USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 760 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 Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.132 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -80:sc= 0.327 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 70 CYS SG : rot 10:sc= 0.00419 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 21:sc= 0.0943 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 128 N SER A 9 4.369 -4.429 -13.889 1.00 1.00 N ATOM 129 CA SER A 9 3.055 -4.704 -14.532 1.00 1.00 C ATOM 130 C SER A 9 1.940 -3.707 -14.166 1.00 1.00 C ATOM 131 O SER A 9 1.004 -3.502 -14.962 1.00 1.00 O ATOM 132 CB SER A 9 2.604 -6.097 -14.194 1.00 1.00 C ATOM 133 OG SER A 9 2.095 -6.745 -15.338 1.00 1.00 O ATOM 0 HA SER A 9 3.224 -4.591 -15.603 1.00 1.00 H new ATOM 0 HB2 SER A 9 3.440 -6.667 -13.788 1.00 1.00 H new ATOM 0 HB3 SER A 9 1.838 -6.059 -13.420 1.00 1.00 H new ATOM 0 HG SER A 9 1.808 -7.651 -15.100 1.00 1.00 H new ATOM 139 N ALA A 10 2.119 -3.022 -12.985 1.00 1.00 N ATOM 140 CA ALA A 10 1.161 -2.031 -12.460 1.00 1.00 C ATOM 141 C ALA A 10 1.086 -0.720 -13.274 1.00 1.00 C ATOM 142 O ALA A 10 -0.004 -0.170 -13.437 1.00 1.00 O ATOM 143 CB ALA A 10 1.451 -1.749 -11.015 1.00 1.00 C ATOM 0 H ALA A 10 2.934 -3.154 -12.386 1.00 1.00 H new ATOM 0 HA ALA A 10 0.175 -2.484 -12.560 1.00 1.00 H new ATOM 0 HB1 ALA A 10 0.738 -1.016 -10.637 1.00 1.00 H new ATOM 0 HB2 ALA A 10 1.363 -2.671 -10.440 1.00 1.00 H new ATOM 0 HB3 ALA A 10 2.463 -1.355 -10.917 1.00 1.00 H new ATOM 149 N THR A 11 2.259 -0.309 -13.828 1.00 1.00 N ATOM 150 CA THR A 11 2.410 0.919 -14.662 1.00 1.00 C ATOM 151 C THR A 11 2.044 0.723 -16.140 1.00 1.00 C ATOM 152 O THR A 11 1.340 1.565 -16.718 1.00 1.00 O ATOM 153 CB THR A 11 3.829 1.500 -14.580 1.00 1.00 C ATOM 154 OG1 THR A 11 4.823 0.448 -14.566 1.00 1.00 O ATOM 155 CG2 THR A 11 3.986 2.392 -13.364 1.00 1.00 C ATOM 0 H THR A 11 3.132 -0.822 -13.709 1.00 1.00 H new ATOM 0 HA THR A 11 1.694 1.620 -14.233 1.00 1.00 H new ATOM 0 HB THR A 11 3.986 2.108 -15.471 1.00 1.00 H new ATOM 0 HG1 THR A 11 5.718 0.844 -14.515 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.001 2.789 -13.332 1.00 1.00 H new ATOM 0 HG22 THR A 11 3.276 3.217 -13.423 1.00 1.00 H new ATOM 0 HG23 THR A 11 3.795 1.813 -12.461 1.00 1.00 H new ATOM 163 N ARG A 12 2.425 -0.535 -16.633 1.00 1.00 N ATOM 164 CA ARG A 12 2.116 -0.922 -18.033 1.00 1.00 C ATOM 165 C ARG A 12 0.637 -1.116 -18.294 1.00 1.00 C ATOM 166 O ARG A 12 0.097 -0.511 -19.230 1.00 1.00 O ATOM 167 CB ARG A 12 2.864 -2.173 -18.416 1.00 1.00 C ATOM 168 CG ARG A 12 4.056 -1.937 -19.288 1.00 1.00 C ATOM 169 CD ARG A 12 5.305 -2.389 -18.618 1.00 1.00 C ATOM 170 NE ARG A 12 6.491 -1.873 -19.297 1.00 1.00 N ATOM 171 CZ ARG A 12 7.607 -1.467 -18.666 1.00 1.00 C ATOM 172 NH1 ARG A 12 7.803 -1.768 -17.391 1.00 1.00 N ATOM 173 NH2 ARG A 12 8.512 -0.814 -19.333 1.00 1.00 N ATOM 0 H ARG A 12 2.919 -1.243 -16.090 1.00 1.00 H new ATOM 0 HA ARG A 12 2.442 -0.086 -18.652 1.00 1.00 H new ATOM 0 HB2 ARG A 12 3.188 -2.680 -17.507 1.00 1.00 H new ATOM 0 HB3 ARG A 12 2.180 -2.848 -18.931 1.00 1.00 H new ATOM 0 HG2 ARG A 12 3.932 -2.469 -20.231 1.00 1.00 H new ATOM 0 HG3 ARG A 12 4.131 -0.876 -19.528 1.00 1.00 H new ATOM 0 HD2 ARG A 12 5.304 -2.056 -17.580 1.00 1.00 H new ATOM 0 HD3 ARG A 12 5.338 -3.478 -18.603 1.00 1.00 H new ATOM 0 HE ARG A 12 6.471 -1.817 -20.315 1.00 1.00 H new ATOM 0 HH11 ARG A 12 7.105 -2.311 -16.882 1.00 1.00 H new ATOM 0 HH12 ARG A 12 8.652 -1.457 -16.918 1.00 1.00 H new ATOM 0 HH21 ARG A 12 8.371 -0.615 -20.323 1.00 1.00 H new ATOM 0 HH22 ARG A 12 9.363 -0.501 -18.866 1.00 1.00 H new ATOM 187 N ARG A 13 -0.033 -1.774 -17.273 1.00 1.00 N ATOM 188 CA ARG A 13 -1.477 -2.018 -17.283 1.00 1.00 C ATOM 189 C ARG A 13 -2.310 -0.738 -17.108 1.00 1.00 C ATOM 190 O ARG A 13 -3.300 -0.566 -17.828 1.00 1.00 O ATOM 191 CB ARG A 13 -1.854 -3.050 -16.272 1.00 1.00 C ATOM 192 CG ARG A 13 -1.915 -4.426 -16.864 1.00 1.00 C ATOM 193 CD ARG A 13 -2.633 -5.337 -15.963 1.00 1.00 C ATOM 194 NE ARG A 13 -1.723 -6.239 -15.269 1.00 1.00 N ATOM 195 CZ ARG A 13 -2.096 -7.060 -14.275 1.00 1.00 C ATOM 196 NH1 ARG A 13 -3.347 -7.073 -13.845 1.00 1.00 N ATOM 197 NH2 ARG A 13 -1.215 -7.845 -13.739 1.00 1.00 N ATOM 0 H ARG A 13 0.436 -2.134 -16.442 1.00 1.00 H new ATOM 0 HA ARG A 13 -1.715 -2.401 -18.275 1.00 1.00 H new ATOM 0 HB2 ARG A 13 -1.131 -3.039 -15.457 1.00 1.00 H new ATOM 0 HB3 ARG A 13 -2.823 -2.798 -15.842 1.00 1.00 H new ATOM 0 HG2 ARG A 13 -2.416 -4.391 -17.832 1.00 1.00 H new ATOM 0 HG3 ARG A 13 -0.906 -4.798 -17.040 1.00 1.00 H new ATOM 0 HD2 ARG A 13 -3.197 -4.757 -15.233 1.00 1.00 H new ATOM 0 HD3 ARG A 13 -3.356 -5.919 -16.535 1.00 1.00 H new ATOM 0 HE ARG A 13 -0.744 -6.247 -15.556 1.00 1.00 H new ATOM 0 HH11 ARG A 13 -4.039 -6.455 -14.270 1.00 1.00 H new ATOM 0 HH12 ARG A 13 -3.620 -7.701 -13.089 1.00 1.00 H new ATOM 0 HH21 ARG A 13 -0.251 -7.834 -14.073 1.00 1.00 H new ATOM 0 HH22 ARG A 13 -1.485 -8.474 -12.983 1.00 1.00 H new ATOM 211 N GLU A 14 -1.774 0.183 -16.227 1.00 1.00 N ATOM 212 CA GLU A 14 -2.368 1.503 -15.979 1.00 1.00 C ATOM 213 C GLU A 14 -2.276 2.414 -17.205 1.00 1.00 C ATOM 214 O GLU A 14 -3.219 3.144 -17.486 1.00 1.00 O ATOM 215 CB GLU A 14 -1.760 2.163 -14.784 1.00 1.00 C ATOM 216 CG GLU A 14 -2.628 2.098 -13.553 1.00 1.00 C ATOM 217 CD GLU A 14 -1.949 2.707 -12.346 1.00 1.00 C ATOM 218 OE1 GLU A 14 -1.215 1.978 -11.642 1.00 1.00 O ATOM 219 OE2 GLU A 14 -2.135 3.920 -12.111 1.00 1.00 O ATOM 0 H GLU A 14 -0.926 0.009 -15.687 1.00 1.00 H new ATOM 0 HA GLU A 14 -3.425 1.335 -15.772 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -0.801 1.692 -14.568 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -1.556 3.207 -15.020 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -3.566 2.620 -13.743 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -2.879 1.059 -13.341 1.00 1.00 H new ATOM 226 N LYS A 15 -1.125 2.288 -17.972 1.00 1.00 N ATOM 227 CA LYS A 15 -0.874 3.046 -19.218 1.00 1.00 C ATOM 228 C LYS A 15 -1.861 2.701 -20.341 1.00 1.00 C ATOM 229 O LYS A 15 -2.256 3.585 -21.111 1.00 1.00 O ATOM 230 CB LYS A 15 0.531 2.843 -19.693 1.00 1.00 C ATOM 231 CG LYS A 15 1.454 3.954 -19.284 1.00 1.00 C ATOM 232 CD LYS A 15 2.878 3.634 -19.672 1.00 1.00 C ATOM 233 CE LYS A 15 3.831 4.739 -19.259 1.00 1.00 C ATOM 234 NZ LYS A 15 5.239 4.415 -19.612 1.00 1.00 N ATOM 0 H LYS A 15 -0.364 1.655 -17.725 1.00 1.00 H new ATOM 0 HA LYS A 15 -1.025 4.096 -18.969 1.00 1.00 H new ATOM 0 HB2 LYS A 15 0.909 1.900 -19.299 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.533 2.758 -20.780 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.143 4.885 -19.758 1.00 1.00 H new ATOM 0 HG3 LYS A 15 1.391 4.108 -18.207 1.00 1.00 H new ATOM 0 HD2 LYS A 15 3.181 2.697 -19.204 1.00 1.00 H new ATOM 0 HD3 LYS A 15 2.937 3.486 -20.750 1.00 1.00 H new ATOM 0 HE2 LYS A 15 3.540 5.670 -19.745 1.00 1.00 H new ATOM 0 HE3 LYS A 15 3.754 4.902 -18.184 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 5.860 5.194 -19.314 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 5.525 3.540 -19.129 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 5.318 4.284 -20.641 1.00 1.00 H new ATOM 248 N ILE A 16 -2.312 1.399 -20.352 1.00 1.00 N ATOM 249 CA ILE A 16 -3.318 0.899 -21.307 1.00 1.00 C ATOM 250 C ILE A 16 -4.703 1.541 -21.041 1.00 1.00 C ATOM 251 O ILE A 16 -5.336 1.993 -21.981 1.00 1.00 O ATOM 252 CB ILE A 16 -3.404 -0.661 -21.320 1.00 1.00 C ATOM 253 CG1 ILE A 16 -2.070 -1.257 -21.800 1.00 1.00 C ATOM 254 CG2 ILE A 16 -4.569 -1.133 -22.225 1.00 1.00 C ATOM 255 CD1 ILE A 16 -1.633 -2.467 -21.006 1.00 1.00 C ATOM 0 H ILE A 16 -1.980 0.689 -19.699 1.00 1.00 H new ATOM 0 HA ILE A 16 -2.991 1.200 -22.302 1.00 1.00 H new ATOM 0 HB ILE A 16 -3.598 -1.011 -20.306 1.00 1.00 H new ATOM 0 HG12 ILE A 16 -2.161 -1.534 -22.850 1.00 1.00 H new ATOM 0 HG13 ILE A 16 -1.296 -0.492 -21.738 1.00 1.00 H new ATOM 0 HG21 ILE A 16 -4.614 -2.222 -22.222 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -5.509 -0.730 -21.848 1.00 1.00 H new ATOM 0 HG23 ILE A 16 -4.405 -0.779 -23.243 1.00 1.00 H new ATOM 0 HD11 ILE A 16 -0.685 -2.836 -21.398 1.00 1.00 H new ATOM 0 HD12 ILE A 16 -1.510 -2.190 -19.959 1.00 1.00 H new ATOM 0 HD13 ILE A 16 -2.389 -3.248 -21.088 1.00 1.00 H new ATOM 267 N ILE A 17 -5.103 1.568 -19.750 1.00 1.00 N ATOM 268 CA ILE A 17 -6.374 2.168 -19.337 1.00 1.00 C ATOM 269 C ILE A 17 -6.392 3.763 -19.433 1.00 1.00 C ATOM 270 O ILE A 17 -7.408 4.383 -19.055 1.00 1.00 O ATOM 271 CB ILE A 17 -6.789 1.603 -17.906 1.00 1.00 C ATOM 272 CG1 ILE A 17 -8.327 1.572 -17.808 1.00 1.00 C ATOM 273 CG2 ILE A 17 -6.174 2.435 -16.764 1.00 1.00 C ATOM 274 CD1 ILE A 17 -8.889 0.207 -17.643 1.00 1.00 C ATOM 0 H ILE A 17 -4.557 1.178 -18.981 1.00 1.00 H new ATOM 0 HA ILE A 17 -7.140 1.867 -20.052 1.00 1.00 H new ATOM 0 HB ILE A 17 -6.398 0.591 -17.798 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -8.641 2.188 -16.966 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -8.748 2.022 -18.707 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -6.480 2.018 -15.805 1.00 1.00 H new ATOM 0 HG22 ILE A 17 -5.087 2.410 -16.840 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -6.519 3.466 -16.838 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -9.976 0.266 -17.581 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -8.607 -0.408 -18.497 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -8.498 -0.240 -16.729 1.00 1.00 H new ATOM 286 N GLU A 18 -5.175 4.309 -19.636 1.00 1.00 N ATOM 287 CA GLU A 18 -4.961 5.749 -19.597 1.00 1.00 C ATOM 288 C GLU A 18 -4.917 6.414 -20.979 1.00 1.00 C ATOM 289 O GLU A 18 -5.423 7.543 -21.104 1.00 1.00 O ATOM 290 CB GLU A 18 -3.705 6.042 -18.821 1.00 1.00 C ATOM 291 CG GLU A 18 -3.939 6.250 -17.337 1.00 1.00 C ATOM 292 CD GLU A 18 -2.665 6.581 -16.605 1.00 1.00 C ATOM 293 OE1 GLU A 18 -2.335 7.778 -16.505 1.00 1.00 O ATOM 294 OE2 GLU A 18 -1.989 5.639 -16.128 1.00 1.00 O ATOM 0 H GLU A 18 -4.334 3.765 -19.828 1.00 1.00 H new ATOM 0 HA GLU A 18 -5.827 6.185 -19.099 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -3.004 5.218 -18.957 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.233 6.934 -19.234 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -4.659 7.055 -17.193 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -4.379 5.349 -16.910 1.00 1.00 H new ATOM 301 N LEU A 19 -4.261 5.729 -21.956 1.00 1.00 N ATOM 302 CA LEU A 19 -4.122 6.235 -23.315 1.00 1.00 C ATOM 303 C LEU A 19 -5.272 5.842 -24.243 1.00 1.00 C ATOM 304 O LEU A 19 -5.551 6.564 -25.233 1.00 1.00 O ATOM 305 CB LEU A 19 -2.806 5.784 -23.904 1.00 1.00 C ATOM 306 CG LEU A 19 -1.978 6.892 -24.572 1.00 1.00 C ATOM 307 CD1 LEU A 19 -0.642 7.056 -23.874 1.00 1.00 C ATOM 308 CD2 LEU A 19 -1.766 6.584 -26.045 1.00 1.00 C ATOM 0 H LEU A 19 -3.824 4.820 -21.807 1.00 1.00 H new ATOM 0 HA LEU A 19 -4.150 7.322 -23.238 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -2.208 5.331 -23.113 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -3.003 5.005 -24.640 1.00 1.00 H new ATOM 0 HG LEU A 19 -2.530 7.828 -24.487 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -0.071 7.846 -24.362 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -0.807 7.321 -22.830 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -0.086 6.120 -23.928 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -1.178 7.380 -26.502 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -1.236 5.637 -26.146 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -2.732 6.514 -26.545 1.00 1.00 H new ATOM 320 N LEU A 20 -6.003 4.750 -23.859 1.00 1.00 N ATOM 321 CA LEU A 20 -7.077 4.153 -24.662 1.00 1.00 C ATOM 322 C LEU A 20 -8.443 4.814 -24.481 1.00 1.00 C ATOM 323 O LEU A 20 -9.360 4.588 -25.326 1.00 1.00 O ATOM 324 CB LEU A 20 -7.191 2.692 -24.330 1.00 1.00 C ATOM 325 CG LEU A 20 -7.112 1.730 -25.510 1.00 1.00 C ATOM 326 CD1 LEU A 20 -5.875 0.865 -25.396 1.00 1.00 C ATOM 327 CD2 LEU A 20 -8.347 0.853 -25.573 1.00 1.00 C ATOM 0 H LEU A 20 -5.848 4.268 -22.973 1.00 1.00 H new ATOM 0 HA LEU A 20 -6.797 4.309 -25.704 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -6.399 2.437 -23.625 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -8.139 2.529 -23.817 1.00 1.00 H new ATOM 0 HG LEU A 20 -7.056 2.318 -26.426 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.829 0.182 -26.244 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -4.988 1.498 -25.391 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -5.916 0.291 -24.470 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -8.269 0.175 -26.423 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -8.430 0.274 -24.653 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -9.232 1.479 -25.689 1.00 1.00 H new ATOM 339 N LEU A 21 -8.565 5.755 -23.445 1.00 1.00 N ATOM 340 CA LEU A 21 -9.804 6.466 -23.126 1.00 1.00 C ATOM 341 C LEU A 21 -9.992 7.749 -23.960 1.00 1.00 C ATOM 342 O LEU A 21 -11.090 8.341 -23.962 1.00 1.00 O ATOM 343 CB LEU A 21 -9.830 6.753 -21.642 1.00 1.00 C ATOM 344 CG LEU A 21 -11.112 6.333 -20.927 1.00 1.00 C ATOM 345 CD1 LEU A 21 -10.806 5.294 -19.863 1.00 1.00 C ATOM 346 CD2 LEU A 21 -11.796 7.547 -20.316 1.00 1.00 C ATOM 0 H LEU A 21 -7.787 6.009 -22.837 1.00 1.00 H new ATOM 0 HA LEU A 21 -10.646 5.827 -23.391 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -8.987 6.244 -21.174 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -9.681 7.822 -21.491 1.00 1.00 H new ATOM 0 HG LEU A 21 -11.791 5.887 -21.654 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -11.729 5.004 -19.361 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -10.355 4.418 -20.329 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -10.113 5.713 -19.133 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -12.709 7.234 -19.809 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -11.126 8.019 -19.598 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -12.044 8.259 -21.103 1.00 1.00 H new ATOM 358 N GLU A 22 -8.890 8.148 -24.672 1.00 1.00 N ATOM 359 CA GLU A 22 -8.876 9.328 -25.529 1.00 1.00 C ATOM 360 C GLU A 22 -8.956 8.987 -27.034 1.00 1.00 C ATOM 361 O GLU A 22 -9.449 9.835 -27.811 1.00 1.00 O ATOM 362 CB GLU A 22 -7.658 10.172 -25.225 1.00 1.00 C ATOM 363 CG GLU A 22 -7.924 11.280 -24.223 1.00 1.00 C ATOM 364 CD GLU A 22 -6.723 12.173 -24.039 1.00 1.00 C ATOM 365 OE1 GLU A 22 -5.891 11.879 -23.154 1.00 1.00 O ATOM 366 OE2 GLU A 22 -6.614 13.180 -24.773 1.00 1.00 O ATOM 0 H GLU A 22 -8.002 7.647 -24.652 1.00 1.00 H new ATOM 0 HA GLU A 22 -9.777 9.899 -25.305 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -6.866 9.528 -24.841 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -7.290 10.612 -26.152 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -8.772 11.877 -24.559 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -8.202 10.843 -23.264 1.00 1.00 H new ATOM 373 N GLY A 23 -8.489 7.773 -27.404 1.00 1.00 N ATOM 374 CA GLY A 23 -8.517 7.333 -28.774 1.00 1.00 C ATOM 375 C GLY A 23 -8.417 5.855 -28.887 1.00 1.00 C ATOM 376 O GLY A 23 -8.325 5.128 -27.866 1.00 1.00 O ATOM 0 H GLY A 23 -8.091 7.095 -26.754 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -9.441 7.671 -29.244 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -7.694 7.795 -29.320 1.00 1.00 H new ATOM 380 N ASP A 24 -8.440 5.376 -30.133 1.00 1.00 N ATOM 381 CA ASP A 24 -8.358 3.934 -30.437 1.00 1.00 C ATOM 382 C ASP A 24 -7.047 3.622 -31.124 1.00 1.00 C ATOM 383 O ASP A 24 -6.674 4.310 -32.122 1.00 1.00 O ATOM 384 CB ASP A 24 -9.583 3.449 -31.271 1.00 1.00 C ATOM 385 CG ASP A 24 -9.900 4.298 -32.523 1.00 1.00 C ATOM 386 OD1 ASP A 24 -10.456 5.396 -32.340 1.00 1.00 O ATOM 387 OD2 ASP A 24 -9.448 3.910 -33.605 1.00 1.00 O ATOM 0 H ASP A 24 -8.515 5.968 -30.960 1.00 1.00 H new ATOM 0 HA ASP A 24 -8.389 3.382 -29.497 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -9.406 2.420 -31.584 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -10.461 3.439 -30.626 1.00 1.00 H new ATOM 392 N TYR A 25 -6.376 2.595 -30.620 1.00 1.00 N ATOM 393 CA TYR A 25 -5.100 2.174 -31.176 1.00 1.00 C ATOM 394 C TYR A 25 -5.058 0.709 -31.298 1.00 1.00 C ATOM 395 O TYR A 25 -5.641 -0.016 -30.451 1.00 1.00 O ATOM 396 CB TYR A 25 -3.891 2.687 -30.323 1.00 1.00 C ATOM 397 CG TYR A 25 -3.558 4.166 -30.524 1.00 1.00 C ATOM 398 CD1 TYR A 25 -2.673 4.563 -31.521 1.00 1.00 C ATOM 399 CD2 TYR A 25 -4.120 5.140 -29.701 1.00 1.00 C ATOM 400 CE1 TYR A 25 -2.358 5.881 -31.693 1.00 1.00 C ATOM 401 CE2 TYR A 25 -3.813 6.461 -29.874 1.00 1.00 C ATOM 402 CZ TYR A 25 -2.929 6.828 -30.867 1.00 1.00 C ATOM 403 OH TYR A 25 -2.608 8.152 -31.032 1.00 1.00 O ATOM 0 H TYR A 25 -6.695 2.039 -29.827 1.00 1.00 H new ATOM 0 HA TYR A 25 -5.010 2.619 -32.167 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -4.108 2.516 -29.269 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -3.011 2.092 -30.568 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -2.229 3.820 -32.167 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -4.805 4.848 -28.919 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -1.668 6.179 -32.469 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -4.259 7.211 -29.238 1.00 1.00 H new ATOM 0 HH TYR A 25 -3.094 8.691 -30.374 1.00 1.00 H new ATOM 413 N SER A 26 -4.353 0.241 -32.347 1.00 1.00 N ATOM 414 CA SER A 26 -4.161 -1.161 -32.607 1.00 1.00 C ATOM 415 C SER A 26 -3.045 -1.726 -31.685 1.00 1.00 C ATOM 416 O SER A 26 -2.334 -0.907 -31.061 1.00 1.00 O ATOM 417 CB SER A 26 -3.825 -1.431 -34.074 1.00 1.00 C ATOM 418 OG SER A 26 -4.902 -2.108 -34.702 1.00 1.00 O ATOM 0 H SER A 26 -3.905 0.849 -33.032 1.00 1.00 H new ATOM 0 HA SER A 26 -5.101 -1.668 -32.390 1.00 1.00 H new ATOM 0 HB2 SER A 26 -3.626 -0.491 -34.589 1.00 1.00 H new ATOM 0 HB3 SER A 26 -2.918 -2.031 -34.143 1.00 1.00 H new ATOM 0 HG SER A 26 -4.680 -2.276 -35.642 1.00 1.00 H new ATOM 424 N PRO A 27 -2.918 -3.132 -31.454 1.00 1.00 N ATOM 425 CA PRO A 27 -1.836 -3.718 -30.610 1.00 1.00 C ATOM 426 C PRO A 27 -0.399 -3.287 -30.988 1.00 1.00 C ATOM 427 O PRO A 27 0.383 -2.896 -30.080 1.00 1.00 O ATOM 428 CB PRO A 27 -2.050 -5.181 -30.836 1.00 1.00 C ATOM 429 CG PRO A 27 -3.502 -5.324 -31.095 1.00 1.00 C ATOM 430 CD PRO A 27 -3.823 -4.214 -31.961 1.00 1.00 C ATOM 0 HA PRO A 27 -1.901 -3.387 -29.573 1.00 1.00 H new ATOM 0 HB2 PRO A 27 -1.462 -5.539 -31.681 1.00 1.00 H new ATOM 0 HB3 PRO A 27 -1.746 -5.763 -29.966 1.00 1.00 H new ATOM 0 HG2 PRO A 27 -3.729 -6.278 -31.571 1.00 1.00 H new ATOM 0 HG3 PRO A 27 -4.077 -5.285 -30.170 1.00 1.00 H new ATOM 0 HD2 PRO A 27 -3.629 -4.447 -33.008 1.00 1.00 H new ATOM 0 HD3 PRO A 27 -4.873 -3.932 -31.886 1.00 1.00 H new ATOM 438 N SER A 28 -0.075 -3.333 -32.349 1.00 1.00 N ATOM 439 CA SER A 28 1.211 -2.821 -32.901 1.00 1.00 C ATOM 440 C SER A 28 1.426 -1.308 -32.635 1.00 1.00 C ATOM 441 O SER A 28 2.541 -0.876 -32.384 1.00 1.00 O ATOM 442 CB SER A 28 1.309 -3.107 -34.369 1.00 1.00 C ATOM 443 OG SER A 28 1.487 -4.479 -34.612 1.00 1.00 O ATOM 0 H SER A 28 -0.698 -3.721 -33.057 1.00 1.00 H new ATOM 0 HA SER A 28 2.004 -3.352 -32.374 1.00 1.00 H new ATOM 0 HB2 SER A 28 0.405 -2.761 -34.870 1.00 1.00 H new ATOM 0 HB3 SER A 28 2.143 -2.549 -34.795 1.00 1.00 H new ATOM 0 HG SER A 28 1.546 -4.635 -35.578 1.00 1.00 H new ATOM 449 N GLU A 29 0.241 -0.554 -32.615 1.00 1.00 N ATOM 450 CA GLU A 29 0.179 0.885 -32.283 1.00 1.00 C ATOM 451 C GLU A 29 0.421 1.167 -30.764 1.00 1.00 C ATOM 452 O GLU A 29 1.192 2.070 -30.436 1.00 1.00 O ATOM 453 CB GLU A 29 -1.112 1.464 -32.721 1.00 1.00 C ATOM 454 CG GLU A 29 -1.027 2.146 -34.052 1.00 1.00 C ATOM 455 CD GLU A 29 -2.350 2.134 -34.778 1.00 1.00 C ATOM 456 OE1 GLU A 29 -3.147 3.077 -34.574 1.00 1.00 O ATOM 457 OE2 GLU A 29 -2.593 1.188 -35.558 1.00 1.00 O ATOM 0 H GLU A 29 -0.671 -0.956 -32.832 1.00 1.00 H new ATOM 0 HA GLU A 29 0.991 1.369 -32.826 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -1.860 0.673 -32.772 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -1.455 2.180 -31.974 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -0.700 3.176 -33.911 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -0.273 1.653 -34.665 1.00 1.00 H new ATOM 464 N LEU A 30 -0.112 0.197 -29.899 1.00 1.00 N ATOM 465 CA LEU A 30 0.130 0.195 -28.445 1.00 1.00 C ATOM 466 C LEU A 30 1.584 -0.194 -28.100 1.00 1.00 C ATOM 467 O LEU A 30 2.037 -0.069 -26.967 1.00 1.00 O ATOM 468 CB LEU A 30 -0.856 -0.701 -27.739 1.00 1.00 C ATOM 469 CG LEU A 30 -2.200 -0.084 -27.369 1.00 1.00 C ATOM 470 CD1 LEU A 30 -3.325 -0.930 -27.922 1.00 1.00 C ATOM 471 CD2 LEU A 30 -2.335 0.042 -25.854 1.00 1.00 C ATOM 0 H LEU A 30 -0.702 -0.571 -30.218 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.019 1.214 -28.089 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -1.043 -1.568 -28.373 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -0.388 -1.069 -26.826 1.00 1.00 H new ATOM 0 HG LEU A 30 -2.256 0.914 -27.804 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.282 -0.483 -27.654 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -3.241 -0.983 -29.007 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.264 -1.935 -27.504 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -3.301 0.484 -25.610 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -2.263 -0.946 -25.399 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.537 0.678 -25.469 1.00 1.00 H new ATOM 483 N ALA A 31 2.350 -0.532 -29.215 1.00 1.00 N ATOM 484 CA ALA A 31 3.758 -0.843 -29.151 1.00 1.00 C ATOM 485 C ALA A 31 4.571 0.337 -29.616 1.00 1.00 C ATOM 486 O ALA A 31 5.684 0.551 -29.105 1.00 1.00 O ATOM 487 CB ALA A 31 4.095 -2.091 -29.922 1.00 1.00 C ATOM 0 H ALA A 31 1.965 -0.583 -30.158 1.00 1.00 H new ATOM 0 HA ALA A 31 4.013 -1.047 -28.111 1.00 1.00 H new ATOM 0 HB1 ALA A 31 5.165 -2.287 -29.847 1.00 1.00 H new ATOM 0 HB2 ALA A 31 3.541 -2.934 -29.509 1.00 1.00 H new ATOM 0 HB3 ALA A 31 3.824 -1.956 -30.969 1.00 1.00 H new ATOM 493 N ARG A 32 3.976 1.159 -30.575 1.00 1.00 N ATOM 494 CA ARG A 32 4.592 2.409 -31.099 1.00 1.00 C ATOM 495 C ARG A 32 4.733 3.470 -29.993 1.00 1.00 C ATOM 496 O ARG A 32 5.819 4.017 -29.789 1.00 1.00 O ATOM 497 CB ARG A 32 3.809 2.942 -32.269 1.00 1.00 C ATOM 498 CG ARG A 32 4.322 2.467 -33.605 1.00 1.00 C ATOM 499 CD ARG A 32 4.190 3.543 -34.634 1.00 1.00 C ATOM 500 NE ARG A 32 2.884 3.525 -35.340 1.00 1.00 N ATOM 501 CZ ARG A 32 2.388 4.552 -36.080 1.00 1.00 C ATOM 502 NH1 ARG A 32 3.129 5.609 -36.368 1.00 1.00 N ATOM 503 NH2 ARG A 32 1.163 4.489 -36.533 1.00 1.00 N ATOM 0 H ARG A 32 3.066 0.955 -30.987 1.00 1.00 H new ATOM 0 HA ARG A 32 5.595 2.166 -31.448 1.00 1.00 H new ATOM 0 HB2 ARG A 32 2.766 2.645 -32.163 1.00 1.00 H new ATOM 0 HB3 ARG A 32 3.834 4.031 -32.246 1.00 1.00 H new ATOM 0 HG2 ARG A 32 5.367 2.170 -33.514 1.00 1.00 H new ATOM 0 HG3 ARG A 32 3.766 1.584 -33.921 1.00 1.00 H new ATOM 0 HD2 ARG A 32 4.322 4.513 -34.154 1.00 1.00 H new ATOM 0 HD3 ARG A 32 4.992 3.437 -35.365 1.00 1.00 H new ATOM 0 HE ARG A 32 2.317 2.680 -35.264 1.00 1.00 H new ATOM 0 HH11 ARG A 32 4.091 5.664 -36.033 1.00 1.00 H new ATOM 0 HH12 ARG A 32 2.738 6.369 -36.925 1.00 1.00 H new ATOM 0 HH21 ARG A 32 0.586 3.673 -36.331 1.00 1.00 H new ATOM 0 HH22 ARG A 32 0.785 5.256 -37.089 1.00 1.00 H new ATOM 517 N ILE A 33 3.620 3.683 -29.214 1.00 1.00 N ATOM 518 CA ILE A 33 3.585 4.565 -28.047 1.00 1.00 C ATOM 519 C ILE A 33 4.110 3.760 -26.821 1.00 1.00 C ATOM 520 O ILE A 33 3.243 3.300 -25.991 1.00 1.00 O ATOM 521 CB ILE A 33 2.106 5.182 -27.833 1.00 1.00 C ATOM 522 CG1 ILE A 33 2.128 6.171 -26.630 1.00 1.00 C ATOM 523 CG2 ILE A 33 1.049 4.045 -27.617 1.00 1.00 C ATOM 524 CD1 ILE A 33 1.717 7.552 -26.969 1.00 1.00 C ATOM 0 H ILE A 33 2.725 3.231 -29.401 1.00 1.00 H new ATOM 0 HA ILE A 33 4.234 5.429 -28.190 1.00 1.00 H new ATOM 0 HB ILE A 33 1.812 5.727 -28.730 1.00 1.00 H new ATOM 0 HG12 ILE A 33 1.470 5.790 -25.849 1.00 1.00 H new ATOM 0 HG13 ILE A 33 3.135 6.196 -26.214 1.00 1.00 H new ATOM 0 HG21 ILE A 33 0.063 4.487 -27.476 1.00 1.00 H new ATOM 0 HG22 ILE A 33 1.032 3.393 -28.490 1.00 1.00 H new ATOM 0 HG23 ILE A 33 1.316 3.463 -26.735 1.00 1.00 H new ATOM 0 HD11 ILE A 33 1.761 8.174 -26.075 1.00 1.00 H new ATOM 0 HD12 ILE A 33 2.389 7.956 -27.726 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.698 7.544 -27.356 1.00 1.00 H new ATOM 536 N LEU A 34 5.391 3.669 -26.636 1.00 1.00 N ATOM 537 CA LEU A 34 6.012 2.858 -25.533 1.00 1.00 C ATOM 538 C LEU A 34 7.398 2.413 -25.969 1.00 1.00 C ATOM 539 O LEU A 34 8.017 3.007 -26.880 1.00 1.00 O ATOM 540 CB LEU A 34 5.082 1.590 -25.240 1.00 1.00 C ATOM 541 CG LEU A 34 4.856 1.287 -23.791 1.00 1.00 C ATOM 542 CD1 LEU A 34 3.388 1.429 -23.420 1.00 1.00 C ATOM 543 CD2 LEU A 34 5.368 -0.084 -23.498 1.00 1.00 C ATOM 0 H LEU A 34 6.073 4.143 -27.228 1.00 1.00 H new ATOM 0 HA LEU A 34 6.102 3.451 -24.623 1.00 1.00 H new ATOM 0 HB2 LEU A 34 4.115 1.751 -25.716 1.00 1.00 H new ATOM 0 HB3 LEU A 34 5.528 0.715 -25.712 1.00 1.00 H new ATOM 0 HG LEU A 34 5.401 2.007 -23.181 1.00 1.00 H new ATOM 0 HD11 LEU A 34 3.257 1.202 -22.362 1.00 1.00 H new ATOM 0 HD12 LEU A 34 3.060 2.450 -23.616 1.00 1.00 H new ATOM 0 HD13 LEU A 34 2.793 0.736 -24.016 1.00 1.00 H new ATOM 0 HD21 LEU A 34 5.208 -0.315 -22.445 1.00 1.00 H new ATOM 0 HD22 LEU A 34 4.837 -0.810 -24.113 1.00 1.00 H new ATOM 0 HD23 LEU A 34 6.434 -0.130 -23.722 1.00 1.00 H new ATOM 644 N SER A 41 4.796 -8.441 -28.663 1.00 1.00 N ATOM 645 CA SER A 41 4.010 -7.227 -28.339 1.00 1.00 C ATOM 646 C SER A 41 2.530 -7.404 -28.611 1.00 1.00 C ATOM 647 O SER A 41 1.695 -6.834 -27.872 1.00 1.00 O ATOM 648 CB SER A 41 4.523 -6.007 -29.129 1.00 1.00 C ATOM 649 OG SER A 41 5.561 -5.357 -28.421 1.00 1.00 O ATOM 0 HA SER A 41 4.143 -7.058 -27.271 1.00 1.00 H new ATOM 0 HB2 SER A 41 4.886 -6.326 -30.106 1.00 1.00 H new ATOM 0 HB3 SER A 41 3.704 -5.310 -29.305 1.00 1.00 H new ATOM 0 HG SER A 41 5.876 -4.586 -28.937 1.00 1.00 H new ATOM 655 N LYS A 42 2.206 -8.254 -29.648 1.00 1.00 N ATOM 656 CA LYS A 42 0.829 -8.513 -30.101 1.00 1.00 C ATOM 657 C LYS A 42 -0.005 -9.412 -29.156 1.00 1.00 C ATOM 658 O LYS A 42 -1.033 -8.936 -28.656 1.00 1.00 O ATOM 659 CB LYS A 42 0.848 -9.100 -31.502 1.00 1.00 C ATOM 660 CG LYS A 42 0.634 -8.084 -32.597 1.00 1.00 C ATOM 661 CD LYS A 42 0.769 -8.724 -33.966 1.00 1.00 C ATOM 662 CE LYS A 42 0.569 -7.704 -35.072 1.00 1.00 C ATOM 663 NZ LYS A 42 0.710 -8.313 -36.422 1.00 1.00 N ATOM 0 H LYS A 42 2.909 -8.768 -30.179 1.00 1.00 H new ATOM 0 HA LYS A 42 0.329 -7.545 -30.096 1.00 1.00 H new ATOM 0 HB2 LYS A 42 1.805 -9.597 -31.664 1.00 1.00 H new ATOM 0 HB3 LYS A 42 0.075 -9.865 -31.575 1.00 1.00 H new ATOM 0 HG2 LYS A 42 -0.355 -7.638 -32.496 1.00 1.00 H new ATOM 0 HG3 LYS A 42 1.359 -7.277 -32.496 1.00 1.00 H new ATOM 0 HD2 LYS A 42 1.755 -9.179 -34.062 1.00 1.00 H new ATOM 0 HD3 LYS A 42 0.037 -9.525 -34.070 1.00 1.00 H new ATOM 0 HE2 LYS A 42 -0.420 -7.256 -34.978 1.00 1.00 H new ATOM 0 HE3 LYS A 42 1.296 -6.899 -34.959 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 0.566 -7.583 -37.149 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 1.662 -8.718 -36.522 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 0.000 -9.064 -36.540 1.00 1.00 H new ATOM 677 N LYS A 43 0.565 -10.605 -28.812 1.00 1.00 N ATOM 678 CA LYS A 43 -0.094 -11.607 -27.953 1.00 1.00 C ATOM 679 C LYS A 43 -0.117 -11.231 -26.471 1.00 1.00 C ATOM 680 O LYS A 43 -1.054 -11.569 -25.752 1.00 1.00 O ATOM 681 CB LYS A 43 0.551 -12.953 -28.160 1.00 1.00 C ATOM 682 CG LYS A 43 -0.188 -13.840 -29.136 1.00 1.00 C ATOM 683 CD LYS A 43 0.587 -15.117 -29.391 1.00 1.00 C ATOM 684 CE LYS A 43 -0.139 -16.013 -30.376 1.00 1.00 C ATOM 685 NZ LYS A 43 0.629 -17.255 -30.664 1.00 1.00 N ATOM 0 H LYS A 43 1.493 -10.888 -29.128 1.00 1.00 H new ATOM 0 HA LYS A 43 -1.140 -11.646 -28.257 1.00 1.00 H new ATOM 0 HB2 LYS A 43 1.570 -12.806 -28.517 1.00 1.00 H new ATOM 0 HB3 LYS A 43 0.620 -13.464 -27.200 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -1.175 -14.080 -28.741 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.341 -13.308 -30.075 1.00 1.00 H new ATOM 0 HD2 LYS A 43 1.576 -14.874 -29.778 1.00 1.00 H new ATOM 0 HD3 LYS A 43 0.734 -15.650 -28.451 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -1.118 -16.276 -29.975 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -0.311 -15.468 -31.304 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.100 -17.841 -31.341 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 1.553 -17.005 -31.070 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 0.771 -17.788 -29.782 1.00 1.00 H new ATOM 699 N VAL A 44 0.932 -10.457 -26.093 1.00 1.00 N ATOM 700 CA VAL A 44 1.120 -9.952 -24.704 1.00 1.00 C ATOM 701 C VAL A 44 0.025 -8.915 -24.327 1.00 1.00 C ATOM 702 O VAL A 44 -0.460 -8.946 -23.195 1.00 1.00 O ATOM 703 CB VAL A 44 2.536 -9.365 -24.455 1.00 1.00 C ATOM 704 CG1 VAL A 44 2.839 -9.320 -22.962 1.00 1.00 C ATOM 705 CG2 VAL A 44 3.601 -10.145 -25.200 1.00 1.00 C ATOM 0 H VAL A 44 1.668 -10.166 -26.736 1.00 1.00 H new ATOM 0 HA VAL A 44 1.020 -10.820 -24.053 1.00 1.00 H new ATOM 0 HB VAL A 44 2.548 -8.346 -24.842 1.00 1.00 H new ATOM 0 HG11 VAL A 44 3.835 -8.906 -22.805 1.00 1.00 H new ATOM 0 HG12 VAL A 44 2.102 -8.693 -22.460 1.00 1.00 H new ATOM 0 HG13 VAL A 44 2.797 -10.329 -22.552 1.00 1.00 H new ATOM 0 HG21 VAL A 44 4.579 -9.706 -25.002 1.00 1.00 H new ATOM 0 HG22 VAL A 44 3.594 -11.182 -24.864 1.00 1.00 H new ATOM 0 HG23 VAL A 44 3.397 -10.109 -26.270 1.00 1.00 H new ATOM 715 N ILE A 45 -0.291 -8.052 -25.313 1.00 1.00 N ATOM 716 CA ILE A 45 -1.335 -7.034 -25.142 1.00 1.00 C ATOM 717 C ILE A 45 -2.796 -7.640 -25.161 1.00 1.00 C ATOM 718 O ILE A 45 -3.731 -6.918 -24.798 1.00 1.00 O ATOM 719 CB ILE A 45 -1.132 -5.849 -26.165 1.00 1.00 C ATOM 720 CG1 ILE A 45 -1.591 -4.525 -25.519 1.00 1.00 C ATOM 721 CG2 ILE A 45 -1.896 -6.127 -27.453 1.00 1.00 C ATOM 722 CD1 ILE A 45 -0.487 -3.532 -25.325 1.00 1.00 C ATOM 0 H ILE A 45 0.160 -8.043 -26.228 1.00 1.00 H new ATOM 0 HA ILE A 45 -1.227 -6.614 -24.142 1.00 1.00 H new ATOM 0 HB ILE A 45 -0.075 -5.763 -26.417 1.00 1.00 H new ATOM 0 HG12 ILE A 45 -2.365 -4.077 -26.142 1.00 1.00 H new ATOM 0 HG13 ILE A 45 -2.046 -4.742 -24.553 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -1.747 -5.302 -28.150 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -1.530 -7.051 -27.901 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -2.958 -6.228 -27.231 1.00 1.00 H new ATOM 0 HD11 ILE A 45 -0.887 -2.628 -24.866 1.00 1.00 H new ATOM 0 HD12 ILE A 45 0.277 -3.960 -24.676 1.00 1.00 H new ATOM 0 HD13 ILE A 45 -0.046 -3.284 -26.291 1.00 1.00 H new ATOM 734 N LEU A 46 -2.900 -8.807 -25.828 1.00 1.00 N ATOM 735 CA LEU A 46 -4.152 -9.531 -25.991 1.00 1.00 C ATOM 736 C LEU A 46 -4.595 -10.214 -24.697 1.00 1.00 C ATOM 737 O LEU A 46 -5.788 -10.244 -24.397 1.00 1.00 O ATOM 738 CB LEU A 46 -4.078 -10.487 -27.160 1.00 1.00 C ATOM 739 CG LEU A 46 -4.213 -9.868 -28.568 1.00 1.00 C ATOM 740 CD1 LEU A 46 -3.483 -10.734 -29.569 1.00 1.00 C ATOM 741 CD2 LEU A 46 -5.666 -9.703 -28.975 1.00 1.00 C ATOM 0 H LEU A 46 -2.103 -9.268 -26.268 1.00 1.00 H new ATOM 0 HA LEU A 46 -4.928 -8.802 -26.223 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -3.125 -11.014 -27.109 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -4.862 -11.234 -27.039 1.00 1.00 H new ATOM 0 HG LEU A 46 -3.768 -8.873 -28.547 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -3.577 -10.299 -30.564 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -2.429 -10.794 -29.298 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -3.916 -11.734 -29.568 1.00 1.00 H new ATOM 0 HD21 LEU A 46 -5.717 -9.264 -29.972 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -6.155 -10.677 -28.982 1.00 1.00 H new ATOM 0 HD23 LEU A 46 -6.171 -9.049 -28.264 1.00 1.00 H new ATOM 753 N GLU A 47 -3.548 -10.725 -23.950 1.00 1.00 N ATOM 754 CA GLU A 47 -3.739 -11.349 -22.626 1.00 1.00 C ATOM 755 C GLU A 47 -4.031 -10.292 -21.545 1.00 1.00 C ATOM 756 O GLU A 47 -4.744 -10.566 -20.573 1.00 1.00 O ATOM 757 CB GLU A 47 -2.581 -12.212 -22.264 1.00 1.00 C ATOM 758 CG GLU A 47 -2.841 -13.678 -22.512 1.00 1.00 C ATOM 759 CD GLU A 47 -1.732 -14.554 -21.976 1.00 1.00 C ATOM 760 OE1 GLU A 47 -0.744 -14.788 -22.709 1.00 1.00 O ATOM 761 OE2 GLU A 47 -1.851 -15.021 -20.822 1.00 1.00 O ATOM 0 H GLU A 47 -2.577 -10.706 -24.261 1.00 1.00 H new ATOM 0 HA GLU A 47 -4.615 -11.995 -22.685 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -1.709 -11.901 -22.839 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -2.339 -12.064 -21.212 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -3.784 -13.962 -22.045 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -2.952 -13.849 -23.583 1.00 1.00 H new ATOM 768 N ASP A 48 -3.490 -9.032 -21.804 1.00 1.00 N ATOM 769 CA ASP A 48 -3.744 -7.819 -20.971 1.00 1.00 C ATOM 770 C ASP A 48 -5.212 -7.385 -21.028 1.00 1.00 C ATOM 771 O ASP A 48 -5.794 -7.053 -19.995 1.00 1.00 O ATOM 772 CB ASP A 48 -2.837 -6.697 -21.337 1.00 1.00 C ATOM 773 CG ASP A 48 -1.533 -6.723 -20.585 1.00 1.00 C ATOM 774 OD1 ASP A 48 -1.531 -6.364 -19.387 1.00 1.00 O ATOM 775 OD2 ASP A 48 -0.515 -7.087 -21.189 1.00 1.00 O ATOM 0 H ASP A 48 -2.872 -8.852 -22.596 1.00 1.00 H new ATOM 0 HA ASP A 48 -3.525 -8.095 -19.940 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -2.633 -6.736 -22.407 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -3.343 -5.751 -21.143 1.00 1.00 H new ATOM 780 N LEU A 49 -5.844 -7.617 -22.239 1.00 1.00 N ATOM 781 CA LEU A 49 -7.272 -7.393 -22.466 1.00 1.00 C ATOM 782 C LEU A 49 -8.210 -8.265 -21.688 1.00 1.00 C ATOM 783 O LEU A 49 -9.269 -7.800 -21.264 1.00 1.00 O ATOM 784 CB LEU A 49 -7.587 -7.432 -23.962 1.00 1.00 C ATOM 785 CG LEU A 49 -7.845 -6.068 -24.671 1.00 1.00 C ATOM 786 CD1 LEU A 49 -9.271 -5.586 -24.379 1.00 1.00 C ATOM 787 CD2 LEU A 49 -6.817 -5.005 -24.267 1.00 1.00 C ATOM 0 H LEU A 49 -5.352 -7.963 -23.063 1.00 1.00 H new ATOM 0 HA LEU A 49 -7.461 -6.396 -22.068 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -6.758 -7.925 -24.469 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -8.467 -8.059 -24.106 1.00 1.00 H new ATOM 0 HG LEU A 49 -7.734 -6.225 -25.744 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -9.442 -4.632 -24.878 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -9.986 -6.322 -24.747 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -9.400 -5.461 -23.304 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -7.036 -4.071 -24.785 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -6.866 -4.842 -23.190 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -5.817 -5.344 -24.538 1.00 1.00 H new ATOM 799 N LYS A 50 -7.733 -9.519 -21.490 1.00 1.00 N ATOM 800 CA LYS A 50 -8.433 -10.556 -20.707 1.00 1.00 C ATOM 801 C LYS A 50 -8.572 -10.171 -19.222 1.00 1.00 C ATOM 802 O LYS A 50 -9.630 -10.345 -18.626 1.00 1.00 O ATOM 803 CB LYS A 50 -7.761 -11.903 -20.830 1.00 1.00 C ATOM 804 CG LYS A 50 -7.967 -12.579 -22.168 1.00 1.00 C ATOM 805 CD LYS A 50 -7.271 -13.913 -22.217 1.00 1.00 C ATOM 806 CE LYS A 50 -7.367 -14.524 -23.598 1.00 1.00 C ATOM 807 NZ LYS A 50 -6.742 -15.872 -23.647 1.00 1.00 N ATOM 0 H LYS A 50 -6.843 -9.837 -21.875 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.434 -10.629 -21.132 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -6.692 -11.780 -20.659 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -8.137 -12.557 -20.043 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.033 -12.715 -22.349 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -7.588 -11.938 -22.964 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -6.224 -13.791 -21.941 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -7.717 -14.587 -21.485 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -8.414 -14.597 -23.892 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -6.879 -13.870 -24.320 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -6.827 -16.259 -24.608 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -5.737 -15.798 -23.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -7.225 -16.503 -22.976 1.00 1.00 H new ATOM 821 N VAL A 51 -7.514 -9.489 -18.705 1.00 1.00 N ATOM 822 CA VAL A 51 -7.439 -8.982 -17.319 1.00 1.00 C ATOM 823 C VAL A 51 -8.325 -7.742 -17.119 1.00 1.00 C ATOM 824 O VAL A 51 -9.125 -7.742 -16.186 1.00 1.00 O ATOM 825 CB VAL A 51 -5.969 -8.662 -16.875 1.00 1.00 C ATOM 826 CG1 VAL A 51 -5.862 -8.649 -15.352 1.00 1.00 C ATOM 827 CG2 VAL A 51 -4.959 -9.619 -17.483 1.00 1.00 C ATOM 0 H VAL A 51 -6.680 -9.276 -19.253 1.00 1.00 H new ATOM 0 HA VAL A 51 -7.813 -9.787 -16.686 1.00 1.00 H new ATOM 0 HB VAL A 51 -5.726 -7.669 -17.253 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -4.836 -8.425 -15.061 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -6.528 -7.887 -14.947 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -6.146 -9.625 -14.959 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -3.957 -9.354 -17.144 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -5.190 -10.638 -17.172 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -5.004 -9.553 -18.570 1.00 1.00 H new ATOM 837 N ILE A 52 -8.237 -6.805 -18.092 1.00 1.00 N ATOM 838 CA ILE A 52 -8.968 -5.531 -18.065 1.00 1.00 C ATOM 839 C ILE A 52 -10.487 -5.722 -18.262 1.00 1.00 C ATOM 840 O ILE A 52 -11.246 -4.976 -17.646 1.00 1.00 O ATOM 841 CB ILE A 52 -8.402 -4.485 -19.070 1.00 1.00 C ATOM 842 CG1 ILE A 52 -6.883 -4.269 -18.852 1.00 1.00 C ATOM 843 CG2 ILE A 52 -9.157 -3.142 -18.940 1.00 1.00 C ATOM 844 CD1 ILE A 52 -6.120 -3.969 -20.128 1.00 1.00 C ATOM 0 H ILE A 52 -7.652 -6.919 -18.919 1.00 1.00 H new ATOM 0 HA ILE A 52 -8.813 -5.127 -17.064 1.00 1.00 H new ATOM 0 HB ILE A 52 -8.551 -4.874 -20.077 1.00 1.00 H new ATOM 0 HG12 ILE A 52 -6.739 -3.447 -18.151 1.00 1.00 H new ATOM 0 HG13 ILE A 52 -6.461 -5.161 -18.388 1.00 1.00 H new ATOM 0 HG21 ILE A 52 -8.747 -2.424 -19.650 1.00 1.00 H new ATOM 0 HG22 ILE A 52 -10.215 -3.298 -19.151 1.00 1.00 H new ATOM 0 HG23 ILE A 52 -9.042 -2.756 -17.927 1.00 1.00 H new ATOM 0 HD11 ILE A 52 -5.064 -3.830 -19.896 1.00 1.00 H new ATOM 0 HD12 ILE A 52 -6.232 -4.801 -20.823 1.00 1.00 H new ATOM 0 HD13 ILE A 52 -6.514 -3.060 -20.583 1.00 1.00 H new ATOM 856 N SER A 53 -10.847 -6.690 -19.120 1.00 1.00 N ATOM 857 CA SER A 53 -12.265 -7.021 -19.419 1.00 1.00 C ATOM 858 C SER A 53 -13.086 -7.486 -18.189 1.00 1.00 C ATOM 859 O SER A 53 -14.262 -7.139 -18.062 1.00 1.00 O ATOM 860 CB SER A 53 -12.369 -8.052 -20.514 1.00 1.00 C ATOM 861 OG SER A 53 -11.608 -9.229 -20.228 1.00 1.00 O ATOM 0 H SER A 53 -10.175 -7.266 -19.627 1.00 1.00 H new ATOM 0 HA SER A 53 -12.704 -6.080 -19.751 1.00 1.00 H new ATOM 0 HB2 SER A 53 -13.415 -8.324 -20.655 1.00 1.00 H new ATOM 0 HB3 SER A 53 -12.023 -7.618 -21.452 1.00 1.00 H new ATOM 0 HG SER A 53 -10.664 -9.067 -20.437 1.00 1.00 H new ATOM 867 N LYS A 54 -12.347 -8.170 -17.231 1.00 1.00 N ATOM 868 CA LYS A 54 -12.921 -8.669 -15.968 1.00 1.00 C ATOM 869 C LYS A 54 -13.257 -7.555 -14.977 1.00 1.00 C ATOM 870 O LYS A 54 -14.294 -7.597 -14.321 1.00 1.00 O ATOM 871 CB LYS A 54 -12.019 -9.692 -15.328 1.00 1.00 C ATOM 872 CG LYS A 54 -12.240 -11.104 -15.816 1.00 1.00 C ATOM 873 CD LYS A 54 -11.302 -12.062 -15.123 1.00 1.00 C ATOM 874 CE LYS A 54 -11.539 -13.482 -15.591 1.00 1.00 C ATOM 875 NZ LYS A 54 -10.617 -14.444 -14.932 1.00 1.00 N ATOM 0 H LYS A 54 -11.353 -8.374 -17.336 1.00 1.00 H new ATOM 0 HA LYS A 54 -13.864 -9.146 -16.234 1.00 1.00 H new ATOM 0 HB2 LYS A 54 -10.982 -9.413 -15.515 1.00 1.00 H new ATOM 0 HB3 LYS A 54 -12.167 -9.665 -14.248 1.00 1.00 H new ATOM 0 HG2 LYS A 54 -13.272 -11.400 -15.631 1.00 1.00 H new ATOM 0 HG3 LYS A 54 -12.084 -11.150 -16.894 1.00 1.00 H new ATOM 0 HD2 LYS A 54 -10.270 -11.776 -15.324 1.00 1.00 H new ATOM 0 HD3 LYS A 54 -11.445 -12.001 -14.044 1.00 1.00 H new ATOM 0 HE2 LYS A 54 -12.570 -13.766 -15.381 1.00 1.00 H new ATOM 0 HE3 LYS A 54 -11.407 -13.535 -16.672 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 -10.811 -15.405 -15.279 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 -9.633 -14.189 -15.152 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 -10.760 -14.413 -13.902 1.00 1.00 H new ATOM 889 N ILE A 55 -12.399 -6.513 -15.014 1.00 1.00 N ATOM 890 CA ILE A 55 -12.515 -5.329 -14.146 1.00 1.00 C ATOM 891 C ILE A 55 -13.454 -4.307 -14.728 1.00 1.00 C ATOM 892 O ILE A 55 -14.265 -3.761 -13.979 1.00 1.00 O ATOM 893 CB ILE A 55 -11.155 -4.658 -13.790 1.00 1.00 C ATOM 894 CG1 ILE A 55 -9.993 -5.677 -13.807 1.00 1.00 C ATOM 895 CG2 ILE A 55 -11.243 -3.978 -12.407 1.00 1.00 C ATOM 896 CD1 ILE A 55 -8.728 -5.159 -14.450 1.00 1.00 C ATOM 0 H ILE A 55 -11.604 -6.473 -15.651 1.00 1.00 H new ATOM 0 HA ILE A 55 -12.925 -5.711 -13.211 1.00 1.00 H new ATOM 0 HB ILE A 55 -10.948 -3.905 -14.551 1.00 1.00 H new ATOM 0 HG12 ILE A 55 -9.771 -5.976 -12.783 1.00 1.00 H new ATOM 0 HG13 ILE A 55 -10.317 -6.573 -14.337 1.00 1.00 H new ATOM 0 HG21 ILE A 55 -10.287 -3.512 -12.169 1.00 1.00 H new ATOM 0 HG22 ILE A 55 -12.023 -3.217 -12.425 1.00 1.00 H new ATOM 0 HG23 ILE A 55 -11.482 -4.724 -11.649 1.00 1.00 H new ATOM 0 HD11 ILE A 55 -7.962 -5.934 -14.422 1.00 1.00 H new ATOM 0 HD12 ILE A 55 -8.931 -4.887 -15.486 1.00 1.00 H new ATOM 0 HD13 ILE A 55 -8.377 -4.282 -13.907 1.00 1.00 H new ATOM 908 N ALA A 56 -13.386 -4.137 -16.105 1.00 1.00 N ATOM 909 CA ALA A 56 -14.230 -3.181 -16.840 1.00 1.00 C ATOM 910 C ALA A 56 -15.777 -3.433 -16.708 1.00 1.00 C ATOM 911 O ALA A 56 -16.542 -2.505 -16.806 1.00 1.00 O ATOM 912 CB ALA A 56 -13.815 -3.162 -18.291 1.00 1.00 C ATOM 0 H ALA A 56 -12.747 -4.663 -16.701 1.00 1.00 H new ATOM 0 HA ALA A 56 -14.065 -2.208 -16.378 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -14.438 -2.455 -18.838 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -12.771 -2.860 -18.367 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -13.936 -4.158 -18.717 1.00 1.00 H new ATOM 918 N LYS A 57 -16.125 -4.743 -16.410 1.00 1.00 N ATOM 919 CA LYS A 57 -17.520 -5.196 -16.310 1.00 1.00 C ATOM 920 C LYS A 57 -18.093 -5.061 -14.839 1.00 1.00 C ATOM 921 O LYS A 57 -19.292 -4.780 -14.699 1.00 1.00 O ATOM 922 CB LYS A 57 -17.628 -6.554 -16.873 1.00 1.00 C ATOM 923 CG LYS A 57 -18.075 -6.552 -18.312 1.00 1.00 C ATOM 924 CD LYS A 57 -18.019 -7.947 -18.884 1.00 1.00 C ATOM 925 CE LYS A 57 -17.375 -7.962 -20.258 1.00 1.00 C ATOM 926 NZ LYS A 57 -18.391 -8.027 -21.345 1.00 1.00 N ATOM 0 H LYS A 57 -15.440 -5.479 -16.240 1.00 1.00 H new ATOM 0 HA LYS A 57 -18.158 -4.541 -16.904 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -16.661 -7.052 -16.798 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -18.333 -7.135 -16.278 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -19.091 -6.164 -18.383 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -17.438 -5.887 -18.896 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -17.457 -8.594 -18.211 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -19.028 -8.355 -18.950 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -16.765 -7.067 -20.383 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -16.704 -8.818 -20.336 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -17.912 -8.035 -22.268 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -18.956 -8.894 -21.240 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -19.015 -7.197 -21.287 1.00 1.00 H new ATOM 940 N ARG A 58 -17.193 -5.303 -13.907 1.00 1.00 N ATOM 941 CA ARG A 58 -17.458 -5.027 -12.432 1.00 1.00 C ATOM 942 C ARG A 58 -17.461 -3.482 -12.169 1.00 1.00 C ATOM 943 O ARG A 58 -18.092 -3.007 -11.235 1.00 1.00 O ATOM 944 CB ARG A 58 -16.470 -5.696 -11.560 1.00 1.00 C ATOM 945 CG ARG A 58 -16.942 -7.006 -11.044 1.00 1.00 C ATOM 946 CD ARG A 58 -15.785 -7.807 -10.649 1.00 1.00 C ATOM 947 NE ARG A 58 -16.164 -9.135 -10.200 1.00 1.00 N ATOM 948 CZ ARG A 58 -15.271 -10.115 -10.085 1.00 1.00 C ATOM 949 NH1 ARG A 58 -13.998 -9.839 -9.837 1.00 1.00 N ATOM 950 NH2 ARG A 58 -15.666 -11.350 -10.190 1.00 1.00 N ATOM 0 H ARG A 58 -16.268 -5.687 -14.100 1.00 1.00 H new ATOM 0 HA ARG A 58 -18.438 -5.437 -12.187 1.00 1.00 H new ATOM 0 HB2 ARG A 58 -15.544 -5.843 -12.116 1.00 1.00 H new ATOM 0 HB3 ARG A 58 -16.236 -5.044 -10.719 1.00 1.00 H new ATOM 0 HG2 ARG A 58 -17.606 -6.858 -10.192 1.00 1.00 H new ATOM 0 HG3 ARG A 58 -17.517 -7.527 -11.809 1.00 1.00 H new ATOM 0 HD2 ARG A 58 -15.100 -7.892 -11.492 1.00 1.00 H new ATOM 0 HD3 ARG A 58 -15.247 -7.296 -9.851 1.00 1.00 H new ATOM 0 HE ARG A 58 -17.139 -9.321 -9.967 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -13.697 -8.870 -9.733 1.00 1.00 H new ATOM 0 HH12 ARG A 58 -13.320 -10.596 -9.750 1.00 1.00 H new ATOM 0 HH21 ARG A 58 -16.650 -11.558 -10.359 1.00 1.00 H new ATOM 0 HH22 ARG A 58 -14.991 -12.110 -10.104 1.00 1.00 H new ATOM 964 N GLU A 59 -16.785 -2.744 -13.127 1.00 1.00 N ATOM 965 CA GLU A 59 -16.687 -1.287 -13.100 1.00 1.00 C ATOM 966 C GLU A 59 -17.612 -0.597 -14.112 1.00 1.00 C ATOM 967 O GLU A 59 -17.577 0.657 -14.256 1.00 1.00 O ATOM 968 CB GLU A 59 -15.255 -0.865 -13.292 1.00 1.00 C ATOM 969 CG GLU A 59 -14.507 -0.615 -12.000 1.00 1.00 C ATOM 970 CD GLU A 59 -13.113 -0.085 -12.257 1.00 1.00 C ATOM 971 OE1 GLU A 59 -12.178 -0.903 -12.389 1.00 1.00 O ATOM 972 OE2 GLU A 59 -12.951 1.154 -12.331 1.00 1.00 O ATOM 0 H GLU A 59 -16.307 -3.170 -13.921 1.00 1.00 H new ATOM 0 HA GLU A 59 -17.030 -0.961 -12.118 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -14.733 -1.636 -13.858 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -15.232 0.043 -13.894 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -15.061 0.098 -11.390 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -14.445 -1.542 -11.430 1.00 1.00 H new ATOM 979 N GLY A 60 -18.561 -1.406 -14.675 1.00 1.00 N ATOM 980 CA GLY A 60 -19.530 -0.883 -15.678 1.00 1.00 C ATOM 981 C GLY A 60 -18.980 -0.577 -17.058 1.00 1.00 C ATOM 982 O GLY A 60 -19.429 -1.208 -18.005 1.00 1.00 O ATOM 0 H GLY A 60 -18.671 -2.396 -14.456 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -20.335 -1.610 -15.786 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -19.975 0.028 -15.279 1.00 1.00 H new ATOM 986 N MET A 61 -17.965 0.391 -17.051 1.00 1.00 N ATOM 987 CA MET A 61 -17.278 0.824 -18.319 1.00 1.00 C ATOM 988 C MET A 61 -17.063 -0.390 -19.281 1.00 1.00 C ATOM 989 O MET A 61 -16.500 -1.418 -18.912 1.00 1.00 O ATOM 990 CB MET A 61 -15.963 1.484 -18.059 1.00 1.00 C ATOM 991 CG MET A 61 -16.066 2.968 -17.787 1.00 1.00 C ATOM 992 SD MET A 61 -14.492 3.814 -18.002 1.00 1.00 S ATOM 993 CE MET A 61 -13.863 3.832 -16.321 1.00 1.00 C ATOM 0 H MET A 61 -17.629 0.858 -16.209 1.00 1.00 H new ATOM 0 HA MET A 61 -17.937 1.554 -18.789 1.00 1.00 H new ATOM 0 HB2 MET A 61 -15.487 1.000 -17.206 1.00 1.00 H new ATOM 0 HB3 MET A 61 -15.312 1.326 -18.919 1.00 1.00 H new ATOM 0 HG2 MET A 61 -16.806 3.407 -18.456 1.00 1.00 H new ATOM 0 HG3 MET A 61 -16.424 3.124 -16.769 1.00 1.00 H new ATOM 0 HE1 MET A 61 -12.892 4.326 -16.301 1.00 1.00 H new ATOM 0 HE2 MET A 61 -14.558 4.372 -15.678 1.00 1.00 H new ATOM 0 HE3 MET A 61 -13.757 2.809 -15.961 1.00 1.00 H new ATOM 1003 N VAL A 62 -17.716 -0.318 -20.410 1.00 1.00 N ATOM 1004 CA VAL A 62 -17.784 -1.434 -21.365 1.00 1.00 C ATOM 1005 C VAL A 62 -16.746 -1.330 -22.465 1.00 1.00 C ATOM 1006 O VAL A 62 -16.498 -0.210 -22.964 1.00 1.00 O ATOM 1007 CB VAL A 62 -19.223 -1.570 -22.004 1.00 1.00 C ATOM 1008 CG1 VAL A 62 -20.071 -2.560 -21.203 1.00 1.00 C ATOM 1009 CG2 VAL A 62 -19.949 -0.211 -22.115 1.00 1.00 C ATOM 0 H VAL A 62 -18.224 0.513 -20.711 1.00 1.00 H new ATOM 0 HA VAL A 62 -17.567 -2.330 -20.784 1.00 1.00 H new ATOM 0 HB VAL A 62 -19.088 -1.947 -23.018 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -21.059 -2.642 -21.656 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -19.588 -3.537 -21.205 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -20.171 -2.207 -20.177 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -20.933 -0.359 -22.560 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -20.062 0.223 -21.122 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -19.365 0.463 -22.742 1.00 1.00 H new ATOM 1019 N LEU A 63 -16.164 -2.492 -22.804 1.00 1.00 N ATOM 1020 CA LEU A 63 -15.214 -2.570 -23.895 1.00 1.00 C ATOM 1021 C LEU A 63 -15.836 -2.970 -25.184 1.00 1.00 C ATOM 1022 O LEU A 63 -16.557 -3.988 -25.219 1.00 1.00 O ATOM 1023 CB LEU A 63 -14.041 -3.508 -23.522 1.00 1.00 C ATOM 1024 CG LEU A 63 -12.704 -2.857 -23.022 1.00 1.00 C ATOM 1025 CD1 LEU A 63 -12.064 -1.996 -24.121 1.00 1.00 C ATOM 1026 CD2 LEU A 63 -12.932 -2.048 -21.746 1.00 1.00 C ATOM 0 H LEU A 63 -16.342 -3.379 -22.333 1.00 1.00 H new ATOM 0 HA LEU A 63 -14.826 -1.563 -24.050 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -14.392 -4.188 -22.745 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -13.809 -4.116 -24.397 1.00 1.00 H new ATOM 0 HG LEU A 63 -12.008 -3.661 -22.785 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -11.139 -1.557 -23.747 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -11.846 -2.618 -24.989 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -12.753 -1.201 -24.408 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -11.989 -1.608 -21.421 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -13.654 -1.255 -21.942 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -13.315 -2.703 -20.964 1.00 1.00 H new ATOM 1038 N LEU A 64 -15.644 -2.108 -26.225 1.00 1.00 N ATOM 1039 CA LEU A 64 -16.224 -2.365 -27.555 1.00 1.00 C ATOM 1040 C LEU A 64 -15.138 -2.669 -28.565 1.00 1.00 C ATOM 1041 O LEU A 64 -14.122 -1.927 -28.655 1.00 1.00 O ATOM 1042 CB LEU A 64 -17.085 -1.199 -28.022 1.00 1.00 C ATOM 1043 CG LEU A 64 -18.514 -1.174 -27.480 1.00 1.00 C ATOM 1044 CD1 LEU A 64 -18.748 0.091 -26.672 1.00 1.00 C ATOM 1045 CD2 LEU A 64 -19.506 -1.279 -28.623 1.00 1.00 C ATOM 0 H LEU A 64 -15.100 -1.247 -26.160 1.00 1.00 H new ATOM 0 HA LEU A 64 -16.869 -3.239 -27.471 1.00 1.00 H new ATOM 0 HB2 LEU A 64 -16.591 -0.270 -27.738 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -17.129 -1.216 -29.111 1.00 1.00 H new ATOM 0 HG LEU A 64 -18.659 -2.029 -26.820 1.00 1.00 H new ATOM 0 HD11 LEU A 64 -19.770 0.096 -26.292 1.00 1.00 H new ATOM 0 HD12 LEU A 64 -18.049 0.123 -25.836 1.00 1.00 H new ATOM 0 HD13 LEU A 64 -18.593 0.963 -27.308 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -20.521 -1.260 -28.227 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -19.367 -0.439 -29.304 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -19.344 -2.213 -29.161 1.00 1.00 H new ATOM 1057 N ILE A 65 -15.352 -3.764 -29.312 1.00 1.00 N ATOM 1058 CA ILE A 65 -14.376 -4.233 -30.316 1.00 1.00 C ATOM 1059 C ILE A 65 -14.988 -4.079 -31.708 1.00 1.00 C ATOM 1060 O ILE A 65 -16.130 -4.529 -31.938 1.00 1.00 O ATOM 1061 CB ILE A 65 -13.899 -5.723 -30.051 1.00 1.00 C ATOM 1062 CG1 ILE A 65 -13.795 -6.022 -28.537 1.00 1.00 C ATOM 1063 CG2 ILE A 65 -12.536 -5.985 -30.716 1.00 1.00 C ATOM 1064 CD1 ILE A 65 -14.792 -7.042 -28.050 1.00 1.00 C ATOM 0 H ILE A 65 -16.190 -4.342 -29.242 1.00 1.00 H new ATOM 0 HA ILE A 65 -13.479 -3.619 -30.241 1.00 1.00 H new ATOM 0 HB ILE A 65 -14.648 -6.384 -30.487 1.00 1.00 H new ATOM 0 HG12 ILE A 65 -12.788 -6.376 -28.314 1.00 1.00 H new ATOM 0 HG13 ILE A 65 -13.937 -5.095 -27.982 1.00 1.00 H new ATOM 0 HG21 ILE A 65 -12.228 -7.012 -30.522 1.00 1.00 H new ATOM 0 HG22 ILE A 65 -12.620 -5.828 -31.791 1.00 1.00 H new ATOM 0 HG23 ILE A 65 -11.794 -5.300 -30.306 1.00 1.00 H new ATOM 0 HD11 ILE A 65 -14.658 -7.199 -26.980 1.00 1.00 H new ATOM 0 HD12 ILE A 65 -15.803 -6.682 -28.240 1.00 1.00 H new ATOM 0 HD13 ILE A 65 -14.637 -7.983 -28.577 1.00 1.00 H new ATOM 1076 N LYS A 66 -14.171 -3.461 -32.626 1.00 1.00 N ATOM 1077 CA LYS A 66 -14.555 -3.265 -34.001 1.00 1.00 C ATOM 1078 C LYS A 66 -14.258 -4.538 -34.815 1.00 1.00 C ATOM 1079 O LYS A 66 -13.176 -5.164 -34.651 1.00 1.00 O ATOM 1080 CB LYS A 66 -13.922 -2.075 -34.628 1.00 1.00 C ATOM 1081 CG LYS A 66 -14.893 -0.948 -34.832 1.00 1.00 C ATOM 1082 CD LYS A 66 -14.193 0.227 -35.461 1.00 1.00 C ATOM 1083 CE LYS A 66 -15.123 0.987 -36.380 1.00 1.00 C ATOM 1084 NZ LYS A 66 -15.116 2.444 -36.086 1.00 1.00 N ATOM 0 H LYS A 66 -13.244 -3.101 -32.400 1.00 1.00 H new ATOM 0 HA LYS A 66 -15.627 -3.069 -34.006 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -13.099 -1.732 -34.001 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -13.493 -2.359 -35.589 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -15.715 -1.276 -35.469 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -15.328 -0.654 -33.877 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -13.822 0.893 -34.682 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -13.326 -0.120 -36.022 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -14.825 0.823 -37.416 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -16.136 0.599 -36.274 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -15.765 2.932 -36.736 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -15.424 2.602 -35.105 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -14.154 2.819 -36.211 1.00 1.00 H new ATOM 1098 N PRO A 67 -15.248 -5.002 -35.704 1.00 1.00 N ATOM 1099 CA PRO A 67 -15.075 -6.233 -36.503 1.00 1.00 C ATOM 1100 C PRO A 67 -14.000 -6.216 -37.607 1.00 1.00 C ATOM 1101 O PRO A 67 -13.966 -5.351 -38.536 1.00 1.00 O ATOM 1102 CB PRO A 67 -16.446 -6.467 -37.088 1.00 1.00 C ATOM 1103 CG PRO A 67 -17.365 -5.646 -36.253 1.00 1.00 C ATOM 1104 CD PRO A 67 -16.597 -4.425 -36.003 1.00 1.00 C ATOM 0 HA PRO A 67 -14.698 -7.025 -35.856 1.00 1.00 H new ATOM 0 HB2 PRO A 67 -16.486 -6.164 -38.134 1.00 1.00 H new ATOM 0 HB3 PRO A 67 -16.716 -7.522 -37.052 1.00 1.00 H new ATOM 0 HG2 PRO A 67 -18.299 -5.434 -36.773 1.00 1.00 H new ATOM 0 HG3 PRO A 67 -17.626 -6.154 -35.324 1.00 1.00 H new ATOM 0 HD2 PRO A 67 -16.581 -3.762 -36.868 1.00 1.00 H new ATOM 0 HD3 PRO A 67 -16.995 -3.849 -35.167 1.00 1.00 H new ATOM 1112 N ALA A 68 -13.042 -7.166 -37.365 1.00 1.00 N ATOM 1113 CA ALA A 68 -11.922 -7.422 -38.302 1.00 1.00 C ATOM 1114 C ALA A 68 -12.488 -7.908 -39.639 1.00 1.00 C ATOM 1115 O ALA A 68 -13.487 -8.694 -39.669 1.00 1.00 O ATOM 1116 CB ALA A 68 -10.951 -8.396 -37.738 1.00 1.00 C ATOM 0 H ALA A 68 -13.032 -7.757 -36.534 1.00 1.00 H new ATOM 0 HA ALA A 68 -11.374 -6.493 -38.462 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -10.144 -8.560 -38.452 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -10.539 -8.003 -36.808 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -11.457 -9.341 -37.540 1.00 1.00 H new ATOM 1122 N GLN A 69 -11.862 -7.454 -40.728 1.00 1.00 N ATOM 1123 CA GLN A 69 -12.372 -7.686 -42.058 1.00 1.00 C ATOM 1124 C GLN A 69 -11.272 -8.092 -43.024 1.00 1.00 C ATOM 1125 O GLN A 69 -10.105 -7.729 -42.848 1.00 1.00 O ATOM 1126 CB GLN A 69 -13.102 -6.373 -42.543 1.00 1.00 C ATOM 1127 CG GLN A 69 -14.374 -6.644 -43.341 1.00 1.00 C ATOM 1128 CD GLN A 69 -15.145 -5.401 -43.702 1.00 1.00 C ATOM 1129 OE1 GLN A 69 -15.930 -4.906 -42.902 1.00 1.00 O ATOM 1130 NE2 GLN A 69 -14.991 -4.928 -44.926 1.00 1.00 N ATOM 0 H GLN A 69 -10.994 -6.920 -40.701 1.00 1.00 H new ATOM 0 HA GLN A 69 -13.077 -8.517 -42.033 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -13.350 -5.763 -41.675 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -12.415 -5.790 -43.156 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -14.111 -7.175 -44.256 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -15.020 -7.305 -42.763 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -14.327 -5.368 -45.563 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -15.536 -4.123 -45.234 1.00 1.00 H new ATOM 1139 N CYS A 70 -11.684 -8.930 -44.036 1.00 1.00 N ATOM 1140 CA CYS A 70 -10.809 -9.320 -45.162 1.00 1.00 C ATOM 1141 C CYS A 70 -11.041 -8.279 -46.271 1.00 1.00 C ATOM 1142 O CYS A 70 -12.196 -8.106 -46.764 1.00 1.00 O ATOM 1143 CB CYS A 70 -11.074 -10.732 -45.643 1.00 1.00 C ATOM 1144 SG CYS A 70 -9.703 -11.419 -46.569 1.00 1.00 S ATOM 0 H CYS A 70 -12.618 -9.339 -44.079 1.00 1.00 H new ATOM 0 HA CYS A 70 -9.765 -9.330 -44.847 1.00 1.00 H new ATOM 0 HB2 CYS A 70 -11.283 -11.370 -44.784 1.00 1.00 H new ATOM 0 HB3 CYS A 70 -11.967 -10.736 -46.268 1.00 1.00 H new ATOM 0 HG CYS A 70 -8.672 -10.634 -46.464 1.00 1.00 H new ATOM 1150 N ARG A 71 -9.944 -7.583 -46.649 1.00 1.00 N ATOM 1151 CA ARG A 71 -9.997 -6.493 -47.641 1.00 1.00 C ATOM 1152 C ARG A 71 -9.763 -6.943 -49.095 1.00 1.00 C ATOM 1153 O ARG A 71 -9.852 -6.110 -50.035 1.00 1.00 O ATOM 1154 CB ARG A 71 -9.030 -5.402 -47.262 1.00 1.00 C ATOM 1155 CG ARG A 71 -9.649 -4.311 -46.429 1.00 1.00 C ATOM 1156 CD ARG A 71 -8.744 -3.142 -46.391 1.00 1.00 C ATOM 1157 NE ARG A 71 -9.368 -1.990 -45.736 1.00 1.00 N ATOM 1158 CZ ARG A 71 -9.086 -0.734 -46.098 1.00 1.00 C ATOM 1159 NH1 ARG A 71 -7.896 -0.446 -46.600 1.00 1.00 N ATOM 1160 NH2 ARG A 71 -9.950 0.219 -45.883 1.00 1.00 N ATOM 0 H ARG A 71 -9.010 -7.761 -46.279 1.00 1.00 H new ATOM 0 HA ARG A 71 -11.019 -6.115 -47.616 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -8.198 -5.841 -46.711 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -8.615 -4.964 -48.170 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -10.614 -4.023 -46.847 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -9.835 -4.673 -45.418 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -7.829 -3.408 -45.863 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -8.458 -2.871 -47.407 1.00 1.00 H new ATOM 0 HE ARG A 71 -10.037 -2.150 -44.982 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -7.197 -1.181 -46.710 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -7.677 0.511 -46.877 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -10.843 0.007 -45.438 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -9.733 1.176 -46.160 1.00 1.00 H new ATOM 1174 N LYS A 72 -9.549 -8.275 -49.285 1.00 1.00 N ATOM 1175 CA LYS A 72 -9.293 -8.871 -50.595 1.00 1.00 C ATOM 1176 C LYS A 72 -10.528 -9.524 -51.209 1.00 1.00 C ATOM 1177 O LYS A 72 -10.913 -9.169 -52.341 1.00 1.00 O ATOM 1178 CB LYS A 72 -8.170 -9.890 -50.497 1.00 1.00 C ATOM 1179 CG LYS A 72 -6.940 -9.504 -51.264 1.00 1.00 C ATOM 1180 CD LYS A 72 -5.838 -10.518 -51.059 1.00 1.00 C ATOM 1181 CE LYS A 72 -4.581 -10.120 -51.807 1.00 1.00 C ATOM 1182 NZ LYS A 72 -3.513 -11.146 -51.677 1.00 1.00 N ATOM 0 H LYS A 72 -9.552 -8.953 -48.523 1.00 1.00 H new ATOM 0 HA LYS A 72 -9.003 -8.054 -51.255 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -7.906 -10.027 -49.448 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -8.530 -10.851 -50.864 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -7.177 -9.428 -52.325 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -6.599 -8.520 -50.942 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -5.618 -10.610 -49.995 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -6.173 -11.497 -51.401 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -4.817 -9.972 -52.861 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -4.217 -9.166 -51.425 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -2.670 -10.838 -52.202 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -3.270 -11.269 -50.673 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -3.851 -12.050 -52.065 1.00 1.00 H new ATOM 1196 N CYS A 73 -11.222 -10.380 -50.381 1.00 1.00 N ATOM 1197 CA CYS A 73 -12.429 -11.071 -50.821 1.00 1.00 C ATOM 1198 C CYS A 73 -13.709 -10.350 -50.418 1.00 1.00 C ATOM 1199 O CYS A 73 -14.763 -10.541 -51.062 1.00 1.00 O ATOM 1200 CB CYS A 73 -12.431 -12.495 -50.268 1.00 1.00 C ATOM 1201 SG CYS A 73 -10.972 -13.483 -50.671 1.00 1.00 S ATOM 0 H CYS A 73 -10.947 -10.587 -49.421 1.00 1.00 H new ATOM 0 HA CYS A 73 -12.412 -11.088 -51.911 1.00 1.00 H new ATOM 0 HB2 CYS A 73 -12.528 -12.446 -49.183 1.00 1.00 H new ATOM 0 HB3 CYS A 73 -13.314 -13.012 -50.644 1.00 1.00 H new ATOM 0 HG CYS A 73 -11.091 -14.666 -50.146 1.00 1.00 H new ATOM 1207 N GLY A 74 -13.581 -9.474 -49.360 1.00 1.00 N ATOM 1208 CA GLY A 74 -14.717 -8.731 -48.840 1.00 1.00 C ATOM 1209 C GLY A 74 -15.324 -9.344 -47.626 1.00 1.00 C ATOM 1210 O GLY A 74 -16.074 -8.660 -46.913 1.00 1.00 O ATOM 0 H GLY A 74 -12.701 -9.289 -48.878 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -14.399 -7.715 -48.604 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -15.477 -8.655 -49.617 1.00 1.00 H new ATOM 1214 N PHE A 75 -15.002 -10.691 -47.402 1.00 1.00 N ATOM 1215 CA PHE A 75 -15.482 -11.452 -46.246 1.00 1.00 C ATOM 1216 C PHE A 75 -15.183 -10.758 -44.893 1.00 1.00 C ATOM 1217 O PHE A 75 -14.067 -10.265 -44.688 1.00 1.00 O ATOM 1218 CB PHE A 75 -14.870 -12.868 -46.228 1.00 1.00 C ATOM 1219 CG PHE A 75 -15.691 -13.903 -45.449 1.00 1.00 C ATOM 1220 CD1 PHE A 75 -16.799 -14.497 -46.020 1.00 1.00 C ATOM 1221 CD2 PHE A 75 -15.341 -14.214 -44.139 1.00 1.00 C ATOM 1222 CE1 PHE A 75 -17.546 -15.384 -45.316 1.00 1.00 C ATOM 1223 CE2 PHE A 75 -16.087 -15.108 -43.425 1.00 1.00 C ATOM 1224 CZ PHE A 75 -17.194 -15.698 -44.016 1.00 1.00 C ATOM 0 H PHE A 75 -14.410 -11.234 -48.031 1.00 1.00 H new ATOM 0 HA PHE A 75 -16.565 -11.510 -46.359 1.00 1.00 H new ATOM 0 HB2 PHE A 75 -14.753 -13.213 -47.255 1.00 1.00 H new ATOM 0 HB3 PHE A 75 -13.871 -12.814 -45.795 1.00 1.00 H new ATOM 0 HD1 PHE A 75 -17.073 -14.253 -47.036 1.00 1.00 H new ATOM 0 HD2 PHE A 75 -14.478 -13.748 -43.686 1.00 1.00 H new ATOM 0 HE1 PHE A 75 -18.412 -15.843 -45.769 1.00 1.00 H new ATOM 0 HE2 PHE A 75 -15.817 -15.353 -42.409 1.00 1.00 H new ATOM 0 HZ PHE A 75 -17.786 -16.408 -43.457 1.00 1.00 H new ATOM 1234 N VAL A 76 -16.228 -10.691 -44.067 1.00 1.00 N ATOM 1235 CA VAL A 76 -16.147 -10.009 -42.788 1.00 1.00 C ATOM 1236 C VAL A 76 -16.089 -11.029 -41.677 1.00 1.00 C ATOM 1237 O VAL A 76 -16.892 -11.986 -41.642 1.00 1.00 O ATOM 1238 CB VAL A 76 -17.330 -9.001 -42.545 1.00 1.00 C ATOM 1239 CG1 VAL A 76 -17.036 -8.070 -41.358 1.00 1.00 C ATOM 1240 CG2 VAL A 76 -17.636 -8.181 -43.797 1.00 1.00 C ATOM 0 H VAL A 76 -17.139 -11.104 -44.267 1.00 1.00 H new ATOM 0 HA VAL A 76 -15.236 -9.411 -42.799 1.00 1.00 H new ATOM 0 HB VAL A 76 -18.211 -9.596 -42.306 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -17.873 -7.386 -41.216 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -16.897 -8.665 -40.455 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -16.130 -7.499 -41.560 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -18.458 -7.496 -43.591 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -16.752 -7.611 -44.084 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -17.916 -8.850 -44.611 1.00 1.00 H new ATOM 1250 N PHE A 77 -15.091 -10.822 -40.794 1.00 1.00 N ATOM 1251 CA PHE A 77 -14.932 -11.668 -39.623 1.00 1.00 C ATOM 1252 C PHE A 77 -15.545 -11.029 -38.392 1.00 1.00 C ATOM 1253 O PHE A 77 -15.548 -9.784 -38.273 1.00 1.00 O ATOM 1254 CB PHE A 77 -13.444 -12.000 -39.381 1.00 1.00 C ATOM 1255 CG PHE A 77 -12.906 -13.130 -40.241 1.00 1.00 C ATOM 1256 CD1 PHE A 77 -13.167 -14.463 -39.910 1.00 1.00 C ATOM 1257 CD2 PHE A 77 -12.160 -12.849 -41.369 1.00 1.00 C ATOM 1258 CE1 PHE A 77 -12.696 -15.475 -40.687 1.00 1.00 C ATOM 1259 CE2 PHE A 77 -11.681 -13.867 -42.152 1.00 1.00 C ATOM 1260 CZ PHE A 77 -11.949 -15.181 -41.812 1.00 1.00 C ATOM 0 H PHE A 77 -14.396 -10.080 -40.879 1.00 1.00 H new ATOM 0 HA PHE A 77 -15.464 -12.600 -39.815 1.00 1.00 H new ATOM 0 HB2 PHE A 77 -12.850 -11.105 -39.565 1.00 1.00 H new ATOM 0 HB3 PHE A 77 -13.309 -12.262 -38.332 1.00 1.00 H new ATOM 0 HD1 PHE A 77 -13.748 -14.691 -39.029 1.00 1.00 H new ATOM 0 HD2 PHE A 77 -11.953 -11.823 -41.635 1.00 1.00 H new ATOM 0 HE1 PHE A 77 -12.904 -16.502 -40.426 1.00 1.00 H new ATOM 0 HE2 PHE A 77 -11.096 -13.644 -43.032 1.00 1.00 H new ATOM 0 HZ PHE A 77 -11.572 -15.982 -42.430 1.00 1.00 H new ATOM 1270 N LYS A 78 -16.069 -11.897 -37.484 1.00 1.00 N ATOM 1271 CA LYS A 78 -16.681 -11.434 -36.212 1.00 1.00 C ATOM 1272 C LYS A 78 -15.597 -10.892 -35.253 1.00 1.00 C ATOM 1273 O LYS A 78 -14.409 -11.318 -35.357 1.00 1.00 O ATOM 1274 CB LYS A 78 -17.479 -12.551 -35.572 1.00 1.00 C ATOM 1275 CG LYS A 78 -18.951 -12.220 -35.440 1.00 1.00 C ATOM 1276 CD LYS A 78 -19.809 -13.286 -36.091 1.00 1.00 C ATOM 1277 CE LYS A 78 -21.275 -12.890 -36.106 1.00 1.00 C ATOM 1278 NZ LYS A 78 -22.112 -13.895 -36.821 1.00 1.00 N ATOM 0 H LYS A 78 -16.079 -12.909 -37.609 1.00 1.00 H new ATOM 0 HA LYS A 78 -17.368 -10.616 -36.431 1.00 1.00 H new ATOM 0 HB2 LYS A 78 -17.367 -13.458 -36.166 1.00 1.00 H new ATOM 0 HB3 LYS A 78 -17.069 -12.764 -34.585 1.00 1.00 H new ATOM 0 HG2 LYS A 78 -19.214 -12.130 -34.386 1.00 1.00 H new ATOM 0 HG3 LYS A 78 -19.153 -11.254 -35.902 1.00 1.00 H new ATOM 0 HD2 LYS A 78 -19.467 -13.456 -37.112 1.00 1.00 H new ATOM 0 HD3 LYS A 78 -19.691 -14.227 -35.554 1.00 1.00 H new ATOM 0 HE2 LYS A 78 -21.633 -12.781 -35.082 1.00 1.00 H new ATOM 0 HE3 LYS A 78 -21.384 -11.918 -36.587 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 -23.106 -13.590 -36.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 -21.787 -13.981 -37.805 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 -22.028 -14.817 -36.347 1.00 1.00 H new ATOM 1292 N ALA A 79 -16.005 -9.956 -34.342 1.00 1.00 N ATOM 1293 CA ALA A 79 -15.090 -9.319 -33.366 1.00 1.00 C ATOM 1294 C ALA A 79 -14.612 -10.332 -32.300 1.00 1.00 C ATOM 1295 O ALA A 79 -15.426 -10.971 -31.595 1.00 1.00 O ATOM 1296 CB ALA A 79 -15.748 -8.151 -32.720 1.00 1.00 C ATOM 0 H ALA A 79 -16.969 -9.631 -34.271 1.00 1.00 H new ATOM 0 HA ALA A 79 -14.213 -8.968 -33.909 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -15.062 -7.695 -32.006 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -16.019 -7.419 -33.481 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -16.646 -8.482 -32.199 1.00 1.00 H new ATOM 1302 N GLU A 80 -13.302 -10.545 -32.317 1.00 1.00 N ATOM 1303 CA GLU A 80 -12.625 -11.544 -31.467 1.00 1.00 C ATOM 1304 C GLU A 80 -11.537 -10.875 -30.614 1.00 1.00 C ATOM 1305 O GLU A 80 -11.324 -9.656 -30.701 1.00 1.00 O ATOM 1306 CB GLU A 80 -12.043 -12.718 -32.351 1.00 1.00 C ATOM 1307 CG GLU A 80 -11.510 -12.276 -33.723 1.00 1.00 C ATOM 1308 CD GLU A 80 -10.813 -13.350 -34.450 1.00 1.00 C ATOM 1309 OE1 GLU A 80 -9.596 -13.491 -34.245 1.00 1.00 O ATOM 1310 OE2 GLU A 80 -11.489 -14.054 -35.212 1.00 1.00 O ATOM 0 H GLU A 80 -12.664 -10.029 -32.924 1.00 1.00 H new ATOM 0 HA GLU A 80 -13.354 -11.980 -30.783 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -11.237 -13.205 -31.802 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.823 -13.464 -32.501 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -12.341 -11.916 -34.329 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -10.828 -11.437 -33.587 1.00 1.00 H new ATOM 1317 N ILE A 81 -10.959 -11.675 -29.742 1.00 1.00 N ATOM 1318 CA ILE A 81 -9.871 -11.245 -28.857 1.00 1.00 C ATOM 1319 C ILE A 81 -8.480 -11.769 -29.345 1.00 1.00 C ATOM 1320 O ILE A 81 -7.658 -12.272 -28.532 1.00 1.00 O ATOM 1321 CB ILE A 81 -10.103 -11.723 -27.390 1.00 1.00 C ATOM 1322 CG1 ILE A 81 -10.753 -13.144 -27.342 1.00 1.00 C ATOM 1323 CG2 ILE A 81 -10.917 -10.703 -26.647 1.00 1.00 C ATOM 1324 CD1 ILE A 81 -9.879 -14.190 -26.729 1.00 1.00 C ATOM 0 H ILE A 81 -11.226 -12.652 -29.619 1.00 1.00 H new ATOM 0 HA ILE A 81 -9.870 -10.155 -28.886 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.136 -11.815 -26.895 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -11.685 -13.088 -26.779 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -11.011 -13.449 -28.356 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -11.077 -11.041 -25.623 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -10.386 -9.751 -26.637 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -11.880 -10.576 -27.141 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -10.400 -15.147 -26.732 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -8.957 -14.277 -27.304 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -9.641 -13.910 -25.703 1.00 1.00 H new ATOM 1336 N ASN A 82 -8.195 -11.626 -30.681 1.00 1.00 N ATOM 1337 CA ASN A 82 -6.941 -12.185 -31.287 1.00 1.00 C ATOM 1338 C ASN A 82 -6.743 -11.677 -32.708 1.00 1.00 C ATOM 1339 O ASN A 82 -7.641 -11.015 -33.278 1.00 1.00 O ATOM 1340 CB ASN A 82 -7.024 -13.760 -31.275 1.00 1.00 C ATOM 1341 CG ASN A 82 -5.877 -14.390 -30.533 1.00 1.00 C ATOM 1342 OD1 ASN A 82 -4.789 -14.525 -31.070 1.00 1.00 O ATOM 1343 ND2 ASN A 82 -6.109 -14.730 -29.269 1.00 1.00 N ATOM 0 H ASN A 82 -8.801 -11.141 -31.342 1.00 1.00 H new ATOM 0 HA ASN A 82 -6.085 -11.855 -30.698 1.00 1.00 H new ATOM 0 HB2 ASN A 82 -7.963 -14.068 -30.815 1.00 1.00 H new ATOM 0 HB3 ASN A 82 -7.035 -14.128 -32.301 1.00 1.00 H new ATOM 0 HD21 ASN A 82 -5.359 -15.124 -28.701 1.00 1.00 H new ATOM 0 HD22 ASN A 82 -7.037 -14.597 -28.867 1.00 1.00 H new ATOM 1350 N ILE A 83 -5.553 -11.973 -33.255 1.00 1.00 N ATOM 1351 CA ILE A 83 -5.196 -11.658 -34.599 1.00 1.00 C ATOM 1352 C ILE A 83 -4.887 -13.005 -35.362 1.00 1.00 C ATOM 1353 O ILE A 83 -3.948 -13.718 -34.968 1.00 1.00 O ATOM 1354 CB ILE A 83 -3.992 -10.611 -34.721 1.00 1.00 C ATOM 1355 CG1 ILE A 83 -3.541 -10.496 -36.200 1.00 1.00 C ATOM 1356 CG2 ILE A 83 -2.828 -11.038 -33.807 1.00 1.00 C ATOM 1357 CD1 ILE A 83 -3.813 -9.179 -36.805 1.00 1.00 C ATOM 0 H ILE A 83 -4.812 -12.450 -32.741 1.00 1.00 H new ATOM 0 HA ILE A 83 -6.041 -11.149 -35.063 1.00 1.00 H new ATOM 0 HB ILE A 83 -4.330 -9.627 -34.395 1.00 1.00 H new ATOM 0 HG12 ILE A 83 -2.472 -10.699 -36.261 1.00 1.00 H new ATOM 0 HG13 ILE A 83 -4.046 -11.265 -36.785 1.00 1.00 H new ATOM 0 HG21 ILE A 83 -2.013 -10.320 -33.896 1.00 1.00 H new ATOM 0 HG22 ILE A 83 -3.171 -11.071 -32.773 1.00 1.00 H new ATOM 0 HG23 ILE A 83 -2.475 -12.026 -34.104 1.00 1.00 H new ATOM 0 HD11 ILE A 83 -3.470 -9.176 -37.840 1.00 1.00 H new ATOM 0 HD12 ILE A 83 -4.884 -8.980 -36.778 1.00 1.00 H new ATOM 0 HD13 ILE A 83 -3.286 -8.406 -36.246 1.00 1.00 H new ATOM 1369 N PRO A 84 -5.559 -13.258 -36.551 1.00 1.00 N ATOM 1370 CA PRO A 84 -5.198 -14.403 -37.411 1.00 1.00 C ATOM 1371 C PRO A 84 -3.923 -14.210 -38.291 1.00 1.00 C ATOM 1372 O PRO A 84 -3.630 -13.071 -38.745 1.00 1.00 O ATOM 1373 CB PRO A 84 -6.443 -14.578 -38.253 1.00 1.00 C ATOM 1374 CG PRO A 84 -7.512 -13.781 -37.571 1.00 1.00 C ATOM 1375 CD PRO A 84 -6.799 -12.598 -37.088 1.00 1.00 C ATOM 0 HA PRO A 84 -4.920 -15.272 -36.814 1.00 1.00 H new ATOM 0 HB2 PRO A 84 -6.280 -14.223 -39.271 1.00 1.00 H new ATOM 0 HB3 PRO A 84 -6.723 -15.629 -38.323 1.00 1.00 H new ATOM 0 HG2 PRO A 84 -8.314 -13.513 -38.259 1.00 1.00 H new ATOM 0 HG3 PRO A 84 -7.967 -14.338 -36.752 1.00 1.00 H new ATOM 0 HD2 PRO A 84 -6.583 -11.885 -37.884 1.00 1.00 H new ATOM 0 HD3 PRO A 84 -7.353 -12.059 -36.319 1.00 1.00 H new ATOM 1383 N SER A 85 -3.211 -15.333 -38.482 1.00 1.00 N ATOM 1384 CA SER A 85 -2.020 -15.388 -39.346 1.00 1.00 C ATOM 1385 C SER A 85 -2.377 -15.911 -40.744 1.00 1.00 C ATOM 1386 O SER A 85 -1.688 -15.590 -41.734 1.00 1.00 O ATOM 1387 CB SER A 85 -0.920 -16.219 -38.723 1.00 1.00 C ATOM 1388 OG SER A 85 -0.391 -15.571 -37.590 1.00 1.00 O ATOM 0 H SER A 85 -3.443 -16.224 -38.044 1.00 1.00 H new ATOM 0 HA SER A 85 -1.645 -14.370 -39.451 1.00 1.00 H new ATOM 0 HB2 SER A 85 -1.311 -17.196 -38.440 1.00 1.00 H new ATOM 0 HB3 SER A 85 -0.129 -16.391 -39.453 1.00 1.00 H new ATOM 0 HG SER A 85 0.318 -16.123 -37.199 1.00 1.00 H new ATOM 1394 N ARG A 86 -3.482 -16.736 -40.813 1.00 1.00 N ATOM 1395 CA ARG A 86 -3.988 -17.313 -42.059 1.00 1.00 C ATOM 1396 C ARG A 86 -5.476 -17.438 -42.002 1.00 1.00 C ATOM 1397 O ARG A 86 -6.049 -17.810 -40.934 1.00 1.00 O ATOM 1398 CB ARG A 86 -3.318 -18.677 -42.357 1.00 1.00 C ATOM 1399 CG ARG A 86 -2.070 -18.537 -43.208 1.00 1.00 C ATOM 1400 CD ARG A 86 -1.398 -19.847 -43.344 1.00 1.00 C ATOM 1401 NE ARG A 86 -0.198 -19.791 -44.186 1.00 1.00 N ATOM 1402 CZ ARG A 86 0.688 -20.805 -44.272 1.00 1.00 C ATOM 1403 NH1 ARG A 86 0.336 -22.031 -43.919 1.00 1.00 N ATOM 1404 NH2 ARG A 86 1.893 -20.592 -44.716 1.00 1.00 N ATOM 0 H ARG A 86 -4.026 -17.002 -39.992 1.00 1.00 H new ATOM 0 HA ARG A 86 -3.732 -16.642 -42.879 1.00 1.00 H new ATOM 0 HB2 ARG A 86 -3.060 -19.165 -41.417 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -4.031 -19.325 -42.867 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -2.333 -18.151 -44.193 1.00 1.00 H new ATOM 0 HG3 ARG A 86 -1.390 -17.816 -42.754 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -1.124 -20.213 -42.355 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -2.099 -20.566 -43.767 1.00 1.00 H new ATOM 0 HE ARG A 86 -0.025 -18.947 -44.732 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -0.609 -22.213 -43.580 1.00 1.00 H new ATOM 0 HH12 ARG A 86 1.009 -22.794 -43.986 1.00 1.00 H new ATOM 0 HH21 ARG A 86 2.173 -19.654 -45.002 1.00 1.00 H new ATOM 0 HH22 ARG A 86 2.557 -21.363 -44.778 1.00 1.00 H new ATOM 1418 N CYS A 87 -6.138 -17.147 -43.198 1.00 1.00 N ATOM 1419 CA CYS A 87 -7.594 -17.280 -43.368 1.00 1.00 C ATOM 1420 C CYS A 87 -8.007 -18.774 -43.226 1.00 1.00 C ATOM 1421 O CYS A 87 -7.356 -19.669 -43.836 1.00 1.00 O ATOM 1422 CB CYS A 87 -8.083 -16.735 -44.678 1.00 1.00 C ATOM 1423 SG CYS A 87 -9.668 -15.874 -44.580 1.00 1.00 S ATOM 0 H CYS A 87 -5.657 -16.822 -44.036 1.00 1.00 H new ATOM 0 HA CYS A 87 -8.062 -16.684 -42.584 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -7.334 -16.049 -45.075 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -8.172 -17.556 -45.389 1.00 1.00 H new ATOM 0 HG CYS A 87 -9.886 -15.505 -43.353 1.00 1.00 H new ATOM 1509 N GLU A 93 -4.836 -12.673 -47.158 1.00 1.00 N ATOM 1510 CA GLU A 93 -3.668 -11.984 -46.608 1.00 1.00 C ATOM 1511 C GLU A 93 -3.976 -10.571 -46.107 1.00 1.00 C ATOM 1512 O GLU A 93 -3.252 -10.100 -45.213 1.00 1.00 O ATOM 1513 CB GLU A 93 -2.603 -12.014 -47.704 1.00 1.00 C ATOM 1514 CG GLU A 93 -1.611 -13.170 -47.588 1.00 1.00 C ATOM 1515 CD GLU A 93 -0.567 -13.122 -48.678 1.00 1.00 C ATOM 1516 OE1 GLU A 93 0.466 -12.461 -48.467 1.00 1.00 O ATOM 1517 OE2 GLU A 93 -0.790 -13.728 -49.752 1.00 1.00 O ATOM 0 HA GLU A 93 -3.313 -12.491 -45.711 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -3.098 -12.072 -48.673 1.00 1.00 H new ATOM 0 HB3 GLU A 93 -2.051 -11.074 -47.683 1.00 1.00 H new ATOM 0 HG2 GLU A 93 -1.122 -13.134 -46.614 1.00 1.00 H new ATOM 0 HG3 GLU A 93 -2.148 -14.117 -47.640 1.00 1.00 H new ATOM 1524 N TRP A 94 -4.966 -9.935 -46.766 1.00 1.00 N ATOM 1525 CA TRP A 94 -5.384 -8.556 -46.440 1.00 1.00 C ATOM 1526 C TRP A 94 -6.436 -8.513 -45.332 1.00 1.00 C ATOM 1527 O TRP A 94 -7.641 -8.707 -45.570 1.00 1.00 O ATOM 1528 CB TRP A 94 -5.887 -7.839 -47.664 1.00 1.00 C ATOM 1529 CG TRP A 94 -5.063 -6.645 -48.045 1.00 1.00 C ATOM 1530 CD1 TRP A 94 -5.268 -5.350 -47.647 1.00 1.00 C ATOM 1531 CD2 TRP A 94 -3.907 -6.622 -48.918 1.00 1.00 C ATOM 1532 NE1 TRP A 94 -4.327 -4.537 -48.213 1.00 1.00 N ATOM 1533 CE2 TRP A 94 -3.496 -5.291 -49.003 1.00 1.00 C ATOM 1534 CE3 TRP A 94 -3.212 -7.605 -49.654 1.00 1.00 C ATOM 1535 CZ2 TRP A 94 -2.390 -4.918 -49.755 1.00 1.00 C ATOM 1536 CZ3 TRP A 94 -2.134 -7.239 -50.392 1.00 1.00 C ATOM 1537 CH2 TRP A 94 -1.737 -5.900 -50.459 1.00 1.00 C ATOM 0 H TRP A 94 -5.493 -10.357 -47.531 1.00 1.00 H new ATOM 0 HA TRP A 94 -4.497 -8.042 -46.069 1.00 1.00 H new ATOM 0 HB2 TRP A 94 -5.907 -8.537 -48.501 1.00 1.00 H new ATOM 0 HB3 TRP A 94 -6.915 -7.520 -47.491 1.00 1.00 H new ATOM 0 HD1 TRP A 94 -6.055 -5.021 -46.985 1.00 1.00 H new ATOM 0 HE1 TRP A 94 -4.254 -3.530 -48.071 1.00 1.00 H new ATOM 0 HE3 TRP A 94 -3.534 -8.636 -49.630 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 -2.055 -3.892 -49.785 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 -1.577 -7.989 -50.933 1.00 1.00 H new ATOM 0 HH2 TRP A 94 -0.895 -5.631 -51.080 1.00 1.00 H new ATOM 1548 N ILE A 95 -5.938 -8.337 -44.095 1.00 1.00 N ATOM 1549 CA ILE A 95 -6.819 -8.335 -42.912 1.00 1.00 C ATOM 1550 C ILE A 95 -6.666 -7.000 -42.199 1.00 1.00 C ATOM 1551 O ILE A 95 -5.537 -6.514 -42.027 1.00 1.00 O ATOM 1552 CB ILE A 95 -6.549 -9.548 -41.893 1.00 1.00 C ATOM 1553 CG1 ILE A 95 -6.205 -10.869 -42.622 1.00 1.00 C ATOM 1554 CG2 ILE A 95 -7.771 -9.795 -40.981 1.00 1.00 C ATOM 1555 CD1 ILE A 95 -4.791 -11.338 -42.390 1.00 1.00 C ATOM 0 H ILE A 95 -4.949 -8.197 -43.889 1.00 1.00 H new ATOM 0 HA ILE A 95 -7.840 -8.478 -43.267 1.00 1.00 H new ATOM 0 HB ILE A 95 -5.690 -9.246 -41.293 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -6.895 -11.646 -42.293 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -6.363 -10.735 -43.692 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -7.558 -10.621 -40.303 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -7.981 -8.896 -40.402 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -8.638 -10.043 -41.593 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -4.623 -12.269 -42.932 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -4.093 -10.580 -42.746 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -4.633 -11.505 -41.324 1.00 1.00 H new ATOM 1567 N GLU A 96 -7.842 -6.472 -41.748 1.00 1.00 N ATOM 1568 CA GLU A 96 -7.885 -5.225 -40.972 1.00 1.00 C ATOM 1569 C GLU A 96 -7.930 -5.570 -39.487 1.00 1.00 C ATOM 1570 O GLU A 96 -8.703 -6.481 -39.067 1.00 1.00 O ATOM 1571 CB GLU A 96 -9.037 -4.363 -41.403 1.00 1.00 C ATOM 1572 CG GLU A 96 -8.635 -3.223 -42.317 1.00 1.00 C ATOM 1573 CD GLU A 96 -9.518 -2.006 -42.128 1.00 1.00 C ATOM 1574 OE1 GLU A 96 -9.185 -1.156 -41.272 1.00 1.00 O ATOM 1575 OE2 GLU A 96 -10.542 -1.901 -42.834 1.00 1.00 O ATOM 0 H GLU A 96 -8.755 -6.895 -41.913 1.00 1.00 H new ATOM 0 HA GLU A 96 -6.986 -4.638 -41.158 1.00 1.00 H new ATOM 0 HB2 GLU A 96 -9.773 -4.984 -41.913 1.00 1.00 H new ATOM 0 HB3 GLU A 96 -9.524 -3.953 -40.518 1.00 1.00 H new ATOM 0 HG2 GLU A 96 -7.597 -2.952 -42.123 1.00 1.00 H new ATOM 0 HG3 GLU A 96 -8.690 -3.553 -43.354 1.00 1.00 H new ATOM 1582 N GLU A 97 -7.045 -4.892 -38.702 1.00 1.00 N ATOM 1583 CA GLU A 97 -6.941 -5.123 -37.254 1.00 1.00 C ATOM 1584 C GLU A 97 -8.118 -4.485 -36.472 1.00 1.00 C ATOM 1585 O GLU A 97 -8.578 -3.383 -36.856 1.00 1.00 O ATOM 1586 CB GLU A 97 -5.641 -4.626 -36.670 1.00 1.00 C ATOM 1587 CG GLU A 97 -4.521 -5.638 -36.752 1.00 1.00 C ATOM 1588 CD GLU A 97 -3.185 -4.972 -36.956 1.00 1.00 C ATOM 1589 OE1 GLU A 97 -2.799 -4.764 -38.129 1.00 1.00 O ATOM 1590 OE2 GLU A 97 -2.524 -4.649 -35.946 1.00 1.00 O ATOM 0 H GLU A 97 -6.401 -4.186 -39.058 1.00 1.00 H new ATOM 0 HA GLU A 97 -6.979 -6.206 -37.141 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -5.340 -3.718 -37.193 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -5.800 -4.355 -35.626 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -4.497 -6.230 -35.837 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -4.713 -6.328 -37.573 1.00 1.00 H new ATOM 1597 N PRO A 98 -8.707 -5.216 -35.409 1.00 1.00 N ATOM 1598 CA PRO A 98 -9.773 -4.643 -34.578 1.00 1.00 C ATOM 1599 C PRO A 98 -9.334 -3.424 -33.720 1.00 1.00 C ATOM 1600 O PRO A 98 -8.114 -3.238 -33.422 1.00 1.00 O ATOM 1601 CB PRO A 98 -10.188 -5.841 -33.743 1.00 1.00 C ATOM 1602 CG PRO A 98 -9.005 -6.765 -33.711 1.00 1.00 C ATOM 1603 CD PRO A 98 -8.462 -6.665 -35.044 1.00 1.00 C ATOM 0 HA PRO A 98 -10.581 -4.209 -35.167 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -10.468 -5.534 -32.735 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -11.056 -6.336 -34.178 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -8.278 -6.460 -32.958 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -9.300 -7.787 -33.474 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -7.401 -6.912 -35.066 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -8.962 -7.344 -35.735 1.00 1.00 H new ATOM 1611 N ARG A 99 -10.359 -2.625 -33.342 1.00 1.00 N ATOM 1612 CA ARG A 99 -10.163 -1.441 -32.533 1.00 1.00 C ATOM 1613 C ARG A 99 -10.788 -1.622 -31.163 1.00 1.00 C ATOM 1614 O ARG A 99 -11.897 -2.206 -31.036 1.00 1.00 O ATOM 1615 CB ARG A 99 -10.715 -0.209 -33.228 1.00 1.00 C ATOM 1616 CG ARG A 99 -9.677 0.502 -34.058 1.00 1.00 C ATOM 1617 CD ARG A 99 -10.316 1.243 -35.180 1.00 1.00 C ATOM 1618 NE ARG A 99 -9.325 1.979 -35.969 1.00 1.00 N ATOM 1619 CZ ARG A 99 -9.296 1.984 -37.322 1.00 1.00 C ATOM 1620 NH1 ARG A 99 -10.308 1.495 -38.016 1.00 1.00 N ATOM 1621 NH2 ARG A 99 -8.263 2.476 -37.937 1.00 1.00 N ATOM 0 H ARG A 99 -11.331 -2.798 -33.597 1.00 1.00 H new ATOM 0 HA ARG A 99 -9.091 -1.293 -32.400 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -11.549 -0.500 -33.867 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -11.111 0.479 -32.481 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -9.116 1.195 -33.431 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -8.963 -0.221 -34.453 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -10.848 0.543 -35.824 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -11.056 1.938 -34.784 1.00 1.00 H new ATOM 0 HE ARG A 99 -8.617 2.518 -35.470 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -11.119 1.110 -37.532 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -10.278 1.503 -39.036 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -7.482 2.854 -37.400 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -8.232 2.484 -38.957 1.00 1.00 H new ATOM 1635 N PHE A 100 -10.033 -1.152 -30.145 1.00 1.00 N ATOM 1636 CA PHE A 100 -10.480 -1.220 -28.746 1.00 1.00 C ATOM 1637 C PHE A 100 -10.666 0.156 -28.199 1.00 1.00 C ATOM 1638 O PHE A 100 -9.796 1.039 -28.400 1.00 1.00 O ATOM 1639 CB PHE A 100 -9.496 -2.033 -27.892 1.00 1.00 C ATOM 1640 CG PHE A 100 -9.482 -3.529 -28.181 1.00 1.00 C ATOM 1641 CD1 PHE A 100 -10.349 -4.376 -27.525 1.00 1.00 C ATOM 1642 CD2 PHE A 100 -8.593 -4.049 -29.117 1.00 1.00 C ATOM 1643 CE1 PHE A 100 -10.335 -5.716 -27.787 1.00 1.00 C ATOM 1644 CE2 PHE A 100 -8.575 -5.388 -29.378 1.00 1.00 C ATOM 1645 CZ PHE A 100 -9.448 -6.225 -28.710 1.00 1.00 C ATOM 0 H PHE A 100 -9.116 -0.724 -30.271 1.00 1.00 H new ATOM 0 HA PHE A 100 -11.441 -1.734 -28.712 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -8.492 -1.638 -28.046 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -9.740 -1.883 -26.840 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -11.043 -3.978 -26.800 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -7.915 -3.390 -29.639 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -11.018 -6.375 -27.272 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -7.883 -5.791 -30.102 1.00 1.00 H new ATOM 0 HZ PHE A 100 -9.435 -7.286 -28.913 1.00 1.00 H new ATOM 1655 N LYS A 101 -11.849 0.373 -27.578 1.00 1.00 N ATOM 1656 CA LYS A 101 -12.206 1.680 -26.994 1.00 1.00 C ATOM 1657 C LYS A 101 -12.891 1.505 -25.650 1.00 1.00 C ATOM 1658 O LYS A 101 -13.576 0.486 -25.430 1.00 1.00 O ATOM 1659 CB LYS A 101 -13.094 2.494 -27.968 1.00 1.00 C ATOM 1660 CG LYS A 101 -12.310 3.511 -28.784 1.00 1.00 C ATOM 1661 CD LYS A 101 -13.207 4.652 -29.220 1.00 1.00 C ATOM 1662 CE LYS A 101 -12.407 5.802 -29.807 1.00 1.00 C ATOM 1663 NZ LYS A 101 -13.174 7.083 -29.817 1.00 1.00 N ATOM 0 H LYS A 101 -12.569 -0.341 -27.470 1.00 1.00 H new ATOM 0 HA LYS A 101 -11.285 2.240 -26.830 1.00 1.00 H new ATOM 0 HB2 LYS A 101 -13.603 1.808 -28.646 1.00 1.00 H new ATOM 0 HB3 LYS A 101 -13.866 3.012 -27.399 1.00 1.00 H new ATOM 0 HG2 LYS A 101 -11.481 3.899 -28.192 1.00 1.00 H new ATOM 0 HG3 LYS A 101 -11.877 3.027 -29.659 1.00 1.00 H new ATOM 0 HD2 LYS A 101 -13.922 4.291 -29.960 1.00 1.00 H new ATOM 0 HD3 LYS A 101 -13.784 5.008 -28.366 1.00 1.00 H new ATOM 0 HE2 LYS A 101 -11.491 5.935 -29.231 1.00 1.00 H new ATOM 0 HE3 LYS A 101 -12.110 5.552 -30.825 1.00 1.00 H new ATOM 0 HZ1 LYS A 101 -12.586 7.837 -30.226 1.00 1.00 H new ATOM 0 HZ2 LYS A 101 -14.036 6.967 -30.388 1.00 1.00 H new ATOM 0 HZ3 LYS A 101 -13.436 7.339 -28.843 1.00 1.00 H new ATOM 1677 N LEU A 102 -12.759 2.549 -24.782 1.00 1.00 N ATOM 1678 CA LEU A 102 -13.388 2.558 -23.456 1.00 1.00 C ATOM 1679 C LEU A 102 -14.375 3.694 -23.374 1.00 1.00 C ATOM 1680 O LEU A 102 -14.052 4.859 -23.744 1.00 1.00 O ATOM 1681 CB LEU A 102 -12.358 2.665 -22.338 1.00 1.00 C ATOM 1682 CG LEU A 102 -11.818 1.344 -21.807 1.00 1.00 C ATOM 1683 CD1 LEU A 102 -10.334 1.211 -22.084 1.00 1.00 C ATOM 1684 CD2 LEU A 102 -12.083 1.231 -20.319 1.00 1.00 C ATOM 0 H LEU A 102 -12.219 3.389 -24.990 1.00 1.00 H new ATOM 0 HA LEU A 102 -13.909 1.610 -23.322 1.00 1.00 H new ATOM 0 HB2 LEU A 102 -11.519 3.261 -22.698 1.00 1.00 H new ATOM 0 HB3 LEU A 102 -12.805 3.213 -21.509 1.00 1.00 H new ATOM 0 HG LEU A 102 -12.334 0.535 -22.324 1.00 1.00 H new ATOM 0 HD11 LEU A 102 -9.975 0.259 -21.694 1.00 1.00 H new ATOM 0 HD12 LEU A 102 -10.159 1.252 -23.159 1.00 1.00 H new ATOM 0 HD13 LEU A 102 -9.799 2.027 -21.598 1.00 1.00 H new ATOM 0 HD21 LEU A 102 -11.692 0.282 -19.951 1.00 1.00 H new ATOM 0 HD22 LEU A 102 -11.591 2.053 -19.798 1.00 1.00 H new ATOM 0 HD23 LEU A 102 -13.157 1.277 -20.136 1.00 1.00 H new ATOM 1696 N GLU A 103 -15.605 3.352 -22.936 1.00 1.00 N ATOM 1697 CA GLU A 103 -16.684 4.340 -22.790 1.00 1.00 C ATOM 1698 C GLU A 103 -17.229 4.322 -21.372 1.00 1.00 C ATOM 1699 O GLU A 103 -17.291 3.246 -20.743 1.00 1.00 O ATOM 1700 CB GLU A 103 -17.787 4.087 -23.839 1.00 1.00 C ATOM 1701 CG GLU A 103 -17.932 5.220 -24.846 1.00 1.00 C ATOM 1702 CD GLU A 103 -18.831 4.925 -26.101 1.00 1.00 C ATOM 1703 OE1 GLU A 103 -18.290 4.466 -27.149 1.00 1.00 O ATOM 1704 OE2 GLU A 103 -20.062 5.217 -26.057 1.00 1.00 O ATOM 0 H GLU A 103 -15.871 2.401 -22.679 1.00 1.00 H new ATOM 0 HA GLU A 103 -16.284 5.338 -22.972 1.00 1.00 H new ATOM 0 HB2 GLU A 103 -17.566 3.162 -24.372 1.00 1.00 H new ATOM 0 HB3 GLU A 103 -18.738 3.941 -23.328 1.00 1.00 H new ATOM 0 HG2 GLU A 103 -18.341 6.088 -24.328 1.00 1.00 H new ATOM 0 HG3 GLU A 103 -16.937 5.497 -25.195 1.00 1.00 H new ATOM 1711 N ARG A 104 -17.680 5.517 -20.924 1.00 1.00 N ATOM 1712 CA ARG A 104 -18.255 5.670 -19.581 1.00 1.00 C ATOM 1713 C ARG A 104 -19.783 5.797 -19.657 1.00 1.00 C ATOM 1714 O ARG A 104 -20.294 6.710 -20.358 1.00 1.00 O ATOM 1715 CB ARG A 104 -17.686 6.909 -18.887 1.00 1.00 C ATOM 1716 CG ARG A 104 -16.549 6.644 -17.958 1.00 1.00 C ATOM 1717 CD ARG A 104 -15.977 7.930 -17.489 1.00 1.00 C ATOM 1718 NE ARG A 104 -14.907 7.730 -16.512 1.00 1.00 N ATOM 1719 CZ ARG A 104 -13.957 8.643 -16.244 1.00 1.00 C ATOM 1720 NH1 ARG A 104 -14.087 9.893 -16.663 1.00 1.00 N ATOM 1721 NH2 ARG A 104 -12.925 8.294 -15.538 1.00 1.00 N ATOM 0 H ARG A 104 -17.654 6.377 -21.472 1.00 1.00 H new ATOM 0 HA ARG A 104 -17.994 4.782 -19.006 1.00 1.00 H new ATOM 0 HB2 ARG A 104 -17.356 7.615 -19.649 1.00 1.00 H new ATOM 0 HB3 ARG A 104 -18.487 7.394 -18.329 1.00 1.00 H new ATOM 0 HG2 ARG A 104 -16.892 6.055 -17.107 1.00 1.00 H new ATOM 0 HG3 ARG A 104 -15.783 6.057 -18.464 1.00 1.00 H new ATOM 0 HD2 ARG A 104 -15.589 8.487 -18.342 1.00 1.00 H new ATOM 0 HD3 ARG A 104 -16.766 8.537 -17.044 1.00 1.00 H new ATOM 0 HE ARG A 104 -14.880 6.846 -16.004 1.00 1.00 H new ATOM 0 HH11 ARG A 104 -14.913 10.170 -17.194 1.00 1.00 H new ATOM 0 HH12 ARG A 104 -13.361 10.579 -16.455 1.00 1.00 H new ATOM 0 HH21 ARG A 104 -12.842 7.337 -15.194 1.00 1.00 H new ATOM 0 HH22 ARG A 104 -12.197 8.976 -15.327 1.00 1.00 H new ATOM 1735 N LYS A 105 -20.549 4.791 -18.960 1.00 1.00 N ATOM 1736 CA LYS A 105 -22.103 4.688 -18.875 1.00 1.00 C ATOM 1737 C LYS A 105 -22.648 4.980 -17.387 1.00 1.00 C ATOM 1738 O LYS A 105 -23.374 5.997 -17.226 1.00 1.00 O ATOM 1739 CB LYS A 105 -22.651 3.272 -19.467 1.00 1.00 C ATOM 1740 CG LYS A 105 -23.248 3.292 -20.937 1.00 1.00 C ATOM 1741 CD LYS A 105 -23.744 1.899 -21.425 1.00 1.00 C ATOM 1742 CE LYS A 105 -24.327 1.929 -22.858 1.00 1.00 C ATOM 1743 NZ LYS A 105 -24.797 0.583 -23.306 1.00 1.00 N ATOM 1744 OXT LYS A 105 -22.315 4.232 -16.411 1.00 1.00 O ATOM 0 H LYS A 105 -20.090 4.038 -18.448 1.00 1.00 H new ATOM 0 HA LYS A 105 -22.509 5.473 -19.513 1.00 1.00 H new ATOM 0 HB2 LYS A 105 -21.831 2.554 -19.444 1.00 1.00 H new ATOM 0 HB3 LYS A 105 -23.421 2.898 -18.793 1.00 1.00 H new ATOM 0 HG2 LYS A 105 -24.078 3.998 -20.974 1.00 1.00 H new ATOM 0 HG3 LYS A 105 -22.486 3.659 -21.625 1.00 1.00 H new ATOM 0 HD2 LYS A 105 -22.914 1.193 -21.392 1.00 1.00 H new ATOM 0 HD3 LYS A 105 -24.505 1.530 -20.737 1.00 1.00 H new ATOM 0 HE2 LYS A 105 -25.158 2.633 -22.895 1.00 1.00 H new ATOM 0 HE3 LYS A 105 -23.568 2.295 -23.549 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 -25.179 0.652 -24.271 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 -23.999 -0.084 -23.297 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 -25.540 0.243 -22.663 1.00 1.00 H new