USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 689 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 50 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 TYR OH : rot 53:sc= 1.06 USER MOD Set 2.1: A 32 TYR OH : rot -58:sc= 0.362 USER MOD Set 2.2: A 40 CYS SG : rot 180:sc= 0.302 USER MOD Set 3.1: A 15 MET CE :methyl -161:sc= -0.0723 (180deg=-0.202) USER MOD Set 3.2: A 18 MET CE :methyl 178:sc= 0 (180deg=-0.00223) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.029) USER MOD Single : A 20 ASN : amide:sc= -2.11! K(o=-2.1!,f=-1.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.01) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= 0.151 (180deg=0.126) USER MOD Single : A 59 SER OG : rot 180:sc= -0.165 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -3.48 K(o=-3.5,f=-5.2!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.422 USER MOD Single : A 72 ASN : amide:sc= -0.182 K(o=-0.18,f=-0.93) USER MOD Single : A 78 SER OG : rot -75:sc= 0.548 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.577 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00748 USER MOD Single : A 85 SER OG : rot 180:sc= -0.937 USER MOD Single : A 89 SER OG : rot -80:sc= -0.466 USER MOD Single : A 90 THR OG1 : rot 56:sc= 1.01 USER MOD Single : A 96 GLN : amide:sc= -0.533! X(o=-0.53!,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 104 N LEU A 11 -2.211 -12.161 7.763 1.00 0.00 N ATOM 105 CA LEU A 11 -2.709 -10.955 7.110 1.00 0.00 C ATOM 106 C LEU A 11 -4.164 -11.126 6.687 1.00 0.00 C ATOM 107 O LEU A 11 -4.990 -10.239 6.898 1.00 0.00 O ATOM 108 CB LEU A 11 -1.847 -10.618 5.892 1.00 0.00 C ATOM 109 CG LEU A 11 -2.232 -9.351 5.128 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.890 -8.112 5.942 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.536 -9.311 3.775 1.00 0.00 C ATOM 0 HA LEU A 11 -2.653 -10.134 7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.812 -10.520 6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.884 -11.460 5.201 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.309 -9.365 4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.171 -7.220 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.435 -8.135 6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.819 -8.092 6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.822 -8.402 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.456 -9.321 3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.831 -10.181 3.188 1.00 0.00 H new ATOM 123 N GLU A 12 -4.470 -12.274 6.090 1.00 0.00 N ATOM 124 CA GLU A 12 -5.827 -12.561 5.638 1.00 0.00 C ATOM 125 C GLU A 12 -6.826 -12.400 6.780 1.00 0.00 C ATOM 126 O GLU A 12 -7.909 -11.844 6.600 1.00 0.00 O ATOM 127 CB GLU A 12 -5.909 -13.979 5.070 1.00 0.00 C ATOM 128 CG GLU A 12 -5.622 -14.056 3.580 1.00 0.00 C ATOM 129 CD GLU A 12 -6.538 -13.164 2.763 1.00 0.00 C ATOM 130 OE1 GLU A 12 -7.769 -13.240 2.959 1.00 0.00 O ATOM 131 OE2 GLU A 12 -6.023 -12.391 1.929 1.00 0.00 O ATOM 0 H GLU A 12 -3.798 -13.019 5.908 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.080 -11.848 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.201 -14.615 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.904 -14.381 5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.586 -13.771 3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.732 -15.087 3.245 1.00 0.00 H new ATOM 138 N LYS A 13 -6.454 -12.892 7.958 1.00 0.00 N ATOM 139 CA LYS A 13 -7.315 -12.803 9.131 1.00 0.00 C ATOM 140 C LYS A 13 -7.645 -11.350 9.455 1.00 0.00 C ATOM 141 O LYS A 13 -8.797 -10.925 9.348 1.00 0.00 O ATOM 142 CB LYS A 13 -6.641 -13.465 10.335 1.00 0.00 C ATOM 143 CG LYS A 13 -6.795 -14.976 10.364 1.00 0.00 C ATOM 144 CD LYS A 13 -5.710 -15.631 11.202 1.00 0.00 C ATOM 145 CE LYS A 13 -5.985 -15.474 12.690 1.00 0.00 C ATOM 146 NZ LYS A 13 -5.401 -16.591 13.483 1.00 0.00 N ATOM 0 H LYS A 13 -5.561 -13.357 8.125 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.245 -13.327 8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.580 -13.216 10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.061 -13.048 11.250 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.774 -15.235 10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.756 -15.366 9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.645 -16.690 10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.744 -15.187 10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.572 -14.527 13.038 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.061 -15.433 12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.610 -16.447 14.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.814 -17.493 13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.371 -16.615 13.343 1.00 0.00 H new ATOM 160 N LEU A 14 -6.629 -10.591 9.849 1.00 0.00 N ATOM 161 CA LEU A 14 -6.811 -9.183 10.187 1.00 0.00 C ATOM 162 C LEU A 14 -7.623 -8.466 9.114 1.00 0.00 C ATOM 163 O LEU A 14 -8.608 -7.792 9.414 1.00 0.00 O ATOM 164 CB LEU A 14 -5.453 -8.500 10.358 1.00 0.00 C ATOM 165 CG LEU A 14 -5.490 -7.023 10.752 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.497 -6.874 12.265 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.308 -6.280 10.146 1.00 0.00 C ATOM 0 H LEU A 14 -5.670 -10.926 9.943 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.359 -9.128 11.128 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.888 -9.043 11.115 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.902 -8.592 9.422 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.408 -6.585 10.361 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.523 -5.816 12.526 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.376 -7.371 12.676 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.597 -7.328 12.679 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.350 -5.230 10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.378 -6.719 10.507 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.348 -6.357 9.059 1.00 0.00 H new ATOM 179 N MET A 15 -7.204 -8.618 7.862 1.00 0.00 N ATOM 180 CA MET A 15 -7.895 -7.987 6.743 1.00 0.00 C ATOM 181 C MET A 15 -9.351 -8.438 6.680 1.00 0.00 C ATOM 182 O MET A 15 -10.253 -7.624 6.490 1.00 0.00 O ATOM 183 CB MET A 15 -7.188 -8.318 5.427 1.00 0.00 C ATOM 184 CG MET A 15 -5.879 -7.569 5.235 1.00 0.00 C ATOM 185 SD MET A 15 -5.115 -7.095 6.798 1.00 0.00 S ATOM 186 CE MET A 15 -4.910 -5.332 6.554 1.00 0.00 C ATOM 0 H MET A 15 -6.390 -9.172 7.597 1.00 0.00 H new ATOM 0 HA MET A 15 -7.874 -6.908 6.896 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.993 -9.390 5.388 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.855 -8.085 4.597 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.186 -8.194 4.671 1.00 0.00 H new ATOM 0 HG3 MET A 15 -6.060 -6.675 4.638 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.168 -4.951 7.256 1.00 0.00 H new ATOM 0 HE2 MET A 15 -4.576 -5.142 5.534 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.862 -4.828 6.724 1.00 0.00 H new ATOM 196 N GLU A 16 -9.570 -9.739 6.839 1.00 0.00 N ATOM 197 CA GLU A 16 -10.917 -10.297 6.799 1.00 0.00 C ATOM 198 C GLU A 16 -11.835 -9.573 7.779 1.00 0.00 C ATOM 199 O GLU A 16 -13.047 -9.509 7.578 1.00 0.00 O ATOM 200 CB GLU A 16 -10.884 -11.792 7.122 1.00 0.00 C ATOM 201 CG GLU A 16 -12.242 -12.365 7.493 1.00 0.00 C ATOM 202 CD GLU A 16 -12.140 -13.728 8.149 1.00 0.00 C ATOM 203 OE1 GLU A 16 -11.544 -13.816 9.243 1.00 0.00 O ATOM 204 OE2 GLU A 16 -12.657 -14.706 7.570 1.00 0.00 O ATOM 0 H GLU A 16 -8.833 -10.426 6.997 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.310 -10.160 5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.494 -12.333 6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.190 -11.962 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.750 -11.677 8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.857 -12.442 6.596 1.00 0.00 H new ATOM 211 N ASN A 17 -11.248 -9.030 8.841 1.00 0.00 N ATOM 212 CA ASN A 17 -12.012 -8.312 9.854 1.00 0.00 C ATOM 213 C ASN A 17 -12.234 -6.860 9.440 1.00 0.00 C ATOM 214 O ASN A 17 -13.325 -6.316 9.608 1.00 0.00 O ATOM 215 CB ASN A 17 -11.290 -8.366 11.201 1.00 0.00 C ATOM 216 CG ASN A 17 -11.276 -9.762 11.794 1.00 0.00 C ATOM 217 OD1 ASN A 17 -12.324 -10.383 11.974 1.00 0.00 O ATOM 218 ND2 ASN A 17 -10.085 -10.262 12.101 1.00 0.00 N ATOM 0 H ASN A 17 -10.245 -9.074 9.022 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.984 -8.796 9.951 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.265 -8.017 11.075 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.775 -7.683 11.898 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.012 -11.197 12.503 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.243 -9.712 11.935 1.00 0.00 H new ATOM 225 N MET A 18 -11.190 -6.239 8.899 1.00 0.00 N ATOM 226 CA MET A 18 -11.271 -4.851 8.460 1.00 0.00 C ATOM 227 C MET A 18 -12.205 -4.713 7.262 1.00 0.00 C ATOM 228 O MET A 18 -13.136 -3.908 7.278 1.00 0.00 O ATOM 229 CB MET A 18 -9.880 -4.326 8.100 1.00 0.00 C ATOM 230 CG MET A 18 -9.891 -2.916 7.532 1.00 0.00 C ATOM 231 SD MET A 18 -8.257 -2.366 7.006 1.00 0.00 S ATOM 232 CE MET A 18 -8.124 -3.174 5.414 1.00 0.00 C ATOM 0 H MET A 18 -10.279 -6.675 8.754 1.00 0.00 H new ATOM 0 HA MET A 18 -11.674 -4.259 9.282 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.252 -4.345 8.990 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.424 -4.998 7.373 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.574 -2.876 6.684 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.277 -2.228 8.285 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.178 -2.901 4.945 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.163 -4.255 5.550 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.949 -2.859 4.776 1.00 0.00 H new ATOM 242 N ARG A 19 -11.950 -5.504 6.225 1.00 0.00 N ATOM 243 CA ARG A 19 -12.767 -5.468 5.018 1.00 0.00 C ATOM 244 C ARG A 19 -14.252 -5.434 5.368 1.00 0.00 C ATOM 245 O ARG A 19 -15.063 -4.883 4.624 1.00 0.00 O ATOM 246 CB ARG A 19 -12.467 -6.683 4.137 1.00 0.00 C ATOM 247 CG ARG A 19 -11.112 -6.619 3.453 1.00 0.00 C ATOM 248 CD ARG A 19 -10.833 -7.880 2.650 1.00 0.00 C ATOM 249 NE ARG A 19 -10.214 -8.922 3.465 1.00 0.00 N ATOM 250 CZ ARG A 19 -9.635 -10.004 2.957 1.00 0.00 C ATOM 251 NH1 ARG A 19 -9.595 -10.185 1.644 1.00 0.00 N ATOM 252 NH2 ARG A 19 -9.094 -10.908 3.764 1.00 0.00 N ATOM 0 H ARG A 19 -11.184 -6.177 6.196 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.520 -4.560 4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.514 -7.585 4.748 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.244 -6.771 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.077 -5.751 2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.331 -6.483 4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.766 -8.255 2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.179 -7.639 1.812 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.227 -8.813 4.479 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.010 -9.492 1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.150 -11.017 1.257 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.123 -10.772 4.774 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.649 -11.739 3.374 1.00 0.00 H new ATOM 266 N ASN A 20 -14.601 -6.029 6.504 1.00 0.00 N ATOM 267 CA ASN A 20 -15.988 -6.068 6.952 1.00 0.00 C ATOM 268 C ASN A 20 -16.481 -4.671 7.317 1.00 0.00 C ATOM 269 O ASN A 20 -17.293 -4.082 6.603 1.00 0.00 O ATOM 270 CB ASN A 20 -16.132 -7.002 8.155 1.00 0.00 C ATOM 271 CG ASN A 20 -16.100 -8.465 7.757 1.00 0.00 C ATOM 272 OD1 ASN A 20 -16.724 -8.867 6.774 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.372 -9.271 8.522 1.00 0.00 N ATOM 0 H ASN A 20 -13.942 -6.491 7.131 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.598 -6.447 6.132 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.328 -6.803 8.864 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -17.070 -6.788 8.668 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.314 -10.266 8.304 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.871 -8.895 9.327 1.00 0.00 H new ATOM 280 N ASP A 21 -15.985 -4.148 8.433 1.00 0.00 N ATOM 281 CA ASP A 21 -16.373 -2.819 8.893 1.00 0.00 C ATOM 282 C ASP A 21 -16.013 -1.759 7.857 1.00 0.00 C ATOM 283 O ASP A 21 -16.584 -0.668 7.848 1.00 0.00 O ATOM 284 CB ASP A 21 -15.695 -2.499 10.226 1.00 0.00 C ATOM 285 CG ASP A 21 -16.532 -1.583 11.096 1.00 0.00 C ATOM 286 OD1 ASP A 21 -16.469 -0.352 10.895 1.00 0.00 O ATOM 287 OD2 ASP A 21 -17.251 -2.097 11.979 1.00 0.00 O ATOM 0 H ASP A 21 -15.314 -4.624 9.036 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.454 -2.811 9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.500 -3.427 10.763 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.729 -2.032 10.036 1.00 0.00 H new ATOM 292 N ILE A 22 -15.063 -2.087 6.988 1.00 0.00 N ATOM 293 CA ILE A 22 -14.627 -1.162 5.948 1.00 0.00 C ATOM 294 C ILE A 22 -15.565 -1.205 4.746 1.00 0.00 C ATOM 295 O ILE A 22 -15.832 -0.182 4.118 1.00 0.00 O ATOM 296 CB ILE A 22 -13.195 -1.477 5.480 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.175 -0.764 6.370 1.00 0.00 C ATOM 298 CG2 ILE A 22 -13.012 -1.070 4.025 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.220 0.743 6.253 1.00 0.00 C ATOM 0 H ILE A 22 -14.580 -2.986 6.983 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.646 -0.163 6.385 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.031 -2.552 5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.352 -1.045 7.408 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.174 -1.111 6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.994 -1.299 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.718 -1.619 3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.192 -0.000 3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.470 1.182 6.912 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.013 1.034 5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.209 1.101 6.540 1.00 0.00 H new ATOM 311 N ALA A 23 -16.062 -2.397 4.433 1.00 0.00 N ATOM 312 CA ALA A 23 -16.973 -2.573 3.309 1.00 0.00 C ATOM 313 C ALA A 23 -18.401 -2.207 3.697 1.00 0.00 C ATOM 314 O ALA A 23 -19.236 -1.929 2.836 1.00 0.00 O ATOM 315 CB ALA A 23 -16.913 -4.006 2.801 1.00 0.00 C ATOM 0 H ALA A 23 -15.849 -3.255 4.942 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.658 -1.902 2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.598 -4.123 1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.898 -4.234 2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.200 -4.688 3.601 1.00 0.00 H new ATOM 321 N SER A 24 -18.676 -2.210 4.997 1.00 0.00 N ATOM 322 CA SER A 24 -20.005 -1.882 5.499 1.00 0.00 C ATOM 323 C SER A 24 -20.083 -0.416 5.914 1.00 0.00 C ATOM 324 O SER A 24 -21.119 0.232 5.756 1.00 0.00 O ATOM 325 CB SER A 24 -20.361 -2.779 6.686 1.00 0.00 C ATOM 326 OG SER A 24 -21.765 -2.917 6.818 1.00 0.00 O ATOM 0 H SER A 24 -17.996 -2.436 5.722 1.00 0.00 H new ATOM 0 HA SER A 24 -20.722 -2.053 4.696 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.907 -3.761 6.553 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.946 -2.357 7.602 1.00 0.00 H new ATOM 0 HG SER A 24 -21.966 -3.496 7.583 1.00 0.00 H new ATOM 332 N HIS A 25 -18.980 0.102 6.444 1.00 0.00 N ATOM 333 CA HIS A 25 -18.921 1.492 6.882 1.00 0.00 C ATOM 334 C HIS A 25 -17.684 2.187 6.321 1.00 0.00 C ATOM 335 O HIS A 25 -16.884 2.770 7.054 1.00 0.00 O ATOM 336 CB HIS A 25 -18.916 1.569 8.409 1.00 0.00 C ATOM 337 CG HIS A 25 -20.285 1.532 9.015 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.732 2.470 9.922 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.309 0.664 8.838 1.00 0.00 C ATOM 340 CE1 HIS A 25 -21.971 2.179 10.278 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.344 1.088 9.634 1.00 0.00 N ATOM 0 H HIS A 25 -18.114 -0.420 6.581 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.806 2.004 6.504 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.330 0.739 8.804 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.416 2.487 8.717 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -21.311 -0.201 8.191 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.576 2.738 10.977 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.254 0.634 9.715 1.00 0.00 H new ATOM 349 N PRO A 26 -17.520 2.124 4.992 1.00 0.00 N ATOM 350 CA PRO A 26 -16.382 2.741 4.304 1.00 0.00 C ATOM 351 C PRO A 26 -16.145 4.179 4.751 1.00 0.00 C ATOM 352 O PRO A 26 -17.072 4.901 5.118 1.00 0.00 O ATOM 353 CB PRO A 26 -16.793 2.699 2.830 1.00 0.00 C ATOM 354 CG PRO A 26 -17.740 1.554 2.734 1.00 0.00 C ATOM 355 CD PRO A 26 -18.434 1.446 4.057 1.00 0.00 C ATOM 0 HA PRO A 26 -15.448 2.221 4.515 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.267 3.632 2.524 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.929 2.553 2.182 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.461 1.716 1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.207 0.632 2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.412 1.926 4.036 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.596 0.406 4.340 1.00 0.00 H new ATOM 363 N PRO A 27 -14.875 4.608 4.719 1.00 0.00 N ATOM 364 CA PRO A 27 -14.487 5.965 5.117 1.00 0.00 C ATOM 365 C PRO A 27 -14.971 7.019 4.127 1.00 0.00 C ATOM 366 O PRO A 27 -15.312 6.705 2.987 1.00 0.00 O ATOM 367 CB PRO A 27 -12.957 5.907 5.131 1.00 0.00 C ATOM 368 CG PRO A 27 -12.611 4.813 4.181 1.00 0.00 C ATOM 369 CD PRO A 27 -13.719 3.802 4.292 1.00 0.00 C ATOM 0 HA PRO A 27 -14.925 6.250 6.073 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.522 6.856 4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.578 5.697 6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.529 5.192 3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.649 4.367 4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.906 3.304 3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.482 3.024 5.017 1.00 0.00 H new ATOM 377 N VAL A 28 -14.997 8.272 4.570 1.00 0.00 N ATOM 378 CA VAL A 28 -15.438 9.374 3.723 1.00 0.00 C ATOM 379 C VAL A 28 -14.341 9.791 2.749 1.00 0.00 C ATOM 380 O VAL A 28 -13.250 10.183 3.160 1.00 0.00 O ATOM 381 CB VAL A 28 -15.855 10.596 4.562 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.176 11.779 3.661 1.00 0.00 C ATOM 383 CG2 VAL A 28 -17.043 10.253 5.448 1.00 0.00 C ATOM 0 H VAL A 28 -14.718 8.549 5.511 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.302 9.016 3.163 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.020 10.876 5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.469 12.633 4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.295 12.038 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.994 11.515 2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.324 11.128 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -17.884 9.947 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.773 9.438 6.120 1.00 0.00 H new ATOM 393 N GLU A 29 -14.641 9.704 1.456 1.00 0.00 N ATOM 394 CA GLU A 29 -13.679 10.072 0.424 1.00 0.00 C ATOM 395 C GLU A 29 -13.307 11.548 0.529 1.00 0.00 C ATOM 396 O GLU A 29 -14.154 12.426 0.370 1.00 0.00 O ATOM 397 CB GLU A 29 -14.250 9.776 -0.965 1.00 0.00 C ATOM 398 CG GLU A 29 -15.288 10.786 -1.424 1.00 0.00 C ATOM 399 CD GLU A 29 -16.113 10.284 -2.593 1.00 0.00 C ATOM 400 OE1 GLU A 29 -15.556 9.561 -3.445 1.00 0.00 O ATOM 401 OE2 GLU A 29 -17.315 10.615 -2.655 1.00 0.00 O ATOM 0 H GLU A 29 -15.541 9.382 1.099 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.778 9.477 0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.434 9.753 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.699 8.783 -0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.951 11.024 -0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.788 11.712 -1.708 1.00 0.00 H new ATOM 408 N GLY A 30 -12.032 11.813 0.798 1.00 0.00 N ATOM 409 CA GLY A 30 -11.569 13.183 0.920 1.00 0.00 C ATOM 410 C GLY A 30 -11.770 13.741 2.315 1.00 0.00 C ATOM 411 O GLY A 30 -11.943 14.947 2.490 1.00 0.00 O ATOM 0 H GLY A 30 -11.312 11.104 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.511 13.230 0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.100 13.808 0.202 1.00 0.00 H new ATOM 415 N SER A 31 -11.750 12.861 3.311 1.00 0.00 N ATOM 416 CA SER A 31 -11.937 13.271 4.698 1.00 0.00 C ATOM 417 C SER A 31 -10.624 13.190 5.471 1.00 0.00 C ATOM 418 O SER A 31 -10.324 14.050 6.299 1.00 0.00 O ATOM 419 CB SER A 31 -12.995 12.395 5.373 1.00 0.00 C ATOM 420 OG SER A 31 -13.160 12.753 6.734 1.00 0.00 O ATOM 0 H SER A 31 -11.606 11.859 3.183 1.00 0.00 H new ATOM 0 HA SER A 31 -12.277 14.307 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.945 12.498 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.703 11.347 5.302 1.00 0.00 H new ATOM 0 HG SER A 31 -13.842 12.180 7.143 1.00 0.00 H new ATOM 426 N TYR A 32 -9.846 12.149 5.194 1.00 0.00 N ATOM 427 CA TYR A 32 -8.566 11.953 5.864 1.00 0.00 C ATOM 428 C TYR A 32 -7.435 12.614 5.083 1.00 0.00 C ATOM 429 O TYR A 32 -7.302 12.418 3.875 1.00 0.00 O ATOM 430 CB TYR A 32 -8.279 10.460 6.033 1.00 0.00 C ATOM 431 CG TYR A 32 -6.817 10.146 6.259 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.924 10.103 5.196 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.330 9.893 7.535 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.588 9.815 5.397 1.00 0.00 C ATOM 435 CE2 TYR A 32 -4.995 9.607 7.746 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.128 9.568 6.674 1.00 0.00 C ATOM 437 OH TYR A 32 -2.798 9.283 6.879 1.00 0.00 O ATOM 0 H TYR A 32 -10.079 11.429 4.511 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.625 12.419 6.848 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.858 10.080 6.875 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.623 9.930 5.145 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.280 10.298 4.195 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.006 9.920 8.376 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.907 9.783 4.559 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.632 9.415 8.745 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.546 8.498 6.349 1.00 0.00 H new ATOM 447 N ALA A 33 -6.621 13.398 5.782 1.00 0.00 N ATOM 448 CA ALA A 33 -5.499 14.087 5.156 1.00 0.00 C ATOM 449 C ALA A 33 -4.204 13.303 5.338 1.00 0.00 C ATOM 450 O ALA A 33 -3.672 13.184 6.442 1.00 0.00 O ATOM 451 CB ALA A 33 -5.355 15.489 5.728 1.00 0.00 C ATOM 0 H ALA A 33 -6.718 13.572 6.782 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.701 14.162 4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.513 15.992 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.268 16.054 5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.180 15.428 6.802 1.00 0.00 H new ATOM 457 N PRO A 34 -3.682 12.756 4.230 1.00 0.00 N ATOM 458 CA PRO A 34 -2.442 11.974 4.242 1.00 0.00 C ATOM 459 C PRO A 34 -1.215 12.838 4.511 1.00 0.00 C ATOM 460 O PRO A 34 -1.029 13.882 3.885 1.00 0.00 O ATOM 461 CB PRO A 34 -2.381 11.384 2.831 1.00 0.00 C ATOM 462 CG PRO A 34 -3.172 12.327 1.991 1.00 0.00 C ATOM 463 CD PRO A 34 -4.262 12.858 2.880 1.00 0.00 C ATOM 0 HA PRO A 34 -2.441 11.224 5.033 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.353 11.307 2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.803 10.380 2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.545 13.136 1.616 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.590 11.819 1.122 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.519 13.887 2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.176 12.271 2.790 1.00 0.00 H new ATOM 471 N ARG A 35 -0.379 12.396 5.445 1.00 0.00 N ATOM 472 CA ARG A 35 0.831 13.129 5.797 1.00 0.00 C ATOM 473 C ARG A 35 2.070 12.260 5.602 1.00 0.00 C ATOM 474 O ARG A 35 2.016 11.041 5.760 1.00 0.00 O ATOM 475 CB ARG A 35 0.756 13.612 7.247 1.00 0.00 C ATOM 476 CG ARG A 35 -0.483 14.438 7.551 1.00 0.00 C ATOM 477 CD ARG A 35 -0.320 15.878 7.091 1.00 0.00 C ATOM 478 NE ARG A 35 -0.764 16.065 5.712 1.00 0.00 N ATOM 479 CZ ARG A 35 -0.472 17.138 4.986 1.00 0.00 C ATOM 480 NH1 ARG A 35 0.260 18.115 5.504 1.00 0.00 N ATOM 481 NH2 ARG A 35 -0.913 17.236 3.738 1.00 0.00 N ATOM 0 H ARG A 35 -0.518 11.534 5.972 1.00 0.00 H new ATOM 0 HA ARG A 35 0.908 13.993 5.137 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.778 12.747 7.910 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.642 14.207 7.469 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.348 13.993 7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.681 14.418 8.623 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.890 16.535 7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.727 16.170 7.178 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.329 15.332 5.283 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.601 18.044 6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.482 18.938 4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.477 16.487 3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.688 18.060 3.181 1.00 0.00 H new ATOM 495 N ARG A 36 3.184 12.897 5.257 1.00 0.00 N ATOM 496 CA ARG A 36 4.436 12.182 5.039 1.00 0.00 C ATOM 497 C ARG A 36 4.871 11.449 6.304 1.00 0.00 C ATOM 498 O ARG A 36 5.220 12.072 7.306 1.00 0.00 O ATOM 499 CB ARG A 36 5.532 13.154 4.597 1.00 0.00 C ATOM 500 CG ARG A 36 6.867 12.481 4.320 1.00 0.00 C ATOM 501 CD ARG A 36 7.669 13.242 3.277 1.00 0.00 C ATOM 502 NE ARG A 36 8.490 14.291 3.876 1.00 0.00 N ATOM 503 CZ ARG A 36 9.126 15.220 3.170 1.00 0.00 C ATOM 504 NH1 ARG A 36 9.034 15.231 1.848 1.00 0.00 N ATOM 505 NH2 ARG A 36 9.854 16.141 3.788 1.00 0.00 N ATOM 0 H ARG A 36 3.245 13.906 5.122 1.00 0.00 H new ATOM 0 HA ARG A 36 4.273 11.446 4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.203 13.674 3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.669 13.910 5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.441 12.415 5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.697 11.461 3.976 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.309 12.547 2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.989 13.685 2.549 1.00 0.00 H new ATOM 0 HE ARG A 36 8.580 14.312 4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.474 14.525 1.370 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.523 15.945 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.926 16.136 4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.342 16.854 3.246 1.00 0.00 H new ATOM 519 N GLY A 37 4.848 10.120 6.250 1.00 0.00 N ATOM 520 CA GLY A 37 5.241 9.324 7.398 1.00 0.00 C ATOM 521 C GLY A 37 4.065 8.958 8.280 1.00 0.00 C ATOM 522 O GLY A 37 4.208 8.834 9.496 1.00 0.00 O ATOM 0 H GLY A 37 4.564 9.581 5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.730 8.413 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.974 9.877 7.986 1.00 0.00 H new ATOM 526 N GLU A 38 2.898 8.785 7.667 1.00 0.00 N ATOM 527 CA GLU A 38 1.691 8.434 8.406 1.00 0.00 C ATOM 528 C GLU A 38 1.044 7.179 7.826 1.00 0.00 C ATOM 529 O GLU A 38 1.054 6.966 6.614 1.00 0.00 O ATOM 530 CB GLU A 38 0.694 9.594 8.380 1.00 0.00 C ATOM 531 CG GLU A 38 0.865 10.569 9.533 1.00 0.00 C ATOM 532 CD GLU A 38 0.435 9.981 10.863 1.00 0.00 C ATOM 533 OE1 GLU A 38 -0.762 9.658 11.011 1.00 0.00 O ATOM 534 OE2 GLU A 38 1.297 9.843 11.757 1.00 0.00 O ATOM 0 H GLU A 38 2.763 8.882 6.661 1.00 0.00 H new ATOM 0 HA GLU A 38 1.974 8.232 9.439 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.802 10.134 7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.319 9.192 8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.910 10.873 9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.283 11.469 9.333 1.00 0.00 H new ATOM 541 N PHE A 39 0.482 6.352 8.701 1.00 0.00 N ATOM 542 CA PHE A 39 -0.169 5.118 8.278 1.00 0.00 C ATOM 543 C PHE A 39 -1.652 5.350 8.007 1.00 0.00 C ATOM 544 O PHE A 39 -2.276 6.222 8.614 1.00 0.00 O ATOM 545 CB PHE A 39 0.003 4.034 9.344 1.00 0.00 C ATOM 546 CG PHE A 39 1.372 3.416 9.356 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.714 2.440 8.433 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.317 3.810 10.289 1.00 0.00 C ATOM 549 CE1 PHE A 39 2.973 1.870 8.442 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.577 3.243 10.303 1.00 0.00 C ATOM 551 CZ PHE A 39 3.906 2.272 9.377 1.00 0.00 C ATOM 0 H PHE A 39 0.464 6.514 9.708 1.00 0.00 H new ATOM 0 HA PHE A 39 0.303 4.787 7.353 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.201 4.464 10.324 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.738 3.252 9.178 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.989 2.122 7.699 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.066 4.570 11.014 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.227 1.110 7.718 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.304 3.559 11.037 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.891 1.828 9.384 1.00 0.00 H new ATOM 561 N CYS A 40 -2.211 4.566 7.092 1.00 0.00 N ATOM 562 CA CYS A 40 -3.621 4.686 6.739 1.00 0.00 C ATOM 563 C CYS A 40 -4.047 3.556 5.808 1.00 0.00 C ATOM 564 O CYS A 40 -3.239 2.700 5.446 1.00 0.00 O ATOM 565 CB CYS A 40 -3.888 6.038 6.075 1.00 0.00 C ATOM 566 SG CYS A 40 -2.648 6.516 4.849 1.00 0.00 S ATOM 0 H CYS A 40 -1.709 3.840 6.581 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.207 4.617 7.656 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.866 6.008 5.594 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.936 6.807 6.847 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.961 7.672 4.343 1.00 0.00 H new ATOM 572 N ILE A 41 -5.319 3.559 5.427 1.00 0.00 N ATOM 573 CA ILE A 41 -5.852 2.533 4.539 1.00 0.00 C ATOM 574 C ILE A 41 -6.083 3.086 3.136 1.00 0.00 C ATOM 575 O ILE A 41 -6.649 4.166 2.969 1.00 0.00 O ATOM 576 CB ILE A 41 -7.176 1.956 5.075 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.220 3.065 5.219 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.948 1.260 6.409 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.588 2.559 5.618 1.00 0.00 C ATOM 0 H ILE A 41 -6.000 4.260 5.719 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.109 1.737 4.496 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.550 1.221 4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.876 3.783 5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.301 3.601 4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.892 0.857 6.775 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.233 0.447 6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.555 1.976 7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.277 3.400 5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.954 1.864 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.521 2.048 6.579 1.00 0.00 H new ATOM 591 N ALA A 42 -5.643 2.336 2.131 1.00 0.00 N ATOM 592 CA ALA A 42 -5.805 2.749 0.743 1.00 0.00 C ATOM 593 C ALA A 42 -6.738 1.804 -0.006 1.00 0.00 C ATOM 594 O ALA A 42 -6.767 0.602 0.261 1.00 0.00 O ATOM 595 CB ALA A 42 -4.451 2.815 0.050 1.00 0.00 C ATOM 0 H ALA A 42 -5.172 1.440 2.252 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.254 3.742 0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.587 3.125 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.814 3.535 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.981 1.832 0.076 1.00 0.00 H new ATOM 601 N LYS A 43 -7.501 2.353 -0.944 1.00 0.00 N ATOM 602 CA LYS A 43 -8.437 1.560 -1.733 1.00 0.00 C ATOM 603 C LYS A 43 -7.772 1.039 -3.003 1.00 0.00 C ATOM 604 O LYS A 43 -7.240 1.812 -3.799 1.00 0.00 O ATOM 605 CB LYS A 43 -9.667 2.394 -2.094 1.00 0.00 C ATOM 606 CG LYS A 43 -10.937 1.574 -2.239 1.00 0.00 C ATOM 607 CD LYS A 43 -12.168 2.461 -2.318 1.00 0.00 C ATOM 608 CE LYS A 43 -13.423 1.712 -1.898 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.636 2.228 -2.591 1.00 0.00 N ATOM 0 H LYS A 43 -7.490 3.346 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.749 0.707 -1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.820 3.152 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.476 2.921 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.873 0.958 -3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.031 0.894 -1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.032 3.332 -1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.287 2.830 -3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.303 0.651 -2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.555 1.801 -0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.470 1.691 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.765 3.234 -2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.521 2.119 -3.619 1.00 0.00 H new ATOM 623 N PHE A 44 -7.806 -0.277 -3.186 1.00 0.00 N ATOM 624 CA PHE A 44 -7.207 -0.901 -4.360 1.00 0.00 C ATOM 625 C PHE A 44 -8.166 -0.862 -5.546 1.00 0.00 C ATOM 626 O PHE A 44 -9.383 -0.790 -5.373 1.00 0.00 O ATOM 627 CB PHE A 44 -6.819 -2.349 -4.052 1.00 0.00 C ATOM 628 CG PHE A 44 -5.766 -2.896 -4.973 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.546 -2.255 -5.111 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.997 -4.052 -5.701 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.576 -2.756 -5.959 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.031 -4.559 -6.550 1.00 0.00 C ATOM 633 CZ PHE A 44 -3.819 -3.910 -6.678 1.00 0.00 C ATOM 0 H PHE A 44 -8.242 -0.932 -2.536 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.310 -0.339 -4.621 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.459 -2.410 -3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.708 -2.976 -4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.350 -1.353 -4.550 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.943 -4.563 -5.604 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.629 -2.246 -6.059 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.224 -5.461 -7.112 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.062 -4.304 -7.340 1.00 0.00 H new ATOM 643 N VAL A 45 -7.609 -0.909 -6.752 1.00 0.00 N ATOM 644 CA VAL A 45 -8.414 -0.879 -7.968 1.00 0.00 C ATOM 645 C VAL A 45 -9.576 -1.861 -7.881 1.00 0.00 C ATOM 646 O VAL A 45 -10.562 -1.738 -8.609 1.00 0.00 O ATOM 647 CB VAL A 45 -7.566 -1.212 -9.210 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.388 -0.256 -9.324 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.089 -2.655 -9.158 1.00 0.00 C ATOM 0 H VAL A 45 -6.604 -0.968 -6.913 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.805 0.134 -8.065 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.188 -1.091 -10.097 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.800 -0.506 -10.207 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.756 0.766 -9.411 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.762 -0.342 -8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.491 -2.873 -10.043 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.483 -2.806 -8.265 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.950 -3.322 -9.129 1.00 0.00 H new ATOM 659 N ASP A 46 -9.455 -2.836 -6.987 1.00 0.00 N ATOM 660 CA ASP A 46 -10.497 -3.839 -6.804 1.00 0.00 C ATOM 661 C ASP A 46 -11.410 -3.468 -5.639 1.00 0.00 C ATOM 662 O ASP A 46 -12.020 -4.335 -5.015 1.00 0.00 O ATOM 663 CB ASP A 46 -9.873 -5.215 -6.561 1.00 0.00 C ATOM 664 CG ASP A 46 -9.482 -5.909 -7.851 1.00 0.00 C ATOM 665 OD1 ASP A 46 -8.357 -5.666 -8.338 1.00 0.00 O ATOM 666 OD2 ASP A 46 -10.300 -6.694 -8.373 1.00 0.00 O ATOM 0 H ASP A 46 -8.645 -2.953 -6.378 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.096 -3.876 -7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.991 -5.105 -5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.580 -5.840 -6.015 1.00 0.00 H new ATOM 671 N GLY A 47 -11.498 -2.173 -5.352 1.00 0.00 N ATOM 672 CA GLY A 47 -12.337 -1.711 -4.262 1.00 0.00 C ATOM 673 C GLY A 47 -12.007 -2.390 -2.948 1.00 0.00 C ATOM 674 O GLY A 47 -12.873 -2.540 -2.086 1.00 0.00 O ATOM 0 H GLY A 47 -11.004 -1.436 -5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.220 -0.633 -4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.383 -1.894 -4.510 1.00 0.00 H new ATOM 678 N GLU A 48 -10.753 -2.802 -2.795 1.00 0.00 N ATOM 679 CA GLU A 48 -10.313 -3.472 -1.576 1.00 0.00 C ATOM 680 C GLU A 48 -9.358 -2.584 -0.782 1.00 0.00 C ATOM 681 O GLU A 48 -8.318 -2.164 -1.289 1.00 0.00 O ATOM 682 CB GLU A 48 -9.630 -4.799 -1.915 1.00 0.00 C ATOM 683 CG GLU A 48 -10.594 -5.879 -2.376 1.00 0.00 C ATOM 684 CD GLU A 48 -11.218 -6.636 -1.220 1.00 0.00 C ATOM 685 OE1 GLU A 48 -11.892 -5.995 -0.386 1.00 0.00 O ATOM 686 OE2 GLU A 48 -11.031 -7.869 -1.148 1.00 0.00 O ATOM 0 H GLU A 48 -10.024 -2.684 -3.499 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.192 -3.670 -0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.889 -4.628 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.091 -5.155 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.383 -5.425 -2.976 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.066 -6.580 -3.022 1.00 0.00 H new ATOM 693 N TRP A 49 -9.720 -2.304 0.464 1.00 0.00 N ATOM 694 CA TRP A 49 -8.897 -1.466 1.329 1.00 0.00 C ATOM 695 C TRP A 49 -7.712 -2.251 1.880 1.00 0.00 C ATOM 696 O TRP A 49 -7.834 -3.434 2.200 1.00 0.00 O ATOM 697 CB TRP A 49 -9.734 -0.907 2.480 1.00 0.00 C ATOM 698 CG TRP A 49 -10.724 0.131 2.046 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.014 -0.080 1.651 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.502 1.543 1.961 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.608 1.116 1.326 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.702 2.127 1.509 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.408 2.372 2.226 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.835 3.499 1.314 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.542 3.733 2.032 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.747 4.286 1.581 1.00 0.00 C ATOM 0 H TRP A 49 -10.578 -2.645 0.899 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.514 -0.638 0.733 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.266 -1.726 2.964 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.068 -0.474 3.227 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.497 -1.045 1.601 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.568 1.232 1.001 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.475 1.956 2.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.763 3.927 0.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.702 4.382 2.232 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.819 5.354 1.441 1.00 0.00 H new ATOM 717 N TYR A 50 -6.566 -1.587 1.988 1.00 0.00 N ATOM 718 CA TYR A 50 -5.359 -2.225 2.498 1.00 0.00 C ATOM 719 C TYR A 50 -4.517 -1.235 3.298 1.00 0.00 C ATOM 720 O TYR A 50 -4.632 -0.022 3.124 1.00 0.00 O ATOM 721 CB TYR A 50 -4.533 -2.798 1.345 1.00 0.00 C ATOM 722 CG TYR A 50 -5.232 -3.908 0.594 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.395 -5.165 1.163 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.731 -3.700 -0.687 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.032 -6.182 0.480 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.371 -4.711 -1.377 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.519 -5.950 -0.790 1.00 0.00 C ATOM 728 OH TYR A 50 -7.156 -6.960 -1.474 1.00 0.00 O ATOM 0 H TYR A 50 -6.448 -0.607 1.729 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.660 -3.038 3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.291 -1.995 0.648 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.589 -3.175 1.738 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.017 -5.350 2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.616 -2.731 -1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.148 -7.153 0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.753 -4.532 -2.371 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.439 -6.632 -2.353 1.00 0.00 H new ATOM 738 N ARG A 51 -3.670 -1.763 4.176 1.00 0.00 N ATOM 739 CA ARG A 51 -2.808 -0.928 5.004 1.00 0.00 C ATOM 740 C ARG A 51 -1.633 -0.388 4.193 1.00 0.00 C ATOM 741 O ARG A 51 -0.963 -1.134 3.480 1.00 0.00 O ATOM 742 CB ARG A 51 -2.291 -1.724 6.203 1.00 0.00 C ATOM 743 CG ARG A 51 -3.230 -1.704 7.398 1.00 0.00 C ATOM 744 CD ARG A 51 -2.479 -1.927 8.701 1.00 0.00 C ATOM 745 NE ARG A 51 -2.391 -3.343 9.047 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.446 -4.155 8.587 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.512 -3.692 7.767 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.432 -5.432 8.947 1.00 0.00 N ATOM 0 H ARG A 51 -3.562 -2.765 4.332 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.397 -0.084 5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.126 -2.758 5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.324 -1.323 6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.751 -0.747 7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.990 -2.476 7.278 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.475 -1.512 8.616 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.980 -1.388 9.505 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.094 -3.730 9.677 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.519 -2.711 7.489 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.213 -4.317 7.415 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.148 -5.792 9.578 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.705 -6.054 8.593 1.00 0.00 H new ATOM 762 N ALA A 52 -1.391 0.914 4.309 1.00 0.00 N ATOM 763 CA ALA A 52 -0.297 1.554 3.589 1.00 0.00 C ATOM 764 C ALA A 52 0.234 2.760 4.356 1.00 0.00 C ATOM 765 O ALA A 52 -0.511 3.430 5.071 1.00 0.00 O ATOM 766 CB ALA A 52 -0.752 1.970 2.198 1.00 0.00 C ATOM 0 H ALA A 52 -1.938 1.546 4.894 1.00 0.00 H new ATOM 0 HA ALA A 52 0.513 0.831 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.075 2.447 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.076 1.090 1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.582 2.672 2.281 1.00 0.00 H new ATOM 772 N ARG A 53 1.527 3.030 4.204 1.00 0.00 N ATOM 773 CA ARG A 53 2.158 4.154 4.884 1.00 0.00 C ATOM 774 C ARG A 53 2.520 5.256 3.893 1.00 0.00 C ATOM 775 O ARG A 53 3.271 5.029 2.944 1.00 0.00 O ATOM 776 CB ARG A 53 3.412 3.689 5.627 1.00 0.00 C ATOM 777 CG ARG A 53 4.038 4.766 6.498 1.00 0.00 C ATOM 778 CD ARG A 53 5.247 4.238 7.254 1.00 0.00 C ATOM 779 NE ARG A 53 5.433 4.920 8.532 1.00 0.00 N ATOM 780 CZ ARG A 53 6.334 4.552 9.437 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.127 3.515 9.204 1.00 0.00 N ATOM 782 NH2 ARG A 53 6.444 5.223 10.576 1.00 0.00 N ATOM 0 H ARG A 53 2.157 2.485 3.616 1.00 0.00 H new ATOM 0 HA ARG A 53 1.446 4.557 5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.158 2.832 6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.149 3.347 4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.336 5.610 5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.298 5.138 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.127 3.169 7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.140 4.364 6.642 1.00 0.00 H new ATOM 0 HE ARG A 53 4.839 5.722 8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.046 2.998 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.818 3.235 9.900 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.837 6.022 10.758 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.136 4.940 11.270 1.00 0.00 H new ATOM 796 N VAL A 54 1.981 6.450 4.119 1.00 0.00 N ATOM 797 CA VAL A 54 2.248 7.587 3.247 1.00 0.00 C ATOM 798 C VAL A 54 3.746 7.789 3.050 1.00 0.00 C ATOM 799 O VAL A 54 4.483 8.020 4.008 1.00 0.00 O ATOM 800 CB VAL A 54 1.637 8.883 3.811 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.996 10.071 2.932 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.128 8.745 3.945 1.00 0.00 C ATOM 0 H VAL A 54 1.357 6.655 4.899 1.00 0.00 H new ATOM 0 HA VAL A 54 1.785 7.364 2.286 1.00 0.00 H new ATOM 0 HB VAL A 54 2.053 9.058 4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.555 10.977 3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.080 10.180 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.611 9.908 1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.288 9.670 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.307 8.545 2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.103 7.921 4.620 1.00 0.00 H new ATOM 812 N GLU A 55 4.190 7.700 1.800 1.00 0.00 N ATOM 813 CA GLU A 55 5.602 7.873 1.477 1.00 0.00 C ATOM 814 C GLU A 55 5.888 9.306 1.038 1.00 0.00 C ATOM 815 O GLU A 55 6.872 9.914 1.462 1.00 0.00 O ATOM 816 CB GLU A 55 6.019 6.897 0.375 1.00 0.00 C ATOM 817 CG GLU A 55 5.741 5.442 0.713 1.00 0.00 C ATOM 818 CD GLU A 55 6.105 4.501 -0.418 1.00 0.00 C ATOM 819 OE1 GLU A 55 5.427 4.540 -1.466 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.070 3.724 -0.255 1.00 0.00 O ATOM 0 H GLU A 55 3.593 7.509 0.995 1.00 0.00 H new ATOM 0 HA GLU A 55 6.182 7.664 2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.493 7.154 -0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.084 7.018 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.303 5.166 1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.684 5.324 0.953 1.00 0.00 H new ATOM 827 N LYS A 56 5.022 9.841 0.184 1.00 0.00 N ATOM 828 CA LYS A 56 5.179 11.203 -0.314 1.00 0.00 C ATOM 829 C LYS A 56 3.836 11.781 -0.750 1.00 0.00 C ATOM 830 O LYS A 56 3.215 11.290 -1.692 1.00 0.00 O ATOM 831 CB LYS A 56 6.162 11.229 -1.486 1.00 0.00 C ATOM 832 CG LYS A 56 5.869 12.318 -2.502 1.00 0.00 C ATOM 833 CD LYS A 56 7.014 12.486 -3.487 1.00 0.00 C ATOM 834 CE LYS A 56 6.580 13.264 -4.720 1.00 0.00 C ATOM 835 NZ LYS A 56 7.706 13.468 -5.672 1.00 0.00 N ATOM 0 H LYS A 56 4.203 9.352 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 56 5.573 11.817 0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.172 11.367 -1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.142 10.261 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.955 12.075 -3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.692 13.261 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.840 13.004 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.385 11.506 -3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.773 12.729 -5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.181 14.232 -4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.424 14.153 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.534 13.831 -5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.948 12.563 -6.123 1.00 0.00 H new ATOM 849 N VAL A 57 3.395 12.827 -0.059 1.00 0.00 N ATOM 850 CA VAL A 57 2.128 13.474 -0.377 1.00 0.00 C ATOM 851 C VAL A 57 2.324 14.606 -1.379 1.00 0.00 C ATOM 852 O VAL A 57 2.831 15.672 -1.033 1.00 0.00 O ATOM 853 CB VAL A 57 1.451 14.034 0.888 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.057 14.550 0.564 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.396 12.973 1.977 1.00 0.00 C ATOM 0 H VAL A 57 3.897 13.245 0.725 1.00 0.00 H new ATOM 0 HA VAL A 57 1.485 12.711 -0.817 1.00 0.00 H new ATOM 0 HB VAL A 57 2.045 14.870 1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.406 14.942 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.127 15.343 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.550 13.735 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.915 13.386 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.826 12.115 1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.408 12.657 2.228 1.00 0.00 H new ATOM 865 N GLU A 58 1.919 14.366 -2.622 1.00 0.00 N ATOM 866 CA GLU A 58 2.052 15.366 -3.674 1.00 0.00 C ATOM 867 C GLU A 58 0.880 16.344 -3.646 1.00 0.00 C ATOM 868 O GLU A 58 1.057 17.533 -3.383 1.00 0.00 O ATOM 869 CB GLU A 58 2.133 14.690 -5.044 1.00 0.00 C ATOM 870 CG GLU A 58 3.531 14.220 -5.410 1.00 0.00 C ATOM 871 CD GLU A 58 4.429 15.357 -5.859 1.00 0.00 C ATOM 872 OE1 GLU A 58 4.118 16.522 -5.538 1.00 0.00 O ATOM 873 OE2 GLU A 58 5.443 15.079 -6.533 1.00 0.00 O ATOM 0 H GLU A 58 1.496 13.488 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 58 2.972 15.923 -3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.456 13.836 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.783 15.387 -5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.981 13.725 -4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.464 13.478 -6.206 1.00 0.00 H new ATOM 880 N SER A 59 -0.316 15.833 -3.920 1.00 0.00 N ATOM 881 CA SER A 59 -1.517 16.661 -3.931 1.00 0.00 C ATOM 882 C SER A 59 -2.742 15.845 -3.531 1.00 0.00 C ATOM 883 O SER A 59 -2.738 14.614 -3.563 1.00 0.00 O ATOM 884 CB SER A 59 -1.727 17.273 -5.317 1.00 0.00 C ATOM 885 OG SER A 59 -0.491 17.463 -5.983 1.00 0.00 O ATOM 0 H SER A 59 -0.479 14.850 -4.137 1.00 0.00 H new ATOM 0 HA SER A 59 -1.383 17.463 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.368 16.622 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.243 18.228 -5.222 1.00 0.00 H new ATOM 0 HG SER A 59 -0.652 17.854 -6.867 1.00 0.00 H new ATOM 891 N PRO A 60 -3.819 16.546 -3.145 1.00 0.00 N ATOM 892 CA PRO A 60 -5.072 15.909 -2.732 1.00 0.00 C ATOM 893 C PRO A 60 -5.526 14.832 -3.712 1.00 0.00 C ATOM 894 O PRO A 60 -6.365 13.994 -3.383 1.00 0.00 O ATOM 895 CB PRO A 60 -6.070 17.069 -2.713 1.00 0.00 C ATOM 896 CG PRO A 60 -5.238 18.281 -2.476 1.00 0.00 C ATOM 897 CD PRO A 60 -3.894 18.015 -3.082 1.00 0.00 C ATOM 0 HA PRO A 60 -4.973 15.398 -1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.613 17.140 -3.656 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.813 16.939 -1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.698 19.159 -2.929 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.147 18.483 -1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.806 18.462 -4.072 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.091 18.430 -2.472 1.00 0.00 H new ATOM 905 N ALA A 61 -4.965 14.861 -4.916 1.00 0.00 N ATOM 906 CA ALA A 61 -5.310 13.886 -5.943 1.00 0.00 C ATOM 907 C ALA A 61 -4.200 12.854 -6.115 1.00 0.00 C ATOM 908 O ALA A 61 -4.437 11.747 -6.600 1.00 0.00 O ATOM 909 CB ALA A 61 -5.590 14.587 -7.264 1.00 0.00 C ATOM 0 H ALA A 61 -4.270 15.549 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.211 13.363 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.846 13.847 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.421 15.281 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.703 15.137 -7.579 1.00 0.00 H new ATOM 915 N LYS A 62 -2.988 13.223 -5.716 1.00 0.00 N ATOM 916 CA LYS A 62 -1.840 12.330 -5.826 1.00 0.00 C ATOM 917 C LYS A 62 -1.157 12.154 -4.473 1.00 0.00 C ATOM 918 O LYS A 62 -0.638 13.113 -3.901 1.00 0.00 O ATOM 919 CB LYS A 62 -0.840 12.874 -6.847 1.00 0.00 C ATOM 920 CG LYS A 62 -1.346 12.828 -8.279 1.00 0.00 C ATOM 921 CD LYS A 62 -0.205 12.662 -9.269 1.00 0.00 C ATOM 922 CE LYS A 62 -0.714 12.249 -10.641 1.00 0.00 C ATOM 923 NZ LYS A 62 0.401 12.033 -11.604 1.00 0.00 N ATOM 0 H LYS A 62 -2.775 14.135 -5.313 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.199 11.357 -6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.596 13.905 -6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.084 12.301 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.049 12.003 -8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.892 13.744 -8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.346 13.599 -9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.494 11.912 -8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.299 11.333 -10.551 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.383 13.018 -11.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.013 11.753 -12.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.944 12.914 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.026 11.281 -11.249 1.00 0.00 H new ATOM 937 N ILE A 63 -1.160 10.925 -3.969 1.00 0.00 N ATOM 938 CA ILE A 63 -0.538 10.624 -2.686 1.00 0.00 C ATOM 939 C ILE A 63 0.290 9.346 -2.762 1.00 0.00 C ATOM 940 O ILE A 63 -0.255 8.246 -2.867 1.00 0.00 O ATOM 941 CB ILE A 63 -1.591 10.475 -1.571 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.694 11.522 -1.738 1.00 0.00 C ATOM 943 CG2 ILE A 63 -0.936 10.601 -0.204 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.296 12.901 -1.258 1.00 0.00 C ATOM 0 H ILE A 63 -1.586 10.121 -4.430 1.00 0.00 H new ATOM 0 HA ILE A 63 0.116 11.463 -2.448 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.041 9.485 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.973 11.579 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.579 11.197 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.693 10.494 0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.183 9.821 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.462 11.579 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.126 13.592 -1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.045 12.859 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.430 13.247 -1.823 1.00 0.00 H new ATOM 956 N HIS A 64 1.609 9.498 -2.707 1.00 0.00 N ATOM 957 CA HIS A 64 2.513 8.355 -2.767 1.00 0.00 C ATOM 958 C HIS A 64 2.441 7.536 -1.481 1.00 0.00 C ATOM 959 O HIS A 64 2.647 8.061 -0.387 1.00 0.00 O ATOM 960 CB HIS A 64 3.948 8.825 -3.005 1.00 0.00 C ATOM 961 CG HIS A 64 4.111 9.646 -4.248 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.995 9.319 -5.255 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.496 10.784 -4.644 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.917 10.222 -6.215 1.00 0.00 C ATOM 965 NE2 HIS A 64 4.014 11.122 -5.870 1.00 0.00 N ATOM 0 H HIS A 64 2.076 10.401 -2.621 1.00 0.00 H new ATOM 0 HA HIS A 64 2.203 7.722 -3.598 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.277 9.411 -2.147 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.601 7.955 -3.066 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.612 8.507 -5.258 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.738 11.326 -4.097 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.494 10.224 -7.128 1.00 0.00 H new ATOM 973 N VAL A 65 2.145 6.248 -1.622 1.00 0.00 N ATOM 974 CA VAL A 65 2.045 5.357 -0.472 1.00 0.00 C ATOM 975 C VAL A 65 2.633 3.986 -0.787 1.00 0.00 C ATOM 976 O VAL A 65 2.942 3.680 -1.939 1.00 0.00 O ATOM 977 CB VAL A 65 0.583 5.184 -0.021 1.00 0.00 C ATOM 978 CG1 VAL A 65 0.098 6.430 0.706 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.309 4.871 -1.213 1.00 0.00 C ATOM 0 H VAL A 65 1.970 5.798 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 65 2.614 5.817 0.335 1.00 0.00 H new ATOM 0 HB VAL A 65 0.531 4.344 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.937 6.290 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.720 6.605 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.163 7.289 0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.339 4.752 -0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.255 5.688 -1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.027 3.948 -1.686 1.00 0.00 H new ATOM 989 N PHE A 66 2.786 3.163 0.245 1.00 0.00 N ATOM 990 CA PHE A 66 3.338 1.823 0.079 1.00 0.00 C ATOM 991 C PHE A 66 2.565 0.809 0.917 1.00 0.00 C ATOM 992 O PHE A 66 2.452 0.950 2.134 1.00 0.00 O ATOM 993 CB PHE A 66 4.816 1.805 0.473 1.00 0.00 C ATOM 994 CG PHE A 66 5.359 0.424 0.701 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.915 -0.298 -0.343 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.315 -0.153 1.960 1.00 0.00 C ATOM 997 CE1 PHE A 66 6.414 -1.570 -0.136 1.00 0.00 C ATOM 998 CE2 PHE A 66 5.813 -1.425 2.174 1.00 0.00 C ATOM 999 CZ PHE A 66 6.365 -2.133 1.124 1.00 0.00 C ATOM 0 H PHE A 66 2.536 3.400 1.205 1.00 0.00 H new ATOM 0 HA PHE A 66 3.245 1.547 -0.971 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.398 2.291 -0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.949 2.393 1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.959 0.138 -1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.886 0.398 2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.842 -2.123 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.771 -1.864 3.160 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.758 -3.126 1.288 1.00 0.00 H new ATOM 1009 N TYR A 67 2.034 -0.214 0.255 1.00 0.00 N ATOM 1010 CA TYR A 67 1.269 -1.251 0.937 1.00 0.00 C ATOM 1011 C TYR A 67 2.169 -2.088 1.839 1.00 0.00 C ATOM 1012 O TYR A 67 3.018 -2.842 1.361 1.00 0.00 O ATOM 1013 CB TYR A 67 0.570 -2.152 -0.083 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.501 -1.445 -0.882 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.167 -0.556 -1.896 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.849 -1.667 -0.623 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.143 0.092 -2.628 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.831 -1.024 -1.351 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.473 -0.145 -2.352 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.448 0.498 -3.080 1.00 0.00 O ATOM 0 H TYR A 67 2.120 -0.347 -0.753 1.00 0.00 H new ATOM 0 HA TYR A 67 0.517 -0.763 1.557 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.315 -2.557 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.123 -2.998 0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.874 -0.368 -2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.133 -2.354 0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.866 0.781 -3.412 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.874 -1.208 -1.138 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.332 0.220 -2.761 1.00 0.00 H new ATOM 1030 N ILE A 68 1.978 -1.951 3.147 1.00 0.00 N ATOM 1031 CA ILE A 68 2.771 -2.695 4.117 1.00 0.00 C ATOM 1032 C ILE A 68 2.214 -4.100 4.321 1.00 0.00 C ATOM 1033 O ILE A 68 2.512 -4.759 5.317 1.00 0.00 O ATOM 1034 CB ILE A 68 2.820 -1.973 5.477 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.501 -2.163 6.228 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.115 -0.493 5.280 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.510 -1.578 7.623 1.00 0.00 C ATOM 0 H ILE A 68 1.281 -1.331 3.559 1.00 0.00 H new ATOM 0 HA ILE A 68 3.781 -2.762 3.713 1.00 0.00 H new ATOM 0 HB ILE A 68 3.622 -2.408 6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.696 -1.702 5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.278 -3.228 6.291 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.147 0.004 6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.077 -0.377 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.333 -0.044 4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.543 -1.750 8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.292 -2.056 8.213 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.701 -0.506 7.567 1.00 0.00 H new ATOM 1049 N ASP A 69 1.405 -4.553 3.369 1.00 0.00 N ATOM 1050 CA ASP A 69 0.809 -5.882 3.442 1.00 0.00 C ATOM 1051 C ASP A 69 1.327 -6.772 2.317 1.00 0.00 C ATOM 1052 O ASP A 69 1.558 -7.966 2.513 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.716 -5.784 3.370 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.274 -4.737 4.314 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -0.872 -4.730 5.496 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -2.114 -3.925 3.871 1.00 0.00 O ATOM 0 H ASP A 69 1.147 -4.020 2.539 1.00 0.00 H new ATOM 0 HA ASP A 69 1.093 -6.329 4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.014 -5.544 2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.151 -6.754 3.610 1.00 0.00 H new ATOM 1061 N TYR A 70 1.507 -6.185 1.139 1.00 0.00 N ATOM 1062 CA TYR A 70 1.994 -6.926 -0.018 1.00 0.00 C ATOM 1063 C TYR A 70 3.425 -6.521 -0.361 1.00 0.00 C ATOM 1064 O TYR A 70 4.254 -7.361 -0.708 1.00 0.00 O ATOM 1065 CB TYR A 70 1.083 -6.689 -1.223 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.360 -7.070 -0.975 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.180 -6.281 -0.179 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.902 -8.218 -1.539 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.498 -6.626 0.051 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.219 -8.570 -1.317 1.00 0.00 C ATOM 1071 CZ TYR A 70 -3.013 -7.771 -0.520 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.326 -8.117 -0.295 1.00 0.00 O ATOM 0 H TYR A 70 1.323 -5.198 0.960 1.00 0.00 H new ATOM 0 HA TYR A 70 1.985 -7.987 0.232 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.129 -5.636 -1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.460 -7.260 -2.071 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.781 -5.382 0.268 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.283 -8.846 -2.162 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.122 -6.002 0.675 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.625 -9.465 -1.765 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.907 -7.361 -0.522 1.00 0.00 H new ATOM 1082 N GLY A 71 3.707 -5.226 -0.260 1.00 0.00 N ATOM 1083 CA GLY A 71 5.037 -4.730 -0.562 1.00 0.00 C ATOM 1084 C GLY A 71 5.105 -4.033 -1.906 1.00 0.00 C ATOM 1085 O GLY A 71 6.027 -4.264 -2.687 1.00 0.00 O ATOM 0 H GLY A 71 3.038 -4.511 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.349 -4.037 0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.742 -5.561 -0.551 1.00 0.00 H new ATOM 1089 N ASN A 72 4.123 -3.179 -2.179 1.00 0.00 N ATOM 1090 CA ASN A 72 4.074 -2.448 -3.440 1.00 0.00 C ATOM 1091 C ASN A 72 3.829 -0.962 -3.198 1.00 0.00 C ATOM 1092 O ASN A 72 3.510 -0.549 -2.083 1.00 0.00 O ATOM 1093 CB ASN A 72 2.977 -3.018 -4.341 1.00 0.00 C ATOM 1094 CG ASN A 72 3.306 -2.871 -5.815 1.00 0.00 C ATOM 1095 OD1 ASN A 72 4.448 -3.067 -6.230 1.00 0.00 O ATOM 1096 ND2 ASN A 72 2.302 -2.523 -6.612 1.00 0.00 N ATOM 0 H ASN A 72 3.351 -2.977 -1.544 1.00 0.00 H new ATOM 0 HA ASN A 72 5.038 -2.563 -3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.830 -4.073 -4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.036 -2.510 -4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.462 -2.408 -7.613 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.371 -2.371 -6.223 1.00 0.00 H new ATOM 1103 N ARG A 73 3.979 -0.164 -4.250 1.00 0.00 N ATOM 1104 CA ARG A 73 3.773 1.276 -4.152 1.00 0.00 C ATOM 1105 C ARG A 73 2.810 1.763 -5.230 1.00 0.00 C ATOM 1106 O ARG A 73 2.878 1.326 -6.379 1.00 0.00 O ATOM 1107 CB ARG A 73 5.109 2.013 -4.275 1.00 0.00 C ATOM 1108 CG ARG A 73 6.173 1.509 -3.315 1.00 0.00 C ATOM 1109 CD ARG A 73 7.560 1.982 -3.722 1.00 0.00 C ATOM 1110 NE ARG A 73 7.842 3.330 -3.235 1.00 0.00 N ATOM 1111 CZ ARG A 73 7.475 4.435 -3.875 1.00 0.00 C ATOM 1112 NH1 ARG A 73 6.814 4.352 -5.021 1.00 0.00 N ATOM 1113 NH2 ARG A 73 7.769 5.625 -3.368 1.00 0.00 N ATOM 0 H ARG A 73 4.242 -0.490 -5.180 1.00 0.00 H new ATOM 0 HA ARG A 73 3.336 1.489 -3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.477 1.913 -5.296 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.946 3.076 -4.097 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.950 1.858 -2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.153 0.420 -3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.308 1.292 -3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.645 1.964 -4.809 1.00 0.00 H new ATOM 0 HE ARG A 73 8.349 3.428 -2.355 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.586 3.438 -5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.533 5.202 -5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.277 5.692 -2.486 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.487 6.473 -3.860 1.00 0.00 H new ATOM 1127 N GLU A 74 1.914 2.669 -4.852 1.00 0.00 N ATOM 1128 CA GLU A 74 0.936 3.213 -5.787 1.00 0.00 C ATOM 1129 C GLU A 74 0.544 4.635 -5.397 1.00 0.00 C ATOM 1130 O GLU A 74 0.316 4.929 -4.224 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.308 2.323 -5.833 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.339 2.772 -6.855 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.995 2.328 -8.264 1.00 0.00 C ATOM 1134 OE1 GLU A 74 -0.403 1.239 -8.414 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -1.319 3.069 -9.216 1.00 0.00 O ATOM 0 H GLU A 74 1.845 3.042 -3.905 1.00 0.00 H new ATOM 0 HA GLU A 74 1.392 3.239 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.005 1.301 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.770 2.307 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.315 2.373 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.421 3.859 -6.830 1.00 0.00 H new ATOM 1142 N VAL A 75 0.467 5.515 -6.391 1.00 0.00 N ATOM 1143 CA VAL A 75 0.102 6.906 -6.154 1.00 0.00 C ATOM 1144 C VAL A 75 -1.409 7.098 -6.226 1.00 0.00 C ATOM 1145 O VAL A 75 -1.975 7.250 -7.310 1.00 0.00 O ATOM 1146 CB VAL A 75 0.777 7.845 -7.171 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.331 9.282 -6.950 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.291 7.728 -7.081 1.00 0.00 C ATOM 0 H VAL A 75 0.653 5.288 -7.368 1.00 0.00 H new ATOM 0 HA VAL A 75 0.450 7.158 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 75 0.471 7.546 -8.174 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.819 9.930 -7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.750 9.350 -7.070 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.605 9.597 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.752 8.398 -7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.618 8.000 -6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.590 6.702 -7.294 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.057 7.090 -5.067 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.504 7.264 -4.998 1.00 0.00 C ATOM 1160 C LEU A 76 -3.862 8.590 -4.335 1.00 0.00 C ATOM 1161 O LEU A 76 -3.113 9.126 -3.518 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.140 6.107 -4.226 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.671 4.703 -4.613 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.790 3.756 -3.430 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.471 4.182 -5.798 1.00 0.00 C ATOM 0 H LEU A 76 -1.604 6.965 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.893 7.271 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.944 6.254 -3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.220 6.157 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.622 4.758 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.452 2.762 -3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.173 4.121 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.830 3.705 -3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.124 3.182 -6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.528 4.142 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.335 4.848 -6.650 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.035 9.133 -4.692 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.521 10.402 -4.142 1.00 0.00 C ATOM 1179 C PRO A 77 -5.911 10.285 -2.673 1.00 0.00 C ATOM 1180 O PRO A 77 -5.873 9.198 -2.095 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.751 10.712 -4.999 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.217 9.384 -5.488 1.00 0.00 C ATOM 1183 CD PRO A 77 -5.978 8.549 -5.661 1.00 0.00 C ATOM 0 HA PRO A 77 -4.757 11.179 -4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.524 11.212 -4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.499 11.373 -5.828 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.901 8.924 -4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.756 9.482 -6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.170 7.497 -5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.594 8.606 -6.680 1.00 0.00 H new ATOM 1191 N SER A 78 -6.285 11.410 -2.073 1.00 0.00 N ATOM 1192 CA SER A 78 -6.679 11.434 -0.669 1.00 0.00 C ATOM 1193 C SER A 78 -8.071 10.839 -0.486 1.00 0.00 C ATOM 1194 O SER A 78 -8.553 10.689 0.638 1.00 0.00 O ATOM 1195 CB SER A 78 -6.650 12.867 -0.134 1.00 0.00 C ATOM 1196 OG SER A 78 -7.645 13.664 -0.753 1.00 0.00 O ATOM 0 H SER A 78 -6.324 12.317 -2.537 1.00 0.00 H new ATOM 0 HA SER A 78 -5.967 10.829 -0.107 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.806 12.859 0.945 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.667 13.304 -0.311 1.00 0.00 H new ATOM 0 HG SER A 78 -7.363 13.889 -1.664 1.00 0.00 H new ATOM 1202 N THR A 79 -8.716 10.502 -1.599 1.00 0.00 N ATOM 1203 CA THR A 79 -10.053 9.924 -1.562 1.00 0.00 C ATOM 1204 C THR A 79 -10.003 8.445 -1.196 1.00 0.00 C ATOM 1205 O THR A 79 -10.781 7.975 -0.365 1.00 0.00 O ATOM 1206 CB THR A 79 -10.770 10.082 -2.916 1.00 0.00 C ATOM 1207 OG1 THR A 79 -10.011 9.444 -3.950 1.00 0.00 O ATOM 1208 CG2 THR A 79 -10.966 11.552 -3.257 1.00 0.00 C ATOM 0 H THR A 79 -8.333 10.620 -2.537 1.00 0.00 H new ATOM 0 HA THR A 79 -10.611 10.466 -0.798 1.00 0.00 H new ATOM 0 HB THR A 79 -11.749 9.609 -2.841 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.474 9.547 -4.807 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.474 11.638 -4.217 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.569 12.028 -2.483 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.995 12.045 -3.315 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.084 7.716 -1.820 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.934 6.290 -1.559 1.00 0.00 C ATOM 1218 C ARG A 80 -8.225 6.052 -0.229 1.00 0.00 C ATOM 1219 O ARG A 80 -8.043 4.909 0.194 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.152 5.622 -2.692 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.415 6.236 -4.058 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.285 5.203 -5.167 1.00 0.00 C ATOM 1223 NE ARG A 80 -9.544 4.506 -5.415 1.00 0.00 N ATOM 1224 CZ ARG A 80 -9.735 3.676 -6.435 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -8.755 3.441 -7.296 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -10.909 3.079 -6.594 1.00 0.00 N ATOM 0 H ARG A 80 -8.432 8.089 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.930 5.850 -1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.086 5.686 -2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.408 4.563 -2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.415 6.668 -4.077 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.712 7.050 -4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.956 5.694 -6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.516 4.478 -4.899 1.00 0.00 H new ATOM 0 HE ARG A 80 -10.319 4.665 -4.771 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.851 3.898 -7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.905 2.803 -8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.665 3.257 -5.933 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.055 2.442 -7.377 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.827 7.137 0.425 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.137 7.047 1.708 1.00 0.00 C ATOM 1242 C LEU A 81 -8.082 7.380 2.858 1.00 0.00 C ATOM 1243 O LEU A 81 -8.875 8.316 2.773 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.935 7.992 1.730 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.883 7.766 0.644 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.886 8.914 0.619 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.168 6.441 0.862 1.00 0.00 C ATOM 0 H LEU A 81 -7.970 8.089 0.089 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.788 6.022 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.301 9.015 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.449 7.907 2.702 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.388 7.729 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.145 8.735 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.411 9.847 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.387 8.983 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.423 6.297 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.676 6.449 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.892 5.627 0.828 1.00 0.00 H new ATOM 1259 N GLY A 82 -7.989 6.607 3.937 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.839 6.838 5.090 1.00 0.00 C ATOM 1261 C GLY A 82 -8.128 6.559 6.399 1.00 0.00 C ATOM 1262 O GLY A 82 -7.007 6.048 6.410 1.00 0.00 O ATOM 0 H GLY A 82 -7.340 5.826 4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.185 7.872 5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.723 6.205 5.018 1.00 0.00 H new ATOM 1266 N THR A 83 -8.779 6.897 7.508 1.00 0.00 N ATOM 1267 CA THR A 83 -8.201 6.683 8.829 1.00 0.00 C ATOM 1268 C THR A 83 -8.096 5.196 9.149 1.00 0.00 C ATOM 1269 O THR A 83 -9.100 4.482 9.171 1.00 0.00 O ATOM 1270 CB THR A 83 -9.034 7.374 9.925 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.610 8.582 9.414 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.174 7.690 11.139 1.00 0.00 C ATOM 0 H THR A 83 -9.707 7.320 7.517 1.00 0.00 H new ATOM 0 HA THR A 83 -7.202 7.120 8.812 1.00 0.00 H new ATOM 0 HB THR A 83 -9.829 6.694 10.230 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.139 9.015 10.116 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.784 8.178 11.900 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.761 6.766 11.543 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.360 8.354 10.846 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.875 4.734 9.396 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.639 3.331 9.716 1.00 0.00 C ATOM 1282 C LEU A 84 -7.041 3.025 11.155 1.00 0.00 C ATOM 1283 O LEU A 84 -6.366 3.434 12.100 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.165 2.980 9.501 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.690 1.668 10.127 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.414 0.485 9.503 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.184 1.517 9.969 1.00 0.00 C ATOM 0 H LEU A 84 -6.034 5.310 9.381 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.252 2.724 9.050 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.975 2.938 8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.557 3.791 9.901 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.924 1.690 11.191 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.063 -0.439 9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.487 0.587 9.668 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.212 0.459 8.432 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.863 0.578 10.420 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.927 1.517 8.910 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.681 2.348 10.464 1.00 0.00 H new ATOM 1299 N SER A 85 -8.145 2.301 11.314 1.00 0.00 N ATOM 1300 CA SER A 85 -8.638 1.941 12.639 1.00 0.00 C ATOM 1301 C SER A 85 -7.549 1.255 13.457 1.00 0.00 C ATOM 1302 O SER A 85 -6.719 0.511 12.933 1.00 0.00 O ATOM 1303 CB SER A 85 -9.857 1.023 12.520 1.00 0.00 C ATOM 1304 OG SER A 85 -10.278 0.567 13.794 1.00 0.00 O ATOM 0 H SER A 85 -8.714 1.953 10.543 1.00 0.00 H new ATOM 0 HA SER A 85 -8.930 2.857 13.152 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.673 1.558 12.034 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.613 0.170 11.887 1.00 0.00 H new ATOM 0 HG SER A 85 -11.059 -0.016 13.691 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.549 1.511 14.773 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.568 0.929 15.693 1.00 0.00 C ATOM 1312 C PRO A 86 -6.772 -0.570 15.885 1.00 0.00 C ATOM 1313 O PRO A 86 -5.864 -1.279 16.320 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.824 1.675 17.005 1.00 0.00 C ATOM 1315 CG PRO A 86 -8.245 2.113 16.920 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.508 2.389 15.466 1.00 0.00 C ATOM 0 HA PRO A 86 -5.549 1.032 15.320 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.660 1.028 17.867 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.153 2.527 17.114 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.915 1.340 17.298 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.415 3.005 17.523 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.537 2.155 15.192 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.343 3.438 15.220 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.968 -1.047 15.559 1.00 0.00 N ATOM 1325 CA ALA A 87 -8.290 -2.462 15.693 1.00 0.00 C ATOM 1326 C ALA A 87 -7.692 -3.272 14.548 1.00 0.00 C ATOM 1327 O ALA A 87 -7.292 -4.422 14.730 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.798 -2.657 15.748 1.00 0.00 C ATOM 0 H ALA A 87 -8.731 -0.473 15.200 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.854 -2.822 16.625 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.024 -3.719 15.848 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.204 -2.117 16.604 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.248 -2.275 14.832 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.633 -2.665 13.367 1.00 0.00 N ATOM 1335 CA PHE A 88 -7.084 -3.331 12.192 1.00 0.00 C ATOM 1336 C PHE A 88 -5.680 -2.819 11.882 1.00 0.00 C ATOM 1337 O PHE A 88 -5.047 -3.256 10.921 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.997 -3.113 10.983 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.449 -3.358 11.277 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.876 -4.589 11.747 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.388 -2.357 11.083 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -11.212 -4.819 12.019 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.725 -2.580 11.353 1.00 0.00 C ATOM 1344 CZ PHE A 88 -12.138 -3.813 11.821 1.00 0.00 C ATOM 0 H PHE A 88 -7.959 -1.713 13.199 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.023 -4.398 12.406 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.874 -2.091 10.625 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.681 -3.774 10.176 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.156 -5.379 11.903 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.071 -1.392 10.717 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.531 -5.783 12.386 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.446 -1.791 11.198 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.182 -3.990 12.032 1.00 0.00 H new ATOM 1354 N SER A 89 -5.201 -1.890 12.703 1.00 0.00 N ATOM 1355 CA SER A 89 -3.875 -1.314 12.515 1.00 0.00 C ATOM 1356 C SER A 89 -2.793 -2.377 12.680 1.00 0.00 C ATOM 1357 O SER A 89 -2.906 -3.270 13.522 1.00 0.00 O ATOM 1358 CB SER A 89 -3.644 -0.176 13.511 1.00 0.00 C ATOM 1359 OG SER A 89 -3.506 -0.673 14.830 1.00 0.00 O ATOM 0 H SER A 89 -5.712 -1.520 13.505 1.00 0.00 H new ATOM 0 HA SER A 89 -3.819 -0.917 11.501 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.748 0.379 13.233 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.479 0.524 13.468 1.00 0.00 H new ATOM 0 HG SER A 89 -4.392 -0.863 15.203 1.00 0.00 H new ATOM 1365 N THR A 90 -1.743 -2.275 11.871 1.00 0.00 N ATOM 1366 CA THR A 90 -0.641 -3.227 11.926 1.00 0.00 C ATOM 1367 C THR A 90 -0.199 -3.475 13.363 1.00 0.00 C ATOM 1368 O THR A 90 0.336 -4.536 13.684 1.00 0.00 O ATOM 1369 CB THR A 90 0.567 -2.736 11.106 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.655 -3.657 11.236 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.008 -1.355 11.568 1.00 0.00 C ATOM 0 H THR A 90 -1.633 -1.542 11.170 1.00 0.00 H new ATOM 0 HA THR A 90 -1.007 -4.159 11.496 1.00 0.00 H new ATOM 0 HB THR A 90 0.267 -2.674 10.060 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.362 -4.551 10.960 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.862 -1.029 10.975 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.187 -0.649 11.441 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.291 -1.396 12.620 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.426 -2.489 14.225 1.00 0.00 N ATOM 1380 CA ARG A 91 -0.050 -2.600 15.629 1.00 0.00 C ATOM 1381 C ARG A 91 -0.353 -3.997 16.165 1.00 0.00 C ATOM 1382 O ARG A 91 0.315 -4.481 17.078 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.790 -1.551 16.462 1.00 0.00 C ATOM 1384 CG ARG A 91 -0.113 -0.191 16.469 1.00 0.00 C ATOM 1385 CD ARG A 91 -0.670 0.715 15.383 1.00 0.00 C ATOM 1386 NE ARG A 91 -1.892 1.393 15.808 1.00 0.00 N ATOM 1387 CZ ARG A 91 -2.442 2.403 15.144 1.00 0.00 C ATOM 1388 NH1 ARG A 91 -1.881 2.850 14.028 1.00 0.00 N ATOM 1389 NH2 ARG A 91 -3.554 2.968 15.595 1.00 0.00 N ATOM 0 H ARG A 91 -0.868 -1.604 13.975 1.00 0.00 H new ATOM 0 HA ARG A 91 1.023 -2.425 15.706 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.803 -1.441 16.075 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.877 -1.909 17.488 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.250 0.280 17.443 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.960 -0.317 16.324 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.080 1.457 15.110 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.875 0.126 14.489 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.348 1.073 16.662 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.026 2.418 13.679 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.305 3.626 13.519 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.988 2.627 16.453 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.975 3.744 15.084 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.366 -4.638 15.589 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.757 -5.979 16.008 1.00 0.00 C ATOM 1405 C VAL A 92 -1.058 -7.043 15.169 1.00 0.00 C ATOM 1406 O VAL A 92 -0.672 -8.096 15.677 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.281 -6.177 15.902 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.719 -7.390 16.709 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -4.014 -4.926 16.364 1.00 0.00 C ATOM 0 H VAL A 92 -1.930 -4.251 14.832 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.455 -6.086 17.050 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.535 -6.354 14.857 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.798 -7.514 16.622 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.219 -8.281 16.327 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.453 -7.246 17.756 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.089 -5.083 16.282 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.756 -4.715 17.402 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.722 -4.082 15.739 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.897 -6.760 13.881 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.243 -7.693 12.969 1.00 0.00 C ATOM 1421 C LEU A 93 0.922 -7.023 12.248 1.00 0.00 C ATOM 1422 O LEU A 93 0.822 -5.893 11.770 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.249 -8.229 11.948 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.845 -9.510 11.218 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.947 -10.709 12.148 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.711 -9.716 9.983 1.00 0.00 C ATOM 0 H LEU A 93 -1.210 -5.893 13.445 1.00 0.00 H new ATOM 0 HA LEU A 93 0.147 -8.524 13.557 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.195 -8.409 12.459 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.431 -7.453 11.205 1.00 0.00 H new ATOM 0 HG LEU A 93 0.192 -9.411 10.898 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.656 -11.612 11.611 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.285 -10.565 13.002 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.974 -10.811 12.499 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.409 -10.632 9.476 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.757 -9.793 10.281 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.588 -8.870 9.307 1.00 0.00 H new ATOM 1438 N PRO A 94 2.056 -7.736 12.165 1.00 0.00 N ATOM 1439 CA PRO A 94 3.261 -7.231 11.502 1.00 0.00 C ATOM 1440 C PRO A 94 3.094 -7.137 9.989 1.00 0.00 C ATOM 1441 O PRO A 94 2.483 -8.006 9.368 1.00 0.00 O ATOM 1442 CB PRO A 94 4.325 -8.273 11.859 1.00 0.00 C ATOM 1443 CG PRO A 94 3.558 -9.523 12.118 1.00 0.00 C ATOM 1444 CD PRO A 94 2.247 -9.090 12.713 1.00 0.00 C ATOM 0 HA PRO A 94 3.510 -6.220 11.824 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.037 -8.407 11.045 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.897 -7.970 12.736 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.402 -10.083 11.196 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.099 -10.178 12.801 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.435 -9.758 12.426 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.283 -9.082 13.802 1.00 0.00 H new ATOM 1452 N ALA A 95 3.642 -6.077 9.403 1.00 0.00 N ATOM 1453 CA ALA A 95 3.555 -5.872 7.963 1.00 0.00 C ATOM 1454 C ALA A 95 4.180 -7.037 7.203 1.00 0.00 C ATOM 1455 O ALA A 95 5.354 -7.355 7.392 1.00 0.00 O ATOM 1456 CB ALA A 95 4.230 -4.564 7.575 1.00 0.00 C ATOM 0 H ALA A 95 4.150 -5.348 9.903 1.00 0.00 H new ATOM 0 HA ALA A 95 2.501 -5.820 7.692 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.158 -4.423 6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.737 -3.735 8.083 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.280 -4.596 7.867 1.00 0.00 H new ATOM 1462 N GLN A 96 3.387 -7.671 6.345 1.00 0.00 N ATOM 1463 CA GLN A 96 3.863 -8.802 5.558 1.00 0.00 C ATOM 1464 C GLN A 96 4.570 -8.327 4.293 1.00 0.00 C ATOM 1465 O GLN A 96 5.121 -9.129 3.540 1.00 0.00 O ATOM 1466 CB GLN A 96 2.697 -9.722 5.191 1.00 0.00 C ATOM 1467 CG GLN A 96 1.882 -10.179 6.389 1.00 0.00 C ATOM 1468 CD GLN A 96 2.729 -10.864 7.444 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.503 -11.772 7.141 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.587 -10.431 8.691 1.00 0.00 N ATOM 0 H GLN A 96 2.413 -7.421 6.177 1.00 0.00 H new ATOM 0 HA GLN A 96 4.578 -9.358 6.164 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.041 -9.202 4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.086 -10.598 4.671 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.382 -9.318 6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.103 -10.863 6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.934 -9.675 8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.131 -10.854 9.443 1.00 0.00 H new ATOM 1479 N ALA A 97 4.548 -7.018 4.065 1.00 0.00 N ATOM 1480 CA ALA A 97 5.188 -6.436 2.892 1.00 0.00 C ATOM 1481 C ALA A 97 6.623 -6.930 2.747 1.00 0.00 C ATOM 1482 O ALA A 97 7.291 -7.229 3.738 1.00 0.00 O ATOM 1483 CB ALA A 97 5.156 -4.917 2.972 1.00 0.00 C ATOM 0 H ALA A 97 4.094 -6.340 4.677 1.00 0.00 H new ATOM 0 HA ALA A 97 4.632 -6.754 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.637 -4.496 2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.121 -4.577 3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.686 -4.588 3.866 1.00 0.00 H new