USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 851 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 62 ASN : amide:sc= -4.62! C(o=-3.9!,f=-5.1!) USER MOD Set 1.2: A 68 SER OG : rot 147:sc= 0.746 USER MOD Set 2.1: A 27 THR OG1 : rot 180:sc= -1.06 USER MOD Set 2.2: A 33 HIS : no HD1:sc= -24.8! C(o=-26!,f=-30!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0913 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -92:sc= -7.1! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -116:sc= -0.0237 (180deg=-0.366) USER MOD Single : A 43 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.42) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.755 K(o=-0.76,f=-4.8!) USER MOD Single : A 69 TYR OH : rot -110:sc= -1.45 USER MOD Single : A 79 ASN : amide:sc= -16.1! C(o=-16!,f=-18!) USER MOD Single : A 86 THR OG1 : rot -133:sc= -1.68! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -50:sc= -5.35! USER MOD Single : A 91 LYS NZ :NH3+ -122:sc= -0.953 (180deg=-1.9) USER MOD Single : A 95 THR OG1 : rot -136:sc= -0.582 USER MOD Single : A 97 TYR OH : rot 30:sc= -0.0155 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -8.43! C(o=-8.4!,f=-3.6!) USER MOD Single : A 104 THR OG1 : rot 40:sc= -0.217! USER MOD Single : A 105 LYS NZ :NH3+ -145:sc= -0.25 (180deg=-1.65) USER MOD Single : A 110 SER OG : rot -150:sc= -2.57! USER MOD Single : A 118 GLN : amide:sc= -0.949 K(o=-0.95,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 9 3.771 10.915 4.034 1.00 0.00 N ATOM 133 CA LEU A 9 3.472 10.549 2.627 1.00 0.00 C ATOM 134 C LEU A 9 4.409 9.442 2.149 1.00 0.00 C ATOM 135 O LEU A 9 5.363 9.693 1.442 1.00 0.00 O ATOM 136 CB LEU A 9 3.716 11.813 1.804 1.00 0.00 C ATOM 137 CG LEU A 9 2.440 12.655 1.747 1.00 0.00 C ATOM 138 CD1 LEU A 9 2.666 13.968 2.495 1.00 0.00 C ATOM 139 CD2 LEU A 9 2.092 12.958 0.285 1.00 0.00 C ATOM 0 HA LEU A 9 2.450 10.183 2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.525 12.394 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.030 11.545 0.795 1.00 0.00 H new ATOM 0 HG LEU A 9 1.621 12.105 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.758 14.570 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.916 13.756 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.485 14.516 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.183 13.558 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.911 13.509 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.934 12.023 -0.253 1.00 0.00 H new ATOM 151 N ARG A 10 4.151 8.221 2.514 1.00 0.00 N ATOM 152 CA ARG A 10 5.035 7.124 2.049 1.00 0.00 C ATOM 153 C ARG A 10 4.190 5.923 1.626 1.00 0.00 C ATOM 154 O ARG A 10 3.103 5.705 2.123 1.00 0.00 O ATOM 155 CB ARG A 10 5.922 6.782 3.249 1.00 0.00 C ATOM 156 CG ARG A 10 7.285 7.460 3.086 1.00 0.00 C ATOM 157 CD ARG A 10 7.843 7.159 1.692 1.00 0.00 C ATOM 158 NE ARG A 10 9.319 7.302 1.829 1.00 0.00 N ATOM 159 CZ ARG A 10 9.985 6.490 2.605 1.00 0.00 C ATOM 160 NH1 ARG A 10 10.364 5.325 2.157 1.00 0.00 N ATOM 161 NH2 ARG A 10 10.272 6.845 3.826 1.00 0.00 N ATOM 0 H ARG A 10 3.373 7.937 3.109 1.00 0.00 H new ATOM 0 HA ARG A 10 5.635 7.408 1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.447 7.114 4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.048 5.702 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.186 8.537 3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.975 7.102 3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.572 6.154 1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.446 7.852 0.950 1.00 0.00 H new ATOM 0 HE ARG A 10 9.810 8.035 1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 10 10.140 5.049 1.201 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.884 4.690 2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.976 7.757 4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.792 6.211 4.433 1.00 0.00 H new ATOM 175 N VAL A 11 4.666 5.150 0.696 1.00 0.00 N ATOM 176 CA VAL A 11 3.865 3.979 0.241 1.00 0.00 C ATOM 177 C VAL A 11 4.773 2.836 -0.224 1.00 0.00 C ATOM 178 O VAL A 11 5.372 2.891 -1.281 1.00 0.00 O ATOM 179 CB VAL A 11 3.003 4.510 -0.918 1.00 0.00 C ATOM 180 CG1 VAL A 11 3.810 5.493 -1.774 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.538 3.344 -1.795 1.00 0.00 C ATOM 0 H VAL A 11 5.566 5.274 0.233 1.00 0.00 H new ATOM 0 HA VAL A 11 3.255 3.567 1.045 1.00 0.00 H new ATOM 0 HB VAL A 11 2.138 5.024 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.188 5.861 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.133 6.332 -1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.684 4.986 -2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.928 3.725 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.406 2.825 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.948 2.651 -1.196 1.00 0.00 H new ATOM 191 N LEU A 12 4.858 1.785 0.551 1.00 0.00 N ATOM 192 CA LEU A 12 5.699 0.629 0.145 1.00 0.00 C ATOM 193 C LEU A 12 4.823 -0.363 -0.627 1.00 0.00 C ATOM 194 O LEU A 12 4.095 -1.143 -0.049 1.00 0.00 O ATOM 195 CB LEU A 12 6.203 0.011 1.454 1.00 0.00 C ATOM 196 CG LEU A 12 6.946 1.059 2.299 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.815 1.933 1.403 1.00 0.00 C ATOM 198 CD2 LEU A 12 5.949 1.949 3.037 1.00 0.00 C ATOM 0 H LEU A 12 4.380 1.681 1.446 1.00 0.00 H new ATOM 0 HA LEU A 12 6.533 0.910 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.362 -0.390 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.868 -0.825 1.235 1.00 0.00 H new ATOM 0 HG LEU A 12 7.571 0.534 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.337 2.672 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.544 1.310 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.187 2.443 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.489 2.686 3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.314 2.461 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.331 1.336 3.693 1.00 0.00 H new ATOM 210 N VAL A 13 4.876 -0.333 -1.928 1.00 0.00 N ATOM 211 CA VAL A 13 4.028 -1.264 -2.729 1.00 0.00 C ATOM 212 C VAL A 13 4.883 -2.427 -3.209 1.00 0.00 C ATOM 213 O VAL A 13 5.974 -2.239 -3.698 1.00 0.00 O ATOM 214 CB VAL A 13 3.523 -0.439 -3.919 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.216 -1.040 -4.436 1.00 0.00 C ATOM 216 CG2 VAL A 13 3.271 1.011 -3.487 1.00 0.00 C ATOM 0 H VAL A 13 5.468 0.294 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 13 3.198 -1.675 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 13 4.277 -0.455 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.856 -0.455 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.389 -2.068 -4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.470 -1.026 -3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.913 1.588 -4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.522 1.030 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.199 1.447 -3.118 1.00 0.00 H new ATOM 226 N VAL A 14 4.435 -3.635 -3.053 1.00 0.00 N ATOM 227 CA VAL A 14 5.296 -4.756 -3.491 1.00 0.00 C ATOM 228 C VAL A 14 4.477 -5.956 -3.987 1.00 0.00 C ATOM 229 O VAL A 14 3.466 -6.328 -3.420 1.00 0.00 O ATOM 230 CB VAL A 14 6.128 -5.122 -2.247 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.444 -3.870 -1.422 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.364 -6.120 -1.374 1.00 0.00 C ATOM 0 H VAL A 14 3.533 -3.891 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 14 5.920 -4.472 -4.338 1.00 0.00 H new ATOM 0 HB VAL A 14 7.061 -5.573 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.032 -4.149 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.011 -3.166 -2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.514 -3.403 -1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.963 -6.370 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.421 -5.676 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.163 -7.025 -1.947 1.00 0.00 H new ATOM 242 N GLU A 15 4.944 -6.569 -5.038 1.00 0.00 N ATOM 243 CA GLU A 15 4.268 -7.770 -5.602 1.00 0.00 C ATOM 244 C GLU A 15 5.284 -8.559 -6.442 1.00 0.00 C ATOM 245 O GLU A 15 6.328 -8.062 -6.794 1.00 0.00 O ATOM 246 CB GLU A 15 3.102 -7.244 -6.445 1.00 0.00 C ATOM 247 CG GLU A 15 3.600 -6.738 -7.799 1.00 0.00 C ATOM 248 CD GLU A 15 2.875 -7.490 -8.915 1.00 0.00 C ATOM 249 OE1 GLU A 15 2.598 -8.660 -8.726 1.00 0.00 O ATOM 250 OE2 GLU A 15 2.603 -6.882 -9.937 1.00 0.00 O ATOM 0 H GLU A 15 5.784 -6.282 -5.540 1.00 0.00 H new ATOM 0 HA GLU A 15 3.891 -8.448 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.368 -8.036 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.597 -6.438 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.419 -5.667 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.676 -6.888 -7.883 1.00 0.00 H new ATOM 257 N ASP A 16 5.015 -9.792 -6.734 1.00 0.00 N ATOM 258 CA ASP A 16 6.003 -10.612 -7.504 1.00 0.00 C ATOM 259 C ASP A 16 6.286 -10.087 -8.924 1.00 0.00 C ATOM 260 O ASP A 16 7.001 -10.719 -9.676 1.00 0.00 O ATOM 261 CB ASP A 16 5.371 -11.988 -7.582 1.00 0.00 C ATOM 262 CG ASP A 16 3.979 -11.873 -8.210 1.00 0.00 C ATOM 263 OD1 ASP A 16 3.576 -10.760 -8.508 1.00 0.00 O ATOM 264 OD2 ASP A 16 3.340 -12.897 -8.385 1.00 0.00 O ATOM 0 H ASP A 16 4.155 -10.277 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 16 6.972 -10.591 -7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.996 -12.654 -8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.298 -12.424 -6.586 1.00 0.00 H new ATOM 269 N GLU A 17 5.753 -8.965 -9.318 1.00 0.00 N ATOM 270 CA GLU A 17 6.041 -8.478 -10.701 1.00 0.00 C ATOM 271 C GLU A 17 6.493 -7.012 -10.692 1.00 0.00 C ATOM 272 O GLU A 17 6.501 -6.358 -9.668 1.00 0.00 O ATOM 273 CB GLU A 17 4.722 -8.629 -11.457 1.00 0.00 C ATOM 274 CG GLU A 17 4.556 -10.082 -11.907 1.00 0.00 C ATOM 275 CD GLU A 17 3.212 -10.622 -11.413 1.00 0.00 C ATOM 276 OE1 GLU A 17 2.386 -9.821 -11.005 1.00 0.00 O ATOM 277 OE2 GLU A 17 3.032 -11.828 -11.448 1.00 0.00 O ATOM 0 H GLU A 17 5.142 -8.372 -8.757 1.00 0.00 H new ATOM 0 HA GLU A 17 6.850 -9.042 -11.165 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.889 -8.338 -10.818 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.708 -7.965 -12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.607 -10.145 -12.994 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.370 -10.690 -11.514 1.00 0.00 H new ATOM 284 N SER A 18 6.869 -6.496 -11.835 1.00 0.00 N ATOM 285 CA SER A 18 7.320 -5.074 -11.912 1.00 0.00 C ATOM 286 C SER A 18 6.164 -4.186 -12.371 1.00 0.00 C ATOM 287 O SER A 18 6.244 -2.974 -12.321 1.00 0.00 O ATOM 288 CB SER A 18 8.452 -5.060 -12.941 1.00 0.00 C ATOM 289 OG SER A 18 8.131 -5.936 -14.013 1.00 0.00 O ATOM 0 H SER A 18 6.883 -7.001 -12.721 1.00 0.00 H new ATOM 0 HA SER A 18 7.654 -4.695 -10.946 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.603 -4.048 -13.317 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.387 -5.369 -12.473 1.00 0.00 H new ATOM 0 HG SER A 18 8.856 -5.925 -14.673 1.00 0.00 H new ATOM 295 N MET A 19 5.080 -4.776 -12.799 1.00 0.00 N ATOM 296 CA MET A 19 3.919 -3.954 -13.236 1.00 0.00 C ATOM 297 C MET A 19 3.524 -3.021 -12.094 1.00 0.00 C ATOM 298 O MET A 19 2.873 -2.014 -12.288 1.00 0.00 O ATOM 299 CB MET A 19 2.802 -4.955 -13.529 1.00 0.00 C ATOM 300 CG MET A 19 2.350 -5.606 -12.223 1.00 0.00 C ATOM 301 SD MET A 19 1.828 -7.309 -12.546 1.00 0.00 S ATOM 302 CE MET A 19 0.147 -6.929 -13.102 1.00 0.00 C ATOM 0 H MET A 19 4.950 -5.786 -12.864 1.00 0.00 H new ATOM 0 HA MET A 19 4.135 -3.340 -14.111 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.962 -4.450 -14.007 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.154 -5.716 -14.225 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.164 -5.595 -11.498 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.528 -5.039 -11.787 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.369 -7.854 -13.359 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.394 -6.421 -12.304 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.191 -6.283 -13.979 1.00 0.00 H new ATOM 312 N ILE A 20 3.936 -3.353 -10.902 1.00 0.00 N ATOM 313 CA ILE A 20 3.615 -2.496 -9.729 1.00 0.00 C ATOM 314 C ILE A 20 4.628 -1.361 -9.642 1.00 0.00 C ATOM 315 O ILE A 20 4.378 -0.326 -9.057 1.00 0.00 O ATOM 316 CB ILE A 20 3.724 -3.413 -8.514 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.658 -2.572 -7.236 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.043 -4.194 -8.544 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.912 -3.465 -6.018 1.00 0.00 C ATOM 0 H ILE A 20 4.485 -4.186 -10.690 1.00 0.00 H new ATOM 0 HA ILE A 20 2.624 -2.046 -9.796 1.00 0.00 H new ATOM 0 HB ILE A 20 2.897 -4.123 -8.535 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.400 -1.774 -7.275 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.681 -2.095 -7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.102 -4.842 -7.670 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.086 -4.800 -9.449 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.880 -3.495 -8.535 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.864 -2.864 -5.110 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.154 -4.247 -5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.899 -3.921 -6.100 1.00 0.00 H new ATOM 331 N ALA A 21 5.765 -1.547 -10.242 1.00 0.00 N ATOM 332 CA ALA A 21 6.803 -0.486 -10.227 1.00 0.00 C ATOM 333 C ALA A 21 6.274 0.750 -10.960 1.00 0.00 C ATOM 334 O ALA A 21 6.061 1.795 -10.370 1.00 0.00 O ATOM 335 CB ALA A 21 7.973 -1.114 -10.967 1.00 0.00 C ATOM 0 H ALA A 21 6.022 -2.395 -10.746 1.00 0.00 H new ATOM 0 HA ALA A 21 7.085 -0.157 -9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.799 -0.404 -11.011 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.295 -2.013 -10.442 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.665 -1.375 -11.979 1.00 0.00 H new ATOM 341 N MET A 22 6.020 0.638 -12.236 1.00 0.00 N ATOM 342 CA MET A 22 5.459 1.814 -12.960 1.00 0.00 C ATOM 343 C MET A 22 4.212 2.266 -12.204 1.00 0.00 C ATOM 344 O MET A 22 3.794 3.405 -12.271 1.00 0.00 O ATOM 345 CB MET A 22 5.109 1.312 -14.363 1.00 0.00 C ATOM 346 CG MET A 22 4.527 2.463 -15.187 1.00 0.00 C ATOM 347 SD MET A 22 5.820 3.688 -15.510 1.00 0.00 S ATOM 348 CE MET A 22 6.215 3.167 -17.197 1.00 0.00 C ATOM 0 H MET A 22 6.173 -0.199 -12.799 1.00 0.00 H new ATOM 0 HA MET A 22 6.146 2.657 -13.026 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.999 0.915 -14.851 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.389 0.496 -14.300 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.126 2.085 -16.128 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.699 2.926 -14.651 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.006 3.801 -17.598 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.551 2.130 -17.188 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.327 3.255 -17.822 1.00 0.00 H new ATOM 358 N LEU A 23 3.643 1.364 -11.455 1.00 0.00 N ATOM 359 CA LEU A 23 2.447 1.681 -10.633 1.00 0.00 C ATOM 360 C LEU A 23 2.861 2.600 -9.479 1.00 0.00 C ATOM 361 O LEU A 23 2.039 3.166 -8.787 1.00 0.00 O ATOM 362 CB LEU A 23 2.036 0.323 -10.081 1.00 0.00 C ATOM 363 CG LEU A 23 0.610 -0.022 -10.482 1.00 0.00 C ATOM 364 CD1 LEU A 23 0.339 -1.470 -10.082 1.00 0.00 C ATOM 365 CD2 LEU A 23 -0.368 0.902 -9.755 1.00 0.00 C ATOM 0 H LEU A 23 3.966 0.399 -11.378 1.00 0.00 H new ATOM 0 HA LEU A 23 1.652 2.180 -11.188 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.717 -0.444 -10.450 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.120 0.328 -8.994 1.00 0.00 H new ATOM 0 HG LEU A 23 0.481 0.104 -11.557 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.680 -1.740 -10.360 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.041 -2.127 -10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.462 -1.579 -9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.389 0.652 -10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.255 0.776 -8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.158 1.937 -10.023 1.00 0.00 H new ATOM 377 N ILE A 24 4.143 2.726 -9.260 1.00 0.00 N ATOM 378 CA ILE A 24 4.642 3.580 -8.148 1.00 0.00 C ATOM 379 C ILE A 24 4.820 5.020 -8.618 1.00 0.00 C ATOM 380 O ILE A 24 4.515 5.961 -7.913 1.00 0.00 O ATOM 381 CB ILE A 24 5.989 2.956 -7.760 1.00 0.00 C ATOM 382 CG1 ILE A 24 6.222 3.181 -6.274 1.00 0.00 C ATOM 383 CG2 ILE A 24 7.146 3.584 -8.548 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.181 1.836 -5.565 1.00 0.00 C ATOM 0 H ILE A 24 4.870 2.269 -9.810 1.00 0.00 H new ATOM 0 HA ILE A 24 3.950 3.618 -7.306 1.00 0.00 H new ATOM 0 HB ILE A 24 5.957 1.892 -7.993 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.185 3.665 -6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.459 3.846 -5.868 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.085 3.119 -8.248 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.987 3.427 -9.615 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.189 4.653 -8.341 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.347 1.982 -4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.207 1.372 -5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.960 1.188 -5.968 1.00 0.00 H new ATOM 396 N GLU A 25 5.319 5.198 -9.803 1.00 0.00 N ATOM 397 CA GLU A 25 5.518 6.583 -10.307 1.00 0.00 C ATOM 398 C GLU A 25 4.163 7.226 -10.587 1.00 0.00 C ATOM 399 O GLU A 25 4.017 8.432 -10.562 1.00 0.00 O ATOM 400 CB GLU A 25 6.328 6.426 -11.588 1.00 0.00 C ATOM 401 CG GLU A 25 7.755 6.018 -11.223 1.00 0.00 C ATOM 402 CD GLU A 25 8.701 7.192 -11.480 1.00 0.00 C ATOM 403 OE1 GLU A 25 9.172 7.314 -12.599 1.00 0.00 O ATOM 404 OE2 GLU A 25 8.938 7.950 -10.554 1.00 0.00 O ATOM 0 H GLU A 25 5.597 4.453 -10.442 1.00 0.00 H new ATOM 0 HA GLU A 25 6.031 7.224 -9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.873 5.673 -12.232 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.335 7.362 -12.147 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.803 5.721 -10.175 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.060 5.155 -11.814 1.00 0.00 H new ATOM 411 N ASP A 26 3.164 6.428 -10.837 1.00 0.00 N ATOM 412 CA ASP A 26 1.817 6.995 -11.099 1.00 0.00 C ATOM 413 C ASP A 26 1.167 7.372 -9.763 1.00 0.00 C ATOM 414 O ASP A 26 0.588 8.430 -9.618 1.00 0.00 O ATOM 415 CB ASP A 26 1.048 5.878 -11.822 1.00 0.00 C ATOM 416 CG ASP A 26 0.309 4.991 -10.814 1.00 0.00 C ATOM 417 OD1 ASP A 26 -0.703 5.434 -10.297 1.00 0.00 O ATOM 418 OD2 ASP A 26 0.766 3.887 -10.579 1.00 0.00 O ATOM 0 H ASP A 26 3.223 5.410 -10.871 1.00 0.00 H new ATOM 0 HA ASP A 26 1.835 7.901 -11.705 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.335 6.314 -12.522 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.740 5.273 -12.408 1.00 0.00 H new ATOM 423 N THR A 27 1.275 6.517 -8.780 1.00 0.00 N ATOM 424 CA THR A 27 0.681 6.836 -7.453 1.00 0.00 C ATOM 425 C THR A 27 1.381 8.064 -6.866 1.00 0.00 C ATOM 426 O THR A 27 0.749 8.965 -6.351 1.00 0.00 O ATOM 427 CB THR A 27 0.916 5.595 -6.582 1.00 0.00 C ATOM 428 OG1 THR A 27 0.458 5.855 -5.263 1.00 0.00 O ATOM 429 CG2 THR A 27 2.406 5.246 -6.541 1.00 0.00 C ATOM 0 H THR A 27 1.748 5.615 -8.840 1.00 0.00 H new ATOM 0 HA THR A 27 -0.382 7.069 -7.516 1.00 0.00 H new ATOM 0 HB THR A 27 0.369 4.755 -7.009 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.605 5.064 -4.704 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.556 4.363 -5.919 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.760 5.042 -7.552 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.964 6.084 -6.123 1.00 0.00 H new ATOM 437 N LEU A 28 2.682 8.119 -6.971 1.00 0.00 N ATOM 438 CA LEU A 28 3.426 9.299 -6.452 1.00 0.00 C ATOM 439 C LEU A 28 2.958 10.533 -7.229 1.00 0.00 C ATOM 440 O LEU A 28 2.971 11.640 -6.726 1.00 0.00 O ATOM 441 CB LEU A 28 4.905 8.944 -6.704 1.00 0.00 C ATOM 442 CG LEU A 28 5.730 10.162 -7.146 1.00 0.00 C ATOM 443 CD1 LEU A 28 6.442 10.762 -5.932 1.00 0.00 C ATOM 444 CD2 LEU A 28 6.773 9.705 -8.166 1.00 0.00 C ATOM 0 H LEU A 28 3.261 7.395 -7.395 1.00 0.00 H new ATOM 0 HA LEU A 28 3.267 9.524 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.336 8.527 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.965 8.170 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 28 5.075 10.912 -7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.028 11.626 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.703 11.072 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.103 10.015 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.366 10.561 -8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.427 8.962 -7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.271 9.266 -9.028 1.00 0.00 H new ATOM 456 N CYS A 29 2.516 10.342 -8.445 1.00 0.00 N ATOM 457 CA CYS A 29 2.015 11.497 -9.241 1.00 0.00 C ATOM 458 C CYS A 29 0.836 12.128 -8.501 1.00 0.00 C ATOM 459 O CYS A 29 0.635 13.326 -8.528 1.00 0.00 O ATOM 460 CB CYS A 29 1.559 10.901 -10.575 1.00 0.00 C ATOM 461 SG CYS A 29 1.271 12.234 -11.766 1.00 0.00 S ATOM 0 H CYS A 29 2.481 9.439 -8.918 1.00 0.00 H new ATOM 0 HA CYS A 29 2.769 12.270 -9.392 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.316 10.215 -10.957 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.646 10.322 -10.434 1.00 0.00 H new ATOM 0 HG CYS A 29 0.886 11.727 -12.900 1.00 0.00 H new ATOM 467 N GLU A 30 0.060 11.318 -7.827 1.00 0.00 N ATOM 468 CA GLU A 30 -1.100 11.848 -7.068 1.00 0.00 C ATOM 469 C GLU A 30 -0.677 12.160 -5.629 1.00 0.00 C ATOM 470 O GLU A 30 -0.775 13.282 -5.175 1.00 0.00 O ATOM 471 CB GLU A 30 -2.139 10.727 -7.094 1.00 0.00 C ATOM 472 CG GLU A 30 -3.238 11.031 -6.075 1.00 0.00 C ATOM 473 CD GLU A 30 -4.606 10.750 -6.699 1.00 0.00 C ATOM 474 OE1 GLU A 30 -4.688 10.732 -7.916 1.00 0.00 O ATOM 475 OE2 GLU A 30 -5.550 10.558 -5.949 1.00 0.00 O ATOM 0 H GLU A 30 0.185 10.307 -7.773 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.493 12.770 -7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.568 10.636 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.666 9.772 -6.862 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.101 10.419 -5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.178 12.073 -5.759 1.00 0.00 H new ATOM 482 N LEU A 31 -0.190 11.179 -4.913 1.00 0.00 N ATOM 483 CA LEU A 31 0.254 11.437 -3.511 1.00 0.00 C ATOM 484 C LEU A 31 1.414 12.424 -3.516 1.00 0.00 C ATOM 485 O LEU A 31 1.566 13.230 -2.618 1.00 0.00 O ATOM 486 CB LEU A 31 0.761 10.099 -2.972 1.00 0.00 C ATOM 487 CG LEU A 31 -0.404 9.170 -2.644 1.00 0.00 C ATOM 488 CD1 LEU A 31 -0.186 7.825 -3.340 1.00 0.00 C ATOM 489 CD2 LEU A 31 -0.458 8.947 -1.129 1.00 0.00 C ATOM 0 H LEU A 31 -0.081 10.218 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.558 11.845 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.411 9.628 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.362 10.266 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.338 9.616 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.016 7.157 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.132 7.978 -4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.746 7.381 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.289 8.284 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.476 8.495 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.599 9.903 -0.625 1.00 0.00 H new ATOM 501 N GLY A 32 2.261 12.334 -4.504 1.00 0.00 N ATOM 502 CA GLY A 32 3.440 13.232 -4.545 1.00 0.00 C ATOM 503 C GLY A 32 4.328 12.883 -3.353 1.00 0.00 C ATOM 504 O GLY A 32 5.201 13.635 -2.971 1.00 0.00 O ATOM 0 H GLY A 32 2.185 11.678 -5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.986 13.104 -5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.128 14.275 -4.498 1.00 0.00 H new ATOM 508 N HIS A 33 4.091 11.743 -2.749 1.00 0.00 N ATOM 509 CA HIS A 33 4.905 11.346 -1.567 1.00 0.00 C ATOM 510 C HIS A 33 6.395 11.332 -1.922 1.00 0.00 C ATOM 511 O HIS A 33 6.814 11.935 -2.891 1.00 0.00 O ATOM 512 CB HIS A 33 4.409 9.954 -1.139 1.00 0.00 C ATOM 513 CG HIS A 33 4.044 9.111 -2.321 1.00 0.00 C ATOM 514 ND1 HIS A 33 2.809 8.491 -2.435 1.00 0.00 N ATOM 515 CD2 HIS A 33 4.760 8.731 -3.416 1.00 0.00 C ATOM 516 CE1 HIS A 33 2.823 7.768 -3.567 1.00 0.00 C ATOM 517 NE2 HIS A 33 3.994 7.876 -4.205 1.00 0.00 N ATOM 0 H HIS A 33 3.371 11.076 -3.025 1.00 0.00 H new ATOM 0 HA HIS A 33 4.791 12.056 -0.748 1.00 0.00 H new ATOM 0 HB2 HIS A 33 5.185 9.453 -0.560 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.543 10.061 -0.486 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.769 9.045 -3.639 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.993 7.174 -3.918 1.00 0.00 H new ATOM 0 HE2 HIS A 33 4.267 7.429 -5.080 1.00 0.00 H new ATOM 525 N GLU A 34 7.204 10.675 -1.136 1.00 0.00 N ATOM 526 CA GLU A 34 8.667 10.659 -1.426 1.00 0.00 C ATOM 527 C GLU A 34 9.017 9.556 -2.428 1.00 0.00 C ATOM 528 O GLU A 34 8.885 9.729 -3.623 1.00 0.00 O ATOM 529 CB GLU A 34 9.329 10.399 -0.072 1.00 0.00 C ATOM 530 CG GLU A 34 9.535 11.728 0.654 1.00 0.00 C ATOM 531 CD GLU A 34 10.845 12.366 0.186 1.00 0.00 C ATOM 532 OE1 GLU A 34 11.885 11.772 0.416 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.786 13.437 -0.395 1.00 0.00 O ATOM 0 H GLU A 34 6.917 10.151 -0.309 1.00 0.00 H new ATOM 0 HA GLU A 34 9.006 11.592 -1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.706 9.736 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.286 9.896 -0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.699 12.398 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.561 11.566 1.732 1.00 0.00 H new ATOM 540 N VAL A 35 9.465 8.425 -1.956 1.00 0.00 N ATOM 541 CA VAL A 35 9.823 7.318 -2.886 1.00 0.00 C ATOM 542 C VAL A 35 9.192 6.018 -2.392 1.00 0.00 C ATOM 543 O VAL A 35 9.411 5.601 -1.272 1.00 0.00 O ATOM 544 CB VAL A 35 11.352 7.235 -2.843 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.950 8.373 -3.673 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.834 7.356 -1.395 1.00 0.00 C ATOM 0 H VAL A 35 9.599 8.220 -0.966 1.00 0.00 H new ATOM 0 HA VAL A 35 9.464 7.487 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 35 11.672 6.277 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.038 8.313 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.611 8.287 -4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.627 9.330 -3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.922 7.297 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.512 8.313 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.411 6.545 -0.802 1.00 0.00 H new ATOM 556 N ALA A 36 8.398 5.381 -3.205 1.00 0.00 N ATOM 557 CA ALA A 36 7.748 4.125 -2.757 1.00 0.00 C ATOM 558 C ALA A 36 8.595 2.906 -3.135 1.00 0.00 C ATOM 559 O ALA A 36 9.717 3.028 -3.587 1.00 0.00 O ATOM 560 CB ALA A 36 6.400 4.099 -3.474 1.00 0.00 C ATOM 0 H ALA A 36 8.173 5.676 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 36 7.633 4.089 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.856 3.197 -3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.819 4.976 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.561 4.106 -4.552 1.00 0.00 H new ATOM 566 N ALA A 37 8.062 1.732 -2.945 1.00 0.00 N ATOM 567 CA ALA A 37 8.825 0.497 -3.281 1.00 0.00 C ATOM 568 C ALA A 37 8.049 -0.335 -4.305 1.00 0.00 C ATOM 569 O ALA A 37 6.842 -0.271 -4.378 1.00 0.00 O ATOM 570 CB ALA A 37 8.948 -0.259 -1.958 1.00 0.00 C ATOM 0 H ALA A 37 7.127 1.573 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 37 9.799 0.714 -3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.500 -1.185 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.479 0.359 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.953 -0.490 -1.577 1.00 0.00 H new ATOM 576 N THR A 38 8.732 -1.108 -5.099 1.00 0.00 N ATOM 577 CA THR A 38 8.028 -1.934 -6.124 1.00 0.00 C ATOM 578 C THR A 38 8.379 -3.417 -5.990 1.00 0.00 C ATOM 579 O THR A 38 9.289 -3.798 -5.280 1.00 0.00 O ATOM 580 CB THR A 38 8.501 -1.400 -7.475 1.00 0.00 C ATOM 581 OG1 THR A 38 7.809 -2.085 -8.509 1.00 0.00 O ATOM 582 CG2 THR A 38 10.004 -1.636 -7.625 1.00 0.00 C ATOM 0 H THR A 38 9.747 -1.206 -5.085 1.00 0.00 H new ATOM 0 HA THR A 38 6.947 -1.863 -6.006 1.00 0.00 H new ATOM 0 HB THR A 38 8.299 -0.331 -7.538 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.331 -2.865 -8.791 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.338 -1.254 -8.590 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.535 -1.118 -6.826 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.212 -2.704 -7.566 1.00 0.00 H new ATOM 590 N ALA A 39 7.635 -4.245 -6.672 1.00 0.00 N ATOM 591 CA ALA A 39 7.850 -5.720 -6.614 1.00 0.00 C ATOM 592 C ALA A 39 7.876 -6.183 -5.164 1.00 0.00 C ATOM 593 O ALA A 39 8.051 -5.405 -4.264 1.00 0.00 O ATOM 594 CB ALA A 39 9.184 -6.006 -7.289 1.00 0.00 C ATOM 0 H ALA A 39 6.870 -3.954 -7.281 1.00 0.00 H new ATOM 0 HA ALA A 39 7.045 -6.254 -7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.380 -7.078 -7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.149 -5.664 -8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.979 -5.481 -6.760 1.00 0.00 H new ATOM 600 N SER A 40 7.655 -7.441 -4.936 1.00 0.00 N ATOM 601 CA SER A 40 7.632 -7.953 -3.540 1.00 0.00 C ATOM 602 C SER A 40 9.055 -8.084 -2.996 1.00 0.00 C ATOM 603 O SER A 40 9.971 -8.456 -3.703 1.00 0.00 O ATOM 604 CB SER A 40 6.952 -9.313 -3.630 1.00 0.00 C ATOM 605 OG SER A 40 7.854 -10.259 -4.185 1.00 0.00 O ATOM 0 H SER A 40 7.488 -8.142 -5.658 1.00 0.00 H new ATOM 0 HA SER A 40 7.104 -7.283 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.632 -9.637 -2.640 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.056 -9.243 -4.247 1.00 0.00 H new ATOM 0 HG SER A 40 7.417 -11.134 -4.241 1.00 0.00 H new ATOM 611 N ARG A 41 9.247 -7.774 -1.744 1.00 0.00 N ATOM 612 CA ARG A 41 10.604 -7.872 -1.151 1.00 0.00 C ATOM 613 C ARG A 41 10.508 -8.048 0.367 1.00 0.00 C ATOM 614 O ARG A 41 9.985 -7.205 1.067 1.00 0.00 O ATOM 615 CB ARG A 41 11.280 -6.545 -1.496 1.00 0.00 C ATOM 616 CG ARG A 41 12.789 -6.757 -1.635 1.00 0.00 C ATOM 617 CD ARG A 41 13.125 -7.112 -3.085 1.00 0.00 C ATOM 618 NE ARG A 41 14.429 -6.443 -3.349 1.00 0.00 N ATOM 619 CZ ARG A 41 15.053 -6.650 -4.476 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.674 -6.025 -5.557 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.057 -7.483 -4.523 1.00 0.00 N ATOM 0 H ARG A 41 8.518 -7.456 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 41 11.162 -8.727 -1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.871 -6.148 -2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.076 -5.809 -0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.322 -5.854 -1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.117 -7.555 -0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.199 -8.191 -3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.353 -6.757 -3.768 1.00 0.00 H new ATOM 0 HE ARG A 41 14.835 -5.823 -2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.889 -5.374 -5.521 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.162 -6.187 -6.438 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.354 -7.972 -3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.545 -7.645 -5.404 1.00 0.00 H new ATOM 635 N MET A 42 11.010 -9.138 0.879 1.00 0.00 N ATOM 636 CA MET A 42 10.949 -9.371 2.350 1.00 0.00 C ATOM 637 C MET A 42 11.714 -8.269 3.093 1.00 0.00 C ATOM 638 O MET A 42 11.361 -7.885 4.191 1.00 0.00 O ATOM 639 CB MET A 42 11.619 -10.729 2.561 1.00 0.00 C ATOM 640 CG MET A 42 10.796 -11.819 1.870 1.00 0.00 C ATOM 641 SD MET A 42 11.688 -13.391 1.950 1.00 0.00 S ATOM 642 CE MET A 42 12.845 -13.058 0.599 1.00 0.00 C ATOM 0 H MET A 42 11.461 -9.879 0.341 1.00 0.00 H new ATOM 0 HA MET A 42 9.928 -9.357 2.730 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.632 -10.713 2.158 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.703 -10.943 3.626 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.823 -11.916 2.352 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.611 -11.546 0.831 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.670 -13.764 -0.212 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.696 -12.042 0.234 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.868 -13.167 0.960 1.00 0.00 H new ATOM 652 N GLN A 43 12.759 -7.757 2.499 1.00 0.00 N ATOM 653 CA GLN A 43 13.549 -6.679 3.164 1.00 0.00 C ATOM 654 C GLN A 43 12.708 -5.407 3.283 1.00 0.00 C ATOM 655 O GLN A 43 12.341 -4.994 4.365 1.00 0.00 O ATOM 656 CB GLN A 43 14.746 -6.442 2.244 1.00 0.00 C ATOM 657 CG GLN A 43 15.509 -7.755 2.051 1.00 0.00 C ATOM 658 CD GLN A 43 15.823 -8.369 3.418 1.00 0.00 C ATOM 659 OE1 GLN A 43 15.814 -9.574 3.571 1.00 0.00 O ATOM 660 NE2 GLN A 43 16.105 -7.587 4.423 1.00 0.00 N ATOM 0 H GLN A 43 13.100 -8.039 1.580 1.00 0.00 H new ATOM 0 HA GLN A 43 13.857 -6.954 4.173 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.408 -6.060 1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 43 15.404 -5.686 2.673 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.915 -8.449 1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.433 -7.574 1.501 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.113 -6.575 4.295 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.318 -7.987 5.337 1.00 0.00 H new ATOM 669 N GLU A 44 12.398 -4.781 2.180 1.00 0.00 N ATOM 670 CA GLU A 44 11.580 -3.540 2.239 1.00 0.00 C ATOM 671 C GLU A 44 10.219 -3.840 2.873 1.00 0.00 C ATOM 672 O GLU A 44 9.731 -3.090 3.694 1.00 0.00 O ATOM 673 CB GLU A 44 11.422 -3.097 0.787 1.00 0.00 C ATOM 674 CG GLU A 44 12.682 -2.348 0.349 1.00 0.00 C ATOM 675 CD GLU A 44 12.548 -1.932 -1.115 1.00 0.00 C ATOM 676 OE1 GLU A 44 12.844 -2.748 -1.971 1.00 0.00 O ATOM 677 OE2 GLU A 44 12.152 -0.804 -1.355 1.00 0.00 O ATOM 0 H GLU A 44 12.676 -5.076 1.244 1.00 0.00 H new ATOM 0 HA GLU A 44 12.045 -2.763 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.258 -3.963 0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.548 -2.454 0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.831 -1.468 0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.558 -2.983 0.478 1.00 0.00 H new ATOM 684 N ALA A 45 9.605 -4.935 2.511 1.00 0.00 N ATOM 685 CA ALA A 45 8.284 -5.270 3.116 1.00 0.00 C ATOM 686 C ALA A 45 8.361 -5.065 4.629 1.00 0.00 C ATOM 687 O ALA A 45 7.631 -4.280 5.200 1.00 0.00 O ATOM 688 CB ALA A 45 8.048 -6.745 2.784 1.00 0.00 C ATOM 0 H ALA A 45 9.957 -5.606 1.829 1.00 0.00 H new ATOM 0 HA ALA A 45 7.476 -4.645 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.091 -7.063 3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.036 -6.877 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.848 -7.347 3.214 1.00 0.00 H new ATOM 694 N LEU A 46 9.259 -5.751 5.277 1.00 0.00 N ATOM 695 CA LEU A 46 9.408 -5.584 6.748 1.00 0.00 C ATOM 696 C LEU A 46 9.420 -4.095 7.080 1.00 0.00 C ATOM 697 O LEU A 46 8.794 -3.645 8.019 1.00 0.00 O ATOM 698 CB LEU A 46 10.758 -6.223 7.068 1.00 0.00 C ATOM 699 CG LEU A 46 11.258 -5.738 8.429 1.00 0.00 C ATOM 700 CD1 LEU A 46 11.969 -6.885 9.148 1.00 0.00 C ATOM 701 CD2 LEU A 46 12.242 -4.584 8.225 1.00 0.00 C ATOM 0 H LEU A 46 9.898 -6.422 4.850 1.00 0.00 H new ATOM 0 HA LEU A 46 8.600 -6.039 7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.664 -7.309 7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.482 -5.969 6.294 1.00 0.00 H new ATOM 0 HG LEU A 46 10.413 -5.399 9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.326 -6.540 10.119 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.273 -7.712 9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.815 -7.221 8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.600 -4.236 9.194 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.087 -4.927 7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.741 -3.766 7.708 1.00 0.00 H new ATOM 713 N ASP A 47 10.129 -3.330 6.300 1.00 0.00 N ATOM 714 CA ASP A 47 10.191 -1.863 6.544 1.00 0.00 C ATOM 715 C ASP A 47 8.789 -1.248 6.444 1.00 0.00 C ATOM 716 O ASP A 47 8.502 -0.240 7.058 1.00 0.00 O ATOM 717 CB ASP A 47 11.103 -1.315 5.445 1.00 0.00 C ATOM 718 CG ASP A 47 12.425 -0.856 6.062 1.00 0.00 C ATOM 719 OD1 ASP A 47 13.046 -1.655 6.743 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.794 0.286 5.844 1.00 0.00 O ATOM 0 H ASP A 47 10.671 -3.659 5.501 1.00 0.00 H new ATOM 0 HA ASP A 47 10.568 -1.625 7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.287 -2.083 4.694 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.618 -0.482 4.937 1.00 0.00 H new ATOM 725 N ILE A 48 7.908 -1.853 5.684 1.00 0.00 N ATOM 726 CA ILE A 48 6.529 -1.302 5.564 1.00 0.00 C ATOM 727 C ILE A 48 5.688 -1.790 6.743 1.00 0.00 C ATOM 728 O ILE A 48 4.733 -1.171 7.122 1.00 0.00 O ATOM 729 CB ILE A 48 5.943 -1.790 4.213 1.00 0.00 C ATOM 730 CG1 ILE A 48 5.080 -3.047 4.400 1.00 0.00 C ATOM 731 CG2 ILE A 48 7.062 -2.101 3.226 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.801 -3.686 3.033 1.00 0.00 C ATOM 0 H ILE A 48 8.087 -2.701 5.145 1.00 0.00 H new ATOM 0 HA ILE A 48 6.532 -0.212 5.584 1.00 0.00 H new ATOM 0 HB ILE A 48 5.319 -0.987 3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.591 -3.759 5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.142 -2.787 4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.632 -2.442 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.653 -1.202 3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.702 -2.882 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.189 -4.578 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.272 -2.974 2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.744 -3.961 2.561 1.00 0.00 H new ATOM 744 N ALA A 49 6.031 -2.901 7.326 1.00 0.00 N ATOM 745 CA ALA A 49 5.235 -3.399 8.475 1.00 0.00 C ATOM 746 C ALA A 49 5.843 -2.925 9.799 1.00 0.00 C ATOM 747 O ALA A 49 5.187 -2.299 10.608 1.00 0.00 O ATOM 748 CB ALA A 49 5.299 -4.919 8.375 1.00 0.00 C ATOM 0 H ALA A 49 6.825 -3.483 7.058 1.00 0.00 H new ATOM 0 HA ALA A 49 4.210 -3.029 8.450 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.732 -5.362 9.194 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.874 -5.239 7.424 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.338 -5.244 8.436 1.00 0.00 H new ATOM 754 N ARG A 50 7.089 -3.238 10.028 1.00 0.00 N ATOM 755 CA ARG A 50 7.750 -2.829 11.302 1.00 0.00 C ATOM 756 C ARG A 50 7.672 -1.312 11.503 1.00 0.00 C ATOM 757 O ARG A 50 7.762 -0.823 12.612 1.00 0.00 O ATOM 758 CB ARG A 50 9.207 -3.264 11.139 1.00 0.00 C ATOM 759 CG ARG A 50 9.530 -4.361 12.153 1.00 0.00 C ATOM 760 CD ARG A 50 8.999 -5.701 11.641 1.00 0.00 C ATOM 761 NE ARG A 50 8.153 -6.222 12.749 1.00 0.00 N ATOM 762 CZ ARG A 50 7.348 -7.225 12.539 1.00 0.00 C ATOM 763 NH1 ARG A 50 7.789 -8.298 11.940 1.00 0.00 N ATOM 764 NH2 ARG A 50 6.102 -7.156 12.926 1.00 0.00 N ATOM 0 H ARG A 50 7.682 -3.762 9.384 1.00 0.00 H new ATOM 0 HA ARG A 50 7.270 -3.281 12.170 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.377 -3.629 10.126 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.870 -2.412 11.286 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.607 -4.420 12.310 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.080 -4.124 13.117 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.419 -5.574 10.727 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.814 -6.387 11.409 1.00 0.00 H new ATOM 0 HE ARG A 50 8.203 -5.794 13.673 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.762 -8.350 11.638 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.161 -9.084 11.775 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.759 -6.317 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.473 -7.942 12.761 1.00 0.00 H new ATOM 778 N LYS A 51 7.528 -0.562 10.447 1.00 0.00 N ATOM 779 CA LYS A 51 7.472 0.921 10.594 1.00 0.00 C ATOM 780 C LYS A 51 6.281 1.355 11.453 1.00 0.00 C ATOM 781 O LYS A 51 6.413 2.175 12.339 1.00 0.00 O ATOM 782 CB LYS A 51 7.312 1.462 9.176 1.00 0.00 C ATOM 783 CG LYS A 51 7.133 2.980 9.239 1.00 0.00 C ATOM 784 CD LYS A 51 8.388 3.660 8.688 1.00 0.00 C ATOM 785 CE LYS A 51 8.414 5.123 9.132 1.00 0.00 C ATOM 786 NZ LYS A 51 9.104 5.111 10.452 1.00 0.00 N ATOM 0 H LYS A 51 7.447 -0.909 9.491 1.00 0.00 H new ATOM 0 HA LYS A 51 8.367 1.299 11.088 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.187 1.211 8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.451 1.001 8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.259 3.279 8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.957 3.295 10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.280 3.145 9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.399 3.599 7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.948 5.745 8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.406 5.528 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.161 6.081 10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.570 4.517 11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.064 4.727 10.339 1.00 0.00 H new ATOM 800 N GLY A 52 5.118 0.828 11.191 1.00 0.00 N ATOM 801 CA GLY A 52 3.927 1.236 11.989 1.00 0.00 C ATOM 802 C GLY A 52 3.326 2.504 11.378 1.00 0.00 C ATOM 803 O GLY A 52 2.131 2.612 11.195 1.00 0.00 O ATOM 0 H GLY A 52 4.940 0.136 10.463 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.187 0.435 11.997 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.212 1.417 13.025 1.00 0.00 H new ATOM 807 N GLN A 53 4.150 3.464 11.057 1.00 0.00 N ATOM 808 CA GLN A 53 3.630 4.725 10.452 1.00 0.00 C ATOM 809 C GLN A 53 4.314 4.973 9.103 1.00 0.00 C ATOM 810 O GLN A 53 4.875 6.023 8.857 1.00 0.00 O ATOM 811 CB GLN A 53 3.986 5.821 11.454 1.00 0.00 C ATOM 812 CG GLN A 53 5.485 5.779 11.745 1.00 0.00 C ATOM 813 CD GLN A 53 6.102 7.147 11.450 1.00 0.00 C ATOM 814 OE1 GLN A 53 6.684 7.352 10.402 1.00 0.00 O ATOM 815 NE2 GLN A 53 5.996 8.101 12.334 1.00 0.00 N ATOM 0 H GLN A 53 5.161 3.430 11.187 1.00 0.00 H new ATOM 0 HA GLN A 53 2.557 4.689 10.263 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.710 6.797 11.055 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.422 5.682 12.376 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.656 5.508 12.787 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.963 5.013 11.134 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.508 7.930 13.213 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.401 9.018 12.146 1.00 0.00 H new ATOM 824 N PHE A 54 4.255 4.009 8.228 1.00 0.00 N ATOM 825 CA PHE A 54 4.883 4.166 6.880 1.00 0.00 C ATOM 826 C PHE A 54 3.837 4.695 5.891 1.00 0.00 C ATOM 827 O PHE A 54 4.013 4.651 4.690 1.00 0.00 O ATOM 828 CB PHE A 54 5.362 2.764 6.468 1.00 0.00 C ATOM 829 CG PHE A 54 4.213 1.790 6.539 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.920 1.138 7.739 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.433 1.557 5.408 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.843 0.252 7.810 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.354 0.673 5.478 1.00 0.00 C ATOM 834 CZ PHE A 54 2.057 0.019 6.679 1.00 0.00 C ATOM 0 H PHE A 54 3.796 3.112 8.387 1.00 0.00 H new ATOM 0 HA PHE A 54 5.714 4.872 6.892 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.766 2.791 5.456 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.168 2.438 7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.527 1.319 8.613 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.662 2.059 4.480 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.618 -0.252 8.738 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.747 0.494 4.603 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.222 -0.664 6.731 1.00 0.00 H new ATOM 844 N ASP A 55 2.758 5.213 6.412 1.00 0.00 N ATOM 845 CA ASP A 55 1.673 5.783 5.567 1.00 0.00 C ATOM 846 C ASP A 55 0.986 4.730 4.679 1.00 0.00 C ATOM 847 O ASP A 55 -0.220 4.660 4.669 1.00 0.00 O ATOM 848 CB ASP A 55 2.347 6.855 4.731 1.00 0.00 C ATOM 849 CG ASP A 55 1.282 7.637 3.960 1.00 0.00 C ATOM 850 OD1 ASP A 55 0.423 8.221 4.601 1.00 0.00 O ATOM 851 OD2 ASP A 55 1.345 7.641 2.742 1.00 0.00 O ATOM 0 H ASP A 55 2.580 5.265 7.415 1.00 0.00 H new ATOM 0 HA ASP A 55 0.870 6.182 6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.916 7.528 5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.055 6.401 4.038 1.00 0.00 H new ATOM 856 N ILE A 56 1.708 3.925 3.925 1.00 0.00 N ATOM 857 CA ILE A 56 1.000 2.912 3.058 1.00 0.00 C ATOM 858 C ILE A 56 1.912 1.727 2.673 1.00 0.00 C ATOM 859 O ILE A 56 3.109 1.872 2.533 1.00 0.00 O ATOM 860 CB ILE A 56 0.579 3.682 1.803 1.00 0.00 C ATOM 861 CG1 ILE A 56 -0.583 4.624 2.150 1.00 0.00 C ATOM 862 CG2 ILE A 56 0.139 2.678 0.734 1.00 0.00 C ATOM 863 CD1 ILE A 56 -1.222 5.173 0.872 1.00 0.00 C ATOM 0 H ILE A 56 2.727 3.921 3.870 1.00 0.00 H new ATOM 0 HA ILE A 56 0.155 2.475 3.590 1.00 0.00 H new ATOM 0 HB ILE A 56 1.413 4.273 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.330 4.090 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.221 5.447 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.164 3.214 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.968 2.011 0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.701 2.093 1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.044 5.839 1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.476 5.725 0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.602 4.347 0.271 1.00 0.00 H new ATOM 875 N ALA A 57 1.340 0.547 2.483 1.00 0.00 N ATOM 876 CA ALA A 57 2.171 -0.648 2.099 1.00 0.00 C ATOM 877 C ALA A 57 1.305 -1.641 1.319 1.00 0.00 C ATOM 878 O ALA A 57 0.215 -1.963 1.735 1.00 0.00 O ATOM 879 CB ALA A 57 2.622 -1.269 3.421 1.00 0.00 C ATOM 0 H ALA A 57 0.341 0.365 2.578 1.00 0.00 H new ATOM 0 HA ALA A 57 3.019 -0.379 1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.234 -2.148 3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.206 -0.541 3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.748 -1.561 4.003 1.00 0.00 H new ATOM 885 N ILE A 58 1.750 -2.120 0.184 1.00 0.00 N ATOM 886 CA ILE A 58 0.875 -3.057 -0.585 1.00 0.00 C ATOM 887 C ILE A 58 1.596 -4.328 -1.059 1.00 0.00 C ATOM 888 O ILE A 58 2.268 -4.336 -2.069 1.00 0.00 O ATOM 889 CB ILE A 58 0.418 -2.244 -1.796 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.583 -1.182 -1.345 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.251 -3.169 -2.814 1.00 0.00 C ATOM 892 CD1 ILE A 58 0.165 0.086 -0.933 1.00 0.00 C ATOM 0 H ILE A 58 2.656 -1.910 -0.235 1.00 0.00 H new ATOM 0 HA ILE A 58 0.061 -3.414 0.046 1.00 0.00 H new ATOM 0 HB ILE A 58 1.282 -1.764 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.280 -0.959 -2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.173 -1.556 -0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.576 -2.587 -3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.460 -3.930 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.115 -3.651 -2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.551 0.843 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.844 -0.143 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.736 0.464 -1.781 1.00 0.00 H new ATOM 904 N ILE A 59 1.390 -5.420 -0.372 1.00 0.00 N ATOM 905 CA ILE A 59 1.983 -6.714 -0.816 1.00 0.00 C ATOM 906 C ILE A 59 0.890 -7.469 -1.579 1.00 0.00 C ATOM 907 O ILE A 59 0.382 -8.481 -1.140 1.00 0.00 O ATOM 908 CB ILE A 59 2.383 -7.438 0.468 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.677 -6.820 1.004 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.606 -8.918 0.162 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.644 -6.782 2.534 1.00 0.00 C ATOM 0 H ILE A 59 0.834 -5.471 0.481 1.00 0.00 H new ATOM 0 HA ILE A 59 2.850 -6.613 -1.469 1.00 0.00 H new ATOM 0 HB ILE A 59 1.595 -7.340 1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.535 -7.401 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.799 -5.811 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.892 -9.439 1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.686 -9.351 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.400 -9.021 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.568 -6.341 2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.796 -6.182 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.544 -7.796 2.921 1.00 0.00 H new ATOM 923 N ASP A 60 0.500 -6.930 -2.704 1.00 0.00 N ATOM 924 CA ASP A 60 -0.601 -7.531 -3.521 1.00 0.00 C ATOM 925 C ASP A 60 -0.278 -8.959 -3.980 1.00 0.00 C ATOM 926 O ASP A 60 0.763 -9.502 -3.687 1.00 0.00 O ATOM 927 CB ASP A 60 -0.745 -6.560 -4.714 1.00 0.00 C ATOM 928 CG ASP A 60 -0.735 -7.308 -6.054 1.00 0.00 C ATOM 929 OD1 ASP A 60 0.345 -7.539 -6.573 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.807 -7.637 -6.535 1.00 0.00 O ATOM 0 H ASP A 60 0.905 -6.082 -3.100 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.524 -7.639 -2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.674 -5.998 -4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.069 -5.835 -4.695 1.00 0.00 H new ATOM 935 N VAL A 61 -1.198 -9.543 -4.712 1.00 0.00 N ATOM 936 CA VAL A 61 -1.028 -10.927 -5.245 1.00 0.00 C ATOM 937 C VAL A 61 -0.884 -11.954 -4.104 1.00 0.00 C ATOM 938 O VAL A 61 0.179 -12.442 -3.783 1.00 0.00 O ATOM 939 CB VAL A 61 0.184 -10.841 -6.202 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.465 -11.416 -5.583 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.138 -11.623 -7.477 1.00 0.00 C ATOM 0 H VAL A 61 -2.082 -9.103 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.899 -11.289 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 61 0.362 -9.787 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.284 -11.331 -6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.713 -10.861 -4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.309 -12.466 -5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.710 -11.570 -8.160 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.336 -12.665 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.017 -11.192 -7.956 1.00 0.00 H new ATOM 951 N ASN A 62 -1.990 -12.295 -3.498 1.00 0.00 N ATOM 952 CA ASN A 62 -1.975 -13.298 -2.395 1.00 0.00 C ATOM 953 C ASN A 62 -2.733 -14.547 -2.848 1.00 0.00 C ATOM 954 O ASN A 62 -3.686 -14.969 -2.225 1.00 0.00 O ATOM 955 CB ASN A 62 -2.708 -12.622 -1.234 1.00 0.00 C ATOM 956 CG ASN A 62 -1.709 -11.834 -0.385 1.00 0.00 C ATOM 957 OD1 ASN A 62 -1.648 -12.005 0.816 1.00 0.00 O ATOM 958 ND2 ASN A 62 -0.918 -10.973 -0.962 1.00 0.00 N ATOM 0 H ASN A 62 -2.911 -11.918 -3.722 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.968 -13.603 -2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.480 -11.955 -1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.209 -13.371 -0.622 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.248 -10.443 -0.405 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.969 -10.829 -1.971 1.00 0.00 H new ATOM 965 N LEU A 63 -2.324 -15.128 -3.942 1.00 0.00 N ATOM 966 CA LEU A 63 -3.026 -16.337 -4.455 1.00 0.00 C ATOM 967 C LEU A 63 -2.008 -17.384 -4.911 1.00 0.00 C ATOM 968 O LEU A 63 -0.844 -17.091 -5.099 1.00 0.00 O ATOM 969 CB LEU A 63 -3.838 -15.830 -5.650 1.00 0.00 C ATOM 970 CG LEU A 63 -5.333 -16.024 -5.389 1.00 0.00 C ATOM 971 CD1 LEU A 63 -5.712 -15.374 -4.057 1.00 0.00 C ATOM 972 CD2 LEU A 63 -6.134 -15.367 -6.517 1.00 0.00 C ATOM 0 H LEU A 63 -1.532 -14.816 -4.504 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.652 -16.810 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.625 -14.775 -5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.546 -16.367 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.557 -17.090 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.777 -15.514 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.142 -15.836 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.487 -14.308 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.200 -15.504 -6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.906 -14.302 -6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.868 -15.827 -7.468 1.00 0.00 H new ATOM 984 N ASP A 64 -2.436 -18.601 -5.095 1.00 0.00 N ATOM 985 CA ASP A 64 -1.491 -19.664 -5.545 1.00 0.00 C ATOM 986 C ASP A 64 -0.295 -19.752 -4.592 1.00 0.00 C ATOM 987 O ASP A 64 0.754 -20.253 -4.946 1.00 0.00 O ATOM 988 CB ASP A 64 -1.026 -19.223 -6.935 1.00 0.00 C ATOM 989 CG ASP A 64 -1.140 -20.398 -7.909 1.00 0.00 C ATOM 990 OD1 ASP A 64 -0.652 -21.466 -7.579 1.00 0.00 O ATOM 991 OD2 ASP A 64 -1.711 -20.209 -8.971 1.00 0.00 O ATOM 0 H ASP A 64 -3.399 -18.907 -4.954 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.961 -20.647 -5.561 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.632 -18.387 -7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.005 -18.872 -6.891 1.00 0.00 H new ATOM 996 N GLY A 65 -0.442 -19.274 -3.385 1.00 0.00 N ATOM 997 CA GLY A 65 0.693 -19.338 -2.421 1.00 0.00 C ATOM 998 C GLY A 65 0.627 -18.169 -1.437 1.00 0.00 C ATOM 999 O GLY A 65 1.345 -18.136 -0.459 1.00 0.00 O ATOM 0 H GLY A 65 -1.295 -18.844 -3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.662 -20.282 -1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.639 -19.313 -2.962 1.00 0.00 H new ATOM 1003 N GLU A 66 -0.217 -17.209 -1.686 1.00 0.00 N ATOM 1004 CA GLU A 66 -0.317 -16.042 -0.764 1.00 0.00 C ATOM 1005 C GLU A 66 1.094 -15.548 -0.386 1.00 0.00 C ATOM 1006 O GLU A 66 1.451 -15.441 0.769 1.00 0.00 O ATOM 1007 CB GLU A 66 -1.143 -16.558 0.440 1.00 0.00 C ATOM 1008 CG GLU A 66 -0.258 -16.898 1.645 1.00 0.00 C ATOM 1009 CD GLU A 66 -0.974 -17.913 2.537 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -1.491 -18.881 2.003 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -0.993 -17.705 3.738 1.00 0.00 O ATOM 0 H GLU A 66 -0.844 -17.181 -2.490 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.807 -15.174 -1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.873 -15.802 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.703 -17.444 0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.695 -17.305 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.035 -15.994 2.212 1.00 0.00 H new ATOM 1018 N PRO A 67 1.855 -15.243 -1.402 1.00 0.00 N ATOM 1019 CA PRO A 67 3.241 -14.750 -1.197 1.00 0.00 C ATOM 1020 C PRO A 67 3.235 -13.365 -0.546 1.00 0.00 C ATOM 1021 O PRO A 67 3.798 -12.422 -1.064 1.00 0.00 O ATOM 1022 CB PRO A 67 3.814 -14.689 -2.610 1.00 0.00 C ATOM 1023 CG PRO A 67 2.619 -14.564 -3.500 1.00 0.00 C ATOM 1024 CD PRO A 67 1.503 -15.318 -2.823 1.00 0.00 C ATOM 0 HA PRO A 67 3.825 -15.387 -0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.486 -13.839 -2.728 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.389 -15.585 -2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.349 -13.518 -3.644 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.825 -14.978 -4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.533 -14.863 -3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.448 -16.350 -3.169 1.00 0.00 H new ATOM 1032 N SER A 68 2.614 -13.242 0.593 1.00 0.00 N ATOM 1033 CA SER A 68 2.582 -11.927 1.287 1.00 0.00 C ATOM 1034 C SER A 68 3.368 -12.024 2.597 1.00 0.00 C ATOM 1035 O SER A 68 3.324 -11.137 3.427 1.00 0.00 O ATOM 1036 CB SER A 68 1.103 -11.657 1.556 1.00 0.00 C ATOM 1037 OG SER A 68 0.632 -12.572 2.535 1.00 0.00 O ATOM 0 H SER A 68 2.126 -13.998 1.074 1.00 0.00 H new ATOM 0 HA SER A 68 3.032 -11.126 0.700 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.965 -10.633 1.902 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.528 -11.763 0.636 1.00 0.00 H new ATOM 0 HG SER A 68 -0.057 -12.140 3.082 1.00 0.00 H new ATOM 1043 N TYR A 69 4.097 -13.103 2.774 1.00 0.00 N ATOM 1044 CA TYR A 69 4.907 -13.306 4.015 1.00 0.00 C ATOM 1045 C TYR A 69 4.041 -13.056 5.243 1.00 0.00 C ATOM 1046 O TYR A 69 2.929 -12.580 5.140 1.00 0.00 O ATOM 1047 CB TYR A 69 6.089 -12.310 3.977 1.00 0.00 C ATOM 1048 CG TYR A 69 6.037 -11.433 2.746 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.143 -12.002 1.472 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.863 -10.054 2.884 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.080 -11.187 0.336 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.798 -9.239 1.752 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.904 -9.805 0.475 1.00 0.00 C ATOM 1054 OH TYR A 69 5.836 -9.002 -0.646 1.00 0.00 O ATOM 0 H TYR A 69 4.164 -13.863 2.097 1.00 0.00 H new ATOM 0 HA TYR A 69 5.281 -14.328 4.067 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.069 -11.686 4.870 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.030 -12.860 3.993 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.273 -13.069 1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.779 -9.617 3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.167 -11.624 -0.648 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.666 -8.173 1.861 1.00 0.00 H new ATOM 0 HH TYR A 69 6.644 -8.450 -0.702 1.00 0.00 H new ATOM 1064 N PRO A 70 4.583 -13.383 6.373 1.00 0.00 N ATOM 1065 CA PRO A 70 3.848 -13.175 7.634 1.00 0.00 C ATOM 1066 C PRO A 70 3.764 -11.679 7.921 1.00 0.00 C ATOM 1067 O PRO A 70 3.023 -11.238 8.770 1.00 0.00 O ATOM 1068 CB PRO A 70 4.705 -13.896 8.669 1.00 0.00 C ATOM 1069 CG PRO A 70 6.082 -13.915 8.084 1.00 0.00 C ATOM 1070 CD PRO A 70 5.912 -13.965 6.589 1.00 0.00 C ATOM 0 HA PRO A 70 2.824 -13.548 7.622 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.690 -13.375 9.626 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.339 -14.907 8.850 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.642 -13.028 8.381 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.642 -14.780 8.440 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.687 -13.394 6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.968 -14.987 6.213 1.00 0.00 H new ATOM 1078 N VAL A 71 4.513 -10.892 7.203 1.00 0.00 N ATOM 1079 CA VAL A 71 4.473 -9.424 7.429 1.00 0.00 C ATOM 1080 C VAL A 71 3.142 -8.862 6.938 1.00 0.00 C ATOM 1081 O VAL A 71 2.325 -8.401 7.707 1.00 0.00 O ATOM 1082 CB VAL A 71 5.613 -8.869 6.585 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.777 -7.374 6.854 1.00 0.00 C ATOM 1084 CG2 VAL A 71 6.913 -9.592 6.931 1.00 0.00 C ATOM 0 H VAL A 71 5.151 -11.202 6.470 1.00 0.00 H new ATOM 0 HA VAL A 71 4.572 -9.162 8.482 1.00 0.00 H new ATOM 0 HB VAL A 71 5.382 -9.024 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.594 -6.983 6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.854 -6.855 6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.001 -7.217 7.909 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.725 -9.191 6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.142 -9.444 7.986 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.802 -10.657 6.729 1.00 0.00 H new ATOM 1094 N ALA A 72 2.928 -8.908 5.653 1.00 0.00 N ATOM 1095 CA ALA A 72 1.660 -8.388 5.077 1.00 0.00 C ATOM 1096 C ALA A 72 0.462 -9.051 5.742 1.00 0.00 C ATOM 1097 O ALA A 72 -0.423 -8.391 6.251 1.00 0.00 O ATOM 1098 CB ALA A 72 1.714 -8.786 3.609 1.00 0.00 C ATOM 0 H ALA A 72 3.585 -9.288 4.972 1.00 0.00 H new ATOM 0 HA ALA A 72 1.556 -7.313 5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.812 -8.440 3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.588 -8.333 3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.781 -9.871 3.528 1.00 0.00 H new ATOM 1104 N ASP A 73 0.422 -10.354 5.739 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.727 -11.047 6.367 1.00 0.00 C ATOM 1106 C ASP A 73 -0.949 -10.494 7.769 1.00 0.00 C ATOM 1107 O ASP A 73 -2.018 -10.024 8.105 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.325 -12.514 6.427 1.00 0.00 C ATOM 1109 CG ASP A 73 -0.810 -13.232 5.169 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -1.014 -12.563 4.170 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -0.972 -14.441 5.225 1.00 0.00 O ATOM 0 H ASP A 73 1.132 -10.962 5.331 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.654 -10.909 5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.758 -12.601 6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.753 -12.983 7.313 1.00 0.00 H new ATOM 1116 N ILE A 74 0.068 -10.523 8.582 1.00 0.00 N ATOM 1117 CA ILE A 74 -0.075 -9.973 9.955 1.00 0.00 C ATOM 1118 C ILE A 74 -0.509 -8.518 9.837 1.00 0.00 C ATOM 1119 O ILE A 74 -1.435 -8.071 10.485 1.00 0.00 O ATOM 1120 CB ILE A 74 1.314 -10.072 10.585 1.00 0.00 C ATOM 1121 CG1 ILE A 74 1.598 -11.522 10.981 1.00 0.00 C ATOM 1122 CG2 ILE A 74 1.378 -9.192 11.834 1.00 0.00 C ATOM 1123 CD1 ILE A 74 3.097 -11.687 11.239 1.00 0.00 C ATOM 0 H ILE A 74 0.988 -10.902 8.356 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.811 -10.505 10.557 1.00 0.00 H new ATOM 0 HB ILE A 74 2.057 -9.736 9.861 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.032 -11.785 11.874 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.276 -12.198 10.189 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.370 -9.265 12.280 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.179 -8.156 11.560 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.631 -9.527 12.554 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.306 -12.719 11.522 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.651 -11.439 10.334 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.403 -11.021 12.046 1.00 0.00 H new ATOM 1135 N LEU A 75 0.147 -7.783 8.982 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.224 -6.361 8.773 1.00 0.00 C ATOM 1137 C LEU A 75 -1.734 -6.277 8.538 1.00 0.00 C ATOM 1138 O LEU A 75 -2.352 -5.253 8.747 1.00 0.00 O ATOM 1139 CB LEU A 75 0.560 -5.951 7.521 1.00 0.00 C ATOM 1140 CG LEU A 75 0.901 -4.462 7.571 1.00 0.00 C ATOM 1141 CD1 LEU A 75 2.098 -4.243 8.500 1.00 0.00 C ATOM 1142 CD2 LEU A 75 1.260 -3.984 6.162 1.00 0.00 C ATOM 0 H LEU A 75 0.930 -8.112 8.416 1.00 0.00 H new ATOM 0 HA LEU A 75 0.006 -5.713 9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.475 -6.538 7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.028 -6.166 6.629 1.00 0.00 H new ATOM 0 HG LEU A 75 0.044 -3.902 7.945 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.341 -3.181 8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.849 -4.592 9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.957 -4.800 8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.505 -2.922 6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.120 -4.545 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.412 -4.144 5.496 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.327 -7.362 8.107 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.793 -7.378 7.854 1.00 0.00 C ATOM 1156 C ALA A 76 -4.568 -7.597 9.162 1.00 0.00 C ATOM 1157 O ALA A 76 -5.416 -6.806 9.527 1.00 0.00 O ATOM 1158 CB ALA A 76 -4.011 -8.551 6.896 1.00 0.00 C ATOM 0 H ALA A 76 -1.850 -8.244 7.919 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.148 -6.435 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.071 -8.634 6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.445 -8.383 5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.672 -9.474 7.367 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.290 -8.665 9.867 1.00 0.00 N ATOM 1165 CA GLU A 77 -5.019 -8.927 11.146 1.00 0.00 C ATOM 1166 C GLU A 77 -5.161 -7.628 11.943 1.00 0.00 C ATOM 1167 O GLU A 77 -6.096 -7.443 12.699 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.145 -9.927 11.906 1.00 0.00 C ATOM 1169 CG GLU A 77 -4.045 -11.227 11.107 1.00 0.00 C ATOM 1170 CD GLU A 77 -4.943 -12.290 11.743 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -5.774 -11.926 12.560 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -4.784 -13.451 11.403 1.00 0.00 O ATOM 0 H GLU A 77 -3.592 -9.365 9.614 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.024 -9.313 10.977 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.151 -9.509 12.067 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.571 -10.124 12.890 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.345 -11.054 10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.012 -11.574 11.086 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.241 -6.726 11.763 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.298 -5.427 12.480 1.00 0.00 C ATOM 1181 C ARG A 78 -3.730 -4.338 11.572 1.00 0.00 C ATOM 1182 O ARG A 78 -2.619 -3.880 11.749 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.428 -5.609 13.725 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.063 -6.183 13.331 1.00 0.00 C ATOM 1185 CD ARG A 78 -1.467 -6.939 14.523 1.00 0.00 C ATOM 1186 NE ARG A 78 -1.351 -8.349 14.062 1.00 0.00 N ATOM 1187 CZ ARG A 78 -1.602 -9.330 14.885 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -1.573 -9.126 16.175 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -1.882 -10.515 14.416 1.00 0.00 N ATOM 0 H ARG A 78 -3.441 -6.836 11.140 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.312 -5.136 12.753 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.297 -4.652 14.230 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.923 -6.277 14.430 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.170 -6.853 12.478 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.393 -5.380 13.024 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.495 -6.533 14.802 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.109 -6.862 15.401 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.075 -8.549 13.101 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.354 -8.199 16.540 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.769 -9.894 16.817 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.904 -10.673 13.408 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.079 -11.284 15.057 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.477 -3.949 10.580 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.984 -2.921 9.628 1.00 0.00 C ATOM 1205 C ASN A 79 -3.916 -1.532 10.269 1.00 0.00 C ATOM 1206 O ASN A 79 -4.826 -1.079 10.931 1.00 0.00 O ATOM 1207 CB ASN A 79 -4.997 -2.932 8.487 1.00 0.00 C ATOM 1208 CG ASN A 79 -4.749 -4.148 7.593 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -5.593 -5.015 7.482 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -3.620 -4.253 6.948 1.00 0.00 N ATOM 0 H ASN A 79 -5.414 -4.302 10.387 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.970 -3.142 9.296 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.010 -2.963 8.887 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.912 -2.015 7.903 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.447 -5.062 6.352 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.910 -3.526 7.040 1.00 0.00 H new ATOM 1217 N VAL A 80 -2.836 -0.850 10.041 1.00 0.00 N ATOM 1218 CA VAL A 80 -2.663 0.524 10.583 1.00 0.00 C ATOM 1219 C VAL A 80 -3.011 1.505 9.441 1.00 0.00 C ATOM 1220 O VAL A 80 -3.501 1.060 8.422 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.181 0.518 10.994 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -0.298 1.174 9.925 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -1.014 1.220 12.346 1.00 0.00 C ATOM 0 H VAL A 80 -2.048 -1.192 9.491 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.289 0.819 11.425 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.856 -0.518 11.089 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.743 1.152 10.249 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.397 0.629 8.986 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.611 2.208 9.779 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.038 1.213 12.632 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.361 2.250 12.266 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.599 0.697 13.102 1.00 0.00 H new ATOM 1233 N PRO A 81 -2.760 2.791 9.587 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.091 3.704 8.470 1.00 0.00 C ATOM 1235 C PRO A 81 -2.275 3.256 7.263 1.00 0.00 C ATOM 1236 O PRO A 81 -1.070 3.129 7.337 1.00 0.00 O ATOM 1237 CB PRO A 81 -2.705 5.086 8.995 1.00 0.00 C ATOM 1238 CG PRO A 81 -1.715 4.810 10.074 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.149 3.512 10.711 1.00 0.00 C ATOM 0 HA PRO A 81 -4.134 3.710 8.154 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.273 5.704 8.208 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.573 5.621 9.380 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.707 4.728 9.668 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.699 5.618 10.805 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.305 2.965 11.132 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.859 3.676 11.521 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.923 2.950 6.172 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.173 2.432 4.995 1.00 0.00 C ATOM 1249 C PHE A 82 -3.099 2.123 3.826 1.00 0.00 C ATOM 1250 O PHE A 82 -4.161 2.689 3.667 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.542 1.121 5.487 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.580 0.007 5.498 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -3.888 0.260 5.945 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.230 -1.282 5.074 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.837 -0.768 5.971 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.184 -2.311 5.099 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.485 -2.053 5.549 1.00 0.00 C ATOM 0 H PHE A 82 -3.932 3.036 6.046 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.448 3.165 4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.709 0.845 4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.135 1.259 6.489 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.162 1.253 6.270 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.227 -1.483 4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.841 -0.569 6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.914 -3.304 4.771 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.216 -2.847 5.570 1.00 0.00 H new ATOM 1267 N ILE A 83 -2.675 1.192 3.027 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.458 0.752 1.852 1.00 0.00 C ATOM 1269 C ILE A 83 -2.965 -0.639 1.469 1.00 0.00 C ATOM 1270 O ILE A 83 -1.809 -0.963 1.686 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.116 1.752 0.760 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -4.049 2.963 0.836 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.257 1.092 -0.617 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.500 2.497 0.730 1.00 0.00 C ATOM 0 H ILE A 83 -1.788 0.703 3.146 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.533 0.709 2.027 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.087 2.082 0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.895 3.496 1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.821 3.662 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.010 1.815 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.578 0.242 -0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.283 0.749 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.164 3.360 0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.649 1.984 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.724 1.815 1.550 1.00 0.00 H new ATOM 1286 N PHE A 84 -3.818 -1.449 0.905 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.400 -2.822 0.504 1.00 0.00 C ATOM 1288 C PHE A 84 -4.300 -3.335 -0.626 1.00 0.00 C ATOM 1289 O PHE A 84 -5.319 -2.746 -0.954 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.587 -3.663 1.768 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.605 -4.818 1.788 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -1.331 -4.649 2.349 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -2.978 -6.065 1.269 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -0.433 -5.726 2.385 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -2.077 -7.139 1.305 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.808 -6.969 1.863 1.00 0.00 C ATOM 0 H PHE A 84 -4.791 -1.218 0.704 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.376 -2.860 0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.443 -3.040 2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.607 -4.045 1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.041 -3.690 2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.960 -6.199 0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.549 -5.596 2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.365 -8.098 0.901 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.116 -7.797 1.892 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.942 -4.429 -1.227 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.787 -4.964 -2.324 1.00 0.00 C ATOM 1308 C ALA A 85 -4.265 -6.324 -2.785 1.00 0.00 C ATOM 1309 O ALA A 85 -3.138 -6.445 -3.200 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.677 -3.935 -3.448 1.00 0.00 C ATOM 0 H ALA A 85 -3.107 -4.973 -1.009 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.820 -5.115 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.276 -4.260 -4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.041 -2.970 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.635 -3.840 -3.754 1.00 0.00 H new ATOM 1316 N THR A 86 -5.075 -7.349 -2.715 1.00 0.00 N ATOM 1317 CA THR A 86 -4.602 -8.703 -3.147 1.00 0.00 C ATOM 1318 C THR A 86 -5.699 -9.429 -3.931 1.00 0.00 C ATOM 1319 O THR A 86 -6.537 -8.818 -4.559 1.00 0.00 O ATOM 1320 CB THR A 86 -4.290 -9.480 -1.857 1.00 0.00 C ATOM 1321 OG1 THR A 86 -5.417 -10.271 -1.509 1.00 0.00 O ATOM 1322 CG2 THR A 86 -3.969 -8.520 -0.705 1.00 0.00 C ATOM 0 H THR A 86 -6.038 -7.310 -2.380 1.00 0.00 H new ATOM 0 HA THR A 86 -3.729 -8.624 -3.795 1.00 0.00 H new ATOM 0 HB THR A 86 -3.421 -10.114 -2.031 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.613 -10.159 -0.555 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.752 -9.093 0.196 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.102 -7.914 -0.967 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.825 -7.870 -0.524 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.693 -10.734 -3.898 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.727 -11.509 -4.641 1.00 0.00 C ATOM 1332 C GLY A 87 -8.123 -11.153 -4.128 1.00 0.00 C ATOM 1333 O GLY A 87 -8.970 -10.700 -4.873 1.00 0.00 O ATOM 0 H GLY A 87 -5.014 -11.298 -3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.657 -11.293 -5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.548 -12.577 -4.520 1.00 0.00 H new ATOM 1337 N TYR A 88 -8.376 -11.366 -2.865 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.726 -11.049 -2.315 1.00 0.00 C ATOM 1339 C TYR A 88 -9.977 -9.537 -2.334 1.00 0.00 C ATOM 1340 O TYR A 88 -11.105 -9.092 -2.409 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.732 -11.594 -0.878 1.00 0.00 C ATOM 1342 CG TYR A 88 -8.598 -10.999 -0.073 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -8.788 -9.803 0.630 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -7.360 -11.651 -0.016 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -7.741 -9.261 1.386 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -6.314 -11.108 0.738 1.00 0.00 C ATOM 1347 CZ TYR A 88 -6.505 -9.912 1.439 1.00 0.00 C ATOM 1348 OH TYR A 88 -5.475 -9.376 2.183 1.00 0.00 O ATOM 0 H TYR A 88 -7.709 -11.744 -2.192 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.519 -11.500 -2.911 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -10.684 -11.362 -0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.641 -12.680 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.742 -9.298 0.589 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.212 -12.575 -0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.889 -8.339 1.929 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.360 -11.612 0.779 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.686 -9.953 2.113 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.942 -8.742 -2.276 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.142 -7.266 -2.298 1.00 0.00 C ATOM 1360 C GLY A 89 -9.589 -6.790 -0.917 1.00 0.00 C ATOM 1361 O GLY A 89 -10.709 -6.360 -0.729 1.00 0.00 O ATOM 0 H GLY A 89 -7.972 -9.050 -2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.216 -6.767 -2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.890 -7.001 -3.045 1.00 0.00 H new ATOM 1365 N SER A 90 -8.718 -6.865 0.050 1.00 0.00 N ATOM 1366 CA SER A 90 -9.083 -6.415 1.422 1.00 0.00 C ATOM 1367 C SER A 90 -10.291 -7.193 1.946 1.00 0.00 C ATOM 1368 O SER A 90 -11.159 -7.600 1.200 1.00 0.00 O ATOM 1369 CB SER A 90 -9.427 -4.933 1.281 1.00 0.00 C ATOM 1370 OG SER A 90 -8.243 -4.158 1.416 1.00 0.00 O ATOM 0 H SER A 90 -7.767 -7.219 -0.051 1.00 0.00 H new ATOM 0 HA SER A 90 -8.271 -6.583 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.888 -4.746 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.153 -4.643 2.041 1.00 0.00 H new ATOM 0 HG SER A 90 -7.762 -4.433 2.224 1.00 0.00 H new ATOM 1376 N LYS A 91 -10.354 -7.378 3.233 1.00 0.00 N ATOM 1377 CA LYS A 91 -11.500 -8.102 3.840 1.00 0.00 C ATOM 1378 C LYS A 91 -12.207 -7.169 4.826 1.00 0.00 C ATOM 1379 O LYS A 91 -13.184 -6.525 4.500 1.00 0.00 O ATOM 1380 CB LYS A 91 -10.903 -9.326 4.562 1.00 0.00 C ATOM 1381 CG LYS A 91 -9.503 -9.017 5.122 1.00 0.00 C ATOM 1382 CD LYS A 91 -9.312 -9.751 6.453 1.00 0.00 C ATOM 1383 CE LYS A 91 -8.325 -8.975 7.339 1.00 0.00 C ATOM 1384 NZ LYS A 91 -9.160 -8.003 8.104 1.00 0.00 N ATOM 0 H LYS A 91 -9.651 -7.054 3.897 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.233 -8.421 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.563 -9.629 5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.843 -10.166 3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.738 -9.328 4.410 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.386 -7.943 5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.270 -9.853 6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.938 -10.759 6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.788 -9.646 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.576 -8.461 6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.828 -7.036 7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.153 -8.092 7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.081 -8.203 9.121 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.697 -7.072 6.019 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.297 -6.162 7.030 1.00 0.00 C ATOM 1400 C GLY A 92 -11.168 -5.314 7.617 1.00 0.00 C ATOM 1401 O GLY A 92 -11.294 -4.724 8.671 1.00 0.00 O ATOM 0 H GLY A 92 -10.880 -7.591 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.054 -5.526 6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.793 -6.734 7.814 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.055 -5.264 6.929 1.00 0.00 N ATOM 1406 CA LEU A 93 -8.889 -4.476 7.417 1.00 0.00 C ATOM 1407 C LEU A 93 -9.334 -3.164 8.066 1.00 0.00 C ATOM 1408 O LEU A 93 -10.341 -2.583 7.719 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.007 -4.239 6.176 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.628 -3.218 5.206 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -10.108 -3.526 4.961 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.482 -1.806 5.777 1.00 0.00 C ATOM 0 H LEU A 93 -9.906 -5.742 6.040 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.339 -5.005 8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.025 -3.886 6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.853 -5.185 5.656 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.101 -3.284 4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.524 -2.790 4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.206 -4.522 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.650 -3.485 5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.923 -1.087 5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.993 -1.747 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.425 -1.576 5.914 1.00 0.00 H new ATOM 1424 N ASP A 94 -8.579 -2.702 9.019 1.00 0.00 N ATOM 1425 CA ASP A 94 -8.931 -1.431 9.710 1.00 0.00 C ATOM 1426 C ASP A 94 -7.913 -0.358 9.343 1.00 0.00 C ATOM 1427 O ASP A 94 -6.779 -0.656 9.027 1.00 0.00 O ATOM 1428 CB ASP A 94 -8.881 -1.752 11.206 1.00 0.00 C ATOM 1429 CG ASP A 94 -7.637 -2.587 11.514 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -6.666 -2.448 10.794 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -7.679 -3.352 12.463 1.00 0.00 O ATOM 0 H ASP A 94 -7.727 -3.152 9.352 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.913 -1.054 9.425 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.863 -0.829 11.785 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.778 -2.296 11.501 1.00 0.00 H new ATOM 1436 N THR A 95 -8.298 0.883 9.376 1.00 0.00 N ATOM 1437 CA THR A 95 -7.333 1.955 9.020 1.00 0.00 C ATOM 1438 C THR A 95 -8.015 3.318 9.025 1.00 0.00 C ATOM 1439 O THR A 95 -9.199 3.436 9.270 1.00 0.00 O ATOM 1440 CB THR A 95 -6.879 1.613 7.601 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.193 2.722 7.050 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.097 1.285 6.737 1.00 0.00 C ATOM 0 H THR A 95 -9.233 1.201 9.632 1.00 0.00 H new ATOM 0 HA THR A 95 -6.506 2.008 9.728 1.00 0.00 H new ATOM 0 HB THR A 95 -6.215 0.749 7.629 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.488 2.863 6.126 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.771 1.042 5.726 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.626 0.432 7.163 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.764 2.147 6.706 1.00 0.00 H new ATOM 1450 N ARG A 96 -7.273 4.345 8.729 1.00 0.00 N ATOM 1451 CA ARG A 96 -7.869 5.703 8.683 1.00 0.00 C ATOM 1452 C ARG A 96 -8.471 5.931 7.295 1.00 0.00 C ATOM 1453 O ARG A 96 -8.885 7.021 6.955 1.00 0.00 O ATOM 1454 CB ARG A 96 -6.699 6.657 8.931 1.00 0.00 C ATOM 1455 CG ARG A 96 -6.477 6.812 10.439 1.00 0.00 C ATOM 1456 CD ARG A 96 -5.672 5.621 10.966 1.00 0.00 C ATOM 1457 NE ARG A 96 -6.364 5.218 12.223 1.00 0.00 N ATOM 1458 CZ ARG A 96 -5.919 4.207 12.921 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -6.075 2.989 12.479 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -5.320 4.415 14.063 1.00 0.00 N ATOM 0 H ARG A 96 -6.276 4.301 8.516 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.662 5.849 9.416 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.796 6.273 8.457 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.906 7.628 8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.947 7.742 10.645 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.436 6.872 10.954 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.656 4.804 10.244 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.635 5.898 11.157 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.186 5.732 12.539 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.544 2.826 11.588 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.727 2.200 13.024 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.200 5.367 14.410 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.973 3.626 14.608 1.00 0.00 H new ATOM 1474 N TYR A 97 -8.517 4.901 6.487 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.083 5.052 5.118 1.00 0.00 C ATOM 1476 C TYR A 97 -10.575 4.703 5.114 1.00 0.00 C ATOM 1477 O TYR A 97 -11.228 4.821 4.104 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.294 4.070 4.252 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.888 4.590 4.049 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.042 4.784 5.149 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.429 4.875 2.758 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.741 5.260 4.956 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -5.129 5.353 2.566 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.284 5.544 3.664 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.001 6.012 3.472 1.00 0.00 O ATOM 0 H TYR A 97 -8.187 3.964 6.719 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.001 6.075 4.749 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.265 3.090 4.729 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.788 3.941 3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.395 4.566 6.146 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.080 4.726 1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.089 5.408 5.804 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.777 5.575 1.569 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.416 5.659 4.174 1.00 0.00 H new ATOM 1495 N SER A 98 -11.101 4.279 6.243 1.00 0.00 N ATOM 1496 CA SER A 98 -12.553 3.919 6.356 1.00 0.00 C ATOM 1497 C SER A 98 -12.864 2.606 5.633 1.00 0.00 C ATOM 1498 O SER A 98 -14.008 2.281 5.382 1.00 0.00 O ATOM 1499 CB SER A 98 -13.340 5.084 5.752 1.00 0.00 C ATOM 1500 OG SER A 98 -13.704 5.983 6.791 1.00 0.00 O ATOM 0 H SER A 98 -10.572 4.166 7.108 1.00 0.00 H new ATOM 0 HA SER A 98 -12.830 3.760 7.398 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.737 5.598 5.003 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.231 4.714 5.245 1.00 0.00 H new ATOM 0 HG SER A 98 -14.207 6.734 6.412 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.858 1.833 5.341 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.074 0.506 4.682 1.00 0.00 C ATOM 1508 C ASN A 99 -12.804 0.606 3.327 1.00 0.00 C ATOM 1509 O ASN A 99 -13.944 0.207 3.196 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.911 -0.270 5.695 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.051 -0.631 6.911 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -12.471 -1.395 7.757 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -10.855 -0.116 7.039 1.00 0.00 N ATOM 0 H ASN A 99 -10.882 2.062 5.531 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.125 0.028 4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.767 0.328 6.008 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.306 -1.176 5.236 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.280 -0.357 7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.498 0.526 6.331 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.120 1.075 2.312 1.00 0.00 N ATOM 1521 CA ILE A 100 -12.722 1.150 0.932 1.00 0.00 C ATOM 1522 C ILE A 100 -11.684 1.377 -0.204 1.00 0.00 C ATOM 1523 O ILE A 100 -11.959 0.991 -1.322 1.00 0.00 O ATOM 1524 CB ILE A 100 -13.739 2.297 0.904 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -13.148 3.581 1.489 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -15.009 1.902 1.657 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -13.026 3.460 3.002 1.00 0.00 C ATOM 0 H ILE A 100 -11.160 1.414 2.376 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.185 0.182 0.741 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.994 2.492 -0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -12.168 3.771 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.781 4.431 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.721 2.727 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.452 1.024 1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -14.761 1.673 2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.604 4.380 3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.012 3.292 3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.374 2.622 3.249 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.545 2.005 0.054 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.587 2.241 -1.044 1.00 0.00 C ATOM 1541 C PRO A 101 -8.644 1.049 -1.236 1.00 0.00 C ATOM 1542 O PRO A 101 -7.443 1.210 -1.324 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.823 3.481 -0.584 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.948 3.515 0.910 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.024 2.539 1.318 1.00 0.00 C ATOM 0 HA PRO A 101 -10.077 2.373 -2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.777 3.429 -0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.240 4.384 -1.031 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.999 3.251 1.376 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.200 4.521 1.247 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.620 1.745 1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.808 3.032 1.892 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.172 -0.145 -1.318 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.281 -1.331 -1.519 1.00 0.00 C ATOM 1555 C LEU A 102 -8.898 -2.307 -2.523 1.00 0.00 C ATOM 1556 O LEU A 102 -10.087 -2.285 -2.772 1.00 0.00 O ATOM 1557 CB LEU A 102 -8.152 -2.005 -0.146 1.00 0.00 C ATOM 1558 CG LEU A 102 -8.154 -0.957 0.968 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -8.122 -1.658 2.326 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -6.922 -0.062 0.834 1.00 0.00 C ATOM 0 H LEU A 102 -10.169 -0.351 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.311 -1.029 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.976 -2.703 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.231 -2.586 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.055 -0.349 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.123 -0.912 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.999 -2.297 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.220 -2.266 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.926 0.684 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.021 -0.670 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.940 0.439 -0.134 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.096 -3.173 -3.092 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.645 -4.161 -4.078 1.00 0.00 C ATOM 1574 C LEU A 103 -7.548 -5.115 -4.587 1.00 0.00 C ATOM 1575 O LEU A 103 -6.676 -5.501 -3.849 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.242 -3.324 -5.216 1.00 0.00 C ATOM 1577 CG LEU A 103 -8.145 -2.614 -6.009 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -8.797 -1.827 -7.142 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -7.381 -1.645 -5.103 1.00 0.00 C ATOM 0 H LEU A 103 -7.093 -3.240 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.400 -4.802 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.818 -3.967 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.934 -2.588 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.448 -3.352 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.027 -1.314 -7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.343 -2.510 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.488 -1.094 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.602 -1.145 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.070 -0.901 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.926 -2.198 -4.281 1.00 0.00 H new ATOM 1591 N THR A 104 -7.605 -5.541 -5.825 1.00 0.00 N ATOM 1592 CA THR A 104 -6.575 -6.504 -6.325 1.00 0.00 C ATOM 1593 C THR A 104 -5.803 -5.971 -7.539 1.00 0.00 C ATOM 1594 O THR A 104 -5.431 -6.727 -8.414 1.00 0.00 O ATOM 1595 CB THR A 104 -7.371 -7.749 -6.719 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.480 -8.842 -6.901 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.131 -7.483 -8.022 1.00 0.00 C ATOM 0 H THR A 104 -8.313 -5.267 -6.506 1.00 0.00 H new ATOM 0 HA THR A 104 -5.821 -6.693 -5.561 1.00 0.00 H new ATOM 0 HB THR A 104 -8.084 -7.989 -5.930 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.790 -8.821 -6.205 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.697 -8.372 -8.301 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.815 -6.646 -7.880 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.422 -7.241 -8.814 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.537 -4.699 -7.606 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.768 -4.173 -8.776 1.00 0.00 C ATOM 1607 C LYS A 105 -5.488 -4.477 -10.096 1.00 0.00 C ATOM 1608 O LYS A 105 -4.855 -4.840 -11.067 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.434 -4.918 -8.722 1.00 0.00 C ATOM 1610 CG LYS A 105 -2.318 -3.935 -8.384 1.00 0.00 C ATOM 1611 CD LYS A 105 -1.344 -4.604 -7.417 1.00 0.00 C ATOM 1612 CE LYS A 105 -0.112 -5.087 -8.188 1.00 0.00 C ATOM 1613 NZ LYS A 105 -0.583 -6.256 -8.986 1.00 0.00 N ATOM 0 H LYS A 105 -5.813 -4.004 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.652 -3.090 -8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.476 -5.709 -7.973 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.234 -5.397 -9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.798 -3.629 -9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.734 -3.033 -7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -1.047 -3.901 -6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.828 -5.445 -6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.281 -4.302 -8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.691 -5.372 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.177 -6.963 -9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.413 -6.680 -8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.842 -5.941 -9.943 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.785 -4.307 -10.103 1.00 0.00 N ATOM 1628 CA PRO A 106 -7.568 -4.561 -11.336 1.00 0.00 C ATOM 1629 C PRO A 106 -7.309 -3.439 -12.345 1.00 0.00 C ATOM 1630 O PRO A 106 -7.681 -3.524 -13.498 1.00 0.00 O ATOM 1631 CB PRO A 106 -9.016 -4.546 -10.856 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.999 -3.712 -9.615 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.635 -3.870 -8.990 1.00 0.00 C ATOM 0 HA PRO A 106 -7.310 -5.496 -11.834 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.678 -4.120 -11.610 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.375 -5.554 -10.650 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.195 -2.666 -9.852 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.778 -4.034 -8.924 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.281 -2.932 -8.561 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.647 -4.604 -8.185 1.00 0.00 H new ATOM 1641 N PHE A 107 -6.664 -2.390 -11.907 1.00 0.00 N ATOM 1642 CA PHE A 107 -6.355 -1.249 -12.814 1.00 0.00 C ATOM 1643 C PHE A 107 -7.640 -0.642 -13.364 1.00 0.00 C ATOM 1644 O PHE A 107 -8.729 -1.001 -12.961 1.00 0.00 O ATOM 1645 CB PHE A 107 -5.499 -1.844 -13.931 1.00 0.00 C ATOM 1646 CG PHE A 107 -4.065 -1.886 -13.467 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -3.774 -2.190 -12.131 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -3.030 -1.611 -14.363 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -2.451 -2.219 -11.691 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -1.701 -1.642 -13.924 1.00 0.00 C ATOM 1651 CZ PHE A 107 -1.410 -1.944 -12.588 1.00 0.00 C ATOM 0 H PHE A 107 -6.335 -2.275 -10.948 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.833 -0.443 -12.299 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -5.846 -2.847 -14.180 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.586 -1.243 -14.836 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.576 -2.402 -11.440 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.254 -1.375 -15.393 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.229 -2.453 -10.660 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.899 -1.433 -14.617 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.385 -1.965 -12.249 1.00 0.00 H new ATOM 1661 N LEU A 108 -7.531 0.288 -14.268 1.00 0.00 N ATOM 1662 CA LEU A 108 -8.762 0.918 -14.817 1.00 0.00 C ATOM 1663 C LEU A 108 -9.621 1.418 -13.655 1.00 0.00 C ATOM 1664 O LEU A 108 -10.471 0.709 -13.156 1.00 0.00 O ATOM 1665 CB LEU A 108 -9.486 -0.201 -15.576 1.00 0.00 C ATOM 1666 CG LEU A 108 -8.468 -1.093 -16.296 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -9.204 -2.204 -17.044 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -7.664 -0.252 -17.290 1.00 0.00 C ATOM 0 H LEU A 108 -6.651 0.637 -14.648 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.550 1.766 -15.468 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.078 -0.798 -14.882 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.180 0.229 -16.298 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.791 -1.535 -15.565 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.481 -2.839 -17.556 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.775 -2.804 -16.335 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.882 -1.763 -17.775 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.940 -0.887 -17.802 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.340 0.191 -18.022 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.139 0.539 -16.756 1.00 0.00 H new ATOM 1680 N ASP A 109 -9.392 2.625 -13.205 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.185 3.163 -12.057 1.00 0.00 C ATOM 1682 C ASP A 109 -9.751 2.474 -10.755 1.00 0.00 C ATOM 1683 O ASP A 109 -10.389 2.594 -9.728 1.00 0.00 O ATOM 1684 CB ASP A 109 -11.653 2.851 -12.372 1.00 0.00 C ATOM 1685 CG ASP A 109 -11.921 3.083 -13.862 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -11.336 4.001 -14.412 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -12.706 2.338 -14.425 1.00 0.00 O ATOM 0 H ASP A 109 -8.690 3.262 -13.582 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.032 4.234 -11.924 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.880 1.818 -12.108 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.306 3.484 -11.772 1.00 0.00 H new ATOM 1692 N SER A 110 -8.678 1.727 -10.806 1.00 0.00 N ATOM 1693 CA SER A 110 -8.194 0.991 -9.598 1.00 0.00 C ATOM 1694 C SER A 110 -7.389 1.893 -8.651 1.00 0.00 C ATOM 1695 O SER A 110 -7.921 2.474 -7.725 1.00 0.00 O ATOM 1696 CB SER A 110 -7.285 -0.088 -10.172 1.00 0.00 C ATOM 1697 OG SER A 110 -6.602 -0.752 -9.119 1.00 0.00 O ATOM 0 H SER A 110 -8.110 1.594 -11.643 1.00 0.00 H new ATOM 0 HA SER A 110 -9.024 0.605 -9.006 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.873 -0.805 -10.745 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.566 0.357 -10.860 1.00 0.00 H new ATOM 0 HG SER A 110 -5.732 -1.068 -9.441 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.102 1.982 -8.864 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.235 2.808 -7.973 1.00 0.00 C ATOM 1705 C GLU A 111 -5.935 4.095 -7.555 1.00 0.00 C ATOM 1706 O GLU A 111 -5.923 4.471 -6.399 1.00 0.00 O ATOM 1707 CB GLU A 111 -4.003 3.128 -8.814 1.00 0.00 C ATOM 1708 CG GLU A 111 -2.796 2.397 -8.232 1.00 0.00 C ATOM 1709 CD GLU A 111 -2.284 3.159 -7.010 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -2.530 4.351 -6.937 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -1.657 2.538 -6.167 1.00 0.00 O ATOM 0 H GLU A 111 -5.610 1.513 -9.625 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.990 2.280 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.164 2.823 -9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.823 4.203 -8.823 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.073 1.381 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.009 2.318 -8.981 1.00 0.00 H new ATOM 1718 N LEU A 112 -6.532 4.783 -8.480 1.00 0.00 N ATOM 1719 CA LEU A 112 -7.214 6.055 -8.110 1.00 0.00 C ATOM 1720 C LEU A 112 -8.182 5.820 -6.950 1.00 0.00 C ATOM 1721 O LEU A 112 -8.078 6.446 -5.917 1.00 0.00 O ATOM 1722 CB LEU A 112 -7.956 6.523 -9.361 1.00 0.00 C ATOM 1723 CG LEU A 112 -8.599 5.346 -10.087 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -10.114 5.558 -10.129 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -8.046 5.282 -11.514 1.00 0.00 C ATOM 0 H LEU A 112 -6.580 4.527 -9.466 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.502 6.810 -7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.722 7.247 -9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.263 7.033 -10.030 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.376 4.413 -9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.584 4.722 -10.646 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.501 5.620 -9.112 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.337 6.484 -10.659 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.499 4.443 -12.043 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.280 6.209 -12.037 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.965 5.147 -11.480 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.114 4.919 -7.099 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.066 4.654 -5.984 1.00 0.00 C ATOM 1739 C GLU A 113 -9.299 4.569 -4.670 1.00 0.00 C ATOM 1740 O GLU A 113 -9.643 5.199 -3.690 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.691 3.299 -6.303 1.00 0.00 C ATOM 1742 CG GLU A 113 -12.212 3.446 -6.370 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.823 2.183 -6.977 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -12.859 2.092 -8.192 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -13.247 1.329 -6.216 1.00 0.00 O ATOM 0 H GLU A 113 -9.257 4.358 -7.939 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.816 5.438 -5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.308 2.924 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.418 2.571 -5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.616 3.614 -5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.477 4.316 -6.971 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.261 3.785 -4.649 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.459 3.642 -3.409 1.00 0.00 C ATOM 1754 C ALA A 114 -7.130 5.021 -2.832 1.00 0.00 C ATOM 1755 O ALA A 114 -7.036 5.198 -1.635 1.00 0.00 O ATOM 1756 CB ALA A 114 -6.184 2.922 -3.853 1.00 0.00 C ATOM 0 H ALA A 114 -7.933 3.235 -5.443 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.988 3.094 -2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.531 2.775 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.443 1.954 -4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.668 3.524 -4.602 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.940 5.996 -3.676 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.602 7.363 -3.171 1.00 0.00 C ATOM 1764 C VAL A 115 -7.793 8.320 -3.330 1.00 0.00 C ATOM 1765 O VAL A 115 -7.804 9.401 -2.773 1.00 0.00 O ATOM 1766 CB VAL A 115 -5.416 7.849 -4.023 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -4.486 8.700 -3.156 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -4.623 6.658 -4.579 1.00 0.00 C ATOM 0 H VAL A 115 -7.003 5.910 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.356 7.336 -2.109 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.804 8.437 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.645 9.046 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.034 9.559 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.116 8.102 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.789 7.024 -5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.241 6.058 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.275 6.045 -5.201 1.00 0.00 H new ATOM 1778 N LEU A 116 -8.777 7.953 -4.107 1.00 0.00 N ATOM 1779 CA LEU A 116 -9.940 8.869 -4.318 1.00 0.00 C ATOM 1780 C LEU A 116 -11.098 8.565 -3.360 1.00 0.00 C ATOM 1781 O LEU A 116 -11.609 9.449 -2.702 1.00 0.00 O ATOM 1782 CB LEU A 116 -10.370 8.627 -5.765 1.00 0.00 C ATOM 1783 CG LEU A 116 -10.507 9.970 -6.485 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -11.336 10.925 -5.625 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -9.118 10.570 -6.714 1.00 0.00 C ATOM 0 H LEU A 116 -8.828 7.063 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 116 -9.663 9.905 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.637 8.002 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.318 8.090 -5.789 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.001 9.819 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -11.435 11.883 -6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -12.325 10.499 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.840 11.075 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.215 11.527 -7.227 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.624 10.721 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.524 9.890 -7.324 1.00 0.00 H new ATOM 1797 N VAL A 117 -11.534 7.335 -3.294 1.00 0.00 N ATOM 1798 CA VAL A 117 -12.679 6.989 -2.394 1.00 0.00 C ATOM 1799 C VAL A 117 -12.586 7.754 -1.067 1.00 0.00 C ATOM 1800 O VAL A 117 -13.583 8.021 -0.425 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.557 5.485 -2.151 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.390 5.215 -1.206 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -13.848 4.965 -1.520 1.00 0.00 C ATOM 0 H VAL A 117 -11.148 6.553 -3.823 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.636 7.258 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.383 4.978 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.303 4.142 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.467 5.587 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.565 5.723 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.762 3.892 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.020 5.473 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.685 5.158 -2.192 1.00 0.00 H new ATOM 1813 N GLN A 118 -11.400 8.104 -0.650 1.00 0.00 N ATOM 1814 CA GLN A 118 -11.247 8.845 0.635 1.00 0.00 C ATOM 1815 C GLN A 118 -11.951 10.206 0.560 1.00 0.00 C ATOM 1816 O GLN A 118 -12.787 10.527 1.380 1.00 0.00 O ATOM 1817 CB GLN A 118 -9.738 9.025 0.791 1.00 0.00 C ATOM 1818 CG GLN A 118 -9.416 9.551 2.191 1.00 0.00 C ATOM 1819 CD GLN A 118 -7.911 9.804 2.304 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -7.322 9.588 3.346 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -7.258 10.255 1.268 1.00 0.00 N ATOM 0 H GLN A 118 -10.529 7.909 -1.144 1.00 0.00 H new ATOM 0 HA GLN A 118 -11.691 8.315 1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -9.231 8.074 0.625 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -9.367 9.720 0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.966 10.473 2.381 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -9.732 8.830 2.944 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.751 10.436 0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.255 10.426 1.333 1.00 0.00 H new