USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 30 CYS SG : rot 131:sc= -0.339 USER MOD Set 1.2: A 79 CYS SG : rot 113:sc= 1.95 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0567 X(o=-0.057,f=-0.2) USER MOD Single : A 18 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.1!) USER MOD Single : A 25 THR OG1 : rot 170:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 33 ASN : amide:sc= -3.61! C(o=-3.6!,f=-11!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -54:sc= 0.0589 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc=-0.00571 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.14! K(o=-2.1!,f=-1.2) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00255 USER MOD Single : A 61 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.549) USER MOD Single : A 62 CYS SG : rot 140:sc= -0.322 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -105:sc= -2.05! (180deg=-3.48!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.821 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.1 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -96:sc= -0.951! USER MOD Single : A 83 GLN : amide:sc= -0.0669 K(o=-0.067,f=-1.9!) USER MOD Single : A 86 THR OG1 : rot 149:sc= -0.527 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -159:sc= -0.0341 (180deg=-0.315) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -14.239 15.978 4.771 1.00 0.00 N ATOM 81 CA ALA A 9 -13.498 16.007 3.516 1.00 0.00 C ATOM 82 C ALA A 9 -14.035 14.968 2.537 1.00 0.00 C ATOM 83 O ALA A 9 -14.476 13.892 2.940 1.00 0.00 O ATOM 84 CB ALA A 9 -12.016 15.776 3.774 1.00 0.00 C ATOM 0 HA ALA A 9 -13.629 16.992 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.474 15.800 2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.635 16.558 4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.876 14.804 4.248 1.00 0.00 H new ATOM 90 N ARG A 10 -13.995 15.298 1.251 1.00 0.00 N ATOM 91 CA ARG A 10 -14.480 14.394 0.215 1.00 0.00 C ATOM 92 C ARG A 10 -13.368 14.054 -0.773 1.00 0.00 C ATOM 93 O ARG A 10 -12.561 14.910 -1.135 1.00 0.00 O ATOM 94 CB ARG A 10 -15.661 15.022 -0.528 1.00 0.00 C ATOM 95 CG ARG A 10 -15.278 16.220 -1.381 1.00 0.00 C ATOM 96 CD ARG A 10 -16.357 16.545 -2.402 1.00 0.00 C ATOM 97 NE ARG A 10 -16.329 17.950 -2.799 1.00 0.00 N ATOM 98 CZ ARG A 10 -16.728 18.944 -2.014 1.00 0.00 C ATOM 99 NH1 ARG A 10 -17.183 18.689 -0.795 1.00 0.00 N ATOM 100 NH2 ARG A 10 -16.672 20.197 -2.447 1.00 0.00 N ATOM 0 H ARG A 10 -13.632 16.185 0.901 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.810 13.474 0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.122 14.266 -1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.414 15.330 0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.110 17.085 -0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.339 16.017 -1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.224 15.917 -3.283 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.335 16.306 -1.985 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.984 18.181 -3.731 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.227 17.727 -0.458 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.489 19.455 -0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.322 20.398 -3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.979 20.960 -1.843 1.00 0.00 H new ATOM 114 N PHE A 11 -13.331 12.797 -1.205 1.00 0.00 N ATOM 115 CA PHE A 11 -12.318 12.343 -2.150 1.00 0.00 C ATOM 116 C PHE A 11 -12.601 12.878 -3.550 1.00 0.00 C ATOM 117 O PHE A 11 -13.344 12.269 -4.320 1.00 0.00 O ATOM 118 CB PHE A 11 -12.265 10.814 -2.177 1.00 0.00 C ATOM 119 CG PHE A 11 -11.633 10.214 -0.953 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.254 10.164 -0.823 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.418 9.701 0.067 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.671 9.612 0.302 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.840 9.149 1.195 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.464 9.105 1.312 1.00 0.00 C ATOM 0 H PHE A 11 -13.991 12.075 -0.915 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.352 12.728 -1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.278 10.425 -2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.709 10.493 -3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.628 10.561 -1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.494 9.733 -0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.595 9.577 0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.463 8.753 1.983 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.010 8.675 2.192 1.00 0.00 H new ATOM 134 N ILE A 12 -12.002 14.020 -3.873 1.00 0.00 N ATOM 135 CA ILE A 12 -12.189 14.637 -5.180 1.00 0.00 C ATOM 136 C ILE A 12 -11.713 13.713 -6.297 1.00 0.00 C ATOM 137 O ILE A 12 -12.247 13.739 -7.405 1.00 0.00 O ATOM 138 CB ILE A 12 -11.438 15.977 -5.283 1.00 0.00 C ATOM 139 CG1 ILE A 12 -9.941 15.768 -5.043 1.00 0.00 C ATOM 140 CG2 ILE A 12 -12.004 16.979 -4.287 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.101 16.982 -5.371 1.00 0.00 C ATOM 0 H ILE A 12 -11.383 14.536 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.258 14.820 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.574 16.376 -6.288 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.783 15.498 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.599 14.926 -5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.463 17.921 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.060 17.146 -4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.895 16.588 -3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.051 16.761 -5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.229 17.240 -6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.416 17.821 -4.751 1.00 0.00 H new ATOM 153 N GLU A 13 -10.707 12.898 -5.995 1.00 0.00 N ATOM 154 CA GLU A 13 -10.161 11.966 -6.974 1.00 0.00 C ATOM 155 C GLU A 13 -10.252 10.530 -6.468 1.00 0.00 C ATOM 156 O GLU A 13 -9.897 10.239 -5.325 1.00 0.00 O ATOM 157 CB GLU A 13 -8.704 12.316 -7.287 1.00 0.00 C ATOM 158 CG GLU A 13 -8.551 13.362 -8.379 1.00 0.00 C ATOM 159 CD GLU A 13 -8.504 14.775 -7.830 1.00 0.00 C ATOM 160 OE1 GLU A 13 -7.431 15.186 -7.343 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.541 15.469 -7.888 1.00 0.00 O ATOM 0 H GLU A 13 -10.254 12.864 -5.082 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.752 12.050 -7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.223 12.678 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.178 11.410 -7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.639 13.164 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.382 13.275 -9.079 1.00 0.00 H new ATOM 168 N ASP A 14 -10.732 9.636 -7.325 1.00 0.00 N ATOM 169 CA ASP A 14 -10.871 8.229 -6.966 1.00 0.00 C ATOM 170 C ASP A 14 -9.734 7.403 -7.559 1.00 0.00 C ATOM 171 O ASP A 14 -9.465 7.467 -8.758 1.00 0.00 O ATOM 172 CB ASP A 14 -12.217 7.688 -7.449 1.00 0.00 C ATOM 173 CG ASP A 14 -13.357 8.651 -7.184 1.00 0.00 C ATOM 174 OD1 ASP A 14 -13.268 9.422 -6.205 1.00 0.00 O ATOM 175 OD2 ASP A 14 -14.339 8.634 -7.955 1.00 0.00 O ATOM 0 H ASP A 14 -11.032 9.860 -8.274 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.826 8.150 -5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.160 7.482 -8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.423 6.740 -6.953 1.00 0.00 H new ATOM 180 N VAL A 15 -9.068 6.626 -6.709 1.00 0.00 N ATOM 181 CA VAL A 15 -7.960 5.787 -7.148 1.00 0.00 C ATOM 182 C VAL A 15 -8.370 4.904 -8.321 1.00 0.00 C ATOM 183 O VAL A 15 -9.548 4.823 -8.669 1.00 0.00 O ATOM 184 CB VAL A 15 -7.444 4.894 -6.004 1.00 0.00 C ATOM 185 CG1 VAL A 15 -7.020 5.742 -4.814 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.507 3.884 -5.597 1.00 0.00 C ATOM 0 H VAL A 15 -9.277 6.561 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.161 6.458 -7.464 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.571 4.346 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.658 5.094 -4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.224 6.423 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.873 6.318 -4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.126 3.261 -4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.400 4.411 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.758 3.255 -6.451 1.00 0.00 H new ATOM 196 N LYS A 16 -7.390 4.243 -8.928 1.00 0.00 N ATOM 197 CA LYS A 16 -7.648 3.363 -10.062 1.00 0.00 C ATOM 198 C LYS A 16 -7.408 1.905 -9.685 1.00 0.00 C ATOM 199 O LYS A 16 -7.061 1.598 -8.546 1.00 0.00 O ATOM 200 CB LYS A 16 -6.757 3.749 -11.246 1.00 0.00 C ATOM 201 CG LYS A 16 -6.579 5.248 -11.409 1.00 0.00 C ATOM 202 CD LYS A 16 -5.372 5.754 -10.636 1.00 0.00 C ATOM 203 CE LYS A 16 -5.582 7.178 -10.144 1.00 0.00 C ATOM 204 NZ LYS A 16 -4.455 7.640 -9.287 1.00 0.00 N ATOM 0 H LYS A 16 -6.409 4.300 -8.653 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.693 3.478 -10.349 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.778 3.287 -11.119 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.186 3.341 -12.161 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.462 5.489 -12.466 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.476 5.762 -11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.182 5.099 -9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.488 5.715 -11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.686 7.846 -10.999 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.513 7.234 -9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.635 8.615 -8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.372 7.018 -8.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.570 7.611 -9.832 1.00 0.00 H new ATOM 218 N ASN A 17 -7.593 1.011 -10.651 1.00 0.00 N ATOM 219 CA ASN A 17 -7.395 -0.416 -10.420 1.00 0.00 C ATOM 220 C ASN A 17 -5.930 -0.720 -10.122 1.00 0.00 C ATOM 221 O ASN A 17 -5.030 -0.134 -10.723 1.00 0.00 O ATOM 222 CB ASN A 17 -7.858 -1.220 -11.636 1.00 0.00 C ATOM 223 CG ASN A 17 -6.821 -1.245 -12.742 1.00 0.00 C ATOM 224 OD1 ASN A 17 -5.986 -2.148 -12.804 1.00 0.00 O ATOM 225 ND2 ASN A 17 -6.868 -0.251 -13.621 1.00 0.00 N ATOM 0 H ASN A 17 -7.880 1.249 -11.601 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.991 -0.705 -9.554 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.082 -2.242 -11.329 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.784 -0.792 -12.020 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.195 -0.215 -14.386 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.577 0.476 -13.531 1.00 0.00 H new ATOM 232 N GLN A 18 -5.700 -1.642 -9.193 1.00 0.00 N ATOM 233 CA GLN A 18 -4.344 -2.025 -8.816 1.00 0.00 C ATOM 234 C GLN A 18 -3.963 -3.363 -9.440 1.00 0.00 C ATOM 235 O GLN A 18 -4.733 -4.322 -9.392 1.00 0.00 O ATOM 236 CB GLN A 18 -4.218 -2.103 -7.294 1.00 0.00 C ATOM 237 CG GLN A 18 -2.810 -1.839 -6.786 1.00 0.00 C ATOM 238 CD GLN A 18 -2.253 -0.515 -7.269 1.00 0.00 C ATOM 239 OE1 GLN A 18 -1.054 -0.386 -7.519 1.00 0.00 O ATOM 240 NE2 GLN A 18 -3.123 0.479 -7.405 1.00 0.00 N ATOM 0 H GLN A 18 -6.434 -2.138 -8.688 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.661 -1.263 -9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.899 -1.381 -6.844 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.536 -3.091 -6.962 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.813 -1.851 -5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.153 -2.646 -7.112 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.108 0.328 -7.187 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.806 1.393 -7.728 1.00 0.00 H new ATOM 249 N GLU A 19 -2.770 -3.421 -10.024 1.00 0.00 N ATOM 250 CA GLU A 19 -2.289 -4.642 -10.658 1.00 0.00 C ATOM 251 C GLU A 19 -0.776 -4.775 -10.504 1.00 0.00 C ATOM 252 O GLU A 19 -0.024 -3.866 -10.852 1.00 0.00 O ATOM 253 CB GLU A 19 -2.665 -4.656 -12.141 1.00 0.00 C ATOM 254 CG GLU A 19 -2.600 -6.037 -12.772 1.00 0.00 C ATOM 255 CD GLU A 19 -3.027 -6.033 -14.227 1.00 0.00 C ATOM 256 OE1 GLU A 19 -2.362 -5.356 -15.039 1.00 0.00 O ATOM 257 OE2 GLU A 19 -4.026 -6.708 -14.554 1.00 0.00 O ATOM 0 H GLU A 19 -2.120 -2.637 -10.071 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.763 -5.489 -10.163 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.674 -4.261 -12.255 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.997 -3.986 -12.683 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.582 -6.419 -12.697 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.239 -6.719 -12.211 1.00 0.00 H new ATOM 264 N ALA A 20 -0.339 -5.916 -9.980 1.00 0.00 N ATOM 265 CA ALA A 20 1.082 -6.169 -9.781 1.00 0.00 C ATOM 266 C ALA A 20 1.359 -7.662 -9.637 1.00 0.00 C ATOM 267 O ALA A 20 0.629 -8.375 -8.949 1.00 0.00 O ATOM 268 CB ALA A 20 1.587 -5.417 -8.558 1.00 0.00 C ATOM 0 H ALA A 20 -0.949 -6.679 -9.686 1.00 0.00 H new ATOM 0 HA ALA A 20 1.616 -5.810 -10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.650 -5.616 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.433 -4.347 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.040 -5.749 -7.675 1.00 0.00 H new ATOM 274 N ARG A 21 2.417 -8.129 -10.292 1.00 0.00 N ATOM 275 CA ARG A 21 2.788 -9.537 -10.239 1.00 0.00 C ATOM 276 C ARG A 21 3.209 -9.936 -8.828 1.00 0.00 C ATOM 277 O ARG A 21 3.825 -9.150 -8.109 1.00 0.00 O ATOM 278 CB ARG A 21 3.925 -9.825 -11.222 1.00 0.00 C ATOM 279 CG ARG A 21 3.487 -9.825 -12.677 1.00 0.00 C ATOM 280 CD ARG A 21 4.317 -10.791 -13.508 1.00 0.00 C ATOM 281 NE ARG A 21 4.442 -10.352 -14.895 1.00 0.00 N ATOM 282 CZ ARG A 21 4.736 -11.169 -15.901 1.00 0.00 C ATOM 283 NH1 ARG A 21 4.933 -12.460 -15.675 1.00 0.00 N ATOM 284 NH2 ARG A 21 4.832 -10.694 -17.136 1.00 0.00 N ATOM 0 H ARG A 21 3.032 -7.552 -10.866 1.00 0.00 H new ATOM 0 HA ARG A 21 1.915 -10.127 -10.520 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.708 -9.079 -11.087 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.363 -10.794 -10.983 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.434 -10.100 -12.741 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.579 -8.819 -13.086 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.309 -10.888 -13.068 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.858 -11.779 -13.481 1.00 0.00 H new ATOM 0 HE ARG A 21 4.296 -9.364 -15.103 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.859 -12.829 -14.727 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.159 -13.085 -16.449 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.680 -9.701 -17.314 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.058 -11.322 -17.908 1.00 0.00 H new ATOM 298 N GLU A 22 2.870 -11.161 -8.438 1.00 0.00 N ATOM 299 CA GLU A 22 3.211 -11.662 -7.112 1.00 0.00 C ATOM 300 C GLU A 22 4.617 -11.226 -6.711 1.00 0.00 C ATOM 301 O GLU A 22 5.491 -11.053 -7.559 1.00 0.00 O ATOM 302 CB GLU A 22 3.110 -13.189 -7.078 1.00 0.00 C ATOM 303 CG GLU A 22 1.739 -13.699 -6.670 1.00 0.00 C ATOM 304 CD GLU A 22 1.704 -15.205 -6.499 1.00 0.00 C ATOM 305 OE1 GLU A 22 2.644 -15.754 -5.887 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.737 -15.835 -6.977 1.00 0.00 O ATOM 0 H GLU A 22 2.360 -11.824 -9.021 1.00 0.00 H new ATOM 0 HA GLU A 22 2.501 -11.242 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.356 -13.583 -8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.855 -13.579 -6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.442 -13.224 -5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.007 -13.405 -7.423 1.00 0.00 H new ATOM 313 N GLY A 23 4.827 -11.048 -5.410 1.00 0.00 N ATOM 314 CA GLY A 23 6.127 -10.632 -4.918 1.00 0.00 C ATOM 315 C GLY A 23 6.417 -9.173 -5.208 1.00 0.00 C ATOM 316 O GLY A 23 7.576 -8.761 -5.254 1.00 0.00 O ATOM 0 H GLY A 23 4.120 -11.185 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.176 -10.802 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.900 -11.251 -5.375 1.00 0.00 H new ATOM 320 N ALA A 24 5.363 -8.390 -5.406 1.00 0.00 N ATOM 321 CA ALA A 24 5.510 -6.968 -5.693 1.00 0.00 C ATOM 322 C ALA A 24 4.851 -6.119 -4.612 1.00 0.00 C ATOM 323 O ALA A 24 4.365 -6.640 -3.608 1.00 0.00 O ATOM 324 CB ALA A 24 4.920 -6.641 -7.057 1.00 0.00 C ATOM 0 H ALA A 24 4.397 -8.716 -5.373 1.00 0.00 H new ATOM 0 HA ALA A 24 6.574 -6.733 -5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.037 -5.576 -7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.439 -7.214 -7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.861 -6.898 -7.066 1.00 0.00 H new ATOM 330 N THR A 25 4.837 -4.806 -4.823 1.00 0.00 N ATOM 331 CA THR A 25 4.240 -3.884 -3.866 1.00 0.00 C ATOM 332 C THR A 25 3.237 -2.959 -4.546 1.00 0.00 C ATOM 333 O THR A 25 3.617 -2.058 -5.293 1.00 0.00 O ATOM 334 CB THR A 25 5.312 -3.031 -3.162 1.00 0.00 C ATOM 335 OG1 THR A 25 6.295 -3.880 -2.559 1.00 0.00 O ATOM 336 CG2 THR A 25 4.685 -2.140 -2.102 1.00 0.00 C ATOM 0 H THR A 25 5.233 -4.358 -5.649 1.00 0.00 H new ATOM 0 HA THR A 25 3.724 -4.492 -3.122 1.00 0.00 H new ATOM 0 HB THR A 25 5.789 -2.397 -3.910 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.053 -3.338 -2.255 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.462 -1.547 -1.619 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.959 -1.475 -2.569 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.184 -2.758 -1.357 1.00 0.00 H new ATOM 344 N ALA A 26 1.955 -3.187 -4.282 1.00 0.00 N ATOM 345 CA ALA A 26 0.897 -2.372 -4.867 1.00 0.00 C ATOM 346 C ALA A 26 1.033 -0.912 -4.446 1.00 0.00 C ATOM 347 O ALA A 26 1.665 -0.603 -3.436 1.00 0.00 O ATOM 348 CB ALA A 26 -0.468 -2.913 -4.470 1.00 0.00 C ATOM 0 H ALA A 26 1.623 -3.930 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 26 0.993 -2.421 -5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.248 -2.294 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.571 -3.938 -4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.565 -2.895 -3.384 1.00 0.00 H new ATOM 354 N VAL A 27 0.436 -0.018 -5.228 1.00 0.00 N ATOM 355 CA VAL A 27 0.490 1.410 -4.935 1.00 0.00 C ATOM 356 C VAL A 27 -0.850 2.080 -5.220 1.00 0.00 C ATOM 357 O VAL A 27 -1.313 2.107 -6.361 1.00 0.00 O ATOM 358 CB VAL A 27 1.587 2.110 -5.759 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.779 3.542 -5.283 1.00 0.00 C ATOM 360 CG2 VAL A 27 2.892 1.333 -5.677 1.00 0.00 C ATOM 0 H VAL A 27 -0.090 -0.257 -6.069 1.00 0.00 H new ATOM 0 HA VAL A 27 0.724 1.508 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 27 1.272 2.138 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.558 4.021 -5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.845 4.092 -5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.072 3.540 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.656 1.842 -6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.215 1.272 -4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.742 0.327 -6.070 1.00 0.00 H new ATOM 370 N LEU A 28 -1.468 2.621 -4.176 1.00 0.00 N ATOM 371 CA LEU A 28 -2.755 3.293 -4.313 1.00 0.00 C ATOM 372 C LEU A 28 -2.636 4.774 -3.968 1.00 0.00 C ATOM 373 O LEU A 28 -2.279 5.132 -2.846 1.00 0.00 O ATOM 374 CB LEU A 28 -3.797 2.630 -3.410 1.00 0.00 C ATOM 375 CG LEU A 28 -4.297 1.256 -3.858 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.718 0.423 -2.658 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.451 1.402 -4.839 1.00 0.00 C ATOM 0 H LEU A 28 -1.099 2.607 -3.225 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.074 3.205 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.373 2.532 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.655 3.298 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.480 0.741 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.071 -0.551 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.866 0.289 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.519 0.933 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.794 0.414 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.271 1.937 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.116 1.959 -5.714 1.00 0.00 H new ATOM 389 N GLN A 29 -2.939 5.628 -4.940 1.00 0.00 N ATOM 390 CA GLN A 29 -2.867 7.071 -4.738 1.00 0.00 C ATOM 391 C GLN A 29 -4.238 7.715 -4.918 1.00 0.00 C ATOM 392 O GLN A 29 -5.013 7.315 -5.788 1.00 0.00 O ATOM 393 CB GLN A 29 -1.866 7.694 -5.712 1.00 0.00 C ATOM 394 CG GLN A 29 -0.441 7.201 -5.518 1.00 0.00 C ATOM 395 CD GLN A 29 0.519 7.772 -6.544 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.191 8.722 -7.256 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.712 7.195 -6.625 1.00 0.00 N ATOM 0 H GLN A 29 -3.236 5.347 -5.874 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.531 7.253 -3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.181 7.476 -6.733 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.886 8.778 -5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.100 7.470 -4.518 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.426 6.113 -5.578 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.941 6.410 -6.015 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.399 7.537 -7.297 1.00 0.00 H new ATOM 406 N CYS A 30 -4.530 8.712 -4.090 1.00 0.00 N ATOM 407 CA CYS A 30 -5.809 9.410 -4.157 1.00 0.00 C ATOM 408 C CYS A 30 -5.655 10.867 -3.730 1.00 0.00 C ATOM 409 O CYS A 30 -4.609 11.267 -3.222 1.00 0.00 O ATOM 410 CB CYS A 30 -6.842 8.713 -3.271 1.00 0.00 C ATOM 411 SG CYS A 30 -6.816 9.250 -1.544 1.00 0.00 S ATOM 0 H CYS A 30 -3.899 9.055 -3.365 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.154 9.387 -5.191 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.836 8.892 -3.681 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.670 7.637 -3.308 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.026 9.525 -1.157 1.00 0.00 H new ATOM 417 N GLU A 31 -6.705 11.654 -3.943 1.00 0.00 N ATOM 418 CA GLU A 31 -6.685 13.067 -3.582 1.00 0.00 C ATOM 419 C GLU A 31 -7.873 13.418 -2.690 1.00 0.00 C ATOM 420 O GLU A 31 -8.873 12.700 -2.658 1.00 0.00 O ATOM 421 CB GLU A 31 -6.704 13.938 -4.840 1.00 0.00 C ATOM 422 CG GLU A 31 -5.985 15.266 -4.672 1.00 0.00 C ATOM 423 CD GLU A 31 -4.528 15.197 -5.086 1.00 0.00 C ATOM 424 OE1 GLU A 31 -4.164 14.258 -5.824 1.00 0.00 O ATOM 425 OE2 GLU A 31 -3.752 16.085 -4.673 1.00 0.00 O ATOM 0 H GLU A 31 -7.579 11.338 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.767 13.261 -3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.244 13.387 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.739 14.128 -5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.492 16.027 -5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.048 15.580 -3.630 1.00 0.00 H new ATOM 432 N LEU A 32 -7.754 14.525 -1.967 1.00 0.00 N ATOM 433 CA LEU A 32 -8.817 14.972 -1.073 1.00 0.00 C ATOM 434 C LEU A 32 -9.177 16.430 -1.341 1.00 0.00 C ATOM 435 O LEU A 32 -8.317 17.238 -1.691 1.00 0.00 O ATOM 436 CB LEU A 32 -8.389 14.801 0.386 1.00 0.00 C ATOM 437 CG LEU A 32 -8.374 13.367 0.917 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.482 13.262 2.144 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.786 12.903 1.239 1.00 0.00 C ATOM 0 H LEU A 32 -6.933 15.130 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.698 14.359 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.390 15.221 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.058 15.392 1.012 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.968 12.717 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.484 12.235 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.465 13.552 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.857 13.924 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.756 11.881 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.220 13.556 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.396 12.939 0.336 1.00 0.00 H new ATOM 451 N ASN A 33 -10.453 16.760 -1.173 1.00 0.00 N ATOM 452 CA ASN A 33 -10.927 18.121 -1.395 1.00 0.00 C ATOM 453 C ASN A 33 -10.295 19.087 -0.397 1.00 0.00 C ATOM 454 O ASN A 33 -10.336 20.303 -0.583 1.00 0.00 O ATOM 455 CB ASN A 33 -12.452 18.178 -1.282 1.00 0.00 C ATOM 456 CG ASN A 33 -12.927 18.135 0.157 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.272 17.552 1.022 1.00 0.00 O ATOM 458 ND2 ASN A 33 -14.072 18.754 0.421 1.00 0.00 N ATOM 0 H ASN A 33 -11.178 16.103 -0.884 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.633 18.422 -2.401 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.815 19.091 -1.754 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.886 17.342 -1.830 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.442 18.759 1.372 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.582 19.224 -0.327 1.00 0.00 H new ATOM 465 N SER A 34 -9.712 18.536 0.663 1.00 0.00 N ATOM 466 CA SER A 34 -9.075 19.348 1.693 1.00 0.00 C ATOM 467 C SER A 34 -8.137 18.502 2.549 1.00 0.00 C ATOM 468 O SER A 34 -8.363 17.308 2.741 1.00 0.00 O ATOM 469 CB SER A 34 -10.133 20.010 2.577 1.00 0.00 C ATOM 470 OG SER A 34 -9.562 21.029 3.380 1.00 0.00 O ATOM 0 H SER A 34 -9.668 17.531 0.831 1.00 0.00 H new ATOM 0 HA SER A 34 -8.488 20.123 1.199 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.920 20.433 1.953 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.600 19.259 3.214 1.00 0.00 H new ATOM 0 HG SER A 34 -10.259 21.438 3.934 1.00 0.00 H new ATOM 476 N ALA A 35 -7.083 19.131 3.059 1.00 0.00 N ATOM 477 CA ALA A 35 -6.112 18.438 3.896 1.00 0.00 C ATOM 478 C ALA A 35 -6.802 17.678 5.024 1.00 0.00 C ATOM 479 O ALA A 35 -7.303 18.279 5.974 1.00 0.00 O ATOM 480 CB ALA A 35 -5.103 19.426 4.463 1.00 0.00 C ATOM 0 H ALA A 35 -6.880 20.119 2.907 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.585 17.714 3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.384 18.894 5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.579 19.920 3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.623 20.172 5.064 1.00 0.00 H new ATOM 486 N ALA A 36 -6.824 16.354 4.913 1.00 0.00 N ATOM 487 CA ALA A 36 -7.451 15.513 5.924 1.00 0.00 C ATOM 488 C ALA A 36 -6.865 14.105 5.907 1.00 0.00 C ATOM 489 O ALA A 36 -6.374 13.623 4.887 1.00 0.00 O ATOM 490 CB ALA A 36 -8.956 15.462 5.709 1.00 0.00 C ATOM 0 H ALA A 36 -6.414 15.841 4.132 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.249 15.951 6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.411 14.830 6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.368 16.469 5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.169 15.050 4.722 1.00 0.00 H new ATOM 496 N PRO A 37 -6.916 13.428 7.064 1.00 0.00 N ATOM 497 CA PRO A 37 -6.394 12.066 7.208 1.00 0.00 C ATOM 498 C PRO A 37 -7.237 11.040 6.458 1.00 0.00 C ATOM 499 O PRO A 37 -8.271 11.375 5.879 1.00 0.00 O ATOM 500 CB PRO A 37 -6.466 11.816 8.717 1.00 0.00 C ATOM 501 CG PRO A 37 -7.545 12.722 9.200 1.00 0.00 C ATOM 502 CD PRO A 37 -7.487 13.941 8.321 1.00 0.00 C ATOM 0 HA PRO A 37 -5.391 11.968 6.793 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.697 10.773 8.935 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.515 12.039 9.201 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.520 12.239 9.133 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.392 12.988 10.246 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.476 14.373 8.167 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.863 14.721 8.757 1.00 0.00 H new ATOM 510 N VAL A 38 -6.789 9.789 6.471 1.00 0.00 N ATOM 511 CA VAL A 38 -7.503 8.713 5.793 1.00 0.00 C ATOM 512 C VAL A 38 -7.254 7.373 6.475 1.00 0.00 C ATOM 513 O VAL A 38 -6.350 7.244 7.299 1.00 0.00 O ATOM 514 CB VAL A 38 -7.087 8.609 4.314 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.440 9.888 3.569 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.601 8.308 4.198 1.00 0.00 C ATOM 0 H VAL A 38 -5.934 9.495 6.944 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.565 8.953 5.848 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.637 7.787 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.139 9.796 2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.516 10.055 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.919 10.730 4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.325 8.238 3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.030 9.107 4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.381 7.363 4.694 1.00 0.00 H new ATOM 526 N GLU A 39 -8.063 6.378 6.125 1.00 0.00 N ATOM 527 CA GLU A 39 -7.930 5.046 6.704 1.00 0.00 C ATOM 528 C GLU A 39 -8.020 3.972 5.624 1.00 0.00 C ATOM 529 O GLU A 39 -9.109 3.511 5.282 1.00 0.00 O ATOM 530 CB GLU A 39 -9.012 4.815 7.761 1.00 0.00 C ATOM 531 CG GLU A 39 -8.793 3.563 8.593 1.00 0.00 C ATOM 532 CD GLU A 39 -9.362 3.685 9.993 1.00 0.00 C ATOM 533 OE1 GLU A 39 -10.600 3.780 10.124 1.00 0.00 O ATOM 534 OE2 GLU A 39 -8.569 3.686 10.957 1.00 0.00 O ATOM 0 H GLU A 39 -8.817 6.469 5.444 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.950 4.979 7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.051 5.679 8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.982 4.748 7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.254 2.712 8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.725 3.356 8.656 1.00 0.00 H new ATOM 541 N TRP A 40 -6.868 3.578 5.093 1.00 0.00 N ATOM 542 CA TRP A 40 -6.816 2.558 4.051 1.00 0.00 C ATOM 543 C TRP A 40 -7.391 1.238 4.553 1.00 0.00 C ATOM 544 O TRP A 40 -6.821 0.598 5.437 1.00 0.00 O ATOM 545 CB TRP A 40 -5.375 2.355 3.580 1.00 0.00 C ATOM 546 CG TRP A 40 -4.805 3.551 2.879 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.004 4.514 3.423 1.00 0.00 C ATOM 548 CD2 TRP A 40 -4.994 3.911 1.507 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.683 5.451 2.471 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.277 5.104 1.287 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.696 3.341 0.442 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.246 5.735 0.046 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.665 3.969 -0.789 1.00 0.00 C ATOM 554 CH2 TRP A 40 -4.943 5.155 -0.979 1.00 0.00 C ATOM 0 H TRP A 40 -5.958 3.949 5.366 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.421 2.900 3.211 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.750 2.115 4.440 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.337 1.497 2.909 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.672 4.536 4.450 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.097 6.272 2.622 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.253 2.426 0.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.691 6.650 -0.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.206 3.538 -1.618 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.937 5.620 -1.954 1.00 0.00 H new ATOM 565 N ARG A 41 -8.523 0.837 3.983 1.00 0.00 N ATOM 566 CA ARG A 41 -9.175 -0.407 4.374 1.00 0.00 C ATOM 567 C ARG A 41 -8.900 -1.509 3.355 1.00 0.00 C ATOM 568 O ARG A 41 -8.170 -1.304 2.385 1.00 0.00 O ATOM 569 CB ARG A 41 -10.683 -0.194 4.517 1.00 0.00 C ATOM 570 CG ARG A 41 -11.053 0.899 5.506 1.00 0.00 C ATOM 571 CD ARG A 41 -12.555 1.135 5.540 1.00 0.00 C ATOM 572 NE ARG A 41 -12.974 1.825 6.757 1.00 0.00 N ATOM 573 CZ ARG A 41 -13.265 1.201 7.893 1.00 0.00 C ATOM 574 NH1 ARG A 41 -13.183 -0.120 7.967 1.00 0.00 N ATOM 575 NH2 ARG A 41 -13.638 1.899 8.958 1.00 0.00 N ATOM 0 H ARG A 41 -9.007 1.355 3.250 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.766 -0.716 5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.100 0.054 3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.145 -1.129 4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.704 0.624 6.501 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.544 1.824 5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.849 1.723 4.671 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.074 0.179 5.469 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.047 2.842 6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.896 -0.660 7.150 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.407 -0.597 8.840 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.702 2.916 8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.861 1.419 9.830 1.00 0.00 H new ATOM 589 N LYS A 42 -9.490 -2.678 3.581 1.00 0.00 N ATOM 590 CA LYS A 42 -9.311 -3.812 2.683 1.00 0.00 C ATOM 591 C LYS A 42 -10.284 -4.936 3.025 1.00 0.00 C ATOM 592 O LYS A 42 -10.498 -5.251 4.195 1.00 0.00 O ATOM 593 CB LYS A 42 -7.872 -4.328 2.761 1.00 0.00 C ATOM 594 CG LYS A 42 -7.554 -5.401 1.734 1.00 0.00 C ATOM 595 CD LYS A 42 -6.497 -6.366 2.245 1.00 0.00 C ATOM 596 CE LYS A 42 -6.551 -7.694 1.505 1.00 0.00 C ATOM 597 NZ LYS A 42 -5.738 -8.740 2.185 1.00 0.00 N ATOM 0 H LYS A 42 -10.097 -2.865 4.379 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.516 -3.475 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.187 -3.491 2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.692 -4.727 3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.462 -5.951 1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.206 -4.933 0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.509 -5.922 2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.643 -6.536 3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.586 -8.028 1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.189 -7.557 0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.800 -9.630 1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.746 -8.433 2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.100 -8.889 3.149 1.00 0.00 H new ATOM 611 N GLY A 43 -10.871 -5.538 1.995 1.00 0.00 N ATOM 612 CA GLY A 43 -11.814 -6.621 2.208 1.00 0.00 C ATOM 613 C GLY A 43 -12.639 -6.433 3.465 1.00 0.00 C ATOM 614 O GLY A 43 -12.899 -7.389 4.194 1.00 0.00 O ATOM 0 H GLY A 43 -10.711 -5.295 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.480 -6.693 1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.271 -7.564 2.271 1.00 0.00 H new ATOM 618 N SER A 44 -13.051 -5.195 3.720 1.00 0.00 N ATOM 619 CA SER A 44 -13.848 -4.883 4.902 1.00 0.00 C ATOM 620 C SER A 44 -12.986 -4.910 6.160 1.00 0.00 C ATOM 621 O SER A 44 -13.399 -5.429 7.196 1.00 0.00 O ATOM 622 CB SER A 44 -15.003 -5.876 5.040 1.00 0.00 C ATOM 623 OG SER A 44 -16.006 -5.373 5.906 1.00 0.00 O ATOM 0 H SER A 44 -12.847 -4.392 3.125 1.00 0.00 H new ATOM 0 HA SER A 44 -14.254 -3.879 4.782 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.433 -6.078 4.059 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.628 -6.824 5.425 1.00 0.00 H new ATOM 0 HG SER A 44 -15.604 -5.132 6.767 1.00 0.00 H new ATOM 629 N GLU A 45 -11.786 -4.346 6.061 1.00 0.00 N ATOM 630 CA GLU A 45 -10.865 -4.305 7.191 1.00 0.00 C ATOM 631 C GLU A 45 -10.071 -3.002 7.199 1.00 0.00 C ATOM 632 O GLU A 45 -9.892 -2.364 6.161 1.00 0.00 O ATOM 633 CB GLU A 45 -9.909 -5.498 7.140 1.00 0.00 C ATOM 634 CG GLU A 45 -8.581 -5.186 6.471 1.00 0.00 C ATOM 635 CD GLU A 45 -7.656 -6.387 6.420 1.00 0.00 C ATOM 636 OE1 GLU A 45 -7.127 -6.773 7.484 1.00 0.00 O ATOM 637 OE2 GLU A 45 -7.462 -6.941 5.318 1.00 0.00 O ATOM 0 H GLU A 45 -11.429 -3.911 5.210 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.452 -4.357 8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.722 -5.846 8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.391 -6.317 6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.764 -4.830 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.089 -4.376 7.009 1.00 0.00 H new ATOM 644 N THR A 46 -9.597 -2.613 8.378 1.00 0.00 N ATOM 645 CA THR A 46 -8.823 -1.386 8.524 1.00 0.00 C ATOM 646 C THR A 46 -7.329 -1.681 8.575 1.00 0.00 C ATOM 647 O THR A 46 -6.878 -2.522 9.354 1.00 0.00 O ATOM 648 CB THR A 46 -9.226 -0.615 9.794 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.608 -0.244 9.725 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.370 0.630 9.967 1.00 0.00 C ATOM 0 H THR A 46 -9.735 -3.130 9.246 1.00 0.00 H new ATOM 0 HA THR A 46 -9.039 -0.771 7.651 1.00 0.00 H new ATOM 0 HB THR A 46 -9.068 -1.267 10.653 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.857 0.244 10.537 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.674 1.158 10.871 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.322 0.342 10.050 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.500 1.284 9.104 1.00 0.00 H new ATOM 658 N LEU A 47 -6.564 -0.986 7.741 1.00 0.00 N ATOM 659 CA LEU A 47 -5.118 -1.173 7.692 1.00 0.00 C ATOM 660 C LEU A 47 -4.397 -0.032 8.403 1.00 0.00 C ATOM 661 O LEU A 47 -5.005 0.982 8.746 1.00 0.00 O ATOM 662 CB LEU A 47 -4.645 -1.264 6.240 1.00 0.00 C ATOM 663 CG LEU A 47 -5.541 -2.059 5.291 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.242 -1.696 3.844 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.361 -3.554 5.515 1.00 0.00 C ATOM 0 H LEU A 47 -6.921 -0.287 7.089 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.879 -2.105 8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.542 -0.252 5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.651 -1.712 6.230 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.579 -1.802 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.890 -2.272 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.422 -0.632 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.200 -1.924 3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.007 -4.105 4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.322 -3.827 5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.626 -3.802 6.543 1.00 0.00 H new ATOM 677 N ARG A 48 -3.097 -0.205 8.621 1.00 0.00 N ATOM 678 CA ARG A 48 -2.293 0.810 9.290 1.00 0.00 C ATOM 679 C ARG A 48 -0.855 0.788 8.780 1.00 0.00 C ATOM 680 O ARG A 48 -0.322 -0.269 8.441 1.00 0.00 O ATOM 681 CB ARG A 48 -2.312 0.589 10.804 1.00 0.00 C ATOM 682 CG ARG A 48 -3.706 0.631 11.408 1.00 0.00 C ATOM 683 CD ARG A 48 -4.187 2.061 11.601 1.00 0.00 C ATOM 684 NE ARG A 48 -3.742 2.621 12.874 1.00 0.00 N ATOM 685 CZ ARG A 48 -3.833 3.910 13.181 1.00 0.00 C ATOM 686 NH1 ARG A 48 -4.349 4.768 12.312 1.00 0.00 N ATOM 687 NH2 ARG A 48 -3.406 4.344 14.361 1.00 0.00 N ATOM 0 H ARG A 48 -2.579 -1.039 8.344 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.725 1.786 9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.857 -0.376 11.028 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.695 1.350 11.282 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.401 0.097 10.760 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.704 0.114 12.368 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.818 2.681 10.784 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.276 2.087 11.555 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.339 1.988 13.565 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.678 4.439 11.404 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.417 5.757 12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.008 3.687 15.032 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.476 5.334 14.596 1.00 0.00 H new ATOM 701 N ASP A 49 -0.233 1.960 8.728 1.00 0.00 N ATOM 702 CA ASP A 49 1.143 2.076 8.260 1.00 0.00 C ATOM 703 C ASP A 49 2.092 1.294 9.163 1.00 0.00 C ATOM 704 O ASP A 49 1.991 1.355 10.388 1.00 0.00 O ATOM 705 CB ASP A 49 1.565 3.545 8.208 1.00 0.00 C ATOM 706 CG ASP A 49 2.007 4.070 9.560 1.00 0.00 C ATOM 707 OD1 ASP A 49 1.134 4.493 10.346 1.00 0.00 O ATOM 708 OD2 ASP A 49 3.225 4.056 9.832 1.00 0.00 O ATOM 0 H ASP A 49 -0.660 2.844 9.004 1.00 0.00 H new ATOM 0 HA ASP A 49 1.195 1.655 7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.379 3.661 7.493 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.732 4.146 7.843 1.00 0.00 H new ATOM 713 N GLY A 50 3.013 0.558 8.549 1.00 0.00 N ATOM 714 CA GLY A 50 3.966 -0.227 9.313 1.00 0.00 C ATOM 715 C GLY A 50 5.085 -0.779 8.452 1.00 0.00 C ATOM 716 O GLY A 50 5.719 -0.041 7.699 1.00 0.00 O ATOM 0 H GLY A 50 3.117 0.491 7.536 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.391 0.392 10.103 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.445 -1.052 9.800 1.00 0.00 H new ATOM 720 N ASP A 51 5.329 -2.080 8.565 1.00 0.00 N ATOM 721 CA ASP A 51 6.380 -2.730 7.791 1.00 0.00 C ATOM 722 C ASP A 51 5.881 -3.095 6.396 1.00 0.00 C ATOM 723 O ASP A 51 6.477 -2.705 5.392 1.00 0.00 O ATOM 724 CB ASP A 51 6.872 -3.985 8.514 1.00 0.00 C ATOM 725 CG ASP A 51 8.332 -4.281 8.231 1.00 0.00 C ATOM 726 OD1 ASP A 51 9.071 -3.337 7.881 1.00 0.00 O ATOM 727 OD2 ASP A 51 8.735 -5.456 8.359 1.00 0.00 O ATOM 0 H ASP A 51 4.814 -2.705 9.185 1.00 0.00 H new ATOM 0 HA ASP A 51 7.209 -2.029 7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.731 -3.861 9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.266 -4.838 8.209 1.00 0.00 H new ATOM 732 N ARG A 52 4.785 -3.844 6.342 1.00 0.00 N ATOM 733 CA ARG A 52 4.207 -4.263 5.071 1.00 0.00 C ATOM 734 C ARG A 52 3.450 -3.113 4.413 1.00 0.00 C ATOM 735 O ARG A 52 3.575 -2.881 3.210 1.00 0.00 O ATOM 736 CB ARG A 52 3.269 -5.452 5.279 1.00 0.00 C ATOM 737 CG ARG A 52 3.994 -6.775 5.464 1.00 0.00 C ATOM 738 CD ARG A 52 3.156 -7.944 4.971 1.00 0.00 C ATOM 739 NE ARG A 52 3.438 -9.171 5.711 1.00 0.00 N ATOM 740 CZ ARG A 52 3.129 -10.384 5.267 1.00 0.00 C ATOM 741 NH1 ARG A 52 2.532 -10.532 4.093 1.00 0.00 N ATOM 742 NH2 ARG A 52 3.417 -11.453 5.999 1.00 0.00 N ATOM 0 H ARG A 52 4.279 -4.173 7.164 1.00 0.00 H new ATOM 0 HA ARG A 52 5.022 -4.564 4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.646 -5.264 6.153 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.600 -5.531 4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.940 -6.751 4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.232 -6.916 6.518 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.099 -7.698 5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.350 -8.107 3.911 1.00 0.00 H new ATOM 0 HE ARG A 52 3.897 -9.092 6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.309 -9.713 3.528 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.296 -11.465 3.755 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.876 -11.343 6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.179 -12.384 5.657 1.00 0.00 H new ATOM 756 N TYR A 53 2.665 -2.396 5.209 1.00 0.00 N ATOM 757 CA TYR A 53 1.885 -1.273 4.704 1.00 0.00 C ATOM 758 C TYR A 53 2.666 0.032 4.829 1.00 0.00 C ATOM 759 O TYR A 53 3.357 0.262 5.821 1.00 0.00 O ATOM 760 CB TYR A 53 0.561 -1.162 5.461 1.00 0.00 C ATOM 761 CG TYR A 53 -0.319 -2.384 5.325 1.00 0.00 C ATOM 762 CD1 TYR A 53 -0.929 -2.693 4.115 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.542 -3.229 6.405 1.00 0.00 C ATOM 764 CE1 TYR A 53 -1.734 -3.808 3.985 1.00 0.00 C ATOM 765 CE2 TYR A 53 -1.344 -4.347 6.284 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.938 -4.632 5.072 1.00 0.00 C ATOM 767 OH TYR A 53 -2.739 -5.744 4.948 1.00 0.00 O ATOM 0 H TYR A 53 2.552 -2.573 6.207 1.00 0.00 H new ATOM 0 HA TYR A 53 1.678 -1.453 3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.769 -0.990 6.517 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.017 -0.290 5.098 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.771 -2.050 3.262 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.080 -3.008 7.356 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.201 -4.033 3.038 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.505 -4.994 7.133 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.777 -6.217 5.806 1.00 0.00 H new ATOM 777 N SER A 54 2.549 0.883 3.814 1.00 0.00 N ATOM 778 CA SER A 54 3.245 2.164 3.807 1.00 0.00 C ATOM 779 C SER A 54 2.313 3.287 3.363 1.00 0.00 C ATOM 780 O SER A 54 2.090 3.489 2.169 1.00 0.00 O ATOM 781 CB SER A 54 4.463 2.102 2.883 1.00 0.00 C ATOM 782 OG SER A 54 4.988 0.787 2.820 1.00 0.00 O ATOM 0 H SER A 54 1.979 0.708 2.986 1.00 0.00 H new ATOM 0 HA SER A 54 3.579 2.373 4.823 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.182 2.433 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.231 2.787 3.242 1.00 0.00 H new ATOM 0 HG SER A 54 5.764 0.773 2.222 1.00 0.00 H new ATOM 788 N LEU A 55 1.770 4.015 4.333 1.00 0.00 N ATOM 789 CA LEU A 55 0.861 5.119 4.044 1.00 0.00 C ATOM 790 C LEU A 55 1.597 6.455 4.080 1.00 0.00 C ATOM 791 O LEU A 55 2.201 6.815 5.091 1.00 0.00 O ATOM 792 CB LEU A 55 -0.292 5.132 5.049 1.00 0.00 C ATOM 793 CG LEU A 55 -0.769 3.765 5.541 1.00 0.00 C ATOM 794 CD1 LEU A 55 -1.777 3.925 6.669 1.00 0.00 C ATOM 795 CD2 LEU A 55 -1.371 2.965 4.395 1.00 0.00 C ATOM 0 H LEU A 55 1.943 3.861 5.326 1.00 0.00 H new ATOM 0 HA LEU A 55 0.460 4.974 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.013 5.721 5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.138 5.648 4.594 1.00 0.00 H new ATOM 0 HG LEU A 55 0.092 3.219 5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.105 2.942 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.312 4.457 7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.637 4.491 6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.705 1.995 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.220 3.507 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.619 2.819 3.619 1.00 0.00 H new ATOM 807 N ARG A 56 1.541 7.186 2.972 1.00 0.00 N ATOM 808 CA ARG A 56 2.201 8.482 2.877 1.00 0.00 C ATOM 809 C ARG A 56 1.229 9.553 2.391 1.00 0.00 C ATOM 810 O ARG A 56 0.602 9.405 1.343 1.00 0.00 O ATOM 811 CB ARG A 56 3.400 8.400 1.931 1.00 0.00 C ATOM 812 CG ARG A 56 4.574 7.620 2.502 1.00 0.00 C ATOM 813 CD ARG A 56 5.790 7.700 1.593 1.00 0.00 C ATOM 814 NE ARG A 56 7.028 7.395 2.306 1.00 0.00 N ATOM 815 CZ ARG A 56 8.237 7.671 1.832 1.00 0.00 C ATOM 816 NH1 ARG A 56 8.371 8.256 0.649 1.00 0.00 N ATOM 817 NH2 ARG A 56 9.316 7.363 2.540 1.00 0.00 N ATOM 0 H ARG A 56 1.045 6.903 2.127 1.00 0.00 H new ATOM 0 HA ARG A 56 2.550 8.757 3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.084 7.934 0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.730 9.410 1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.828 8.012 3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.288 6.577 2.638 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.669 7.004 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.856 8.700 1.163 1.00 0.00 H new ATOM 0 HE ARG A 56 6.960 6.945 3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.544 8.495 0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.301 8.467 0.287 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.218 6.913 3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.244 7.576 2.174 1.00 0.00 H new ATOM 831 N GLN A 57 1.109 10.630 3.162 1.00 0.00 N ATOM 832 CA GLN A 57 0.213 11.724 2.810 1.00 0.00 C ATOM 833 C GLN A 57 0.959 13.055 2.791 1.00 0.00 C ATOM 834 O GLN A 57 1.836 13.297 3.620 1.00 0.00 O ATOM 835 CB GLN A 57 -0.953 11.794 3.797 1.00 0.00 C ATOM 836 CG GLN A 57 -1.975 12.868 3.458 1.00 0.00 C ATOM 837 CD GLN A 57 -2.704 13.387 4.681 1.00 0.00 C ATOM 838 OE1 GLN A 57 -2.117 14.063 5.527 1.00 0.00 O ATOM 839 NE2 GLN A 57 -3.990 13.074 4.781 1.00 0.00 N ATOM 0 H GLN A 57 1.621 10.767 4.033 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.177 11.533 1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.452 10.825 3.826 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.561 11.980 4.797 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.473 13.697 2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.700 12.464 2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.436 12.511 4.056 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.532 13.396 5.583 1.00 0.00 H new ATOM 848 N ASP A 58 0.605 13.912 1.840 1.00 0.00 N ATOM 849 CA ASP A 58 1.241 15.219 1.714 1.00 0.00 C ATOM 850 C ASP A 58 0.198 16.311 1.496 1.00 0.00 C ATOM 851 O ASP A 58 0.165 16.950 0.445 1.00 0.00 O ATOM 852 CB ASP A 58 2.241 15.213 0.557 1.00 0.00 C ATOM 853 CG ASP A 58 3.335 16.248 0.733 1.00 0.00 C ATOM 854 OD1 ASP A 58 3.007 17.450 0.812 1.00 0.00 O ATOM 855 OD2 ASP A 58 4.520 15.856 0.790 1.00 0.00 O ATOM 0 H ASP A 58 -0.118 13.726 1.145 1.00 0.00 H new ATOM 0 HA ASP A 58 1.773 15.429 2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.691 14.224 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.713 15.402 -0.377 1.00 0.00 H new ATOM 860 N GLY A 59 -0.652 16.519 2.497 1.00 0.00 N ATOM 861 CA GLY A 59 -1.684 17.534 2.394 1.00 0.00 C ATOM 862 C GLY A 59 -3.014 16.965 1.940 1.00 0.00 C ATOM 863 O GLY A 59 -3.814 16.507 2.756 1.00 0.00 O ATOM 0 H GLY A 59 -0.644 16.003 3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.811 18.018 3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.363 18.304 1.692 1.00 0.00 H new ATOM 867 N THR A 60 -3.252 16.993 0.632 1.00 0.00 N ATOM 868 CA THR A 60 -4.494 16.479 0.070 1.00 0.00 C ATOM 869 C THR A 60 -4.270 15.143 -0.629 1.00 0.00 C ATOM 870 O THR A 60 -5.208 14.372 -0.833 1.00 0.00 O ATOM 871 CB THR A 60 -5.111 17.472 -0.932 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.079 18.085 -1.713 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.911 18.545 -0.208 1.00 0.00 C ATOM 0 H THR A 60 -2.600 17.367 -0.058 1.00 0.00 H new ATOM 0 HA THR A 60 -5.183 16.339 0.903 1.00 0.00 H new ATOM 0 HB THR A 60 -5.784 16.920 -1.589 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.480 18.714 -2.349 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.337 19.235 -0.936 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.714 18.078 0.362 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.256 19.092 0.470 1.00 0.00 H new ATOM 881 N LYS A 61 -3.021 14.874 -0.994 1.00 0.00 N ATOM 882 CA LYS A 61 -2.672 13.629 -1.669 1.00 0.00 C ATOM 883 C LYS A 61 -2.432 12.511 -0.659 1.00 0.00 C ATOM 884 O LYS A 61 -1.980 12.759 0.459 1.00 0.00 O ATOM 885 CB LYS A 61 -1.425 13.826 -2.534 1.00 0.00 C ATOM 886 CG LYS A 61 -1.705 14.525 -3.854 1.00 0.00 C ATOM 887 CD LYS A 61 -0.545 14.371 -4.823 1.00 0.00 C ATOM 888 CE LYS A 61 -0.715 13.143 -5.705 1.00 0.00 C ATOM 889 NZ LYS A 61 -0.056 11.943 -5.118 1.00 0.00 N ATOM 0 H LYS A 61 -2.233 15.502 -0.834 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.508 13.344 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.692 14.406 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.975 12.854 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.610 14.113 -4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.892 15.584 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.470 15.261 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.388 14.294 -4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.777 12.942 -5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.294 13.343 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.622 11.550 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.447 12.213 -4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.776 11.227 -4.893 1.00 0.00 H new ATOM 903 N CYS A 62 -2.735 11.282 -1.061 1.00 0.00 N ATOM 904 CA CYS A 62 -2.551 10.126 -0.191 1.00 0.00 C ATOM 905 C CYS A 62 -1.968 8.949 -0.967 1.00 0.00 C ATOM 906 O CYS A 62 -2.227 8.791 -2.159 1.00 0.00 O ATOM 907 CB CYS A 62 -3.882 9.724 0.446 1.00 0.00 C ATOM 908 SG CYS A 62 -4.764 11.090 1.237 1.00 0.00 S ATOM 0 H CYS A 62 -3.109 11.060 -1.984 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.849 10.402 0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.522 9.288 -0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.698 8.947 1.188 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.036 10.985 0.992 1.00 0.00 H new ATOM 914 N GLU A 63 -1.179 8.128 -0.281 1.00 0.00 N ATOM 915 CA GLU A 63 -0.557 6.967 -0.908 1.00 0.00 C ATOM 916 C GLU A 63 -0.495 5.793 0.065 1.00 0.00 C ATOM 917 O GLU A 63 -0.277 5.975 1.264 1.00 0.00 O ATOM 918 CB GLU A 63 0.851 7.315 -1.395 1.00 0.00 C ATOM 919 CG GLU A 63 1.668 6.104 -1.812 1.00 0.00 C ATOM 920 CD GLU A 63 2.937 6.482 -2.551 1.00 0.00 C ATOM 921 OE1 GLU A 63 3.831 7.086 -1.924 1.00 0.00 O ATOM 922 OE2 GLU A 63 3.035 6.173 -3.757 1.00 0.00 O ATOM 0 H GLU A 63 -0.956 8.245 0.707 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.167 6.677 -1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.775 8.000 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.380 7.844 -0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.927 5.523 -0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.059 5.461 -2.448 1.00 0.00 H new ATOM 929 N LEU A 64 -0.687 4.587 -0.460 1.00 0.00 N ATOM 930 CA LEU A 64 -0.653 3.382 0.361 1.00 0.00 C ATOM 931 C LEU A 64 -0.036 2.217 -0.407 1.00 0.00 C ATOM 932 O LEU A 64 -0.586 1.763 -1.410 1.00 0.00 O ATOM 933 CB LEU A 64 -2.065 3.014 0.820 1.00 0.00 C ATOM 934 CG LEU A 64 -2.244 1.600 1.373 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.592 0.629 0.255 1.00 0.00 C ATOM 936 CD2 LEU A 64 -0.986 1.148 2.101 1.00 0.00 C ATOM 0 H LEU A 64 -0.868 4.418 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.035 3.585 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.373 3.724 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.744 3.142 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.068 1.612 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.715 -0.372 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.521 0.942 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.790 0.621 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.132 0.139 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.144 1.153 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.780 1.828 2.928 1.00 0.00 H new ATOM 948 N GLN A 65 1.107 1.738 0.072 1.00 0.00 N ATOM 949 CA GLN A 65 1.797 0.625 -0.569 1.00 0.00 C ATOM 950 C GLN A 65 1.615 -0.661 0.229 1.00 0.00 C ATOM 951 O GLN A 65 1.494 -0.631 1.454 1.00 0.00 O ATOM 952 CB GLN A 65 3.286 0.940 -0.720 1.00 0.00 C ATOM 953 CG GLN A 65 3.609 1.788 -1.940 1.00 0.00 C ATOM 954 CD GLN A 65 5.092 2.067 -2.081 1.00 0.00 C ATOM 955 OE1 GLN A 65 5.836 1.264 -2.644 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.530 3.211 -1.568 1.00 0.00 N ATOM 0 H GLN A 65 1.575 2.103 0.902 1.00 0.00 H new ATOM 0 HA GLN A 65 1.361 0.481 -1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.631 1.459 0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.842 0.005 -0.781 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.252 1.280 -2.836 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.070 2.733 -1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.878 3.847 -1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.519 3.453 -1.632 1.00 0.00 H new ATOM 965 N ILE A 66 1.597 -1.790 -0.472 1.00 0.00 N ATOM 966 CA ILE A 66 1.430 -3.086 0.172 1.00 0.00 C ATOM 967 C ILE A 66 2.583 -4.024 -0.173 1.00 0.00 C ATOM 968 O ILE A 66 2.597 -4.640 -1.238 1.00 0.00 O ATOM 969 CB ILE A 66 0.103 -3.752 -0.236 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.074 -2.825 0.074 1.00 0.00 C ATOM 971 CG2 ILE A 66 -0.063 -5.085 0.478 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.251 -3.009 -0.859 1.00 0.00 C ATOM 0 H ILE A 66 1.696 -1.833 -1.486 1.00 0.00 H new ATOM 0 HA ILE A 66 1.420 -2.904 1.247 1.00 0.00 H new ATOM 0 HB ILE A 66 0.122 -3.938 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.403 -2.999 1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.735 -1.790 0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.006 -5.543 0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.762 -5.746 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.064 -4.923 1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.048 -2.320 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.938 -2.807 -1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.616 -4.034 -0.787 1.00 0.00 H new ATOM 984 N ARG A 67 3.547 -4.127 0.737 1.00 0.00 N ATOM 985 CA ARG A 67 4.703 -4.989 0.529 1.00 0.00 C ATOM 986 C ARG A 67 4.364 -6.441 0.853 1.00 0.00 C ATOM 987 O ARG A 67 3.949 -6.759 1.967 1.00 0.00 O ATOM 988 CB ARG A 67 5.875 -4.523 1.395 1.00 0.00 C ATOM 989 CG ARG A 67 6.415 -3.157 1.006 1.00 0.00 C ATOM 990 CD ARG A 67 7.382 -2.621 2.050 1.00 0.00 C ATOM 991 NE ARG A 67 8.687 -3.271 1.972 1.00 0.00 N ATOM 992 CZ ARG A 67 9.783 -2.792 2.550 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.730 -1.664 3.245 1.00 0.00 N ATOM 994 NH2 ARG A 67 10.934 -3.441 2.433 1.00 0.00 N ATOM 0 H ARG A 67 3.550 -3.624 1.624 1.00 0.00 H new ATOM 0 HA ARG A 67 4.988 -4.926 -0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.557 -4.495 2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.680 -5.255 1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.920 -3.225 0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.587 -2.459 0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.504 -1.546 1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.961 -2.771 3.044 1.00 0.00 H new ATOM 0 HE ARG A 67 8.761 -4.141 1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.847 -1.162 3.337 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.573 -1.298 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.978 -4.309 1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.775 -3.072 2.877 1.00 0.00 H new ATOM 1008 N GLY A 68 4.542 -7.319 -0.130 1.00 0.00 N ATOM 1009 CA GLY A 68 4.249 -8.726 0.069 1.00 0.00 C ATOM 1010 C GLY A 68 2.968 -9.155 -0.618 1.00 0.00 C ATOM 1011 O GLY A 68 2.098 -9.769 0.001 1.00 0.00 O ATOM 0 H GLY A 68 4.884 -7.080 -1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.078 -9.324 -0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.171 -8.930 1.137 1.00 0.00 H new ATOM 1015 N LEU A 69 2.850 -8.830 -1.901 1.00 0.00 N ATOM 1016 CA LEU A 69 1.664 -9.184 -2.673 1.00 0.00 C ATOM 1017 C LEU A 69 1.589 -10.692 -2.895 1.00 0.00 C ATOM 1018 O LEU A 69 2.604 -11.345 -3.133 1.00 0.00 O ATOM 1019 CB LEU A 69 1.673 -8.459 -4.020 1.00 0.00 C ATOM 1020 CG LEU A 69 1.374 -6.960 -3.977 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.569 -6.337 -5.351 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.041 -6.713 -3.474 1.00 0.00 C ATOM 0 H LEU A 69 3.561 -8.322 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 69 0.786 -8.874 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.651 -8.601 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.942 -8.937 -4.672 1.00 0.00 H new ATOM 0 HG LEU A 69 2.072 -6.489 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.352 -5.270 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.600 -6.483 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.895 -6.811 -6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.237 -5.641 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.754 -7.197 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.147 -7.124 -2.470 1.00 0.00 H new ATOM 1034 N ALA A 70 0.379 -11.236 -2.818 1.00 0.00 N ATOM 1035 CA ALA A 70 0.171 -12.666 -3.015 1.00 0.00 C ATOM 1036 C ALA A 70 -1.278 -12.964 -3.384 1.00 0.00 C ATOM 1037 O ALA A 70 -2.171 -12.154 -3.134 1.00 0.00 O ATOM 1038 CB ALA A 70 0.568 -13.434 -1.763 1.00 0.00 C ATOM 0 H ALA A 70 -0.472 -10.709 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 70 0.803 -12.990 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.408 -14.500 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.621 -13.254 -1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.039 -13.099 -0.922 1.00 0.00 H new ATOM 1044 N MET A 71 -1.505 -14.130 -3.979 1.00 0.00 N ATOM 1045 CA MET A 71 -2.847 -14.534 -4.382 1.00 0.00 C ATOM 1046 C MET A 71 -3.866 -14.187 -3.302 1.00 0.00 C ATOM 1047 O MET A 71 -5.017 -13.870 -3.600 1.00 0.00 O ATOM 1048 CB MET A 71 -2.885 -16.036 -4.672 1.00 0.00 C ATOM 1049 CG MET A 71 -2.138 -16.430 -5.936 1.00 0.00 C ATOM 1050 SD MET A 71 -3.189 -16.404 -7.400 1.00 0.00 S ATOM 1051 CE MET A 71 -2.931 -14.726 -7.972 1.00 0.00 C ATOM 0 H MET A 71 -0.777 -14.812 -4.193 1.00 0.00 H new ATOM 0 HA MET A 71 -3.106 -13.989 -5.290 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.457 -16.572 -3.825 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.924 -16.355 -4.759 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.299 -15.751 -6.084 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.721 -17.429 -5.810 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.808 -14.123 -7.738 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.057 -14.303 -7.477 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.771 -14.730 -9.050 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.435 -14.249 -2.046 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.310 -13.939 -0.922 1.00 0.00 C ATOM 1063 C ALA A 72 -4.597 -12.443 -0.845 1.00 0.00 C ATOM 1064 O ALA A 72 -5.739 -12.029 -0.645 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.691 -14.428 0.379 1.00 0.00 C ATOM 0 H ALA A 72 -2.485 -14.511 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.257 -14.456 -1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.355 -14.190 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.545 -15.507 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.729 -13.938 0.531 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.553 -11.637 -1.003 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.692 -10.186 -0.952 1.00 0.00 C ATOM 1073 C ASP A 73 -4.741 -9.706 -1.949 1.00 0.00 C ATOM 1074 O ASP A 73 -5.391 -8.681 -1.739 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.350 -9.513 -1.241 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.270 -9.928 -0.260 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.132 -11.144 -0.011 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.565 -9.038 0.258 1.00 0.00 O ATOM 0 H ASP A 73 -2.601 -11.964 -1.168 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.018 -9.912 0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.032 -9.763 -2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.474 -8.431 -1.204 1.00 0.00 H new ATOM 1083 N THR A 74 -4.902 -10.452 -3.038 1.00 0.00 N ATOM 1084 CA THR A 74 -5.870 -10.101 -4.069 1.00 0.00 C ATOM 1085 C THR A 74 -7.247 -9.846 -3.466 1.00 0.00 C ATOM 1086 O THR A 74 -7.932 -10.776 -3.043 1.00 0.00 O ATOM 1087 CB THR A 74 -5.985 -11.210 -5.132 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.692 -11.512 -5.666 1.00 0.00 O ATOM 1089 CG2 THR A 74 -6.918 -10.787 -6.257 1.00 0.00 C ATOM 0 H THR A 74 -4.374 -11.304 -3.228 1.00 0.00 H new ATOM 0 HA THR A 74 -5.510 -9.189 -4.544 1.00 0.00 H new ATOM 0 HB THR A 74 -6.397 -12.099 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.773 -12.219 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.983 -11.586 -6.995 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.909 -10.586 -5.851 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.531 -9.885 -6.731 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.647 -8.579 -3.431 1.00 0.00 N ATOM 1098 CA GLY A 75 -8.942 -8.224 -2.879 1.00 0.00 C ATOM 1099 C GLY A 75 -9.378 -6.828 -3.274 1.00 0.00 C ATOM 1100 O GLY A 75 -9.128 -6.387 -4.395 1.00 0.00 O ATOM 0 H GLY A 75 -7.098 -7.791 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.687 -8.943 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.902 -8.295 -1.792 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.034 -6.131 -2.351 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.508 -4.777 -2.611 1.00 0.00 C ATOM 1106 C GLU A 76 -10.115 -3.835 -1.476 1.00 0.00 C ATOM 1107 O GLU A 76 -10.289 -4.156 -0.300 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.027 -4.770 -2.790 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.626 -3.375 -2.859 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.133 -3.395 -3.027 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -14.609 -3.955 -4.037 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -14.836 -2.851 -2.150 1.00 0.00 O ATOM 0 H GLU A 76 -10.249 -6.482 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.039 -4.426 -3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.279 -5.310 -3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.484 -5.312 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.373 -2.830 -1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.178 -2.832 -3.692 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.583 -2.673 -1.837 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.162 -1.685 -0.850 1.00 0.00 C ATOM 1121 C TYR A 77 -10.002 -0.416 -0.957 1.00 0.00 C ATOM 1122 O TYR A 77 -10.338 0.029 -2.054 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.682 -1.348 -1.035 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.762 -2.532 -0.842 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.711 -3.557 -1.778 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -5.944 -2.626 0.278 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -5.873 -4.642 -1.605 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.102 -3.706 0.458 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.070 -4.711 -0.486 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.233 -5.789 -0.309 1.00 0.00 O ATOM 0 H TYR A 77 -9.433 -2.392 -2.806 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.309 -2.113 0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.533 -0.942 -2.036 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.405 -0.565 -0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.337 -3.505 -2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.967 -1.841 1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.847 -5.431 -2.342 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.472 -3.763 1.333 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.735 -5.683 0.529 1.00 0.00 H new ATOM 1140 N SER A 78 -10.337 0.162 0.192 1.00 0.00 N ATOM 1141 CA SER A 78 -11.140 1.379 0.230 1.00 0.00 C ATOM 1142 C SER A 78 -10.501 2.423 1.141 1.00 0.00 C ATOM 1143 O SER A 78 -10.304 2.186 2.333 1.00 0.00 O ATOM 1144 CB SER A 78 -12.558 1.064 0.712 1.00 0.00 C ATOM 1145 OG SER A 78 -13.034 -0.142 0.142 1.00 0.00 O ATOM 0 H SER A 78 -10.065 -0.193 1.109 1.00 0.00 H new ATOM 0 HA SER A 78 -11.189 1.785 -0.780 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.567 0.984 1.799 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.226 1.884 0.447 1.00 0.00 H new ATOM 0 HG SER A 78 -13.941 -0.322 0.467 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.180 3.579 0.571 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.563 4.661 1.329 1.00 0.00 C ATOM 1153 C CYS A 79 -10.621 5.615 1.874 1.00 0.00 C ATOM 1154 O CYS A 79 -11.186 6.420 1.135 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.572 5.426 0.452 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.268 6.273 1.376 1.00 0.00 S ATOM 0 H CYS A 79 -10.337 3.791 -0.414 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.027 4.222 2.171 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.112 4.730 -0.249 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.119 6.160 -0.140 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.121 5.722 1.112 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.885 5.518 3.174 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.875 6.372 3.818 1.00 0.00 C ATOM 1164 C VAL A 80 -11.227 7.624 4.399 1.00 0.00 C ATOM 1165 O VAL A 80 -10.091 7.584 4.873 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.616 5.623 4.942 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -13.953 6.286 5.234 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.807 4.160 4.570 1.00 0.00 C ATOM 0 H VAL A 80 -10.427 4.857 3.801 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.592 6.661 3.049 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.010 5.669 5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.462 5.743 6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.787 7.317 5.546 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.569 6.274 4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.332 3.645 5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.392 4.091 3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.834 3.694 4.415 1.00 0.00 H new ATOM 1178 N CYS A 81 -11.956 8.733 4.359 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.452 9.999 4.882 1.00 0.00 C ATOM 1180 C CYS A 81 -12.327 10.502 6.025 1.00 0.00 C ATOM 1181 O CYS A 81 -11.831 11.076 6.994 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.392 11.046 3.769 1.00 0.00 C ATOM 1183 SG CYS A 81 -12.992 11.405 3.007 1.00 0.00 S ATOM 0 H CYS A 81 -12.898 8.782 3.970 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.446 9.831 5.267 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.980 11.970 4.175 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.703 10.702 2.998 1.00 0.00 H new ATOM 0 HG CYS A 81 -13.128 10.694 1.927 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.633 10.285 5.904 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.557 10.724 6.933 1.00 0.00 C ATOM 1191 C GLY A 82 -16.005 10.487 6.552 1.00 0.00 C ATOM 1192 O GLY A 82 -16.712 9.732 7.218 1.00 0.00 O ATOM 0 H GLY A 82 -14.068 9.813 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.338 10.197 7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.404 11.786 7.125 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.446 11.135 5.479 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.820 10.992 5.013 1.00 0.00 C ATOM 1198 C GLN A 83 -17.883 10.121 3.762 1.00 0.00 C ATOM 1199 O GLN A 83 -18.810 9.329 3.592 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.428 12.365 4.723 1.00 0.00 C ATOM 1201 CG GLN A 83 -18.817 13.135 5.975 1.00 0.00 C ATOM 1202 CD GLN A 83 -20.188 12.749 6.495 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -20.943 12.043 5.825 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -20.518 13.211 7.695 1.00 0.00 N ATOM 0 H GLN A 83 -15.873 11.764 4.916 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.395 10.507 5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.713 12.956 4.150 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.311 12.237 4.096 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -18.074 12.956 6.752 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -18.802 14.203 5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -19.862 13.793 8.216 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -21.428 12.984 8.096 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.891 10.273 2.890 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.836 9.500 1.655 1.00 0.00 C ATOM 1215 C GLU A 84 -15.559 8.667 1.591 1.00 0.00 C ATOM 1216 O GLU A 84 -14.649 8.843 2.402 1.00 0.00 O ATOM 1217 CB GLU A 84 -16.912 10.430 0.442 1.00 0.00 C ATOM 1218 CG GLU A 84 -18.108 11.366 0.467 1.00 0.00 C ATOM 1219 CD GLU A 84 -19.411 10.657 0.151 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -19.959 9.994 1.056 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -19.882 10.765 -1.000 1.00 0.00 O ATOM 0 H GLU A 84 -16.116 10.924 3.016 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.691 8.824 1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.999 11.023 0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.952 9.827 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.181 11.830 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.951 12.169 -0.254 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.500 7.759 0.623 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.336 6.897 0.454 1.00 0.00 C ATOM 1230 C ARG A 85 -14.278 6.333 -0.963 1.00 0.00 C ATOM 1231 O ARG A 85 -15.273 6.345 -1.689 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.371 5.753 1.468 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.141 4.534 0.986 1.00 0.00 C ATOM 1234 CD ARG A 85 -15.602 3.671 2.150 1.00 0.00 C ATOM 1235 NE ARG A 85 -16.468 2.579 1.711 1.00 0.00 N ATOM 1236 CZ ARG A 85 -17.738 2.745 1.358 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -18.286 3.951 1.392 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -18.461 1.702 0.971 1.00 0.00 N ATOM 0 H ARG A 85 -16.244 7.601 -0.056 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.443 7.498 0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.349 5.457 1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.820 6.113 2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.005 4.855 0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.511 3.944 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.733 3.260 2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -16.136 4.290 2.871 1.00 0.00 H new ATOM 0 HE ARG A 85 -16.076 1.638 1.674 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -17.733 4.754 1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -19.261 4.076 1.120 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.042 0.773 0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -19.436 1.830 0.700 1.00 0.00 H new ATOM 1252 N THR A 86 -13.106 5.840 -1.351 1.00 0.00 N ATOM 1253 CA THR A 86 -12.918 5.273 -2.680 1.00 0.00 C ATOM 1254 C THR A 86 -12.740 3.761 -2.613 1.00 0.00 C ATOM 1255 O THR A 86 -12.763 3.171 -1.533 1.00 0.00 O ATOM 1256 CB THR A 86 -11.696 5.891 -3.386 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.543 5.320 -4.690 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.429 5.663 -2.575 1.00 0.00 C ATOM 0 H THR A 86 -12.273 5.822 -0.763 1.00 0.00 H new ATOM 0 HA THR A 86 -13.816 5.505 -3.252 1.00 0.00 H new ATOM 0 HB THR A 86 -11.861 6.965 -3.477 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.150 5.984 -5.294 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.580 6.108 -3.094 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.537 6.125 -1.593 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.261 4.593 -2.456 1.00 0.00 H new ATOM 1266 N SER A 87 -12.564 3.138 -3.775 1.00 0.00 N ATOM 1267 CA SER A 87 -12.386 1.693 -3.848 1.00 0.00 C ATOM 1268 C SER A 87 -11.727 1.293 -5.164 1.00 0.00 C ATOM 1269 O SER A 87 -11.968 1.907 -6.203 1.00 0.00 O ATOM 1270 CB SER A 87 -13.733 0.984 -3.702 1.00 0.00 C ATOM 1271 OG SER A 87 -14.788 1.786 -4.204 1.00 0.00 O ATOM 0 H SER A 87 -12.541 3.612 -4.678 1.00 0.00 H new ATOM 0 HA SER A 87 -11.734 1.390 -3.029 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.708 0.034 -4.237 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.915 0.754 -2.652 1.00 0.00 H new ATOM 0 HG SER A 87 -15.638 1.310 -4.101 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.894 0.258 -5.111 1.00 0.00 N ATOM 1278 CA ALA A 88 -10.202 -0.226 -6.299 1.00 0.00 C ATOM 1279 C ALA A 88 -9.688 -1.647 -6.093 1.00 0.00 C ATOM 1280 O ALA A 88 -8.854 -1.896 -5.223 1.00 0.00 O ATOM 1281 CB ALA A 88 -9.053 0.705 -6.657 1.00 0.00 C ATOM 0 H ALA A 88 -10.683 -0.261 -4.259 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.914 -0.240 -7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.545 0.331 -7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.442 1.704 -6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.347 0.748 -5.827 1.00 0.00 H new ATOM 1287 N MET A 89 -10.191 -2.576 -6.900 1.00 0.00 N ATOM 1288 CA MET A 89 -9.781 -3.972 -6.806 1.00 0.00 C ATOM 1289 C MET A 89 -8.303 -4.130 -7.149 1.00 0.00 C ATOM 1290 O MET A 89 -7.804 -3.510 -8.088 1.00 0.00 O ATOM 1291 CB MET A 89 -10.629 -4.839 -7.740 1.00 0.00 C ATOM 1292 CG MET A 89 -9.854 -5.979 -8.381 1.00 0.00 C ATOM 1293 SD MET A 89 -10.888 -7.416 -8.721 1.00 0.00 S ATOM 1294 CE MET A 89 -11.171 -8.030 -7.062 1.00 0.00 C ATOM 0 H MET A 89 -10.883 -2.387 -7.626 1.00 0.00 H new ATOM 0 HA MET A 89 -9.934 -4.301 -5.778 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.467 -5.251 -7.178 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.049 -4.210 -8.525 1.00 0.00 H new ATOM 0 HG2 MET A 89 -9.406 -5.630 -9.311 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.036 -6.272 -7.723 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.458 -9.080 -7.107 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.258 -7.928 -6.476 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.969 -7.455 -6.593 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.608 -4.962 -6.381 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.186 -5.201 -6.604 1.00 0.00 C ATOM 1306 C LEU A 90 -5.942 -6.629 -7.081 1.00 0.00 C ATOM 1307 O LEU A 90 -6.109 -7.586 -6.324 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.398 -4.939 -5.320 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.066 -5.677 -5.187 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.159 -5.359 -6.366 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.384 -5.317 -3.875 1.00 0.00 C ATOM 0 H LEU A 90 -8.006 -5.482 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.845 -4.515 -7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.206 -3.868 -5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.026 -5.208 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.266 -6.749 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.216 -5.893 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.644 -5.669 -7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.967 -4.287 -6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.437 -5.852 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.198 -4.243 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.028 -5.597 -3.041 1.00 0.00 H new ATOM 1323 N THR A 91 -5.544 -6.767 -8.342 1.00 0.00 N ATOM 1324 CA THR A 91 -5.276 -8.077 -8.920 1.00 0.00 C ATOM 1325 C THR A 91 -3.797 -8.432 -8.814 1.00 0.00 C ATOM 1326 O THR A 91 -2.932 -7.668 -9.242 1.00 0.00 O ATOM 1327 CB THR A 91 -5.701 -8.136 -10.400 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.121 -7.986 -10.507 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.276 -9.452 -11.033 1.00 0.00 C ATOM 0 H THR A 91 -5.400 -5.986 -8.983 1.00 0.00 H new ATOM 0 HA THR A 91 -5.863 -8.799 -8.352 1.00 0.00 H new ATOM 0 HB THR A 91 -5.208 -7.321 -10.930 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.384 -8.023 -11.450 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.587 -9.470 -12.078 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.192 -9.550 -10.975 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.744 -10.280 -10.500 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.513 -9.598 -8.242 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.138 -10.056 -8.081 1.00 0.00 C ATOM 1339 C VAL A 92 -1.807 -11.162 -9.077 1.00 0.00 C ATOM 1340 O VAL A 92 -2.009 -12.344 -8.797 1.00 0.00 O ATOM 1341 CB VAL A 92 -1.882 -10.572 -6.653 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.462 -11.102 -6.523 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.145 -9.474 -5.634 1.00 0.00 C ATOM 0 H VAL A 92 -4.217 -10.243 -7.882 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.494 -9.197 -8.269 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.571 -11.393 -6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.300 -11.462 -5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.314 -11.921 -7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.246 -10.303 -6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.959 -9.857 -4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.483 -8.630 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.182 -9.147 -5.711 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.297 -10.771 -10.240 1.00 0.00 N ATOM 1354 CA ARG A 93 -0.939 -11.729 -11.278 1.00 0.00 C ATOM 1355 C ARG A 93 0.186 -12.646 -10.807 1.00 0.00 C ATOM 1356 O ARG A 93 1.341 -12.230 -10.716 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.515 -10.997 -12.553 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.641 -10.213 -13.208 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.668 -11.138 -13.842 1.00 0.00 C ATOM 1360 NE ARG A 93 -2.138 -11.820 -15.019 1.00 0.00 N ATOM 1361 CZ ARG A 93 -2.673 -12.922 -15.533 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -3.748 -13.463 -14.976 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -2.134 -13.484 -16.607 1.00 0.00 N ATOM 0 H ARG A 93 -1.122 -9.797 -10.487 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.816 -12.339 -11.492 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.301 -10.315 -12.316 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.126 -11.723 -13.267 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.128 -9.583 -12.464 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.229 -9.549 -13.968 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.991 -11.878 -13.109 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.550 -10.562 -14.123 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.312 -11.429 -15.471 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.166 -13.033 -14.151 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.157 -14.309 -15.373 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.308 -13.070 -17.039 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.546 -14.330 -17.001 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.160 -13.894 -10.508 1.00 0.00 N ATOM 1378 CA ALA A 94 0.821 -14.869 -10.048 1.00 0.00 C ATOM 1379 C ALA A 94 2.053 -14.875 -10.947 1.00 0.00 C ATOM 1380 O ALA A 94 1.946 -14.720 -12.165 1.00 0.00 O ATOM 1381 CB ALA A 94 0.199 -16.256 -9.992 1.00 0.00 C ATOM 0 H ALA A 94 -1.112 -14.253 -10.576 1.00 0.00 H new ATOM 0 HA ALA A 94 1.138 -14.584 -9.045 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.942 -16.975 -9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.646 -16.248 -9.303 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.146 -16.540 -10.986 1.00 0.00 H new ATOM 1387 N LEU A 95 3.221 -15.055 -10.341 1.00 0.00 N ATOM 1388 CA LEU A 95 4.474 -15.081 -11.087 1.00 0.00 C ATOM 1389 C LEU A 95 4.698 -16.447 -11.728 1.00 0.00 C ATOM 1390 O LEU A 95 4.371 -17.488 -11.158 1.00 0.00 O ATOM 1391 CB LEU A 95 5.646 -14.738 -10.166 1.00 0.00 C ATOM 1392 CG LEU A 95 5.906 -13.249 -9.936 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.851 -13.048 -8.762 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.471 -12.606 -11.194 1.00 0.00 C ATOM 0 H LEU A 95 3.327 -15.185 -9.335 1.00 0.00 H new ATOM 0 HA LEU A 95 4.412 -14.335 -11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.472 -15.209 -9.199 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.550 -15.184 -10.580 1.00 0.00 H new ATOM 0 HG LEU A 95 4.958 -12.766 -9.700 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.025 -11.982 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.408 -13.473 -7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.799 -13.545 -8.969 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.650 -11.546 -11.012 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.409 -13.092 -11.461 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.759 -12.719 -12.011 1.00 0.00 H new