USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=16 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 100:sc= -5.24! USER MOD Set 1.2: A 34 HIS : no HE2:sc= -13.4! C(o=-18!,f=-21!) USER MOD Set 1.3: A 86 CYS SG : rot 31:sc= 0.789 USER MOD Set 1.4: A 88 SER OG : rot -58:sc= 0.0099 USER MOD Set 1.5: A 89 CYS SG : rot 105:sc= 0.0706 USER MOD Set 2.1: A 40 SER OG : rot 179:sc= 0.398 USER MOD Set 2.2: A 78 CYS SG : rot 180:sc= -0.876 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -178:sc= -1.42 USER MOD Single : A 37 THR OG1 : rot -150:sc= -0.858 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -51:sc= 1.29 USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.121) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0354) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= -0.198 (180deg=-0.844) USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 3.189 -2.310 -5.851 1.00 0.00 N ATOM 29 CA ALA A 18 4.408 -2.487 -6.622 1.00 0.00 C ATOM 30 C ALA A 18 5.116 -3.763 -6.163 1.00 0.00 C ATOM 31 O ALA A 18 5.800 -4.416 -6.951 1.00 0.00 O ATOM 32 CB ALA A 18 5.291 -1.246 -6.474 1.00 0.00 C ATOM 0 HA ALA A 18 4.178 -2.600 -7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.205 -1.379 -7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.754 -0.371 -6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.544 -1.103 -5.423 1.00 0.00 H new ATOM 38 N VAL A 19 4.928 -4.082 -4.891 1.00 0.00 N ATOM 39 CA VAL A 19 5.539 -5.268 -4.318 1.00 0.00 C ATOM 40 C VAL A 19 4.785 -6.509 -4.800 1.00 0.00 C ATOM 41 O VAL A 19 5.395 -7.465 -5.277 1.00 0.00 O ATOM 42 CB VAL A 19 5.583 -5.150 -2.793 1.00 0.00 C ATOM 43 CG1 VAL A 19 5.759 -3.693 -2.361 1.00 0.00 C ATOM 44 CG2 VAL A 19 4.333 -5.763 -2.159 1.00 0.00 C ATOM 0 H VAL A 19 4.360 -3.539 -4.241 1.00 0.00 H new ATOM 0 HA VAL A 19 6.572 -5.365 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 19 6.447 -5.711 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.787 -3.637 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.692 -3.303 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.924 -3.100 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.390 -5.666 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.447 -5.243 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.270 -6.818 -2.426 1.00 0.00 H new ATOM 54 N TYR A 20 3.469 -6.454 -4.658 1.00 0.00 N ATOM 55 CA TYR A 20 2.625 -7.562 -5.073 1.00 0.00 C ATOM 56 C TYR A 20 2.735 -7.800 -6.581 1.00 0.00 C ATOM 57 O TYR A 20 2.614 -8.933 -7.044 1.00 0.00 O ATOM 58 CB TYR A 20 1.191 -7.148 -4.738 1.00 0.00 C ATOM 59 CG TYR A 20 0.685 -7.685 -3.397 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.586 -8.089 -2.432 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.670 -7.765 -3.152 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.110 -8.594 -1.170 1.00 0.00 C ATOM 63 CE2 TYR A 20 -1.146 -8.270 -1.890 1.00 0.00 C ATOM 64 CZ TYR A 20 -0.232 -8.660 -0.962 1.00 0.00 C ATOM 65 OH TYR A 20 -0.681 -9.137 0.230 1.00 0.00 O ATOM 0 H TYR A 20 2.966 -5.660 -4.262 1.00 0.00 H new ATOM 0 HA TYR A 20 2.923 -8.481 -4.569 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.131 -6.060 -4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.529 -7.496 -5.530 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.647 -8.026 -2.623 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.375 -7.449 -3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.803 -8.913 -0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.204 -8.337 -1.686 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.661 -9.126 0.239 1.00 0.00 H new ATOM 75 N ILE A 21 2.961 -6.713 -7.304 1.00 0.00 N ATOM 76 CA ILE A 21 3.089 -6.790 -8.750 1.00 0.00 C ATOM 77 C ILE A 21 4.469 -7.344 -9.107 1.00 0.00 C ATOM 78 O ILE A 21 4.604 -8.125 -10.048 1.00 0.00 O ATOM 79 CB ILE A 21 2.787 -5.432 -9.387 1.00 0.00 C ATOM 80 CG1 ILE A 21 1.928 -5.594 -10.642 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.078 -4.661 -9.671 1.00 0.00 C ATOM 82 CD1 ILE A 21 2.485 -6.692 -11.550 1.00 0.00 C ATOM 0 H ILE A 21 3.059 -5.775 -6.916 1.00 0.00 H new ATOM 0 HA ILE A 21 2.353 -7.480 -9.162 1.00 0.00 H new ATOM 0 HB ILE A 21 2.209 -4.842 -8.676 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.904 -5.837 -10.357 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.892 -4.650 -11.187 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.836 -3.700 -10.124 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.617 -4.497 -8.738 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.703 -5.236 -10.354 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.856 -6.786 -12.435 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.500 -6.434 -11.852 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.497 -7.639 -11.010 1.00 0.00 H new ATOM 94 N ALA A 22 5.460 -6.918 -8.337 1.00 0.00 N ATOM 95 CA ALA A 22 6.826 -7.362 -8.561 1.00 0.00 C ATOM 96 C ALA A 22 6.928 -8.858 -8.254 1.00 0.00 C ATOM 97 O ALA A 22 7.543 -9.609 -9.008 1.00 0.00 O ATOM 98 CB ALA A 22 7.781 -6.525 -7.708 1.00 0.00 C ATOM 0 H ALA A 22 5.344 -6.270 -7.558 1.00 0.00 H new ATOM 0 HA ALA A 22 7.110 -7.219 -9.604 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.805 -6.858 -7.876 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.691 -5.475 -7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.528 -6.645 -6.655 1.00 0.00 H new ATOM 104 N ILE A 23 6.315 -9.245 -7.144 1.00 0.00 N ATOM 105 CA ILE A 23 6.330 -10.637 -6.728 1.00 0.00 C ATOM 106 C ILE A 23 5.491 -11.465 -7.704 1.00 0.00 C ATOM 107 O ILE A 23 5.820 -12.615 -7.989 1.00 0.00 O ATOM 108 CB ILE A 23 5.882 -10.765 -5.271 1.00 0.00 C ATOM 109 CG1 ILE A 23 4.461 -10.230 -5.084 1.00 0.00 C ATOM 110 CG2 ILE A 23 6.879 -10.085 -4.330 1.00 0.00 C ATOM 111 CD1 ILE A 23 3.427 -11.341 -5.279 1.00 0.00 C ATOM 0 H ILE A 23 5.805 -8.619 -6.521 1.00 0.00 H new ATOM 0 HA ILE A 23 7.344 -11.034 -6.762 1.00 0.00 H new ATOM 0 HB ILE A 23 5.863 -11.823 -5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.358 -9.803 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.275 -9.426 -5.796 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.537 -10.190 -3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.858 -10.553 -4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.953 -9.027 -4.581 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.425 -10.934 -5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.517 -11.749 -6.286 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.601 -12.132 -4.550 1.00 0.00 H new ATOM 123 N GLU A 24 4.424 -10.847 -8.189 1.00 0.00 N ATOM 124 CA GLU A 24 3.536 -11.513 -9.127 1.00 0.00 C ATOM 125 C GLU A 24 4.011 -11.283 -10.563 1.00 0.00 C ATOM 126 O GLU A 24 3.442 -11.833 -11.505 1.00 0.00 O ATOM 127 CB GLU A 24 2.092 -11.040 -8.945 1.00 0.00 C ATOM 128 CG GLU A 24 1.774 -9.876 -9.885 1.00 0.00 C ATOM 129 CD GLU A 24 0.576 -9.072 -9.377 1.00 0.00 C ATOM 130 OE1 GLU A 24 0.126 -9.282 -8.240 1.00 0.00 O ATOM 131 OE2 GLU A 24 0.111 -8.201 -10.207 1.00 0.00 O ATOM 0 H GLU A 24 4.154 -9.893 -7.950 1.00 0.00 H new ATOM 0 HA GLU A 24 3.562 -12.584 -8.924 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.408 -11.866 -9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.934 -10.731 -7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.644 -9.225 -9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.563 -10.258 -10.884 1.00 0.00 H new ATOM 139 N ALA A 25 5.050 -10.470 -10.685 1.00 0.00 N ATOM 140 CA ALA A 25 5.608 -10.160 -11.991 1.00 0.00 C ATOM 141 C ALA A 25 6.167 -11.439 -12.618 1.00 0.00 C ATOM 142 O ALA A 25 6.500 -11.460 -13.802 1.00 0.00 O ATOM 143 CB ALA A 25 6.671 -9.069 -11.846 1.00 0.00 C ATOM 0 H ALA A 25 5.520 -10.017 -9.902 1.00 0.00 H new ATOM 0 HA ALA A 25 4.836 -9.776 -12.657 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.090 -8.836 -12.825 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.217 -8.173 -11.423 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.465 -9.420 -11.186 1.00 0.00 H new ATOM 149 N GLY A 26 6.253 -12.475 -11.796 1.00 0.00 N ATOM 150 CA GLY A 26 6.765 -13.754 -12.255 1.00 0.00 C ATOM 151 C GLY A 26 7.691 -14.381 -11.210 1.00 0.00 C ATOM 152 O GLY A 26 8.134 -15.518 -11.370 1.00 0.00 O ATOM 0 H GLY A 26 5.976 -12.454 -10.814 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.935 -14.429 -12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.306 -13.618 -13.191 1.00 0.00 H new ATOM 156 N THR A 27 7.955 -13.613 -10.164 1.00 0.00 N ATOM 157 CA THR A 27 8.820 -14.079 -9.093 1.00 0.00 C ATOM 158 C THR A 27 8.276 -15.378 -8.495 1.00 0.00 C ATOM 159 O THR A 27 9.016 -16.347 -8.329 1.00 0.00 O ATOM 160 CB THR A 27 8.956 -12.949 -8.070 1.00 0.00 C ATOM 161 OG1 THR A 27 10.253 -12.412 -8.316 1.00 0.00 O ATOM 162 CG2 THR A 27 9.034 -13.468 -6.632 1.00 0.00 C ATOM 0 H THR A 27 7.585 -12.671 -10.035 1.00 0.00 H new ATOM 0 HA THR A 27 9.815 -14.322 -9.465 1.00 0.00 H new ATOM 0 HB THR A 27 8.110 -12.269 -8.165 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.438 -11.696 -7.673 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.130 -12.626 -5.946 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.128 -14.026 -6.397 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.900 -14.121 -6.528 1.00 0.00 H new ATOM 170 N LEU A 28 6.987 -15.356 -8.188 1.00 0.00 N ATOM 171 CA LEU A 28 6.335 -16.520 -7.612 1.00 0.00 C ATOM 172 C LEU A 28 5.072 -16.840 -8.413 1.00 0.00 C ATOM 173 O LEU A 28 4.702 -16.096 -9.320 1.00 0.00 O ATOM 174 CB LEU A 28 6.080 -16.308 -6.119 1.00 0.00 C ATOM 175 CG LEU A 28 5.696 -14.887 -5.700 1.00 0.00 C ATOM 176 CD1 LEU A 28 4.176 -14.733 -5.613 1.00 0.00 C ATOM 177 CD2 LEU A 28 6.388 -14.495 -4.393 1.00 0.00 C ATOM 0 H LEU A 28 6.377 -14.551 -8.327 1.00 0.00 H new ATOM 0 HA LEU A 28 6.985 -17.393 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.285 -16.985 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.978 -16.597 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 28 6.046 -14.198 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.930 -13.714 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.733 -14.942 -6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.781 -15.433 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.098 -13.481 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.091 -15.185 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.469 -14.540 -4.526 1.00 0.00 H new ATOM 189 N ALA A 29 4.443 -17.949 -8.049 1.00 0.00 N ATOM 190 CA ALA A 29 3.229 -18.376 -8.722 1.00 0.00 C ATOM 191 C ALA A 29 2.213 -18.849 -7.681 1.00 0.00 C ATOM 192 O ALA A 29 2.572 -19.536 -6.725 1.00 0.00 O ATOM 193 CB ALA A 29 3.567 -19.464 -9.743 1.00 0.00 C ATOM 0 H ALA A 29 4.752 -18.564 -7.296 1.00 0.00 H new ATOM 0 HA ALA A 29 2.780 -17.546 -9.267 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.656 -19.785 -10.248 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.269 -19.069 -10.477 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.017 -20.315 -9.232 1.00 0.00 H new ATOM 199 N GLU A 30 0.965 -18.462 -7.900 1.00 0.00 N ATOM 200 CA GLU A 30 -0.106 -18.838 -6.992 1.00 0.00 C ATOM 201 C GLU A 30 -1.352 -19.245 -7.781 1.00 0.00 C ATOM 202 O GLU A 30 -1.734 -18.571 -8.737 1.00 0.00 O ATOM 203 CB GLU A 30 -0.421 -17.703 -6.016 1.00 0.00 C ATOM 204 CG GLU A 30 -0.581 -16.373 -6.755 1.00 0.00 C ATOM 205 CD GLU A 30 -2.054 -16.087 -7.055 1.00 0.00 C ATOM 206 OE1 GLU A 30 -2.368 -15.457 -8.076 1.00 0.00 O ATOM 207 OE2 GLU A 30 -2.887 -16.545 -6.183 1.00 0.00 O ATOM 0 H GLU A 30 0.671 -17.892 -8.693 1.00 0.00 H new ATOM 0 HA GLU A 30 0.225 -19.695 -6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.336 -17.932 -5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.378 -17.620 -5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.165 -15.566 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.015 -16.400 -7.686 1.00 0.00 H new ATOM 215 N CYS A 31 -1.953 -20.345 -7.351 1.00 0.00 N ATOM 216 CA CYS A 31 -3.148 -20.849 -8.005 1.00 0.00 C ATOM 217 C CYS A 31 -4.202 -19.740 -8.000 1.00 0.00 C ATOM 218 O CYS A 31 -4.553 -19.216 -6.944 1.00 0.00 O ATOM 219 CB CYS A 31 -3.661 -22.127 -7.338 1.00 0.00 C ATOM 220 SG CYS A 31 -4.072 -23.376 -8.610 1.00 0.00 S ATOM 0 H CYS A 31 -1.634 -20.901 -6.558 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.915 -21.123 -9.034 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.904 -22.522 -6.660 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.543 -21.904 -6.737 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.099 -24.233 -8.707 1.00 0.00 H new ATOM 225 N GLU A 32 -4.678 -19.415 -9.193 1.00 0.00 N ATOM 226 CA GLU A 32 -5.685 -18.378 -9.341 1.00 0.00 C ATOM 227 C GLU A 32 -7.039 -18.877 -8.833 1.00 0.00 C ATOM 228 O GLU A 32 -8.000 -18.112 -8.762 1.00 0.00 O ATOM 229 CB GLU A 32 -5.782 -17.911 -10.794 1.00 0.00 C ATOM 230 CG GLU A 32 -4.446 -17.343 -11.279 1.00 0.00 C ATOM 231 CD GLU A 32 -4.659 -16.316 -12.392 1.00 0.00 C ATOM 232 OE1 GLU A 32 -4.752 -16.689 -13.571 1.00 0.00 O ATOM 233 OE2 GLU A 32 -4.728 -15.090 -11.997 1.00 0.00 O ATOM 0 H GLU A 32 -4.385 -19.852 -10.067 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.387 -17.520 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.078 -18.746 -11.429 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.558 -17.151 -10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.921 -16.877 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.813 -18.153 -11.642 1.00 0.00 H new ATOM 241 N VAL A 33 -7.072 -20.157 -8.492 1.00 0.00 N ATOM 242 CA VAL A 33 -8.293 -20.767 -7.993 1.00 0.00 C ATOM 243 C VAL A 33 -8.154 -21.020 -6.491 1.00 0.00 C ATOM 244 O VAL A 33 -9.146 -21.261 -5.804 1.00 0.00 O ATOM 245 CB VAL A 33 -8.605 -22.037 -8.787 1.00 0.00 C ATOM 246 CG1 VAL A 33 -7.395 -22.480 -9.612 1.00 0.00 C ATOM 247 CG2 VAL A 33 -9.078 -23.160 -7.861 1.00 0.00 C ATOM 0 H VAL A 33 -6.273 -20.788 -8.551 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.141 -20.096 -8.132 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.416 -21.809 -9.479 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.644 -23.385 -10.166 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.122 -21.690 -10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.555 -22.682 -8.947 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.293 -24.051 -8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.298 -23.385 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.981 -22.844 -7.338 1.00 0.00 H new ATOM 257 N HIS A 34 -6.916 -20.957 -6.024 1.00 0.00 N ATOM 258 CA HIS A 34 -6.634 -21.176 -4.616 1.00 0.00 C ATOM 259 C HIS A 34 -6.398 -19.831 -3.924 1.00 0.00 C ATOM 260 O HIS A 34 -5.294 -19.291 -3.970 1.00 0.00 O ATOM 261 CB HIS A 34 -5.465 -22.147 -4.440 1.00 0.00 C ATOM 262 CG HIS A 34 -5.621 -23.440 -5.203 1.00 0.00 C ATOM 263 ND1 HIS A 34 -6.118 -23.494 -6.493 1.00 0.00 N ATOM 264 CD2 HIS A 34 -5.339 -24.726 -4.845 1.00 0.00 C ATOM 265 CE1 HIS A 34 -6.132 -24.760 -6.884 1.00 0.00 C ATOM 266 NE2 HIS A 34 -5.648 -25.522 -5.861 1.00 0.00 N ATOM 0 H HIS A 34 -6.096 -20.757 -6.597 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.494 -21.645 -4.138 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.547 -21.656 -4.761 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.351 -22.374 -3.380 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -6.422 -22.695 -7.049 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.933 -25.043 -3.896 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.468 -25.125 -7.844 1.00 0.00 H new ATOM 274 N GLU A 35 -7.453 -19.330 -3.300 1.00 0.00 N ATOM 275 CA GLU A 35 -7.375 -18.059 -2.600 1.00 0.00 C ATOM 276 C GLU A 35 -6.543 -18.206 -1.325 1.00 0.00 C ATOM 277 O GLU A 35 -6.896 -18.977 -0.434 1.00 0.00 O ATOM 278 CB GLU A 35 -8.771 -17.519 -2.285 1.00 0.00 C ATOM 279 CG GLU A 35 -8.688 -16.205 -1.506 1.00 0.00 C ATOM 280 CD GLU A 35 -8.632 -15.007 -2.456 1.00 0.00 C ATOM 281 OE1 GLU A 35 -7.574 -14.727 -3.040 1.00 0.00 O ATOM 282 OE2 GLU A 35 -9.740 -14.357 -2.580 1.00 0.00 O ATOM 0 H GLU A 35 -8.367 -19.781 -3.264 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.882 -17.338 -3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.322 -17.362 -3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.327 -18.255 -1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.553 -16.112 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.803 -16.211 -0.870 1.00 0.00 H new ATOM 290 N GLY A 36 -5.453 -17.454 -1.277 1.00 0.00 N ATOM 291 CA GLY A 36 -4.568 -17.491 -0.125 1.00 0.00 C ATOM 292 C GLY A 36 -3.446 -18.511 -0.329 1.00 0.00 C ATOM 293 O GLY A 36 -2.426 -18.463 0.358 1.00 0.00 O ATOM 0 H GLY A 36 -5.163 -16.815 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.140 -16.502 0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.138 -17.746 0.768 1.00 0.00 H new ATOM 297 N THR A 37 -3.672 -19.410 -1.275 1.00 0.00 N ATOM 298 CA THR A 37 -2.692 -20.440 -1.578 1.00 0.00 C ATOM 299 C THR A 37 -1.719 -19.951 -2.652 1.00 0.00 C ATOM 300 O THR A 37 -2.116 -19.705 -3.789 1.00 0.00 O ATOM 301 CB THR A 37 -3.449 -21.709 -1.975 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.761 -21.508 -1.457 1.00 0.00 O ATOM 303 CG2 THR A 37 -2.942 -22.949 -1.235 1.00 0.00 C ATOM 0 H THR A 37 -4.519 -19.447 -1.842 1.00 0.00 H new ATOM 0 HA THR A 37 -2.077 -20.670 -0.708 1.00 0.00 H new ATOM 0 HB THR A 37 -3.357 -21.865 -3.050 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.159 -22.374 -1.230 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.513 -23.821 -1.553 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.887 -23.103 -1.463 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.065 -22.807 -0.161 1.00 0.00 H new ATOM 311 N TYR A 38 -0.462 -19.826 -2.253 1.00 0.00 N ATOM 312 CA TYR A 38 0.572 -19.371 -3.167 1.00 0.00 C ATOM 313 C TYR A 38 1.810 -20.267 -3.085 1.00 0.00 C ATOM 314 O TYR A 38 1.886 -21.150 -2.232 1.00 0.00 O ATOM 315 CB TYR A 38 0.948 -17.960 -2.711 1.00 0.00 C ATOM 316 CG TYR A 38 -0.148 -16.918 -2.945 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.346 -17.012 -2.268 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.063 -15.884 -3.835 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.377 -16.031 -2.489 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.967 -14.903 -4.056 1.00 0.00 C ATOM 321 CZ TYR A 38 -2.137 -15.025 -3.372 1.00 0.00 C ATOM 322 OH TYR A 38 -3.110 -14.098 -3.581 1.00 0.00 O ATOM 0 H TYR A 38 -0.136 -20.032 -1.309 1.00 0.00 H new ATOM 0 HA TYR A 38 0.212 -19.396 -4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.190 -17.985 -1.649 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.850 -17.648 -3.237 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.511 -17.821 -1.572 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.001 -15.811 -4.365 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.319 -16.093 -1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.815 -14.089 -4.749 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.799 -13.439 -4.236 1.00 0.00 H new ATOM 332 N PHE A 39 2.749 -20.008 -3.983 1.00 0.00 N ATOM 333 CA PHE A 39 3.979 -20.780 -4.023 1.00 0.00 C ATOM 334 C PHE A 39 5.057 -20.053 -4.830 1.00 0.00 C ATOM 335 O PHE A 39 4.853 -19.737 -6.001 1.00 0.00 O ATOM 336 CB PHE A 39 3.652 -22.107 -4.712 1.00 0.00 C ATOM 337 CG PHE A 39 4.009 -22.141 -6.199 1.00 0.00 C ATOM 338 CD1 PHE A 39 5.312 -22.128 -6.587 1.00 0.00 C ATOM 339 CD2 PHE A 39 3.022 -22.184 -7.134 1.00 0.00 C ATOM 340 CE1 PHE A 39 5.643 -22.159 -7.967 1.00 0.00 C ATOM 341 CE2 PHE A 39 3.353 -22.215 -8.515 1.00 0.00 C ATOM 342 CZ PHE A 39 4.656 -22.202 -8.902 1.00 0.00 C ATOM 0 H PHE A 39 2.683 -19.274 -4.688 1.00 0.00 H new ATOM 0 HA PHE A 39 4.358 -20.928 -3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.185 -22.910 -4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.587 -22.310 -4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.096 -22.094 -5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.987 -22.195 -6.826 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.678 -22.148 -8.275 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.569 -22.249 -9.257 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.908 -22.226 -9.952 1.00 0.00 H new ATOM 352 N SER A 40 6.180 -19.808 -4.170 1.00 0.00 N ATOM 353 CA SER A 40 7.290 -19.124 -4.811 1.00 0.00 C ATOM 354 C SER A 40 8.372 -20.133 -5.201 1.00 0.00 C ATOM 355 O SER A 40 8.553 -21.146 -4.526 1.00 0.00 O ATOM 356 CB SER A 40 7.874 -18.045 -3.897 1.00 0.00 C ATOM 357 OG SER A 40 8.423 -18.598 -2.704 1.00 0.00 O ATOM 0 H SER A 40 6.345 -20.071 -3.198 1.00 0.00 H new ATOM 0 HA SER A 40 6.917 -18.636 -5.711 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.649 -17.496 -4.433 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.095 -17.327 -3.639 1.00 0.00 H new ATOM 0 HG SER A 40 8.809 -17.881 -2.158 1.00 0.00 H new ATOM 363 N ASP A 41 9.063 -19.821 -6.287 1.00 0.00 N ATOM 364 CA ASP A 41 10.123 -20.688 -6.774 1.00 0.00 C ATOM 365 C ASP A 41 10.972 -21.162 -5.593 1.00 0.00 C ATOM 366 O ASP A 41 11.861 -20.445 -5.136 1.00 0.00 O ATOM 367 CB ASP A 41 11.040 -19.944 -7.747 1.00 0.00 C ATOM 368 CG ASP A 41 11.534 -20.775 -8.933 1.00 0.00 C ATOM 369 OD1 ASP A 41 10.735 -21.321 -9.708 1.00 0.00 O ATOM 370 OD2 ASP A 41 12.817 -20.851 -9.047 1.00 0.00 O ATOM 0 H ASP A 41 8.910 -18.980 -6.844 1.00 0.00 H new ATOM 0 HA ASP A 41 9.660 -21.530 -7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.509 -19.073 -8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.905 -19.574 -7.197 1.00 0.00 H new ATOM 376 N SER A 42 10.667 -22.366 -5.131 1.00 0.00 N ATOM 377 CA SER A 42 11.391 -22.944 -4.012 1.00 0.00 C ATOM 378 C SER A 42 12.812 -23.313 -4.442 1.00 0.00 C ATOM 379 O SER A 42 13.019 -23.824 -5.541 1.00 0.00 O ATOM 380 CB SER A 42 10.666 -24.174 -3.463 1.00 0.00 C ATOM 381 OG SER A 42 9.273 -23.936 -3.282 1.00 0.00 O ATOM 0 H SER A 42 9.928 -22.957 -5.512 1.00 0.00 H new ATOM 0 HA SER A 42 11.441 -22.200 -3.217 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.805 -25.012 -4.146 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.111 -24.462 -2.511 1.00 0.00 H new ATOM 0 HG SER A 42 8.846 -24.745 -2.932 1.00 0.00 H new ATOM 387 N GLY A 43 13.755 -23.038 -3.553 1.00 0.00 N ATOM 388 CA GLY A 43 15.151 -23.335 -3.827 1.00 0.00 C ATOM 389 C GLY A 43 15.955 -22.050 -4.033 1.00 0.00 C ATOM 390 O GLY A 43 17.162 -22.024 -3.799 1.00 0.00 O ATOM 0 H GLY A 43 13.580 -22.613 -2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.574 -23.904 -3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.226 -23.961 -4.716 1.00 0.00 H new ATOM 394 N ASP A 44 15.253 -21.014 -4.469 1.00 0.00 N ATOM 395 CA ASP A 44 15.886 -19.728 -4.709 1.00 0.00 C ATOM 396 C ASP A 44 14.918 -18.608 -4.322 1.00 0.00 C ATOM 397 O ASP A 44 14.209 -18.074 -5.172 1.00 0.00 O ATOM 398 CB ASP A 44 16.240 -19.557 -6.188 1.00 0.00 C ATOM 399 CG ASP A 44 17.487 -18.712 -6.460 1.00 0.00 C ATOM 400 OD1 ASP A 44 18.386 -19.124 -7.208 1.00 0.00 O ATOM 401 OD2 ASP A 44 17.514 -17.571 -5.859 1.00 0.00 O ATOM 0 H ASP A 44 14.252 -21.039 -4.662 1.00 0.00 H new ATOM 0 HA ASP A 44 16.797 -19.683 -4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 44 16.385 -20.544 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.392 -19.101 -6.699 1.00 0.00 H new ATOM 407 N ILE A 45 14.921 -18.286 -3.036 1.00 0.00 N ATOM 408 CA ILE A 45 14.053 -17.239 -2.526 1.00 0.00 C ATOM 409 C ILE A 45 14.570 -15.878 -2.997 1.00 0.00 C ATOM 410 O ILE A 45 13.808 -14.917 -3.085 1.00 0.00 O ATOM 411 CB ILE A 45 13.914 -17.352 -1.006 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.686 -18.183 -0.628 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.892 -15.968 -0.353 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.428 -17.314 -0.584 1.00 0.00 C ATOM 0 H ILE A 45 15.511 -18.732 -2.333 1.00 0.00 H new ATOM 0 HA ILE A 45 13.045 -17.352 -2.925 1.00 0.00 H new ATOM 0 HB ILE A 45 14.789 -17.876 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.551 -18.988 -1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.844 -18.650 0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.792 -16.077 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.820 -15.443 -0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.048 -15.397 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.570 -17.929 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.557 -16.525 0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.259 -16.868 -1.564 1.00 0.00 H new ATOM 426 N SER A 46 15.862 -15.840 -3.287 1.00 0.00 N ATOM 427 CA SER A 46 16.490 -14.613 -3.747 1.00 0.00 C ATOM 428 C SER A 46 16.044 -14.301 -5.177 1.00 0.00 C ATOM 429 O SER A 46 16.039 -13.142 -5.590 1.00 0.00 O ATOM 430 CB SER A 46 18.015 -14.716 -3.677 1.00 0.00 C ATOM 431 OG SER A 46 18.559 -15.374 -4.818 1.00 0.00 O ATOM 0 H SER A 46 16.491 -16.639 -3.212 1.00 0.00 H new ATOM 0 HA SER A 46 16.177 -13.801 -3.091 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.442 -13.717 -3.597 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.301 -15.258 -2.776 1.00 0.00 H new ATOM 0 HG SER A 46 18.088 -16.221 -4.963 1.00 0.00 H new ATOM 437 N GLU A 47 15.681 -15.355 -5.893 1.00 0.00 N ATOM 438 CA GLU A 47 15.234 -15.208 -7.267 1.00 0.00 C ATOM 439 C GLU A 47 14.018 -14.281 -7.334 1.00 0.00 C ATOM 440 O GLU A 47 13.775 -13.643 -8.357 1.00 0.00 O ATOM 441 CB GLU A 47 14.921 -16.569 -7.891 1.00 0.00 C ATOM 442 CG GLU A 47 16.172 -17.183 -8.524 1.00 0.00 C ATOM 443 CD GLU A 47 16.324 -16.738 -9.980 1.00 0.00 C ATOM 444 OE1 GLU A 47 17.454 -16.574 -10.463 1.00 0.00 O ATOM 445 OE2 GLU A 47 15.215 -16.563 -10.615 1.00 0.00 O ATOM 0 H GLU A 47 15.687 -16.314 -5.547 1.00 0.00 H new ATOM 0 HA GLU A 47 16.042 -14.758 -7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.528 -17.241 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.144 -16.456 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.054 -16.888 -7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.112 -18.270 -8.477 1.00 0.00 H new ATOM 453 N ALA A 48 13.286 -14.238 -6.230 1.00 0.00 N ATOM 454 CA ALA A 48 12.101 -13.400 -6.151 1.00 0.00 C ATOM 455 C ALA A 48 12.506 -11.934 -6.319 1.00 0.00 C ATOM 456 O ALA A 48 11.887 -11.200 -7.088 1.00 0.00 O ATOM 457 CB ALA A 48 11.382 -13.658 -4.825 1.00 0.00 C ATOM 0 H ALA A 48 13.490 -14.769 -5.384 1.00 0.00 H new ATOM 0 HA ALA A 48 11.404 -13.643 -6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.493 -13.030 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.090 -14.707 -4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.050 -13.421 -3.997 1.00 0.00 H new ATOM 463 N GLU A 49 13.542 -11.552 -5.588 1.00 0.00 N ATOM 464 CA GLU A 49 14.037 -10.187 -5.647 1.00 0.00 C ATOM 465 C GLU A 49 14.723 -9.928 -6.990 1.00 0.00 C ATOM 466 O GLU A 49 14.650 -8.823 -7.525 1.00 0.00 O ATOM 467 CB GLU A 49 14.985 -9.896 -4.482 1.00 0.00 C ATOM 468 CG GLU A 49 16.446 -9.976 -4.931 1.00 0.00 C ATOM 469 CD GLU A 49 17.389 -9.997 -3.727 1.00 0.00 C ATOM 470 OE1 GLU A 49 17.776 -8.932 -3.224 1.00 0.00 O ATOM 471 OE2 GLU A 49 17.720 -11.174 -3.314 1.00 0.00 O ATOM 0 H GLU A 49 14.053 -12.164 -4.951 1.00 0.00 H new ATOM 0 HA GLU A 49 13.187 -9.510 -5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.778 -8.904 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.808 -10.610 -3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 49 16.597 -10.873 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.682 -9.123 -5.567 1.00 0.00 H new ATOM 479 N GLU A 50 15.373 -10.966 -7.496 1.00 0.00 N ATOM 480 CA GLU A 50 16.071 -10.865 -8.766 1.00 0.00 C ATOM 481 C GLU A 50 15.078 -10.588 -9.897 1.00 0.00 C ATOM 482 O GLU A 50 15.190 -9.581 -10.594 1.00 0.00 O ATOM 483 CB GLU A 50 16.884 -12.130 -9.047 1.00 0.00 C ATOM 484 CG GLU A 50 17.916 -11.885 -10.150 1.00 0.00 C ATOM 485 CD GLU A 50 19.058 -12.900 -10.067 1.00 0.00 C ATOM 486 OE1 GLU A 50 19.211 -13.579 -9.041 1.00 0.00 O ATOM 487 OE2 GLU A 50 19.802 -12.970 -11.118 1.00 0.00 O ATOM 0 H GLU A 50 15.431 -11.881 -7.049 1.00 0.00 H new ATOM 0 HA GLU A 50 16.769 -10.030 -8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.389 -12.452 -8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.215 -12.938 -9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 50 17.434 -11.953 -11.125 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.315 -10.875 -10.062 1.00 0.00 H new ATOM 495 N LEU A 51 14.129 -11.501 -10.044 1.00 0.00 N ATOM 496 CA LEU A 51 13.117 -11.368 -11.078 1.00 0.00 C ATOM 497 C LEU A 51 12.411 -10.019 -10.925 1.00 0.00 C ATOM 498 O LEU A 51 12.158 -9.332 -11.913 1.00 0.00 O ATOM 499 CB LEU A 51 12.166 -12.566 -11.054 1.00 0.00 C ATOM 500 CG LEU A 51 12.818 -13.944 -11.190 1.00 0.00 C ATOM 501 CD1 LEU A 51 11.855 -15.051 -10.758 1.00 0.00 C ATOM 502 CD2 LEU A 51 13.345 -14.163 -12.609 1.00 0.00 C ATOM 0 H LEU A 51 14.040 -12.336 -9.464 1.00 0.00 H new ATOM 0 HA LEU A 51 13.578 -11.376 -12.066 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.606 -12.542 -10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.443 -12.447 -11.861 1.00 0.00 H new ATOM 0 HG LEU A 51 13.676 -13.984 -10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.343 -16.020 -10.864 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.571 -14.900 -9.717 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.964 -15.023 -11.385 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.803 -15.149 -12.679 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.520 -14.095 -13.318 1.00 0.00 H new ATOM 0 HD23 LEU A 51 14.088 -13.400 -12.843 1.00 0.00 H new ATOM 514 N ALA A 52 12.114 -9.681 -9.679 1.00 0.00 N ATOM 515 CA ALA A 52 11.442 -8.427 -9.384 1.00 0.00 C ATOM 516 C ALA A 52 12.385 -7.263 -9.695 1.00 0.00 C ATOM 517 O ALA A 52 11.943 -6.198 -10.122 1.00 0.00 O ATOM 518 CB ALA A 52 10.977 -8.427 -7.927 1.00 0.00 C ATOM 0 H ALA A 52 12.326 -10.254 -8.862 1.00 0.00 H new ATOM 0 HA ALA A 52 10.556 -8.310 -10.009 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.473 -7.486 -7.706 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.287 -9.255 -7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.839 -8.540 -7.270 1.00 0.00 H new ATOM 524 N ARG A 53 13.668 -7.506 -9.469 1.00 0.00 N ATOM 525 CA ARG A 53 14.677 -6.491 -9.719 1.00 0.00 C ATOM 526 C ARG A 53 14.664 -6.082 -11.193 1.00 0.00 C ATOM 527 O ARG A 53 14.698 -4.894 -11.512 1.00 0.00 O ATOM 528 CB ARG A 53 16.073 -7.000 -9.352 1.00 0.00 C ATOM 529 CG ARG A 53 17.116 -5.890 -9.496 1.00 0.00 C ATOM 530 CD ARG A 53 18.531 -6.440 -9.303 1.00 0.00 C ATOM 531 NE ARG A 53 18.560 -7.372 -8.153 1.00 0.00 N ATOM 532 CZ ARG A 53 19.475 -8.337 -7.992 1.00 0.00 C ATOM 533 NH1 ARG A 53 20.442 -8.503 -8.904 1.00 0.00 N ATOM 534 NH2 ARG A 53 19.423 -9.136 -6.917 1.00 0.00 N ATOM 0 H ARG A 53 14.032 -8.391 -9.116 1.00 0.00 H new ATOM 0 HA ARG A 53 14.441 -5.628 -9.096 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.071 -7.371 -8.327 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.339 -7.839 -9.995 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.031 -5.432 -10.481 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.923 -5.107 -8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.856 -6.955 -10.207 1.00 0.00 H new ATOM 0 HD3 ARG A 53 19.229 -5.620 -9.135 1.00 0.00 H new ATOM 0 HE ARG A 53 17.838 -7.273 -7.439 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.482 -7.894 -9.722 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.138 -9.238 -8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.687 -9.009 -6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.119 -9.871 -6.794 1.00 0.00 H new ATOM 548 N GLU A 54 14.613 -7.088 -12.054 1.00 0.00 N ATOM 549 CA GLU A 54 14.594 -6.847 -13.487 1.00 0.00 C ATOM 550 C GLU A 54 13.201 -6.398 -13.931 1.00 0.00 C ATOM 551 O GLU A 54 13.053 -5.350 -14.557 1.00 0.00 O ATOM 552 CB GLU A 54 15.041 -8.091 -14.258 1.00 0.00 C ATOM 553 CG GLU A 54 15.093 -7.815 -15.761 1.00 0.00 C ATOM 554 CD GLU A 54 15.921 -8.878 -16.486 1.00 0.00 C ATOM 555 OE1 GLU A 54 15.747 -9.081 -17.697 1.00 0.00 O ATOM 556 OE2 GLU A 54 16.772 -9.504 -15.746 1.00 0.00 O ATOM 0 H GLU A 54 14.584 -8.072 -11.787 1.00 0.00 H new ATOM 0 HA GLU A 54 15.300 -6.048 -13.711 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.024 -8.406 -13.908 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.353 -8.913 -14.059 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.081 -7.798 -16.166 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.524 -6.830 -15.939 1.00 0.00 H new ATOM 564 N LYS A 55 12.214 -7.214 -13.590 1.00 0.00 N ATOM 565 CA LYS A 55 10.838 -6.914 -13.946 1.00 0.00 C ATOM 566 C LYS A 55 10.519 -5.468 -13.559 1.00 0.00 C ATOM 567 O LYS A 55 10.073 -4.682 -14.394 1.00 0.00 O ATOM 568 CB LYS A 55 9.888 -7.940 -13.325 1.00 0.00 C ATOM 569 CG LYS A 55 8.670 -8.173 -14.222 1.00 0.00 C ATOM 570 CD LYS A 55 9.099 -8.581 -15.633 1.00 0.00 C ATOM 571 CE LYS A 55 8.003 -9.394 -16.326 1.00 0.00 C ATOM 572 NZ LYS A 55 6.746 -8.616 -16.394 1.00 0.00 N ATOM 0 H LYS A 55 12.340 -8.083 -13.071 1.00 0.00 H new ATOM 0 HA LYS A 55 10.697 -6.995 -15.024 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.415 -8.881 -13.169 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.561 -7.592 -12.345 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.039 -8.950 -13.791 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.069 -7.265 -14.269 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.323 -7.691 -16.221 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.016 -9.168 -15.583 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.324 -9.666 -17.331 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.833 -10.324 -15.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.079 -9.089 -17.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.325 -8.552 -15.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.949 -7.659 -16.748 1.00 0.00 H new ATOM 586 N PHE A 56 10.760 -5.161 -12.293 1.00 0.00 N ATOM 587 CA PHE A 56 10.505 -3.823 -11.786 1.00 0.00 C ATOM 588 C PHE A 56 11.417 -2.797 -12.461 1.00 0.00 C ATOM 589 O PHE A 56 10.970 -1.712 -12.830 1.00 0.00 O ATOM 590 CB PHE A 56 10.807 -3.849 -10.287 1.00 0.00 C ATOM 591 CG PHE A 56 10.235 -2.657 -9.516 1.00 0.00 C ATOM 592 CD1 PHE A 56 10.575 -1.389 -9.874 1.00 0.00 C ATOM 593 CD2 PHE A 56 9.387 -2.865 -8.474 1.00 0.00 C ATOM 594 CE1 PHE A 56 10.044 -0.283 -9.159 1.00 0.00 C ATOM 595 CE2 PHE A 56 8.856 -1.758 -7.759 1.00 0.00 C ATOM 596 CZ PHE A 56 9.196 -0.491 -8.117 1.00 0.00 C ATOM 0 H PHE A 56 11.129 -5.815 -11.603 1.00 0.00 H new ATOM 0 HA PHE A 56 9.472 -3.539 -11.989 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.407 -4.769 -9.862 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.887 -3.876 -10.145 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.249 -1.224 -10.702 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.117 -3.871 -8.190 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.314 0.723 -9.443 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.182 -1.923 -6.931 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.792 0.350 -7.573 1.00 0.00 H new ATOM 606 N GLU A 57 12.678 -3.177 -12.603 1.00 0.00 N ATOM 607 CA GLU A 57 13.657 -2.303 -13.227 1.00 0.00 C ATOM 608 C GLU A 57 13.349 -2.140 -14.717 1.00 0.00 C ATOM 609 O GLU A 57 13.903 -1.262 -15.377 1.00 0.00 O ATOM 610 CB GLU A 57 15.077 -2.831 -13.016 1.00 0.00 C ATOM 611 CG GLU A 57 16.101 -1.958 -13.744 1.00 0.00 C ATOM 612 CD GLU A 57 16.001 -0.501 -13.288 1.00 0.00 C ATOM 613 OE1 GLU A 57 15.392 0.326 -13.983 1.00 0.00 O ATOM 614 OE2 GLU A 57 16.584 -0.239 -12.167 1.00 0.00 O ATOM 0 H GLU A 57 13.045 -4.078 -12.297 1.00 0.00 H new ATOM 0 HA GLU A 57 13.595 -1.323 -12.753 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.306 -2.854 -11.950 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.145 -3.857 -13.379 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.106 -2.334 -13.554 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.937 -2.018 -14.820 1.00 0.00 H new ATOM 622 N LYS A 58 12.466 -2.999 -15.204 1.00 0.00 N ATOM 623 CA LYS A 58 12.077 -2.961 -16.603 1.00 0.00 C ATOM 624 C LYS A 58 11.017 -1.877 -16.804 1.00 0.00 C ATOM 625 O LYS A 58 10.495 -1.710 -17.906 1.00 0.00 O ATOM 626 CB LYS A 58 11.636 -4.348 -17.075 1.00 0.00 C ATOM 627 CG LYS A 58 11.594 -4.420 -18.603 1.00 0.00 C ATOM 628 CD LYS A 58 12.954 -4.064 -19.206 1.00 0.00 C ATOM 629 CE LYS A 58 13.101 -4.649 -20.612 1.00 0.00 C ATOM 630 NZ LYS A 58 14.103 -3.886 -21.389 1.00 0.00 N ATOM 0 H LYS A 58 12.009 -3.726 -14.654 1.00 0.00 H new ATOM 0 HA LYS A 58 12.929 -2.694 -17.228 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.323 -5.102 -16.691 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.651 -4.578 -16.669 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.305 -5.423 -18.916 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.834 -3.737 -18.982 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.066 -2.980 -19.246 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.750 -4.443 -18.565 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.402 -5.695 -20.547 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.139 -4.625 -21.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.190 -4.296 -22.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.800 -2.894 -21.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.023 -3.931 -20.907 1.00 0.00 H new ATOM 754 N VAL A 67 17.282 0.181 -5.630 1.00 0.00 N ATOM 755 CA VAL A 67 16.852 -1.068 -6.235 1.00 0.00 C ATOM 756 C VAL A 67 17.004 -2.201 -5.219 1.00 0.00 C ATOM 757 O VAL A 67 16.182 -3.115 -5.175 1.00 0.00 O ATOM 758 CB VAL A 67 17.628 -1.317 -7.530 1.00 0.00 C ATOM 759 CG1 VAL A 67 19.137 -1.226 -7.290 1.00 0.00 C ATOM 760 CG2 VAL A 67 17.251 -2.666 -8.145 1.00 0.00 C ATOM 0 HA VAL A 67 15.798 -1.017 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 67 17.353 -0.537 -8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 67 19.666 -1.407 -8.226 1.00 0.00 H new ATOM 0 HG12 VAL A 67 19.387 -0.232 -6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 67 19.434 -1.974 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.817 -2.818 -9.064 1.00 0.00 H new ATOM 0 HG22 VAL A 67 17.483 -3.465 -7.440 1.00 0.00 H new ATOM 0 HG23 VAL A 67 16.184 -2.678 -8.369 1.00 0.00 H new ATOM 770 N GLU A 68 18.062 -2.104 -4.427 1.00 0.00 N ATOM 771 CA GLU A 68 18.332 -3.110 -3.414 1.00 0.00 C ATOM 772 C GLU A 68 17.221 -3.117 -2.362 1.00 0.00 C ATOM 773 O GLU A 68 16.877 -4.168 -1.825 1.00 0.00 O ATOM 774 CB GLU A 68 19.699 -2.882 -2.765 1.00 0.00 C ATOM 775 CG GLU A 68 20.814 -3.517 -3.598 1.00 0.00 C ATOM 776 CD GLU A 68 21.057 -2.725 -4.885 1.00 0.00 C ATOM 777 OE1 GLU A 68 21.210 -3.322 -5.961 1.00 0.00 O ATOM 778 OE2 GLU A 68 21.084 -1.444 -4.739 1.00 0.00 O ATOM 0 H GLU A 68 18.742 -1.345 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 68 18.354 -4.087 -3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.882 -1.813 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.704 -3.306 -1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 68 21.733 -3.557 -3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.548 -4.545 -3.844 1.00 0.00 H new ATOM 786 N GLU A 69 16.691 -1.931 -2.100 1.00 0.00 N ATOM 787 CA GLU A 69 15.626 -1.787 -1.123 1.00 0.00 C ATOM 788 C GLU A 69 14.312 -2.334 -1.685 1.00 0.00 C ATOM 789 O GLU A 69 13.575 -3.029 -0.987 1.00 0.00 O ATOM 790 CB GLU A 69 15.472 -0.328 -0.690 1.00 0.00 C ATOM 791 CG GLU A 69 14.609 -0.217 0.569 1.00 0.00 C ATOM 792 CD GLU A 69 15.412 -0.585 1.818 1.00 0.00 C ATOM 793 OE1 GLU A 69 16.244 0.211 2.277 1.00 0.00 O ATOM 794 OE2 GLU A 69 15.146 -1.746 2.315 1.00 0.00 O ATOM 0 H GLU A 69 16.980 -1.061 -2.548 1.00 0.00 H new ATOM 0 HA GLU A 69 15.890 -2.368 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 69 16.455 0.104 -0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.020 0.249 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.227 0.800 0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.745 -0.875 0.481 1.00 0.00 H new ATOM 802 N LEU A 70 14.058 -1.999 -2.942 1.00 0.00 N ATOM 803 CA LEU A 70 12.846 -2.448 -3.606 1.00 0.00 C ATOM 804 C LEU A 70 12.852 -3.975 -3.690 1.00 0.00 C ATOM 805 O LEU A 70 11.907 -4.628 -3.248 1.00 0.00 O ATOM 806 CB LEU A 70 12.692 -1.757 -4.962 1.00 0.00 C ATOM 807 CG LEU A 70 11.468 -2.164 -5.786 1.00 0.00 C ATOM 808 CD1 LEU A 70 11.840 -3.208 -6.841 1.00 0.00 C ATOM 809 CD2 LEU A 70 10.332 -2.644 -4.881 1.00 0.00 C ATOM 0 H LEU A 70 14.671 -1.422 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 70 11.966 -2.164 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.653 -0.680 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.586 -1.956 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 70 11.106 -1.284 -6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.953 -3.480 -7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.592 -2.794 -7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.241 -4.095 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.475 -2.927 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.666 -3.506 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.044 -1.842 -4.202 1.00 0.00 H new ATOM 821 N VAL A 71 13.926 -4.501 -4.260 1.00 0.00 N ATOM 822 CA VAL A 71 14.066 -5.940 -4.408 1.00 0.00 C ATOM 823 C VAL A 71 13.960 -6.602 -3.033 1.00 0.00 C ATOM 824 O VAL A 71 13.367 -7.671 -2.899 1.00 0.00 O ATOM 825 CB VAL A 71 15.375 -6.266 -5.130 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.299 -5.876 -6.608 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.563 -5.588 -4.445 1.00 0.00 C ATOM 0 H VAL A 71 14.708 -3.957 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 71 13.262 -6.341 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 71 15.527 -7.344 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.242 -6.118 -7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.489 -6.426 -7.088 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.111 -4.806 -6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.481 -5.836 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.420 -4.508 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.636 -5.936 -3.415 1.00 0.00 H new ATOM 837 N LYS A 72 14.545 -5.940 -2.046 1.00 0.00 N ATOM 838 CA LYS A 72 14.524 -6.451 -0.686 1.00 0.00 C ATOM 839 C LYS A 72 13.073 -6.601 -0.225 1.00 0.00 C ATOM 840 O LYS A 72 12.699 -7.631 0.333 1.00 0.00 O ATOM 841 CB LYS A 72 15.373 -5.568 0.231 1.00 0.00 C ATOM 842 CG LYS A 72 16.752 -6.190 0.468 1.00 0.00 C ATOM 843 CD LYS A 72 16.633 -7.520 1.214 1.00 0.00 C ATOM 844 CE LYS A 72 17.035 -7.362 2.682 1.00 0.00 C ATOM 845 NZ LYS A 72 15.926 -6.769 3.463 1.00 0.00 N ATOM 0 H LYS A 72 15.037 -5.054 -2.161 1.00 0.00 H new ATOM 0 HA LYS A 72 14.976 -7.442 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.487 -4.580 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.863 -5.431 1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.252 -6.348 -0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.372 -5.501 1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.608 -7.886 1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.268 -8.267 0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.302 -8.333 3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.919 -6.729 2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.184 -6.747 4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.746 -5.800 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.068 -7.343 3.338 1.00 0.00 H new ATOM 859 N LYS A 73 12.296 -5.557 -0.474 1.00 0.00 N ATOM 860 CA LYS A 73 10.894 -5.560 -0.091 1.00 0.00 C ATOM 861 C LYS A 73 10.175 -6.702 -0.812 1.00 0.00 C ATOM 862 O LYS A 73 9.237 -7.288 -0.273 1.00 0.00 O ATOM 863 CB LYS A 73 10.269 -4.186 -0.339 1.00 0.00 C ATOM 864 CG LYS A 73 10.813 -3.150 0.647 1.00 0.00 C ATOM 865 CD LYS A 73 10.662 -1.732 0.091 1.00 0.00 C ATOM 866 CE LYS A 73 9.187 -1.357 -0.061 1.00 0.00 C ATOM 867 NZ LYS A 73 8.428 -1.736 1.152 1.00 0.00 N ATOM 0 H LYS A 73 12.610 -4.704 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 73 10.791 -5.744 0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.478 -3.866 -1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.185 -4.252 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.282 -3.231 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.864 -3.354 0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.155 -1.023 0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.160 -1.662 -0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.094 -0.285 -0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.766 -1.859 -0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.504 -1.258 1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.285 -2.766 1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.961 -1.450 1.998 1.00 0.00 H new ATOM 881 N VAL A 74 10.642 -6.984 -2.019 1.00 0.00 N ATOM 882 CA VAL A 74 10.055 -8.046 -2.819 1.00 0.00 C ATOM 883 C VAL A 74 10.290 -9.390 -2.127 1.00 0.00 C ATOM 884 O VAL A 74 9.352 -10.158 -1.921 1.00 0.00 O ATOM 885 CB VAL A 74 10.617 -8.000 -4.242 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.008 -9.105 -5.107 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.396 -6.624 -4.874 1.00 0.00 C ATOM 0 H VAL A 74 11.420 -6.496 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 74 8.977 -7.909 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 74 11.692 -8.173 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.424 -9.050 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.239 -10.077 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.927 -8.976 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.804 -6.618 -5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.328 -6.409 -4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.898 -5.864 -4.275 1.00 0.00 H new ATOM 897 N VAL A 75 11.548 -9.632 -1.787 1.00 0.00 N ATOM 898 CA VAL A 75 11.918 -10.870 -1.122 1.00 0.00 C ATOM 899 C VAL A 75 11.074 -11.036 0.143 1.00 0.00 C ATOM 900 O VAL A 75 10.578 -12.126 0.424 1.00 0.00 O ATOM 901 CB VAL A 75 13.422 -10.885 -0.844 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.703 -11.167 0.634 1.00 0.00 C ATOM 903 CG2 VAL A 75 14.136 -11.898 -1.741 1.00 0.00 C ATOM 0 H VAL A 75 12.323 -8.992 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 75 11.712 -11.726 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 75 13.816 -9.896 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.779 -11.172 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.242 -10.392 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.288 -12.138 0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 75 15.204 -11.888 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.737 -12.895 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.977 -11.634 -2.786 1.00 0.00 H new ATOM 913 N ALA A 76 10.936 -9.939 0.873 1.00 0.00 N ATOM 914 CA ALA A 76 10.161 -9.949 2.102 1.00 0.00 C ATOM 915 C ALA A 76 8.724 -10.371 1.789 1.00 0.00 C ATOM 916 O ALA A 76 8.186 -11.275 2.428 1.00 0.00 O ATOM 917 CB ALA A 76 10.234 -8.571 2.763 1.00 0.00 C ATOM 0 H ALA A 76 11.348 -9.036 0.637 1.00 0.00 H new ATOM 0 HA ALA A 76 10.570 -10.671 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.653 -8.578 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.273 -8.331 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.829 -7.820 2.085 1.00 0.00 H new ATOM 923 N VAL A 77 8.143 -9.697 0.808 1.00 0.00 N ATOM 924 CA VAL A 77 6.779 -9.991 0.403 1.00 0.00 C ATOM 925 C VAL A 77 6.673 -11.467 0.016 1.00 0.00 C ATOM 926 O VAL A 77 5.675 -12.121 0.314 1.00 0.00 O ATOM 927 CB VAL A 77 6.352 -9.046 -0.722 1.00 0.00 C ATOM 928 CG1 VAL A 77 4.871 -9.230 -1.061 1.00 0.00 C ATOM 929 CG2 VAL A 77 6.655 -7.590 -0.360 1.00 0.00 C ATOM 0 H VAL A 77 8.592 -8.948 0.281 1.00 0.00 H new ATOM 0 HA VAL A 77 6.090 -9.822 1.231 1.00 0.00 H new ATOM 0 HB VAL A 77 6.932 -9.298 -1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.594 -8.546 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.696 -10.257 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.267 -9.018 -0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.342 -6.939 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.114 -7.320 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.726 -7.472 -0.192 1.00 0.00 H new ATOM 939 N CYS A 78 7.717 -11.950 -0.643 1.00 0.00 N ATOM 940 CA CYS A 78 7.753 -13.337 -1.074 1.00 0.00 C ATOM 941 C CYS A 78 7.591 -14.227 0.159 1.00 0.00 C ATOM 942 O CYS A 78 6.760 -15.135 0.169 1.00 0.00 O ATOM 943 CB CYS A 78 9.037 -13.656 -1.844 1.00 0.00 C ATOM 944 SG CYS A 78 9.063 -15.425 -2.310 1.00 0.00 S ATOM 0 H CYS A 78 8.544 -11.405 -0.889 1.00 0.00 H new ATOM 0 HA CYS A 78 6.934 -13.527 -1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 78 9.099 -13.035 -2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.907 -13.420 -1.231 1.00 0.00 H new ATOM 0 HG CYS A 78 10.156 -15.685 -2.965 1.00 0.00 H new ATOM 950 N GLU A 79 8.397 -13.937 1.169 1.00 0.00 N ATOM 951 CA GLU A 79 8.354 -14.701 2.405 1.00 0.00 C ATOM 952 C GLU A 79 7.032 -14.454 3.135 1.00 0.00 C ATOM 953 O GLU A 79 6.527 -15.336 3.828 1.00 0.00 O ATOM 954 CB GLU A 79 9.546 -14.362 3.301 1.00 0.00 C ATOM 955 CG GLU A 79 9.837 -15.501 4.281 1.00 0.00 C ATOM 956 CD GLU A 79 10.827 -15.057 5.359 1.00 0.00 C ATOM 957 OE1 GLU A 79 11.413 -15.904 6.049 1.00 0.00 O ATOM 958 OE2 GLU A 79 10.979 -13.780 5.468 1.00 0.00 O ATOM 0 H GLU A 79 9.084 -13.183 1.157 1.00 0.00 H new ATOM 0 HA GLU A 79 8.418 -15.760 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.426 -14.173 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.341 -13.445 3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.909 -15.830 4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.242 -16.356 3.740 1.00 0.00 H new ATOM 966 N GLU A 80 6.508 -13.251 2.953 1.00 0.00 N ATOM 967 CA GLU A 80 5.255 -12.877 3.586 1.00 0.00 C ATOM 968 C GLU A 80 4.075 -13.499 2.835 1.00 0.00 C ATOM 969 O GLU A 80 2.982 -13.624 3.384 1.00 0.00 O ATOM 970 CB GLU A 80 5.113 -11.355 3.665 1.00 0.00 C ATOM 971 CG GLU A 80 5.608 -10.829 5.014 1.00 0.00 C ATOM 972 CD GLU A 80 4.933 -9.501 5.365 1.00 0.00 C ATOM 973 OE1 GLU A 80 3.772 -9.278 4.992 1.00 0.00 O ATOM 974 OE2 GLU A 80 5.659 -8.685 6.052 1.00 0.00 O ATOM 0 H GLU A 80 6.928 -12.522 2.376 1.00 0.00 H new ATOM 0 HA GLU A 80 5.256 -13.262 4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.681 -10.891 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.069 -11.075 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.402 -11.563 5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.689 -10.694 4.982 1.00 0.00 H new ATOM 982 N LEU A 81 4.337 -13.872 1.591 1.00 0.00 N ATOM 983 CA LEU A 81 3.311 -14.477 0.760 1.00 0.00 C ATOM 984 C LEU A 81 3.243 -15.977 1.052 1.00 0.00 C ATOM 985 O LEU A 81 2.487 -16.705 0.410 1.00 0.00 O ATOM 986 CB LEU A 81 3.553 -14.149 -0.715 1.00 0.00 C ATOM 987 CG LEU A 81 2.460 -13.335 -1.410 1.00 0.00 C ATOM 988 CD1 LEU A 81 1.353 -14.247 -1.944 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.910 -12.250 -0.481 1.00 0.00 C ATOM 0 H LEU A 81 5.245 -13.767 1.139 1.00 0.00 H new ATOM 0 HA LEU A 81 2.333 -14.060 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.492 -13.602 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.682 -15.085 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 81 2.904 -12.830 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.589 -13.643 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.775 -14.950 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.905 -14.798 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.135 -11.686 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.487 -12.714 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.716 -11.576 -0.191 1.00 0.00 H new ATOM 1001 N GLY A 82 4.043 -16.395 2.022 1.00 0.00 N ATOM 1002 CA GLY A 82 4.084 -17.796 2.408 1.00 0.00 C ATOM 1003 C GLY A 82 3.857 -18.704 1.198 1.00 0.00 C ATOM 1004 O GLY A 82 3.181 -19.727 1.303 1.00 0.00 O ATOM 0 H GLY A 82 4.668 -15.788 2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.048 -18.024 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.322 -17.992 3.162 1.00 0.00 H new ATOM 1008 N ALA A 83 4.435 -18.299 0.077 1.00 0.00 N ATOM 1009 CA ALA A 83 4.304 -19.064 -1.151 1.00 0.00 C ATOM 1010 C ALA A 83 5.099 -20.365 -1.024 1.00 0.00 C ATOM 1011 O ALA A 83 6.326 -20.358 -1.116 1.00 0.00 O ATOM 1012 CB ALA A 83 4.766 -18.212 -2.335 1.00 0.00 C ATOM 0 H ALA A 83 4.995 -17.451 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 83 3.262 -19.330 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.668 -18.786 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.151 -17.314 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.809 -17.928 -2.194 1.00 0.00 H new ATOM 1018 N GLU A 84 4.368 -21.449 -0.814 1.00 0.00 N ATOM 1019 CA GLU A 84 4.990 -22.755 -0.673 1.00 0.00 C ATOM 1020 C GLU A 84 4.507 -23.695 -1.780 1.00 0.00 C ATOM 1021 O GLU A 84 5.316 -24.310 -2.473 1.00 0.00 O ATOM 1022 CB GLU A 84 4.712 -23.348 0.710 1.00 0.00 C ATOM 1023 CG GLU A 84 3.222 -23.643 0.891 1.00 0.00 C ATOM 1024 CD GLU A 84 2.898 -23.949 2.355 1.00 0.00 C ATOM 1025 OE1 GLU A 84 1.803 -23.612 2.830 1.00 0.00 O ATOM 1026 OE2 GLU A 84 3.830 -24.560 3.004 1.00 0.00 O ATOM 0 H GLU A 84 3.351 -21.450 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 84 6.069 -22.635 -0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.286 -24.266 0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.045 -22.653 1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.635 -22.788 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.937 -24.490 0.267 1.00 0.00 H new ATOM 1034 N GLU A 85 3.192 -23.777 -1.911 1.00 0.00 N ATOM 1035 CA GLU A 85 2.592 -24.631 -2.921 1.00 0.00 C ATOM 1036 C GLU A 85 1.145 -24.960 -2.548 1.00 0.00 C ATOM 1037 O GLU A 85 0.810 -25.052 -1.368 1.00 0.00 O ATOM 1038 CB GLU A 85 3.411 -25.908 -3.116 1.00 0.00 C ATOM 1039 CG GLU A 85 3.734 -26.563 -1.771 1.00 0.00 C ATOM 1040 CD GLU A 85 2.616 -27.517 -1.344 1.00 0.00 C ATOM 1041 OE1 GLU A 85 2.005 -27.320 -0.283 1.00 0.00 O ATOM 1042 OE2 GLU A 85 2.390 -28.491 -2.158 1.00 0.00 O ATOM 0 H GLU A 85 2.524 -23.266 -1.334 1.00 0.00 H new ATOM 0 HA GLU A 85 2.589 -24.092 -3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.857 -26.608 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.336 -25.674 -3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.675 -27.109 -1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.871 -25.794 -1.011 1.00 0.00 H new ATOM 1050 N CYS A 86 0.325 -25.127 -3.575 1.00 0.00 N ATOM 1051 CA CYS A 86 -1.078 -25.443 -3.370 1.00 0.00 C ATOM 1052 C CYS A 86 -1.279 -26.935 -3.644 1.00 0.00 C ATOM 1053 O CYS A 86 -1.094 -27.393 -4.771 1.00 0.00 O ATOM 1054 CB CYS A 86 -1.987 -24.574 -4.242 1.00 0.00 C ATOM 1055 SG CYS A 86 -1.830 -25.069 -5.997 1.00 0.00 S ATOM 0 H CYS A 86 0.606 -25.049 -4.552 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.356 -25.223 -2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.023 -24.677 -3.918 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.720 -23.524 -4.126 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.560 -26.339 -6.067 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.656 -27.651 -2.596 1.00 0.00 N ATOM 1061 CA PHE A 87 -1.885 -29.081 -2.709 1.00 0.00 C ATOM 1062 C PHE A 87 -3.334 -29.375 -3.102 1.00 0.00 C ATOM 1063 O PHE A 87 -3.646 -30.471 -3.565 1.00 0.00 O ATOM 1064 CB PHE A 87 -1.608 -29.689 -1.333 1.00 0.00 C ATOM 1065 CG PHE A 87 -2.664 -29.350 -0.279 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -2.561 -28.201 0.441 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -3.706 -30.198 -0.063 1.00 0.00 C ATOM 1068 CE1 PHE A 87 -3.541 -27.887 1.420 1.00 0.00 C ATOM 1069 CE2 PHE A 87 -4.685 -29.883 0.915 1.00 0.00 C ATOM 1070 CZ PHE A 87 -4.583 -28.734 1.636 1.00 0.00 C ATOM 0 H PHE A 87 -1.809 -27.267 -1.663 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.236 -29.502 -3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -1.543 -30.773 -1.432 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.636 -29.342 -0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.734 -27.528 0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.788 -31.110 -0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.459 -26.975 1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.512 -30.556 1.087 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.329 -28.495 2.379 1.00 0.00 H new ATOM 1080 N SER A 88 -4.182 -28.377 -2.901 1.00 0.00 N ATOM 1081 CA SER A 88 -5.591 -28.515 -3.228 1.00 0.00 C ATOM 1082 C SER A 88 -5.751 -28.899 -4.701 1.00 0.00 C ATOM 1083 O SER A 88 -6.813 -29.366 -5.112 1.00 0.00 O ATOM 1084 CB SER A 88 -6.354 -27.223 -2.931 1.00 0.00 C ATOM 1085 OG SER A 88 -7.178 -26.826 -4.024 1.00 0.00 O ATOM 0 H SER A 88 -3.920 -27.469 -2.516 1.00 0.00 H new ATOM 0 HA SER A 88 -6.011 -29.305 -2.605 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.971 -27.362 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.645 -26.427 -2.704 1.00 0.00 H new ATOM 0 HG SER A 88 -6.626 -26.714 -4.826 1.00 0.00 H new ATOM 1091 N CYS A 89 -4.682 -28.689 -5.454 1.00 0.00 N ATOM 1092 CA CYS A 89 -4.691 -29.008 -6.872 1.00 0.00 C ATOM 1093 C CYS A 89 -5.002 -30.497 -7.027 1.00 0.00 C ATOM 1094 O CYS A 89 -5.404 -30.942 -8.101 1.00 0.00 O ATOM 1095 CB CYS A 89 -3.371 -28.627 -7.545 1.00 0.00 C ATOM 1096 SG CYS A 89 -3.620 -27.180 -8.637 1.00 0.00 S ATOM 0 H CYS A 89 -3.803 -28.302 -5.109 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.461 -28.423 -7.375 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.621 -28.397 -6.788 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.992 -29.469 -8.124 1.00 0.00 H new ATOM 0 HG CYS A 89 -3.133 -26.118 -8.068 1.00 0.00 H new