS A 72 14.604 -5.662 1.740 1.00 0.00 C ATOM 843 CD LYS A 72 15.168 -4.521 2.589 1.00 0.00 C ATOM 844 CE LYS A 72 14.784 -4.690 4.060 1.00 0.00 C ATOM 845 NZ LYS A 72 15.374 -3.607 4.878 1.00 0.00 N ATOM 0 H LYS A 72 14.818 -5.251 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 72 14.625 -7.431 -0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 72 16.003 -5.570 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.670 -4.441 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.524 -5.719 1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.018 -6.612 2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.253 -4.494 2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.792 -3.567 2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.699 -4.681 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.130 -5.658 4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.103 -3.737 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.410 -3.634 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.024 -2.687 4.541 1.00 0.00 H new ATOM 859 N LYS A 73 11.902 -5.686 -0.849 1.00 0.00 N ATOM 860 CA LYS A 73 10.469 -5.679 -0.610 1.00 0.00 C ATOM 861 C LYS A 73 9.836 -6.893 -1.293 1.00 0.00 C ATOM 862 O LYS A 73 8.811 -7.400 -0.841 1.00 0.00 O ATOM 863 CB LYS A 73 9.859 -4.344 -1.042 1.00 0.00 C ATOM 864 CG LYS A 73 9.731 -3.390 0.147 1.00 0.00 C ATOM 865 CD LYS A 73 11.071 -3.224 0.865 1.00 0.00 C ATOM 866 CE LYS A 73 10.879 -2.597 2.247 1.00 0.00 C ATOM 867 NZ LYS A 73 10.541 -3.635 3.246 1.00 0.00 N ATOM 0 H LYS A 73 12.231 -4.963 -1.488 1.00 0.00 H new ATOM 0 HA LYS A 73 10.261 -5.768 0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.480 -3.889 -1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.877 -4.515 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.377 -2.419 -0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.986 -3.771 0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.556 -4.195 0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.733 -2.598 0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.790 -2.078 2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.086 -1.851 2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.414 -3.192 4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.660 -4.112 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.311 -4.332 3.296 1.00 0.00 H new ATOM 881 N VAL A 74 10.475 -7.325 -2.371 1.00 0.00 N ATOM 882 CA VAL A 74 9.988 -8.470 -3.121 1.00 0.00 C ATOM 883 C VAL A 74 10.160 -9.736 -2.280 1.00 0.00 C ATOM 884 O VAL A 74 9.206 -10.486 -2.078 1.00 0.00 O ATOM 885 CB VAL A 74 10.698 -8.550 -4.474 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.294 -9.817 -5.231 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.424 -7.299 -5.312 1.00 0.00 C ATOM 0 H VAL A 74 11.326 -6.902 -2.743 1.00 0.00 H new ATOM 0 HA VAL A 74 8.924 -8.363 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 74 11.771 -8.599 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.813 -9.849 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.564 -10.694 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.217 -9.811 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.940 -7.382 -6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.352 -7.205 -5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.784 -6.419 -4.780 1.00 0.00 H new ATOM 897 N VAL A 75 11.383 -9.934 -1.810 1.00 0.00 N ATOM 898 CA VAL A 75 11.692 -11.097 -0.995 1.00 0.00 C ATOM 899 C VAL A 75 10.873 -11.041 0.296 1.00 0.00 C ATOM 900 O VAL A 75 10.462 -12.075 0.819 1.00 0.00 O ATOM 901 CB VAL A 75 13.200 -11.174 -0.744 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.688 -9.955 0.041 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.570 -12.473 -0.027 1.00 0.00 C ATOM 0 H VAL A 75 12.171 -9.309 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 75 11.416 -12.014 -1.516 1.00 0.00 H new ATOM 0 HB VAL A 75 13.702 -11.171 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.763 -10.035 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.474 -9.048 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.176 -9.912 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.647 -12.503 0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.053 -12.519 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.274 -13.324 -0.640 1.00 0.00 H new ATOM 913 N ALA A 76 10.662 -9.823 0.773 1.00 0.00 N ATOM 914 CA ALA A 76 9.899 -9.619 1.993 1.00 0.00 C ATOM 915 C ALA A 76 8.495 -10.202 1.815 1.00 0.00 C ATOM 916 O ALA A 76 8.059 -11.032 2.611 1.00 0.00 O ATOM 917 CB ALA A 76 9.873 -8.129 2.336 1.00 0.00 C ATOM 0 H ALA A 76 11.006 -8.968 0.337 1.00 0.00 H new ATOM 0 HA ALA A 76 10.367 -10.137 2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.301 -7.976 3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.892 -7.771 2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.407 -7.576 1.520 1.00 0.00 H new ATOM 923 N VAL A 77 7.828 -9.743 0.767 1.00 0.00 N ATOM 924 CA VAL A 77 6.483 -10.208 0.475 1.00 0.00 C ATOM 925 C VAL A 77 6.517 -11.712 0.192 1.00 0.00 C ATOM 926 O VAL A 77 5.593 -12.437 0.555 1.00 0.00 O ATOM 927 CB VAL A 77 5.887 -9.397 -0.678 1.00 0.00 C ATOM 928 CG1 VAL A 77 5.134 -10.303 -1.654 1.00 0.00 C ATOM 929 CG2 VAL A 77 4.979 -8.283 -0.152 1.00 0.00 C ATOM 0 H VAL A 77 8.194 -9.054 0.110 1.00 0.00 H new ATOM 0 HA VAL A 77 5.831 -10.053 1.335 1.00 0.00 H new ATOM 0 HB VAL A 77 6.710 -8.931 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.720 -9.702 -2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.820 -11.044 -2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.325 -10.810 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.568 -7.722 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.164 -8.720 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.557 -7.613 0.485 1.00 0.00 H new ATOM 939 N CYS A 78 7.594 -12.135 -0.454 1.00 0.00 N ATOM 940 CA CYS A 78 7.761 -13.539 -0.789 1.00 0.00 C ATOM 941 C CYS A 78 7.657 -14.357 0.500 1.00 0.00 C ATOM 942 O CYS A 78 6.904 -15.327 0.564 1.00 0.00 O ATOM 943 CB CYS A 78 9.081 -13.792 -1.521 1.00 0.00 C ATOM 944 SG CYS A 78 8.883 -13.447 -3.307 1.00 0.00 S ATOM 0 H CYS A 78 8.359 -11.531 -0.754 1.00 0.00 H new ATOM 0 HA CYS A 78 6.974 -13.847 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 78 9.864 -13.159 -1.105 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.395 -14.825 -1.375 1.00 0.00 H new ATOM 0 HG CYS A 78 8.931 -12.164 -3.509 1.00 0.00 H new ATOM 950 N GLU A 79 8.424 -13.935 1.494 1.00 0.00 N ATOM 951 CA GLU A 79 8.428 -14.616 2.777 1.00 0.00 C ATOM 952 C GLU A 79 7.131 -14.325 3.536 1.00 0.00 C ATOM 953 O GLU A 79 6.673 -15.148 4.328 1.00 0.00 O ATOM 954 CB GLU A 79 9.650 -14.216 3.607 1.00 0.00 C ATOM 955 CG GLU A 79 10.860 -15.084 3.254 1.00 0.00 C ATOM 956 CD GLU A 79 12.164 -14.303 3.428 1.00 0.00 C ATOM 957 OE1 GLU A 79 12.189 -13.082 3.213 1.00 0.00 O ATOM 958 OE2 GLU A 79 13.176 -15.009 3.803 1.00 0.00 O ATOM 0 H GLU A 79 9.047 -13.130 1.437 1.00 0.00 H new ATOM 0 HA GLU A 79 8.488 -15.689 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.887 -13.167 3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.422 -14.317 4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.875 -15.970 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.775 -15.432 2.224 1.00 0.00 H new ATOM 966 N GLU A 80 6.577 -13.152 3.268 1.00 0.00 N ATOM 967 CA GLU A 80 5.342 -12.743 3.916 1.00 0.00 C ATOM 968 C GLU A 80 4.167 -13.571 3.391 1.00 0.00 C ATOM 969 O GLU A 80 3.135 -13.679 4.051 1.00 0.00 O ATOM 970 CB GLU A 80 5.089 -11.247 3.719 1.00 0.00 C ATOM 971 CG GLU A 80 4.082 -10.721 4.744 1.00 0.00 C ATOM 972 CD GLU A 80 4.328 -9.241 5.044 1.00 0.00 C ATOM 973 OE1 GLU A 80 4.537 -8.871 6.209 1.00 0.00 O ATOM 974 OE2 GLU A 80 4.297 -8.463 4.015 1.00 0.00 O ATOM 0 H GLU A 80 6.960 -12.472 2.611 1.00 0.00 H new ATOM 0 HA GLU A 80 5.439 -12.924 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.027 -10.701 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.715 -11.068 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.069 -10.856 4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.158 -11.300 5.664 1.00 0.00 H new ATOM 982 N LEU A 81 4.364 -14.134 2.208 1.00 0.00 N ATOM 983 CA LEU A 81 3.334 -14.949 1.587 1.00 0.00 C ATOM 984 C LEU A 81 3.448 -16.386 2.099 1.00 0.00 C ATOM 985 O LEU A 81 2.501 -17.164 1.993 1.00 0.00 O ATOM 986 CB LEU A 81 3.404 -14.833 0.063 1.00 0.00 C ATOM 987 CG LEU A 81 2.558 -13.723 -0.565 1.00 0.00 C ATOM 988 CD1 LEU A 81 2.553 -13.835 -2.091 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.142 -13.720 0.014 1.00 0.00 C ATOM 0 H LEU A 81 5.221 -14.042 1.663 1.00 0.00 H new ATOM 0 HA LEU A 81 2.344 -14.588 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.444 -14.675 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.096 -15.785 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 81 3.011 -12.764 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.945 -13.035 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.573 -13.751 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.137 -14.799 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.561 -12.922 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.665 -14.679 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.189 -13.557 1.091 1.00 0.00 H new ATOM 1001 N GLY A 82 4.616 -16.695 2.644 1.00 0.00 N ATOM 1002 CA GLY A 82 4.866 -18.025 3.174 1.00 0.00 C ATOM 1003 C GLY A 82 4.114 -19.086 2.369 1.00 0.00 C ATOM 1004 O GLY A 82 3.444 -19.945 2.941 1.00 0.00 O ATOM 0 H GLY A 82 5.399 -16.047 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.935 -18.235 3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.556 -18.068 4.218 1.00 0.00 H new ATOM 1008 N ALA A 83 4.249 -18.993 1.054 1.00 0.00 N ATOM 1009 CA ALA A 83 3.591 -19.934 0.165 1.00 0.00 C ATOM 1010 C ALA A 83 4.643 -20.643 -0.690 1.00 0.00 C ATOM 1011 O ALA A 83 5.546 -20.003 -1.225 1.00 0.00 O ATOM 1012 CB ALA A 83 2.552 -19.196 -0.682 1.00 0.00 C ATOM 0 H ALA A 83 4.805 -18.279 0.583 1.00 0.00 H new ATOM 0 HA ALA A 83 3.063 -20.697 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.058 -19.902 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.811 -18.735 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.046 -18.424 -1.272 1.00 0.00 H new ATOM 1018 N GLU A 84 4.490 -21.955 -0.792 1.00 0.00 N ATOM 1019 CA GLU A 84 5.416 -22.758 -1.573 1.00 0.00 C ATOM 1020 C GLU A 84 4.674 -23.904 -2.262 1.00 0.00 C ATOM 1021 O GLU A 84 5.290 -24.878 -2.692 1.00 0.00 O ATOM 1022 CB GLU A 84 6.554 -23.289 -0.698 1.00 0.00 C ATOM 1023 CG GLU A 84 6.034 -24.306 0.319 1.00 0.00 C ATOM 1024 CD GLU A 84 7.093 -25.368 0.622 1.00 0.00 C ATOM 1025 OE1 GLU A 84 7.738 -25.317 1.680 1.00 0.00 O ATOM 1026 OE2 GLU A 84 7.235 -26.272 -0.288 1.00 0.00 O ATOM 0 H GLU A 84 3.739 -22.482 -0.347 1.00 0.00 H new ATOM 0 HA GLU A 84 5.858 -22.124 -2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.314 -23.753 -1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.034 -22.461 -0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.753 -23.794 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.134 -24.784 -0.067 1.00 0.00 H new ATOM 1034 N GLU A 85 3.361 -23.750 -2.347 1.00 0.00 N ATOM 1035 CA GLU A 85 2.528 -24.760 -2.977 1.00 0.00 C ATOM 1036 C GLU A 85 1.048 -24.431 -2.771 1.00 0.00 C ATOM 1037 O GLU A 85 0.688 -23.739 -1.821 1.00 0.00 O ATOM 1038 CB GLU A 85 2.859 -26.155 -2.443 1.00 0.00 C ATOM 1039 CG GLU A 85 3.111 -27.136 -3.590 1.00 0.00 C ATOM 1040 CD GLU A 85 4.128 -28.205 -3.184 1.00 0.00 C ATOM 1041 OE1 GLU A 85 4.861 -28.720 -4.041 1.00 0.00 O ATOM 1042 OE2 GLU A 85 4.141 -28.495 -1.927 1.00 0.00 O ATOM 0 H GLU A 85 2.853 -22.941 -1.990 1.00 0.00 H new ATOM 0 HA GLU A 85 2.735 -24.758 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.740 -26.104 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.037 -26.516 -1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.174 -27.612 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.476 -26.595 -4.463 1.00 0.00 H new ATOM 1050 N CYS A 86 0.229 -24.944 -3.678 1.00 0.00 N ATOM 1051 CA CYS A 86 -1.204 -24.714 -3.608 1.00 0.00 C ATOM 1052 C CYS A 86 -1.864 -25.966 -3.028 1.00 0.00 C ATOM 1053 O CYS A 86 -2.276 -26.856 -3.772 1.00 0.00 O ATOM 1054 CB CYS A 86 -1.785 -24.343 -4.974 1.00 0.00 C ATOM 1055 SG CYS A 86 -3.589 -24.649 -4.991 1.00 0.00 S ATOM 0 H CYS A 86 0.531 -25.518 -4.465 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.407 -23.863 -2.957 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.584 -23.294 -5.191 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.301 -24.929 -5.755 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.838 -25.738 -5.655 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.944 -25.996 -1.706 1.00 0.00 N ATOM 1061 CA PHE A 87 -2.548 -27.125 -1.018 1.00 0.00 C ATOM 1062 C PHE A 87 -3.970 -27.379 -1.523 1.00 0.00 C ATOM 1063 O PHE A 87 -4.454 -28.509 -1.483 1.00 0.00 O ATOM 1064 CB PHE A 87 -2.603 -26.765 0.468 1.00 0.00 C ATOM 1065 CG PHE A 87 -3.405 -27.753 1.317 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -4.749 -27.593 1.459 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -2.776 -28.790 1.931 1.00 0.00 C ATOM 1068 CE1 PHE A 87 -5.493 -28.509 2.248 1.00 0.00 C ATOM 1069 CE2 PHE A 87 -3.520 -29.707 2.719 1.00 0.00 C ATOM 1070 CZ PHE A 87 -4.863 -29.547 2.861 1.00 0.00 C ATOM 0 H PHE A 87 -1.601 -25.257 -1.093 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.962 -28.027 -1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -1.586 -26.710 0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.039 -25.772 0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.249 -26.769 0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.709 -28.916 1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.559 -28.382 2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.020 -30.531 3.205 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.429 -30.244 3.461 1.00 0.00 H new ATOM 1080 N SER A 88 -4.599 -26.308 -1.986 1.00 0.00 N ATOM 1081 CA SER A 88 -5.955 -26.401 -2.498 1.00 0.00 C ATOM 1082 C SER A 88 -6.012 -27.403 -3.652 1.00 0.00 C ATOM 1083 O SER A 88 -7.091 -27.853 -4.036 1.00 0.00 O ATOM 1084 CB SER A 88 -6.465 -25.033 -2.957 1.00 0.00 C ATOM 1085 OG SER A 88 -6.472 -24.082 -1.896 1.00 0.00 O ATOM 0 H SER A 88 -4.194 -25.372 -2.017 1.00 0.00 H new ATOM 0 HA SER A 88 -6.601 -26.749 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.837 -24.666 -3.769 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.474 -25.138 -3.357 1.00 0.00 H new ATOM 0 HG SER A 88 -6.802 -23.222 -2.230 1.00 0.00 H new ATOM 1091 N CYS A 89 -4.837 -27.724 -4.173 1.00 0.00 N ATOM 1092 CA CYS A 89 -4.739 -28.665 -5.276 1.00 0.00 C ATOM 1093 C CYS A 89 -5.405 -29.975 -4.850 1.00 0.00 C ATOM 1094 O CYS A 89 -6.061 -30.633 -5.656 1.00 0.00 O ATOM 1095 CB CYS A 89 -3.288 -28.878 -5.711 1.00 0.00 C ATOM 1096 SG CYS A 89 -2.883 -27.763 -7.105 1.00 0.00 S ATOM 0 H CYS A 89 -3.944 -27.349 -3.852 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.255 -28.262 -6.148 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.617 -28.686 -4.874 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.137 -29.916 -6.009 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.648 -27.950 -7.466 1.00 0.00 H new