USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 818 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 29 ASN : amide:sc= -3.32! C(o=-6.9!,f=-9.7!) USER MOD Set 1.2: A 73 ASN : amide:sc= -3.61! C(o=-6.9!,f=-11!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 26 SER OG : rot 180:sc= -0.372 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0387) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0319 (180deg=-0.268) USER MOD Single : A 35 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-3!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.547 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -73:sc= 0.0931 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 29:sc= 0.236 USER MOD Single : A 53 LYS NZ :NH3+ 148:sc= 0.146 (180deg=-0.0252) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00902 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 21:sc= 1.02 USER MOD Single : A 83 THR OG1 : rot 138:sc= 1.67 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0546 X(o=-0.055,f=-0.027) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.919 F(o=-2.1,f=-0.92) USER MOD Single : A 102 LYS NZ :NH3+ -152:sc=-0.00512 (180deg=-0.789) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 182 N THR A 14 -0.009 5.836 6.392 1.00 0.00 N ATOM 183 CA THR A 14 -1.152 5.164 5.786 1.00 0.00 C ATOM 184 C THR A 14 -1.638 4.012 6.658 1.00 0.00 C ATOM 185 O THR A 14 -1.142 3.808 7.766 1.00 0.00 O ATOM 186 CB THR A 14 -0.807 4.623 4.386 1.00 0.00 C ATOM 187 OG1 THR A 14 -2.006 4.416 3.632 1.00 0.00 O ATOM 188 CG2 THR A 14 -0.033 3.317 4.486 1.00 0.00 C ATOM 0 HA THR A 14 -1.945 5.907 5.696 1.00 0.00 H new ATOM 0 HB THR A 14 -0.182 5.359 3.880 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.778 4.074 2.742 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.199 2.954 3.485 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.893 3.484 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.637 2.576 5.010 1.00 0.00 H new ATOM 196 N ALA A 15 -2.611 3.262 6.151 1.00 0.00 N ATOM 197 CA ALA A 15 -3.162 2.129 6.883 1.00 0.00 C ATOM 198 C ALA A 15 -2.648 0.809 6.320 1.00 0.00 C ATOM 199 O ALA A 15 -2.296 0.703 5.145 1.00 0.00 O ATOM 200 CB ALA A 15 -4.683 2.165 6.845 1.00 0.00 C ATOM 0 H ALA A 15 -3.034 3.419 5.236 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.834 2.204 7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.081 1.313 7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.037 3.089 7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.022 2.119 5.810 1.00 0.00 H new ATOM 206 N PRO A 16 -2.603 -0.224 7.175 1.00 0.00 N ATOM 207 CA PRO A 16 -2.133 -1.556 6.784 1.00 0.00 C ATOM 208 C PRO A 16 -3.101 -2.257 5.836 1.00 0.00 C ATOM 209 O PRO A 16 -4.208 -2.628 6.226 1.00 0.00 O ATOM 210 CB PRO A 16 -2.049 -2.307 8.115 1.00 0.00 C ATOM 211 CG PRO A 16 -3.025 -1.615 9.003 1.00 0.00 C ATOM 212 CD PRO A 16 -3.008 -0.170 8.590 1.00 0.00 C ATOM 0 HA PRO A 16 -1.188 -1.513 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.303 -3.360 7.992 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.041 -2.268 8.528 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.022 -2.041 8.893 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.745 -1.725 10.051 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.987 0.294 8.710 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.305 0.410 9.187 1.00 0.00 H new ATOM 220 N VAL A 17 -2.676 -2.435 4.589 1.00 0.00 N ATOM 221 CA VAL A 17 -3.504 -3.094 3.586 1.00 0.00 C ATOM 222 C VAL A 17 -3.964 -4.465 4.067 1.00 0.00 C ATOM 223 O VAL A 17 -4.929 -5.025 3.548 1.00 0.00 O ATOM 224 CB VAL A 17 -2.750 -3.255 2.253 1.00 0.00 C ATOM 225 CG1 VAL A 17 -3.439 -4.285 1.371 1.00 0.00 C ATOM 226 CG2 VAL A 17 -2.639 -1.917 1.539 1.00 0.00 C ATOM 0 H VAL A 17 -1.763 -2.132 4.249 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.375 -2.458 3.427 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.742 -3.611 2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.892 -4.385 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.460 -5.247 1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.459 -3.962 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.103 -2.050 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.637 -1.529 1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.097 -1.212 2.169 1.00 0.00 H new ATOM 236 N ALA A 18 -3.266 -5.002 5.063 1.00 0.00 N ATOM 237 CA ALA A 18 -3.604 -6.307 5.616 1.00 0.00 C ATOM 238 C ALA A 18 -3.853 -7.325 4.509 1.00 0.00 C ATOM 239 O ALA A 18 -4.886 -7.995 4.487 1.00 0.00 O ATOM 240 CB ALA A 18 -4.824 -6.198 6.519 1.00 0.00 C ATOM 0 H ALA A 18 -2.463 -4.553 5.503 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.757 -6.653 6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.065 -7.180 6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.611 -5.510 7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.671 -5.826 5.943 1.00 0.00 H new ATOM 246 N LEU A 19 -2.901 -7.436 3.589 1.00 0.00 N ATOM 247 CA LEU A 19 -3.017 -8.373 2.477 1.00 0.00 C ATOM 248 C LEU A 19 -3.167 -9.804 2.983 1.00 0.00 C ATOM 249 O LEU A 19 -2.577 -10.179 3.996 1.00 0.00 O ATOM 250 CB LEU A 19 -1.792 -8.268 1.566 1.00 0.00 C ATOM 251 CG LEU A 19 -1.681 -6.990 0.734 1.00 0.00 C ATOM 252 CD1 LEU A 19 -0.414 -7.009 -0.106 1.00 0.00 C ATOM 253 CD2 LEU A 19 -2.908 -6.822 -0.151 1.00 0.00 C ATOM 0 H LEU A 19 -2.040 -6.889 3.591 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.910 -8.114 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.897 -8.355 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.795 -9.121 0.887 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.629 -6.140 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.352 -6.092 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.455 -7.082 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.436 -7.867 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.812 -5.907 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.991 -7.676 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.800 -6.762 0.472 1.00 0.00 H new ATOM 265 N ARG A 20 -3.960 -10.598 2.270 1.00 0.00 N ATOM 266 CA ARG A 20 -4.187 -11.988 2.647 1.00 0.00 C ATOM 267 C ARG A 20 -3.149 -12.902 2.003 1.00 0.00 C ATOM 268 O ARG A 20 -2.352 -12.465 1.173 1.00 0.00 O ATOM 269 CB ARG A 20 -5.594 -12.426 2.236 1.00 0.00 C ATOM 270 CG ARG A 20 -6.643 -12.194 3.311 1.00 0.00 C ATOM 271 CD ARG A 20 -7.919 -12.967 3.020 1.00 0.00 C ATOM 272 NE ARG A 20 -9.092 -12.329 3.612 1.00 0.00 N ATOM 273 CZ ARG A 20 -9.625 -11.202 3.153 1.00 0.00 C ATOM 274 NH1 ARG A 20 -9.093 -10.593 2.103 1.00 0.00 N ATOM 275 NH2 ARG A 20 -10.693 -10.683 3.744 1.00 0.00 N ATOM 0 H ARG A 20 -4.456 -10.302 1.429 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.092 -12.066 3.730 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.884 -11.886 1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.575 -13.486 1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.246 -12.497 4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.868 -11.130 3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.056 -13.048 1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.824 -13.982 3.407 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.525 -12.773 4.422 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.272 -10.989 1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.504 -9.728 1.753 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.106 -11.149 4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.101 -9.818 3.391 1.00 0.00 H new ATOM 289 N GLU A 21 -3.165 -14.173 2.392 1.00 0.00 N ATOM 290 CA GLU A 21 -2.224 -15.148 1.853 1.00 0.00 C ATOM 291 C GLU A 21 -2.957 -16.375 1.319 1.00 0.00 C ATOM 292 O GLU A 21 -4.012 -16.752 1.829 1.00 0.00 O ATOM 293 CB GLU A 21 -1.219 -15.569 2.928 1.00 0.00 C ATOM 294 CG GLU A 21 -1.775 -16.577 3.920 1.00 0.00 C ATOM 295 CD GLU A 21 -1.644 -18.007 3.434 1.00 0.00 C ATOM 296 OE1 GLU A 21 -0.509 -18.430 3.131 1.00 0.00 O ATOM 297 OE2 GLU A 21 -2.678 -18.704 3.356 1.00 0.00 O ATOM 0 H GLU A 21 -3.819 -14.551 3.078 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.688 -14.679 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.340 -15.995 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.887 -14.683 3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.253 -16.471 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.826 -16.356 4.107 1.00 0.00 H new ATOM 304 N GLY A 22 -2.390 -16.995 0.288 1.00 0.00 N ATOM 305 CA GLY A 22 -3.004 -18.172 -0.299 1.00 0.00 C ATOM 306 C GLY A 22 -3.985 -17.826 -1.401 1.00 0.00 C ATOM 307 O GLY A 22 -4.272 -18.652 -2.266 1.00 0.00 O ATOM 0 H GLY A 22 -1.517 -16.703 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.226 -18.822 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.520 -18.735 0.479 1.00 0.00 H new ATOM 311 N GLU A 23 -4.501 -16.601 -1.370 1.00 0.00 N ATOM 312 CA GLU A 23 -5.457 -16.149 -2.373 1.00 0.00 C ATOM 313 C GLU A 23 -4.782 -15.243 -3.399 1.00 0.00 C ATOM 314 O GLU A 23 -3.874 -14.480 -3.068 1.00 0.00 O ATOM 315 CB GLU A 23 -6.617 -15.407 -1.707 1.00 0.00 C ATOM 316 CG GLU A 23 -7.640 -16.329 -1.065 1.00 0.00 C ATOM 317 CD GLU A 23 -8.216 -17.333 -2.044 1.00 0.00 C ATOM 318 OE1 GLU A 23 -9.089 -16.944 -2.848 1.00 0.00 O ATOM 319 OE2 GLU A 23 -7.794 -18.508 -2.006 1.00 0.00 O ATOM 0 H GLU A 23 -4.273 -15.904 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.845 -17.027 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.219 -14.735 -0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.116 -14.787 -2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.174 -16.862 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.449 -15.731 -0.645 1.00 0.00 H new ATOM 326 N ASP A 24 -5.231 -15.334 -4.646 1.00 0.00 N ATOM 327 CA ASP A 24 -4.672 -14.524 -5.722 1.00 0.00 C ATOM 328 C ASP A 24 -5.066 -13.059 -5.559 1.00 0.00 C ATOM 329 O ASP A 24 -6.134 -12.639 -6.008 1.00 0.00 O ATOM 330 CB ASP A 24 -5.144 -15.044 -7.080 1.00 0.00 C ATOM 331 CG ASP A 24 -6.574 -15.545 -7.043 1.00 0.00 C ATOM 332 OD1 ASP A 24 -7.497 -14.718 -7.197 1.00 0.00 O ATOM 333 OD2 ASP A 24 -6.771 -16.765 -6.861 1.00 0.00 O ATOM 0 H ASP A 24 -5.981 -15.961 -4.937 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.586 -14.598 -5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.060 -14.248 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.488 -15.851 -7.405 1.00 0.00 H new ATOM 338 N LEU A 25 -4.200 -12.286 -4.914 1.00 0.00 N ATOM 339 CA LEU A 25 -4.458 -10.868 -4.691 1.00 0.00 C ATOM 340 C LEU A 25 -4.281 -10.073 -5.981 1.00 0.00 C ATOM 341 O LEU A 25 -3.356 -9.270 -6.105 1.00 0.00 O ATOM 342 CB LEU A 25 -3.522 -10.323 -3.611 1.00 0.00 C ATOM 343 CG LEU A 25 -3.447 -11.134 -2.317 1.00 0.00 C ATOM 344 CD1 LEU A 25 -2.100 -10.933 -1.638 1.00 0.00 C ATOM 345 CD2 LEU A 25 -4.581 -10.748 -1.379 1.00 0.00 C ATOM 0 H LEU A 25 -3.312 -12.617 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.490 -10.760 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.518 -10.252 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.837 -9.309 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.552 -12.190 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.065 -11.518 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.303 -11.260 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.966 -9.877 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.512 -11.335 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.508 -9.688 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.537 -10.944 -1.864 1.00 0.00 H new ATOM 357 N SER A 26 -5.175 -10.301 -6.938 1.00 0.00 N ATOM 358 CA SER A 26 -5.117 -9.607 -8.219 1.00 0.00 C ATOM 359 C SER A 26 -6.310 -8.669 -8.383 1.00 0.00 C ATOM 360 O SER A 26 -6.148 -7.455 -8.506 1.00 0.00 O ATOM 361 CB SER A 26 -5.086 -10.616 -9.368 1.00 0.00 C ATOM 362 OG SER A 26 -6.347 -11.241 -9.533 1.00 0.00 O ATOM 0 H SER A 26 -5.948 -10.961 -6.850 1.00 0.00 H new ATOM 0 HA SER A 26 -4.204 -9.013 -8.242 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.803 -10.111 -10.292 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.325 -11.372 -9.172 1.00 0.00 H new ATOM 0 HG SER A 26 -6.301 -11.880 -10.275 1.00 0.00 H new ATOM 368 N LYS A 27 -7.509 -9.242 -8.385 1.00 0.00 N ATOM 369 CA LYS A 27 -8.730 -8.460 -8.533 1.00 0.00 C ATOM 370 C LYS A 27 -8.691 -7.217 -7.650 1.00 0.00 C ATOM 371 O LYS A 27 -8.900 -6.099 -8.123 1.00 0.00 O ATOM 372 CB LYS A 27 -9.952 -9.311 -8.178 1.00 0.00 C ATOM 373 CG LYS A 27 -10.137 -10.515 -9.085 1.00 0.00 C ATOM 374 CD LYS A 27 -10.915 -10.154 -10.340 1.00 0.00 C ATOM 375 CE LYS A 27 -12.415 -10.272 -10.119 1.00 0.00 C ATOM 376 NZ LYS A 27 -12.864 -11.692 -10.113 1.00 0.00 N ATOM 0 H LYS A 27 -7.661 -10.246 -8.286 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.804 -8.144 -9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.859 -9.654 -7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.845 -8.688 -8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.162 -10.915 -9.363 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.662 -11.302 -8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.670 -9.136 -10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.614 -10.809 -11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.681 -9.803 -9.172 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.942 -9.728 -10.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.903 -11.728 -10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.487 -12.179 -10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.516 -12.163 -9.253 1.00 0.00 H new ATOM 390 N LYS A 28 -8.419 -7.418 -6.365 1.00 0.00 N ATOM 391 CA LYS A 28 -8.349 -6.313 -5.415 1.00 0.00 C ATOM 392 C LYS A 28 -7.565 -5.142 -6.000 1.00 0.00 C ATOM 393 O LYS A 28 -7.967 -3.987 -5.868 1.00 0.00 O ATOM 394 CB LYS A 28 -7.697 -6.776 -4.111 1.00 0.00 C ATOM 395 CG LYS A 28 -8.618 -7.603 -3.231 1.00 0.00 C ATOM 396 CD LYS A 28 -8.968 -8.931 -3.882 1.00 0.00 C ATOM 397 CE LYS A 28 -9.667 -9.864 -2.905 1.00 0.00 C ATOM 398 NZ LYS A 28 -11.000 -9.341 -2.496 1.00 0.00 N ATOM 0 H LYS A 28 -8.243 -8.336 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.366 -5.979 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.810 -7.363 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.362 -5.902 -3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.138 -7.784 -2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.531 -7.043 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.612 -8.756 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.060 -9.406 -4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.787 -10.846 -3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.043 -9.999 -2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.444 -10.005 -1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.884 -8.416 -2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.605 -9.237 -3.336 1.00 0.00 H new ATOM 412 N ASN A 29 -6.446 -5.449 -6.647 1.00 0.00 N ATOM 413 CA ASN A 29 -5.606 -4.422 -7.253 1.00 0.00 C ATOM 414 C ASN A 29 -6.459 -3.347 -7.920 1.00 0.00 C ATOM 415 O ASN A 29 -7.472 -3.630 -8.559 1.00 0.00 O ATOM 416 CB ASN A 29 -4.659 -5.047 -8.279 1.00 0.00 C ATOM 417 CG ASN A 29 -3.794 -6.137 -7.678 1.00 0.00 C ATOM 418 OD1 ASN A 29 -4.046 -6.604 -6.567 1.00 0.00 O ATOM 419 ND2 ASN A 29 -2.766 -6.548 -8.412 1.00 0.00 N ATOM 0 H ASN A 29 -6.099 -6.401 -6.765 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.017 -3.956 -6.463 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -5.241 -5.461 -9.102 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.020 -4.271 -8.700 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.148 -7.279 -8.060 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.595 -6.133 -9.328 1.00 0.00 H new ATOM 426 N PRO A 30 -6.040 -2.081 -7.768 1.00 0.00 N ATOM 427 CA PRO A 30 -4.837 -1.731 -7.008 1.00 0.00 C ATOM 428 C PRO A 30 -5.011 -1.957 -5.510 1.00 0.00 C ATOM 429 O PRO A 30 -6.102 -1.775 -4.968 1.00 0.00 O ATOM 430 CB PRO A 30 -4.649 -0.242 -7.307 1.00 0.00 C ATOM 431 CG PRO A 30 -6.014 0.251 -7.646 1.00 0.00 C ATOM 432 CD PRO A 30 -6.710 -0.895 -8.326 1.00 0.00 C ATOM 0 HA PRO A 30 -3.983 -2.347 -7.290 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.240 0.286 -6.446 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.956 -0.089 -8.134 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.552 0.558 -6.749 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.963 1.121 -8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.779 -0.900 -8.112 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.602 -0.845 -9.409 1.00 0.00 H new ATOM 440 N ILE A 31 -3.930 -2.353 -4.846 1.00 0.00 N ATOM 441 CA ILE A 31 -3.964 -2.601 -3.410 1.00 0.00 C ATOM 442 C ILE A 31 -3.304 -1.462 -2.640 1.00 0.00 C ATOM 443 O ILE A 31 -3.459 -1.350 -1.425 1.00 0.00 O ATOM 444 CB ILE A 31 -3.262 -3.924 -3.051 1.00 0.00 C ATOM 445 CG1 ILE A 31 -1.795 -3.882 -3.484 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.979 -5.097 -3.702 1.00 0.00 C ATOM 447 CD1 ILE A 31 -0.892 -4.757 -2.643 1.00 0.00 C ATOM 0 H ILE A 31 -3.020 -2.509 -5.280 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.014 -2.668 -3.125 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.298 -4.056 -1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.723 -4.195 -4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.439 -2.853 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.471 -6.025 -3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.010 -5.135 -3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.971 -4.973 -4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.133 -4.678 -3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.934 -4.431 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.223 -5.793 -2.712 1.00 0.00 H new ATOM 459 N ALA A 32 -2.568 -0.619 -3.356 1.00 0.00 N ATOM 460 CA ALA A 32 -1.887 0.513 -2.741 1.00 0.00 C ATOM 461 C ALA A 32 -2.071 1.781 -3.569 1.00 0.00 C ATOM 462 O ALA A 32 -1.961 1.756 -4.795 1.00 0.00 O ATOM 463 CB ALA A 32 -0.407 0.207 -2.564 1.00 0.00 C ATOM 0 H ALA A 32 -2.428 -0.699 -4.363 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.332 0.683 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.089 1.062 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.290 -0.668 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.042 0.008 -3.537 1.00 0.00 H new ATOM 469 N LYS A 33 -2.354 2.888 -2.891 1.00 0.00 N ATOM 470 CA LYS A 33 -2.553 4.167 -3.563 1.00 0.00 C ATOM 471 C LYS A 33 -1.934 5.306 -2.760 1.00 0.00 C ATOM 472 O LYS A 33 -2.261 5.502 -1.590 1.00 0.00 O ATOM 473 CB LYS A 33 -4.047 4.429 -3.772 1.00 0.00 C ATOM 474 CG LYS A 33 -4.923 3.875 -2.662 1.00 0.00 C ATOM 475 CD LYS A 33 -5.338 2.441 -2.943 1.00 0.00 C ATOM 476 CE LYS A 33 -6.411 2.372 -4.019 1.00 0.00 C ATOM 477 NZ LYS A 33 -7.708 2.928 -3.546 1.00 0.00 N ATOM 0 H LYS A 33 -2.451 2.925 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.059 4.120 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.211 5.504 -3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.355 3.989 -4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.384 3.920 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.811 4.497 -2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.468 1.864 -3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.710 1.983 -2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.079 2.923 -4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.551 1.336 -4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.472 2.611 -4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.897 2.595 -2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.663 3.967 -3.551 1.00 0.00 H new ATOM 491 N ILE A 34 -1.039 6.054 -3.397 1.00 0.00 N ATOM 492 CA ILE A 34 -0.377 7.175 -2.742 1.00 0.00 C ATOM 493 C ILE A 34 -0.237 8.361 -3.690 1.00 0.00 C ATOM 494 O ILE A 34 -0.032 8.188 -4.892 1.00 0.00 O ATOM 495 CB ILE A 34 1.018 6.780 -2.223 1.00 0.00 C ATOM 496 CG1 ILE A 34 1.926 6.381 -3.389 1.00 0.00 C ATOM 497 CG2 ILE A 34 0.907 5.643 -1.219 1.00 0.00 C ATOM 498 CD1 ILE A 34 3.395 6.354 -3.029 1.00 0.00 C ATOM 0 H ILE A 34 -0.756 5.904 -4.365 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.003 7.460 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 34 1.460 7.641 -1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.630 5.395 -3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.775 7.079 -4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.901 5.375 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.292 5.960 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.449 4.778 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.978 6.063 -3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.707 7.345 -2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.560 5.635 -2.227 1.00 0.00 H new ATOM 510 N HIS A 35 -0.346 9.567 -3.141 1.00 0.00 N ATOM 511 CA HIS A 35 -0.229 10.783 -3.938 1.00 0.00 C ATOM 512 C HIS A 35 -0.156 12.015 -3.041 1.00 0.00 C ATOM 513 O HIS A 35 -0.889 12.124 -2.058 1.00 0.00 O ATOM 514 CB HIS A 35 -1.413 10.906 -4.897 1.00 0.00 C ATOM 515 CG HIS A 35 -2.656 11.435 -4.250 1.00 0.00 C ATOM 516 ND1 HIS A 35 -2.815 12.758 -3.895 1.00 0.00 N ATOM 517 CD2 HIS A 35 -3.804 10.811 -3.895 1.00 0.00 C ATOM 518 CE1 HIS A 35 -4.006 12.924 -3.348 1.00 0.00 C ATOM 519 NE2 HIS A 35 -4.626 11.758 -3.337 1.00 0.00 N ATOM 0 H HIS A 35 -0.515 9.728 -2.148 1.00 0.00 H new ATOM 0 HA HIS A 35 0.692 10.721 -4.517 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.135 11.562 -5.722 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.625 9.927 -5.326 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.122 13.493 -4.033 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.031 9.763 -4.026 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.405 13.855 -2.973 1.00 0.00 H new ATOM 528 N SER A 36 0.734 12.941 -3.386 1.00 0.00 N ATOM 529 CA SER A 36 0.906 14.163 -2.610 1.00 0.00 C ATOM 530 C SER A 36 -0.134 15.207 -3.003 1.00 0.00 C ATOM 531 O SER A 36 -0.366 15.453 -4.186 1.00 0.00 O ATOM 532 CB SER A 36 2.314 14.727 -2.813 1.00 0.00 C ATOM 533 OG SER A 36 2.421 15.394 -4.058 1.00 0.00 O ATOM 0 H SER A 36 1.347 12.868 -4.198 1.00 0.00 H new ATOM 0 HA SER A 36 0.769 13.918 -1.557 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.552 15.418 -2.005 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.043 13.918 -2.766 1.00 0.00 H new ATOM 0 HG SER A 36 3.329 15.747 -4.163 1.00 0.00 H new ATOM 539 N ASP A 37 -0.758 15.818 -2.001 1.00 0.00 N ATOM 540 CA ASP A 37 -1.773 16.837 -2.240 1.00 0.00 C ATOM 541 C ASP A 37 -1.297 17.845 -3.282 1.00 0.00 C ATOM 542 O ASP A 37 -1.967 18.076 -4.289 1.00 0.00 O ATOM 543 CB ASP A 37 -2.120 17.557 -0.936 1.00 0.00 C ATOM 544 CG ASP A 37 -2.073 16.634 0.265 1.00 0.00 C ATOM 545 OD1 ASP A 37 -0.988 16.504 0.872 1.00 0.00 O ATOM 546 OD2 ASP A 37 -3.120 16.042 0.600 1.00 0.00 O ATOM 0 H ASP A 37 -0.578 15.625 -1.016 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.666 16.343 -2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.424 18.382 -0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.116 17.991 -1.018 1.00 0.00 H new ATOM 551 N LEU A 38 -0.137 18.442 -3.032 1.00 0.00 N ATOM 552 CA LEU A 38 0.429 19.426 -3.948 1.00 0.00 C ATOM 553 C LEU A 38 0.267 18.979 -5.397 1.00 0.00 C ATOM 554 O LEU A 38 -0.125 19.764 -6.259 1.00 0.00 O ATOM 555 CB LEU A 38 1.910 19.651 -3.634 1.00 0.00 C ATOM 556 CG LEU A 38 2.213 20.527 -2.418 1.00 0.00 C ATOM 557 CD1 LEU A 38 3.709 20.572 -2.153 1.00 0.00 C ATOM 558 CD2 LEU A 38 1.662 21.931 -2.621 1.00 0.00 C ATOM 0 H LEU A 38 0.430 18.262 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.111 20.363 -3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.380 18.679 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.382 20.101 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 38 1.724 20.089 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.906 21.200 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.075 19.563 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.220 20.985 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.887 22.540 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.122 22.378 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.582 21.881 -2.761 1.00 0.00 H new ATOM 570 N ALA A 39 0.569 17.711 -5.657 1.00 0.00 N ATOM 571 CA ALA A 39 0.453 17.158 -7.000 1.00 0.00 C ATOM 572 C ALA A 39 -0.863 17.571 -7.652 1.00 0.00 C ATOM 573 O ALA A 39 -0.895 17.940 -8.825 1.00 0.00 O ATOM 574 CB ALA A 39 0.570 15.641 -6.959 1.00 0.00 C ATOM 0 H ALA A 39 0.896 17.048 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 39 1.269 17.558 -7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.481 15.242 -7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.538 15.362 -6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.225 15.231 -6.336 1.00 0.00 H new ATOM 580 N GLU A 40 -1.945 17.505 -6.883 1.00 0.00 N ATOM 581 CA GLU A 40 -3.263 17.872 -7.387 1.00 0.00 C ATOM 582 C GLU A 40 -3.560 19.344 -7.117 1.00 0.00 C ATOM 583 O GLU A 40 -3.816 20.115 -8.040 1.00 0.00 O ATOM 584 CB GLU A 40 -4.341 16.996 -6.745 1.00 0.00 C ATOM 585 CG GLU A 40 -5.572 16.808 -7.616 1.00 0.00 C ATOM 586 CD GLU A 40 -6.352 15.558 -7.261 1.00 0.00 C ATOM 587 OE1 GLU A 40 -5.721 14.557 -6.860 1.00 0.00 O ATOM 588 OE2 GLU A 40 -7.595 15.580 -7.384 1.00 0.00 O ATOM 0 H GLU A 40 -1.935 17.201 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.269 17.711 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.915 16.019 -6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.642 17.441 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.221 17.678 -7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.268 16.758 -8.662 1.00 0.00 H new ATOM 595 N GLU A 41 -3.523 19.724 -5.843 1.00 0.00 N ATOM 596 CA GLU A 41 -3.789 21.103 -5.451 1.00 0.00 C ATOM 597 C GLU A 41 -3.240 22.080 -6.487 1.00 0.00 C ATOM 598 O GLU A 41 -3.954 22.962 -6.964 1.00 0.00 O ATOM 599 CB GLU A 41 -3.172 21.396 -4.082 1.00 0.00 C ATOM 600 CG GLU A 41 -3.825 20.628 -2.944 1.00 0.00 C ATOM 601 CD GLU A 41 -5.162 21.216 -2.536 1.00 0.00 C ATOM 602 OE1 GLU A 41 -5.192 22.393 -2.120 1.00 0.00 O ATOM 603 OE2 GLU A 41 -6.179 20.498 -2.633 1.00 0.00 O ATOM 0 H GLU A 41 -3.312 19.097 -5.067 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.869 21.233 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.110 21.152 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.248 22.464 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.965 19.590 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.156 20.623 -2.083 1.00 0.00 H new ATOM 610 N ARG A 42 -1.967 21.915 -6.830 1.00 0.00 N ATOM 611 CA ARG A 42 -1.320 22.782 -7.808 1.00 0.00 C ATOM 612 C ARG A 42 -1.318 22.135 -9.191 1.00 0.00 C ATOM 613 O ARG A 42 -1.478 22.814 -10.204 1.00 0.00 O ATOM 614 CB ARG A 42 0.114 23.092 -7.377 1.00 0.00 C ATOM 615 CG ARG A 42 0.201 23.946 -6.122 1.00 0.00 C ATOM 616 CD ARG A 42 0.036 25.424 -6.441 1.00 0.00 C ATOM 617 NE ARG A 42 1.229 25.984 -7.071 1.00 0.00 N ATOM 618 CZ ARG A 42 2.302 26.376 -6.394 1.00 0.00 C ATOM 619 NH1 ARG A 42 2.332 26.268 -5.073 1.00 0.00 N ATOM 620 NH2 ARG A 42 3.349 26.876 -7.038 1.00 0.00 N ATOM 0 H ARG A 42 -1.363 21.189 -6.445 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.885 23.712 -7.861 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.644 22.155 -7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.627 23.604 -8.191 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.570 23.637 -5.416 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.163 23.783 -5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.820 25.559 -7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.180 25.971 -5.523 1.00 0.00 H new ATOM 0 HE ARG A 42 1.238 26.079 -8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.530 25.883 -4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.157 26.570 -4.555 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.330 26.960 -8.054 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.172 27.177 -6.517 1.00 0.00 H new ATOM 634 N GLY A 43 -1.136 20.819 -9.223 1.00 0.00 N ATOM 635 CA GLY A 43 -1.116 20.103 -10.485 1.00 0.00 C ATOM 636 C GLY A 43 0.269 19.604 -10.846 1.00 0.00 C ATOM 637 O GLY A 43 0.537 19.277 -12.003 1.00 0.00 O ATOM 0 H GLY A 43 -1.002 20.235 -8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.801 19.257 -10.430 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.481 20.758 -11.277 1.00 0.00 H new ATOM 641 N LEU A 44 1.153 19.546 -9.856 1.00 0.00 N ATOM 642 CA LEU A 44 2.519 19.085 -10.076 1.00 0.00 C ATOM 643 C LEU A 44 2.563 17.568 -10.231 1.00 0.00 C ATOM 644 O LEU A 44 1.602 16.871 -9.905 1.00 0.00 O ATOM 645 CB LEU A 44 3.417 19.517 -8.915 1.00 0.00 C ATOM 646 CG LEU A 44 3.514 21.022 -8.665 1.00 0.00 C ATOM 647 CD1 LEU A 44 3.798 21.303 -7.198 1.00 0.00 C ATOM 648 CD2 LEU A 44 4.589 21.640 -9.547 1.00 0.00 C ATOM 0 H LEU A 44 0.948 19.813 -8.893 1.00 0.00 H new ATOM 0 HA LEU A 44 2.885 19.537 -10.998 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.054 19.040 -8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.421 19.134 -9.097 1.00 0.00 H new ATOM 0 HG LEU A 44 2.557 21.476 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.864 22.379 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.993 20.895 -6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.741 20.836 -6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.645 22.712 -9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.552 21.181 -9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.342 21.470 -10.595 1.00 0.00 H new ATOM 660 N LYS A 45 3.686 17.062 -10.729 1.00 0.00 N ATOM 661 CA LYS A 45 3.859 15.628 -10.924 1.00 0.00 C ATOM 662 C LYS A 45 4.846 15.056 -9.912 1.00 0.00 C ATOM 663 O LYS A 45 5.851 15.688 -9.585 1.00 0.00 O ATOM 664 CB LYS A 45 4.347 15.341 -12.346 1.00 0.00 C ATOM 665 CG LYS A 45 5.658 16.027 -12.689 1.00 0.00 C ATOM 666 CD LYS A 45 6.469 15.214 -13.684 1.00 0.00 C ATOM 667 CE LYS A 45 7.952 15.543 -13.596 1.00 0.00 C ATOM 668 NZ LYS A 45 8.757 14.739 -14.557 1.00 0.00 N ATOM 0 H LYS A 45 4.491 17.625 -11.005 1.00 0.00 H new ATOM 0 HA LYS A 45 2.892 15.147 -10.774 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.467 14.265 -12.470 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.583 15.661 -13.055 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.455 17.014 -13.104 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.240 16.177 -11.780 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.319 14.151 -13.495 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.111 15.411 -14.694 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.101 16.604 -13.796 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.306 15.357 -12.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.761 14.993 -14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.635 13.727 -14.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.437 14.935 -15.527 1.00 0.00 H new ATOM 682 N ILE A 46 4.555 13.856 -9.421 1.00 0.00 N ATOM 683 CA ILE A 46 5.418 13.198 -8.448 1.00 0.00 C ATOM 684 C ILE A 46 5.688 11.751 -8.843 1.00 0.00 C ATOM 685 O ILE A 46 4.860 11.105 -9.486 1.00 0.00 O ATOM 686 CB ILE A 46 4.802 13.228 -7.037 1.00 0.00 C ATOM 687 CG1 ILE A 46 3.937 14.478 -6.861 1.00 0.00 C ATOM 688 CG2 ILE A 46 5.895 13.179 -5.980 1.00 0.00 C ATOM 689 CD1 ILE A 46 4.732 15.765 -6.851 1.00 0.00 C ATOM 0 H ILE A 46 3.728 13.319 -9.681 1.00 0.00 H new ATOM 0 HA ILE A 46 6.358 13.750 -8.436 1.00 0.00 H new ATOM 0 HB ILE A 46 4.167 12.350 -6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.204 14.519 -7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.380 14.397 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.443 13.201 -4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.472 12.262 -6.096 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.554 14.039 -6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.055 16.610 -6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.447 15.745 -6.028 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.268 15.869 -7.795 1.00 0.00 H new ATOM 701 N THR A 47 6.854 11.244 -8.452 1.00 0.00 N ATOM 702 CA THR A 47 7.234 9.872 -8.764 1.00 0.00 C ATOM 703 C THR A 47 7.090 8.970 -7.543 1.00 0.00 C ATOM 704 O THR A 47 7.363 9.387 -6.417 1.00 0.00 O ATOM 705 CB THR A 47 8.683 9.793 -9.279 1.00 0.00 C ATOM 706 OG1 THR A 47 8.824 10.578 -10.468 1.00 0.00 O ATOM 707 CG2 THR A 47 9.078 8.353 -9.566 1.00 0.00 C ATOM 0 H THR A 47 7.551 11.764 -7.919 1.00 0.00 H new ATOM 0 HA THR A 47 6.559 9.528 -9.548 1.00 0.00 H new ATOM 0 HB THR A 47 9.342 10.186 -8.505 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.749 10.524 -10.788 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.106 8.323 -9.929 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.998 7.765 -8.652 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.414 7.938 -10.324 1.00 0.00 H new ATOM 715 N TYR A 48 6.662 7.734 -7.773 1.00 0.00 N ATOM 716 CA TYR A 48 6.481 6.774 -6.690 1.00 0.00 C ATOM 717 C TYR A 48 7.591 5.728 -6.699 1.00 0.00 C ATOM 718 O TYR A 48 7.887 5.127 -7.732 1.00 0.00 O ATOM 719 CB TYR A 48 5.118 6.090 -6.810 1.00 0.00 C ATOM 720 CG TYR A 48 3.965 7.057 -6.956 1.00 0.00 C ATOM 721 CD1 TYR A 48 3.815 8.126 -6.081 1.00 0.00 C ATOM 722 CD2 TYR A 48 3.026 6.901 -7.968 1.00 0.00 C ATOM 723 CE1 TYR A 48 2.763 9.012 -6.210 1.00 0.00 C ATOM 724 CE2 TYR A 48 1.971 7.783 -8.105 1.00 0.00 C ATOM 725 CZ TYR A 48 1.844 8.836 -7.224 1.00 0.00 C ATOM 726 OH TYR A 48 0.794 9.716 -7.357 1.00 0.00 O ATOM 0 H TYR A 48 6.434 7.373 -8.699 1.00 0.00 H new ATOM 0 HA TYR A 48 6.526 7.316 -5.746 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.131 5.421 -7.671 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.953 5.471 -5.928 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.533 8.267 -5.287 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.122 6.077 -8.659 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.660 9.838 -5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.250 7.648 -8.898 1.00 0.00 H new ATOM 0 HH TYR A 48 0.139 9.554 -6.646 1.00 0.00 H new ATOM 736 N LYS A 49 8.202 5.514 -5.539 1.00 0.00 N ATOM 737 CA LYS A 49 9.279 4.540 -5.409 1.00 0.00 C ATOM 738 C LYS A 49 9.081 3.671 -4.171 1.00 0.00 C ATOM 739 O LYS A 49 8.810 4.179 -3.082 1.00 0.00 O ATOM 740 CB LYS A 49 10.632 5.251 -5.335 1.00 0.00 C ATOM 741 CG LYS A 49 11.811 4.302 -5.203 1.00 0.00 C ATOM 742 CD LYS A 49 13.113 4.971 -5.612 1.00 0.00 C ATOM 743 CE LYS A 49 14.313 4.302 -4.958 1.00 0.00 C ATOM 744 NZ LYS A 49 15.599 4.888 -5.428 1.00 0.00 N ATOM 0 H LYS A 49 7.969 6.003 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 49 9.261 3.897 -6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.763 5.858 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.629 5.933 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.887 3.955 -4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.642 3.422 -5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.219 4.931 -6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.085 6.024 -5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.241 4.405 -3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.298 3.235 -5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.392 4.405 -4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.680 4.767 -6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.624 5.901 -5.195 1.00 0.00 H new ATOM 758 N TYR A 50 9.218 2.362 -4.344 1.00 0.00 N ATOM 759 CA TYR A 50 9.053 1.423 -3.241 1.00 0.00 C ATOM 760 C TYR A 50 10.344 0.653 -2.982 1.00 0.00 C ATOM 761 O TYR A 50 10.995 0.177 -3.913 1.00 0.00 O ATOM 762 CB TYR A 50 7.915 0.446 -3.541 1.00 0.00 C ATOM 763 CG TYR A 50 6.553 1.100 -3.590 1.00 0.00 C ATOM 764 CD1 TYR A 50 6.197 1.932 -4.644 1.00 0.00 C ATOM 765 CD2 TYR A 50 5.621 0.886 -2.582 1.00 0.00 C ATOM 766 CE1 TYR A 50 4.954 2.532 -4.693 1.00 0.00 C ATOM 767 CE2 TYR A 50 4.375 1.480 -2.623 1.00 0.00 C ATOM 768 CZ TYR A 50 4.046 2.303 -3.681 1.00 0.00 C ATOM 769 OH TYR A 50 2.806 2.898 -3.725 1.00 0.00 O ATOM 0 H TYR A 50 9.443 1.926 -5.238 1.00 0.00 H new ATOM 0 HA TYR A 50 8.807 1.994 -2.346 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.109 -0.042 -4.496 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.907 -0.334 -2.780 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.905 2.113 -5.439 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.875 0.244 -1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.695 3.177 -5.519 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.662 1.302 -1.832 1.00 0.00 H new ATOM 0 HH TYR A 50 2.287 2.632 -2.937 1.00 0.00 H new ATOM 779 N THR A 51 10.710 0.534 -1.709 1.00 0.00 N ATOM 780 CA THR A 51 11.923 -0.176 -1.326 1.00 0.00 C ATOM 781 C THR A 51 11.727 -0.934 -0.017 1.00 0.00 C ATOM 782 O THR A 51 11.410 -0.340 1.013 1.00 0.00 O ATOM 783 CB THR A 51 13.115 0.788 -1.174 1.00 0.00 C ATOM 784 OG1 THR A 51 12.811 1.792 -0.199 1.00 0.00 O ATOM 785 CG2 THR A 51 13.450 1.448 -2.503 1.00 0.00 C ATOM 0 H THR A 51 10.183 0.921 -0.926 1.00 0.00 H new ATOM 0 HA THR A 51 12.139 -0.885 -2.125 1.00 0.00 H new ATOM 0 HB THR A 51 13.980 0.213 -0.845 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.188 1.427 0.463 1.00 0.00 H new ATOM 0 HG21 THR A 51 14.295 2.124 -2.371 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.709 0.682 -3.234 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.587 2.011 -2.857 1.00 0.00 H new ATOM 793 N GLY A 52 11.917 -2.249 -0.065 1.00 0.00 N ATOM 794 CA GLY A 52 11.757 -3.065 1.124 1.00 0.00 C ATOM 795 C GLY A 52 11.591 -4.536 0.798 1.00 0.00 C ATOM 796 O GLY A 52 11.532 -4.919 -0.370 1.00 0.00 O ATOM 0 H GLY A 52 12.179 -2.763 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.625 -2.935 1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.888 -2.720 1.684 1.00 0.00 H new ATOM 800 N LYS A 53 11.516 -5.365 1.834 1.00 0.00 N ATOM 801 CA LYS A 53 11.356 -6.803 1.655 1.00 0.00 C ATOM 802 C LYS A 53 10.402 -7.105 0.504 1.00 0.00 C ATOM 803 O LYS A 53 9.252 -6.668 0.507 1.00 0.00 O ATOM 804 CB LYS A 53 10.837 -7.444 2.943 1.00 0.00 C ATOM 805 CG LYS A 53 11.095 -8.939 3.026 1.00 0.00 C ATOM 806 CD LYS A 53 11.225 -9.403 4.467 1.00 0.00 C ATOM 807 CE LYS A 53 9.870 -9.475 5.154 1.00 0.00 C ATOM 808 NZ LYS A 53 9.457 -8.154 5.704 1.00 0.00 N ATOM 0 H LYS A 53 11.564 -5.065 2.808 1.00 0.00 H new ATOM 0 HA LYS A 53 12.332 -7.224 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.306 -6.955 3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.765 -7.264 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.280 -9.477 2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.007 -9.183 2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.700 -10.384 4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.875 -8.720 5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.120 -9.823 4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.910 -10.208 5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.421 -8.070 5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.773 -8.075 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.888 -7.393 5.141 1.00 0.00 H new ATOM 822 N GLY A 54 10.887 -7.856 -0.480 1.00 0.00 N ATOM 823 CA GLY A 54 10.063 -8.205 -1.623 1.00 0.00 C ATOM 824 C GLY A 54 10.543 -7.552 -2.904 1.00 0.00 C ATOM 825 O GLY A 54 10.317 -8.074 -3.996 1.00 0.00 O ATOM 0 H GLY A 54 11.836 -8.229 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.062 -9.288 -1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.033 -7.905 -1.430 1.00 0.00 H new ATOM 829 N ILE A 55 11.206 -6.408 -2.772 1.00 0.00 N ATOM 830 CA ILE A 55 11.718 -5.684 -3.928 1.00 0.00 C ATOM 831 C ILE A 55 13.243 -5.658 -3.929 1.00 0.00 C ATOM 832 O ILE A 55 13.885 -6.264 -4.787 1.00 0.00 O ATOM 833 CB ILE A 55 11.191 -4.238 -3.966 1.00 0.00 C ATOM 834 CG1 ILE A 55 9.661 -4.230 -4.016 1.00 0.00 C ATOM 835 CG2 ILE A 55 11.769 -3.494 -5.160 1.00 0.00 C ATOM 836 CD1 ILE A 55 9.058 -2.853 -3.853 1.00 0.00 C ATOM 0 H ILE A 55 11.401 -5.963 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 55 11.365 -6.213 -4.813 1.00 0.00 H new ATOM 0 HB ILE A 55 11.509 -3.728 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.335 -4.650 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.277 -4.881 -3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.387 -2.473 -5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.856 -3.473 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.479 -4.001 -6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.971 -2.924 -3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.354 -2.438 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.413 -2.203 -4.653 1.00 0.00 H new ATOM 848 N THR A 56 13.818 -4.952 -2.960 1.00 0.00 N ATOM 849 CA THR A 56 15.267 -4.847 -2.848 1.00 0.00 C ATOM 850 C THR A 56 15.879 -6.162 -2.377 1.00 0.00 C ATOM 851 O THR A 56 16.917 -6.589 -2.881 1.00 0.00 O ATOM 852 CB THR A 56 15.675 -3.726 -1.874 1.00 0.00 C ATOM 853 OG1 THR A 56 14.885 -3.800 -0.683 1.00 0.00 O ATOM 854 CG2 THR A 56 15.502 -2.359 -2.520 1.00 0.00 C ATOM 0 H THR A 56 13.302 -4.444 -2.242 1.00 0.00 H new ATOM 0 HA THR A 56 15.645 -4.609 -3.843 1.00 0.00 H new ATOM 0 HB THR A 56 16.727 -3.860 -1.620 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.152 -3.085 -0.068 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.796 -1.583 -1.814 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.128 -2.295 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.458 -2.218 -2.800 1.00 0.00 H new ATOM 862 N GLU A 57 15.228 -6.798 -1.408 1.00 0.00 N ATOM 863 CA GLU A 57 15.710 -8.065 -0.870 1.00 0.00 C ATOM 864 C GLU A 57 14.793 -9.214 -1.279 1.00 0.00 C ATOM 865 O GLU A 57 13.579 -9.057 -1.408 1.00 0.00 O ATOM 866 CB GLU A 57 15.806 -7.992 0.655 1.00 0.00 C ATOM 867 CG GLU A 57 17.095 -7.362 1.155 1.00 0.00 C ATOM 868 CD GLU A 57 18.296 -8.272 0.979 1.00 0.00 C ATOM 869 OE1 GLU A 57 18.742 -8.451 -0.173 1.00 0.00 O ATOM 870 OE2 GLU A 57 18.789 -8.805 1.996 1.00 0.00 O ATOM 0 H GLU A 57 14.367 -6.457 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 57 16.702 -8.252 -1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.960 -7.420 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.721 -8.999 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.270 -6.428 0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.986 -7.110 2.210 1.00 0.00 H new ATOM 877 N PRO A 58 15.387 -10.398 -1.488 1.00 0.00 N ATOM 878 CA PRO A 58 14.643 -11.597 -1.885 1.00 0.00 C ATOM 879 C PRO A 58 13.758 -12.129 -0.763 1.00 0.00 C ATOM 880 O PRO A 58 13.997 -11.881 0.419 1.00 0.00 O ATOM 881 CB PRO A 58 15.746 -12.605 -2.219 1.00 0.00 C ATOM 882 CG PRO A 58 16.922 -12.158 -1.421 1.00 0.00 C ATOM 883 CD PRO A 58 16.830 -10.658 -1.353 1.00 0.00 C ATOM 0 HA PRO A 58 13.963 -11.398 -2.713 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.449 -13.619 -1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 58 15.970 -12.608 -3.286 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.906 -12.596 -0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.854 -12.471 -1.891 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.221 -10.274 -0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.400 -10.184 -2.152 1.00 0.00 H new ATOM 891 N PRO A 59 12.711 -12.878 -1.139 1.00 0.00 N ATOM 892 CA PRO A 59 12.416 -13.179 -2.543 1.00 0.00 C ATOM 893 C PRO A 59 11.938 -11.952 -3.311 1.00 0.00 C ATOM 894 O PRO A 59 11.022 -11.253 -2.877 1.00 0.00 O ATOM 895 CB PRO A 59 11.299 -14.223 -2.455 1.00 0.00 C ATOM 896 CG PRO A 59 10.644 -13.967 -1.141 1.00 0.00 C ATOM 897 CD PRO A 59 11.734 -13.488 -0.222 1.00 0.00 C ATOM 0 HA PRO A 59 13.300 -13.524 -3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.592 -14.116 -3.277 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.699 -15.236 -2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.857 -13.219 -1.236 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.177 -14.873 -0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.359 -12.766 0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.173 -14.310 0.344 1.00 0.00 H new ATOM 905 N PHE A 60 12.565 -11.694 -4.454 1.00 0.00 N ATOM 906 CA PHE A 60 12.203 -10.550 -5.283 1.00 0.00 C ATOM 907 C PHE A 60 11.221 -10.959 -6.377 1.00 0.00 C ATOM 908 O PHE A 60 11.279 -12.074 -6.893 1.00 0.00 O ATOM 909 CB PHE A 60 13.455 -9.933 -5.911 1.00 0.00 C ATOM 910 CG PHE A 60 14.541 -10.933 -6.191 1.00 0.00 C ATOM 911 CD1 PHE A 60 14.455 -11.781 -7.283 1.00 0.00 C ATOM 912 CD2 PHE A 60 15.646 -11.024 -5.361 1.00 0.00 C ATOM 913 CE1 PHE A 60 15.453 -12.702 -7.543 1.00 0.00 C ATOM 914 CE2 PHE A 60 16.647 -11.943 -5.616 1.00 0.00 C ATOM 915 CZ PHE A 60 16.549 -12.783 -6.708 1.00 0.00 C ATOM 0 H PHE A 60 13.326 -12.261 -4.827 1.00 0.00 H new ATOM 0 HA PHE A 60 11.721 -9.809 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.179 -9.439 -6.842 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.844 -9.163 -5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 60 13.599 -11.722 -7.939 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.727 -10.370 -4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 60 15.375 -13.357 -8.398 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.504 -12.004 -4.962 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.329 -13.502 -6.908 1.00 0.00 H new ATOM 925 N GLY A 61 10.318 -10.047 -6.724 1.00 0.00 N ATOM 926 CA GLY A 61 9.335 -10.330 -7.753 1.00 0.00 C ATOM 927 C GLY A 61 7.928 -10.430 -7.199 1.00 0.00 C ATOM 928 O GLY A 61 7.004 -10.841 -7.903 1.00 0.00 O ATOM 0 H GLY A 61 10.250 -9.117 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.369 -9.546 -8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.593 -11.265 -8.251 1.00 0.00 H new ATOM 932 N ILE A 62 7.764 -10.056 -5.935 1.00 0.00 N ATOM 933 CA ILE A 62 6.459 -10.106 -5.287 1.00 0.00 C ATOM 934 C ILE A 62 5.576 -8.947 -5.738 1.00 0.00 C ATOM 935 O ILE A 62 4.586 -9.144 -6.443 1.00 0.00 O ATOM 936 CB ILE A 62 6.590 -10.070 -3.753 1.00 0.00 C ATOM 937 CG1 ILE A 62 7.698 -11.019 -3.292 1.00 0.00 C ATOM 938 CG2 ILE A 62 5.266 -10.435 -3.099 1.00 0.00 C ATOM 939 CD1 ILE A 62 7.343 -12.481 -3.445 1.00 0.00 C ATOM 0 H ILE A 62 8.518 -9.715 -5.339 1.00 0.00 H new ATOM 0 HA ILE A 62 5.997 -11.048 -5.582 1.00 0.00 H new ATOM 0 HB ILE A 62 6.855 -9.057 -3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.604 -10.812 -3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.927 -10.816 -2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.375 -10.405 -2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.500 -9.723 -3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.973 -11.439 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.174 -13.095 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.456 -12.704 -2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.143 -12.699 -4.494 1.00 0.00 H new ATOM 951 N PHE A 63 5.943 -7.737 -5.328 1.00 0.00 N ATOM 952 CA PHE A 63 5.185 -6.545 -5.690 1.00 0.00 C ATOM 953 C PHE A 63 5.907 -5.750 -6.774 1.00 0.00 C ATOM 954 O PHE A 63 7.136 -5.762 -6.853 1.00 0.00 O ATOM 955 CB PHE A 63 4.960 -5.664 -4.459 1.00 0.00 C ATOM 956 CG PHE A 63 4.322 -6.392 -3.310 1.00 0.00 C ATOM 957 CD1 PHE A 63 2.980 -6.734 -3.349 1.00 0.00 C ATOM 958 CD2 PHE A 63 5.065 -6.734 -2.192 1.00 0.00 C ATOM 959 CE1 PHE A 63 2.391 -7.402 -2.292 1.00 0.00 C ATOM 960 CE2 PHE A 63 4.482 -7.403 -1.133 1.00 0.00 C ATOM 961 CZ PHE A 63 3.143 -7.738 -1.183 1.00 0.00 C ATOM 0 H PHE A 63 6.760 -7.556 -4.745 1.00 0.00 H new ATOM 0 HA PHE A 63 4.219 -6.864 -6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 63 5.917 -5.256 -4.134 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.331 -4.818 -4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.388 -6.476 -4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.112 -6.475 -2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.343 -7.661 -2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.073 -7.664 -0.267 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.685 -8.261 -0.357 1.00 0.00 H new ATOM 971 N VAL A 64 5.135 -5.059 -7.607 1.00 0.00 N ATOM 972 CA VAL A 64 5.700 -4.257 -8.686 1.00 0.00 C ATOM 973 C VAL A 64 5.141 -2.839 -8.667 1.00 0.00 C ATOM 974 O VAL A 64 3.934 -2.638 -8.531 1.00 0.00 O ATOM 975 CB VAL A 64 5.419 -4.890 -10.062 1.00 0.00 C ATOM 976 CG1 VAL A 64 6.036 -6.278 -10.148 1.00 0.00 C ATOM 977 CG2 VAL A 64 3.922 -4.946 -10.326 1.00 0.00 C ATOM 0 H VAL A 64 4.117 -5.038 -7.555 1.00 0.00 H new ATOM 0 HA VAL A 64 6.777 -4.222 -8.524 1.00 0.00 H new ATOM 0 HB VAL A 64 5.878 -4.267 -10.830 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.827 -6.709 -11.127 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.114 -6.206 -10.006 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.609 -6.914 -9.373 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.741 -5.396 -11.302 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.439 -5.546 -9.555 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.512 -3.936 -10.310 1.00 0.00 H new ATOM 987 N PHE A 65 6.027 -1.858 -8.805 1.00 0.00 N ATOM 988 CA PHE A 65 5.622 -0.457 -8.803 1.00 0.00 C ATOM 989 C PHE A 65 6.102 0.249 -10.068 1.00 0.00 C ATOM 990 O PHE A 65 7.120 -0.123 -10.651 1.00 0.00 O ATOM 991 CB PHE A 65 6.177 0.254 -7.567 1.00 0.00 C ATOM 992 CG PHE A 65 7.592 0.728 -7.733 1.00 0.00 C ATOM 993 CD1 PHE A 65 7.861 1.970 -8.284 1.00 0.00 C ATOM 994 CD2 PHE A 65 8.654 -0.069 -7.338 1.00 0.00 C ATOM 995 CE1 PHE A 65 9.163 2.410 -8.438 1.00 0.00 C ATOM 996 CE2 PHE A 65 9.958 0.365 -7.488 1.00 0.00 C ATOM 997 CZ PHE A 65 10.212 1.605 -8.040 1.00 0.00 C ATOM 0 H PHE A 65 7.029 -2.007 -8.920 1.00 0.00 H new ATOM 0 HA PHE A 65 4.533 -0.419 -8.777 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.541 1.108 -7.333 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.127 -0.424 -6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.044 2.603 -8.597 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.461 -1.041 -6.908 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.359 3.381 -8.869 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.777 -0.265 -7.174 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.230 1.945 -8.160 1.00 0.00 H new ATOM 1007 N ASN A 66 5.360 1.268 -10.487 1.00 0.00 N ATOM 1008 CA ASN A 66 5.708 2.026 -11.684 1.00 0.00 C ATOM 1009 C ASN A 66 5.593 3.526 -11.430 1.00 0.00 C ATOM 1010 O ASN A 66 4.888 3.961 -10.519 1.00 0.00 O ATOM 1011 CB ASN A 66 4.801 1.624 -12.849 1.00 0.00 C ATOM 1012 CG ASN A 66 5.136 0.249 -13.394 1.00 0.00 C ATOM 1013 OD1 ASN A 66 5.992 0.106 -14.266 1.00 0.00 O ATOM 1014 ND2 ASN A 66 4.459 -0.771 -12.880 1.00 0.00 N ATOM 0 H ASN A 66 4.514 1.588 -10.016 1.00 0.00 H new ATOM 0 HA ASN A 66 6.742 1.797 -11.941 1.00 0.00 H new ATOM 0 HB2 ASN A 66 3.762 1.638 -12.519 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.892 2.360 -13.647 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.640 -1.720 -13.207 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.758 -0.606 -12.158 1.00 0.00 H new ATOM 1021 N LYS A 67 6.291 4.313 -12.242 1.00 0.00 N ATOM 1022 CA LYS A 67 6.267 5.765 -12.108 1.00 0.00 C ATOM 1023 C LYS A 67 5.363 6.394 -13.163 1.00 0.00 C ATOM 1024 O LYS A 67 5.019 7.573 -13.077 1.00 0.00 O ATOM 1025 CB LYS A 67 7.683 6.332 -12.231 1.00 0.00 C ATOM 1026 CG LYS A 67 8.281 6.179 -13.619 1.00 0.00 C ATOM 1027 CD LYS A 67 9.519 7.043 -13.792 1.00 0.00 C ATOM 1028 CE LYS A 67 10.405 6.530 -14.917 1.00 0.00 C ATOM 1029 NZ LYS A 67 9.821 6.817 -16.257 1.00 0.00 N ATOM 0 H LYS A 67 6.881 3.969 -13.000 1.00 0.00 H new ATOM 0 HA LYS A 67 5.869 6.008 -11.123 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.666 7.389 -11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.329 5.833 -11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.539 5.134 -13.792 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.538 6.452 -14.368 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.221 8.070 -14.002 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.085 7.060 -12.861 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.390 6.992 -14.843 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.548 5.455 -14.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.454 6.452 -16.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.892 6.355 -16.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.708 7.844 -16.374 1.00 0.00 H new ATOM 1043 N ASP A 68 4.980 5.600 -14.157 1.00 0.00 N ATOM 1044 CA ASP A 68 4.113 6.078 -15.227 1.00 0.00 C ATOM 1045 C ASP A 68 2.655 6.095 -14.779 1.00 0.00 C ATOM 1046 O ASP A 68 2.024 7.151 -14.719 1.00 0.00 O ATOM 1047 CB ASP A 68 4.267 5.199 -16.469 1.00 0.00 C ATOM 1048 CG ASP A 68 5.440 5.618 -17.333 1.00 0.00 C ATOM 1049 OD1 ASP A 68 5.354 6.688 -17.971 1.00 0.00 O ATOM 1050 OD2 ASP A 68 6.444 4.876 -17.372 1.00 0.00 O ATOM 0 H ASP A 68 5.257 4.622 -14.244 1.00 0.00 H new ATOM 0 HA ASP A 68 4.411 7.097 -15.473 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.398 4.161 -16.162 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.351 5.244 -17.058 1.00 0.00 H new ATOM 1055 N THR A 69 2.123 4.917 -14.466 1.00 0.00 N ATOM 1056 CA THR A 69 0.739 4.796 -14.026 1.00 0.00 C ATOM 1057 C THR A 69 0.617 5.034 -12.525 1.00 0.00 C ATOM 1058 O THR A 69 -0.374 5.590 -12.054 1.00 0.00 O ATOM 1059 CB THR A 69 0.162 3.408 -14.362 1.00 0.00 C ATOM 1060 OG1 THR A 69 -1.058 3.197 -13.643 1.00 0.00 O ATOM 1061 CG2 THR A 69 1.157 2.310 -14.017 1.00 0.00 C ATOM 0 H THR A 69 2.630 4.033 -14.509 1.00 0.00 H new ATOM 0 HA THR A 69 0.170 5.557 -14.560 1.00 0.00 H new ATOM 0 HB THR A 69 -0.038 3.372 -15.433 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.419 2.313 -13.863 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.727 1.339 -14.263 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.073 2.457 -14.589 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.384 2.347 -12.952 1.00 0.00 H new ATOM 1069 N GLY A 70 1.632 4.610 -11.778 1.00 0.00 N ATOM 1070 CA GLY A 70 1.618 4.788 -10.338 1.00 0.00 C ATOM 1071 C GLY A 70 0.599 3.898 -9.654 1.00 0.00 C ATOM 1072 O GLY A 70 -0.541 4.307 -9.433 1.00 0.00 O ATOM 0 H GLY A 70 2.463 4.147 -12.144 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.609 4.574 -9.939 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.400 5.830 -10.106 1.00 0.00 H new ATOM 1076 N GLU A 71 1.009 2.679 -9.321 1.00 0.00 N ATOM 1077 CA GLU A 71 0.121 1.729 -8.661 1.00 0.00 C ATOM 1078 C GLU A 71 0.886 0.483 -8.222 1.00 0.00 C ATOM 1079 O GLU A 71 1.862 0.085 -8.858 1.00 0.00 O ATOM 1080 CB GLU A 71 -1.026 1.335 -9.594 1.00 0.00 C ATOM 1081 CG GLU A 71 -0.560 0.729 -10.908 1.00 0.00 C ATOM 1082 CD GLU A 71 -1.649 -0.066 -11.602 1.00 0.00 C ATOM 1083 OE1 GLU A 71 -2.469 -0.690 -10.898 1.00 0.00 O ATOM 1084 OE2 GLU A 71 -1.679 -0.064 -12.851 1.00 0.00 O ATOM 0 H GLU A 71 1.950 2.326 -9.497 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.291 2.212 -7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.671 0.620 -9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.631 2.217 -9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.218 1.525 -11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.296 0.080 -10.721 1.00 0.00 H new ATOM 1091 N LEU A 72 0.435 -0.127 -7.132 1.00 0.00 N ATOM 1092 CA LEU A 72 1.077 -1.327 -6.606 1.00 0.00 C ATOM 1093 C LEU A 72 0.253 -2.570 -6.929 1.00 0.00 C ATOM 1094 O LEU A 72 -0.784 -2.816 -6.315 1.00 0.00 O ATOM 1095 CB LEU A 72 1.268 -1.207 -5.094 1.00 0.00 C ATOM 1096 CG LEU A 72 2.442 -1.988 -4.501 1.00 0.00 C ATOM 1097 CD1 LEU A 72 3.760 -1.476 -5.060 1.00 0.00 C ATOM 1098 CD2 LEU A 72 2.432 -1.895 -2.982 1.00 0.00 C ATOM 0 H LEU A 72 -0.373 0.189 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 72 2.053 -1.426 -7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.397 -0.153 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.352 -1.539 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 72 2.335 -3.036 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.584 -2.043 -4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.767 -1.596 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.876 -0.421 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.274 -2.456 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.514 -0.851 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.501 -2.311 -2.598 1.00 0.00 H new ATOM 1110 N ASN A 73 0.724 -3.351 -7.896 1.00 0.00 N ATOM 1111 CA ASN A 73 0.032 -4.570 -8.299 1.00 0.00 C ATOM 1112 C ASN A 73 0.851 -5.806 -7.938 1.00 0.00 C ATOM 1113 O ASN A 73 1.881 -6.083 -8.553 1.00 0.00 O ATOM 1114 CB ASN A 73 -0.245 -4.550 -9.804 1.00 0.00 C ATOM 1115 CG ASN A 73 -0.337 -5.944 -10.393 1.00 0.00 C ATOM 1116 OD1 ASN A 73 -0.709 -6.897 -9.708 1.00 0.00 O ATOM 1117 ND2 ASN A 73 0.003 -6.070 -11.671 1.00 0.00 N ATOM 0 H ASN A 73 1.582 -3.162 -8.415 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.915 -4.614 -7.762 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.177 -4.017 -9.992 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.547 -3.997 -10.309 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.039 -6.984 -12.122 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.306 -5.253 -12.201 1.00 0.00 H new ATOM 1124 N VAL A 74 0.386 -6.545 -6.936 1.00 0.00 N ATOM 1125 CA VAL A 74 1.074 -7.753 -6.494 1.00 0.00 C ATOM 1126 C VAL A 74 0.968 -8.859 -7.538 1.00 0.00 C ATOM 1127 O VAL A 74 -0.127 -9.220 -7.969 1.00 0.00 O ATOM 1128 CB VAL A 74 0.503 -8.266 -5.158 1.00 0.00 C ATOM 1129 CG1 VAL A 74 -0.953 -8.673 -5.321 1.00 0.00 C ATOM 1130 CG2 VAL A 74 1.335 -9.427 -4.636 1.00 0.00 C ATOM 0 H VAL A 74 -0.464 -6.329 -6.415 1.00 0.00 H new ATOM 0 HA VAL A 74 2.122 -7.488 -6.355 1.00 0.00 H new ATOM 0 HB VAL A 74 0.549 -7.458 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.339 -9.033 -4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.537 -7.813 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.028 -9.466 -6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.918 -9.778 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.322 -10.240 -5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.362 -9.097 -4.479 1.00 0.00 H new ATOM 1140 N THR A 75 2.116 -9.395 -7.941 1.00 0.00 N ATOM 1141 CA THR A 75 2.154 -10.461 -8.935 1.00 0.00 C ATOM 1142 C THR A 75 2.649 -11.766 -8.323 1.00 0.00 C ATOM 1143 O THR A 75 3.382 -12.523 -8.960 1.00 0.00 O ATOM 1144 CB THR A 75 3.060 -10.088 -10.124 1.00 0.00 C ATOM 1145 OG1 THR A 75 4.412 -9.934 -9.680 1.00 0.00 O ATOM 1146 CG2 THR A 75 2.587 -8.800 -10.782 1.00 0.00 C ATOM 0 H THR A 75 3.032 -9.108 -7.594 1.00 0.00 H new ATOM 0 HA THR A 75 1.133 -10.596 -9.294 1.00 0.00 H new ATOM 0 HB THR A 75 3.008 -10.892 -10.858 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.982 -9.698 -10.442 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.242 -8.557 -11.619 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.568 -8.930 -11.145 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.612 -7.989 -10.054 1.00 0.00 H new ATOM 1154 N SER A 76 2.243 -12.025 -7.084 1.00 0.00 N ATOM 1155 CA SER A 76 2.649 -13.239 -6.385 1.00 0.00 C ATOM 1156 C SER A 76 1.732 -13.513 -5.197 1.00 0.00 C ATOM 1157 O SER A 76 1.062 -12.610 -4.694 1.00 0.00 O ATOM 1158 CB SER A 76 4.098 -13.118 -5.909 1.00 0.00 C ATOM 1159 OG SER A 76 5.005 -13.388 -6.963 1.00 0.00 O ATOM 0 H SER A 76 1.634 -11.411 -6.544 1.00 0.00 H new ATOM 0 HA SER A 76 2.572 -14.074 -7.082 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.274 -12.115 -5.522 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.273 -13.812 -5.087 1.00 0.00 H new ATOM 0 HG SER A 76 4.550 -13.275 -7.823 1.00 0.00 H new ATOM 1165 N ILE A 77 1.708 -14.765 -4.753 1.00 0.00 N ATOM 1166 CA ILE A 77 0.875 -15.159 -3.624 1.00 0.00 C ATOM 1167 C ILE A 77 1.681 -15.188 -2.330 1.00 0.00 C ATOM 1168 O ILE A 77 2.465 -16.108 -2.094 1.00 0.00 O ATOM 1169 CB ILE A 77 0.238 -16.543 -3.850 1.00 0.00 C ATOM 1170 CG1 ILE A 77 -0.404 -16.613 -5.237 1.00 0.00 C ATOM 1171 CG2 ILE A 77 -0.792 -16.835 -2.768 1.00 0.00 C ATOM 1172 CD1 ILE A 77 -1.360 -15.475 -5.518 1.00 0.00 C ATOM 0 H ILE A 77 2.256 -15.524 -5.158 1.00 0.00 H new ATOM 0 HA ILE A 77 0.084 -14.414 -3.540 1.00 0.00 H new ATOM 0 HB ILE A 77 1.020 -17.300 -3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.382 -16.612 -5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.938 -17.558 -5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.233 -17.816 -2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.308 -16.822 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.574 -16.076 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.777 -15.589 -6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.166 -15.488 -4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.826 -14.527 -5.454 1.00 0.00 H new ATOM 1184 N LEU A 78 1.482 -14.176 -1.493 1.00 0.00 N ATOM 1185 CA LEU A 78 2.189 -14.085 -0.220 1.00 0.00 C ATOM 1186 C LEU A 78 2.053 -15.382 0.572 1.00 0.00 C ATOM 1187 O LEU A 78 1.091 -16.130 0.397 1.00 0.00 O ATOM 1188 CB LEU A 78 1.651 -12.913 0.603 1.00 0.00 C ATOM 1189 CG LEU A 78 1.637 -11.553 -0.096 1.00 0.00 C ATOM 1190 CD1 LEU A 78 0.836 -10.546 0.714 1.00 0.00 C ATOM 1191 CD2 LEU A 78 3.057 -11.053 -0.319 1.00 0.00 C ATOM 0 H LEU A 78 0.837 -13.407 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 78 3.245 -13.918 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.633 -13.150 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.249 -12.827 1.510 1.00 0.00 H new ATOM 0 HG LEU A 78 1.158 -11.670 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.837 -9.584 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.190 -10.899 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.286 -10.432 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.028 -10.084 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.562 -10.952 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.600 -11.765 -0.941 1.00 0.00 H new ATOM 1203 N ASP A 79 3.021 -15.641 1.444 1.00 0.00 N ATOM 1204 CA ASP A 79 3.008 -16.845 2.266 1.00 0.00 C ATOM 1205 C ASP A 79 3.319 -16.513 3.722 1.00 0.00 C ATOM 1206 O ASP A 79 4.479 -16.509 4.134 1.00 0.00 O ATOM 1207 CB ASP A 79 4.020 -17.862 1.734 1.00 0.00 C ATOM 1208 CG ASP A 79 5.256 -17.201 1.157 1.00 0.00 C ATOM 1209 OD1 ASP A 79 5.644 -16.126 1.662 1.00 0.00 O ATOM 1210 OD2 ASP A 79 5.836 -17.757 0.201 1.00 0.00 O ATOM 0 H ASP A 79 3.825 -15.033 1.600 1.00 0.00 H new ATOM 0 HA ASP A 79 2.009 -17.278 2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.314 -18.534 2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.547 -18.474 0.966 1.00 0.00 H new ATOM 1215 N ARG A 80 2.275 -16.234 4.495 1.00 0.00 N ATOM 1216 CA ARG A 80 2.437 -15.898 5.905 1.00 0.00 C ATOM 1217 C ARG A 80 3.520 -16.759 6.548 1.00 0.00 C ATOM 1218 O ARG A 80 4.388 -16.253 7.258 1.00 0.00 O ATOM 1219 CB ARG A 80 1.114 -16.084 6.650 1.00 0.00 C ATOM 1220 CG ARG A 80 1.170 -15.655 8.108 1.00 0.00 C ATOM 1221 CD ARG A 80 -0.035 -16.161 8.884 1.00 0.00 C ATOM 1222 NE ARG A 80 0.161 -17.523 9.374 1.00 0.00 N ATOM 1223 CZ ARG A 80 -0.511 -18.040 10.396 1.00 0.00 C ATOM 1224 NH1 ARG A 80 -1.419 -17.314 11.033 1.00 0.00 N ATOM 1225 NH2 ARG A 80 -0.276 -19.288 10.783 1.00 0.00 N ATOM 0 H ARG A 80 1.308 -16.234 4.169 1.00 0.00 H new ATOM 0 HA ARG A 80 2.740 -14.853 5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.337 -15.513 6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.823 -17.133 6.600 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.084 -16.034 8.565 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.212 -14.567 8.167 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.228 -15.497 9.727 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.917 -16.129 8.245 1.00 0.00 H new ATOM 0 HE ARG A 80 0.852 -18.109 8.905 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.603 -16.355 10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.933 -17.714 11.818 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.421 -19.850 10.295 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.793 -19.684 11.568 1.00 0.00 H new ATOM 1239 N GLU A 81 3.461 -18.063 6.294 1.00 0.00 N ATOM 1240 CA GLU A 81 4.437 -18.993 6.850 1.00 0.00 C ATOM 1241 C GLU A 81 5.856 -18.461 6.677 1.00 0.00 C ATOM 1242 O GLU A 81 6.674 -18.537 7.593 1.00 0.00 O ATOM 1243 CB GLU A 81 4.308 -20.363 6.180 1.00 0.00 C ATOM 1244 CG GLU A 81 4.540 -20.330 4.678 1.00 0.00 C ATOM 1245 CD GLU A 81 4.398 -21.696 4.036 1.00 0.00 C ATOM 1246 OE1 GLU A 81 3.435 -22.414 4.378 1.00 0.00 O ATOM 1247 OE2 GLU A 81 5.248 -22.046 3.191 1.00 0.00 O ATOM 0 H GLU A 81 2.749 -18.498 5.708 1.00 0.00 H new ATOM 0 HA GLU A 81 4.235 -19.097 7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.023 -21.049 6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.313 -20.762 6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.830 -19.642 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.538 -19.940 4.477 1.00 0.00 H new ATOM 1254 N GLU A 82 6.140 -17.924 5.494 1.00 0.00 N ATOM 1255 CA GLU A 82 7.461 -17.381 5.200 1.00 0.00 C ATOM 1256 C GLU A 82 7.526 -15.894 5.539 1.00 0.00 C ATOM 1257 O GLU A 82 8.252 -15.483 6.445 1.00 0.00 O ATOM 1258 CB GLU A 82 7.808 -17.595 3.726 1.00 0.00 C ATOM 1259 CG GLU A 82 9.292 -17.462 3.424 1.00 0.00 C ATOM 1260 CD GLU A 82 10.050 -18.756 3.647 1.00 0.00 C ATOM 1261 OE1 GLU A 82 9.703 -19.767 3.001 1.00 0.00 O ATOM 1262 OE2 GLU A 82 10.991 -18.757 4.469 1.00 0.00 O ATOM 0 H GLU A 82 5.474 -17.854 4.725 1.00 0.00 H new ATOM 0 HA GLU A 82 8.188 -17.909 5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.472 -18.586 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.257 -16.873 3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.421 -17.143 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.719 -16.682 4.054 1.00 0.00 H new ATOM 1269 N THR A 83 6.761 -15.092 4.805 1.00 0.00 N ATOM 1270 CA THR A 83 6.732 -13.652 5.025 1.00 0.00 C ATOM 1271 C THR A 83 5.507 -13.244 5.835 1.00 0.00 C ATOM 1272 O THR A 83 4.400 -13.118 5.310 1.00 0.00 O ATOM 1273 CB THR A 83 6.733 -12.880 3.692 1.00 0.00 C ATOM 1274 OG1 THR A 83 5.745 -13.423 2.810 1.00 0.00 O ATOM 1275 CG2 THR A 83 8.101 -12.944 3.030 1.00 0.00 C ATOM 0 H THR A 83 6.153 -15.416 4.053 1.00 0.00 H new ATOM 0 HA THR A 83 7.633 -13.399 5.583 1.00 0.00 H new ATOM 0 HB THR A 83 6.497 -11.837 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.272 -12.693 2.359 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.077 -12.392 2.091 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.846 -12.502 3.691 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.362 -13.984 2.833 1.00 0.00 H new ATOM 1283 N PRO A 84 5.706 -13.031 7.144 1.00 0.00 N ATOM 1284 CA PRO A 84 4.627 -12.633 8.054 1.00 0.00 C ATOM 1285 C PRO A 84 4.147 -11.209 7.795 1.00 0.00 C ATOM 1286 O PRO A 84 3.061 -10.821 8.227 1.00 0.00 O ATOM 1287 CB PRO A 84 5.274 -12.736 9.437 1.00 0.00 C ATOM 1288 CG PRO A 84 6.732 -12.558 9.188 1.00 0.00 C ATOM 1289 CD PRO A 84 6.998 -13.163 7.837 1.00 0.00 C ATOM 0 HA PRO A 84 3.742 -13.258 7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.891 -11.970 10.111 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.066 -13.701 9.900 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.005 -11.503 9.204 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.323 -13.051 9.960 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.793 -12.635 7.310 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.306 -14.205 7.917 1.00 0.00 H new ATOM 1297 N PHE A 85 4.963 -10.433 7.089 1.00 0.00 N ATOM 1298 CA PHE A 85 4.621 -9.051 6.773 1.00 0.00 C ATOM 1299 C PHE A 85 5.637 -8.447 5.808 1.00 0.00 C ATOM 1300 O PHE A 85 6.785 -8.887 5.741 1.00 0.00 O ATOM 1301 CB PHE A 85 4.556 -8.215 8.053 1.00 0.00 C ATOM 1302 CG PHE A 85 5.752 -8.390 8.944 1.00 0.00 C ATOM 1303 CD1 PHE A 85 6.992 -7.901 8.566 1.00 0.00 C ATOM 1304 CD2 PHE A 85 5.636 -9.044 10.161 1.00 0.00 C ATOM 1305 CE1 PHE A 85 8.095 -8.060 9.385 1.00 0.00 C ATOM 1306 CE2 PHE A 85 6.735 -9.205 10.983 1.00 0.00 C ATOM 1307 CZ PHE A 85 7.966 -8.714 10.595 1.00 0.00 C ATOM 0 H PHE A 85 5.866 -10.738 6.725 1.00 0.00 H new ATOM 0 HA PHE A 85 3.642 -9.045 6.293 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.463 -7.162 7.786 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.657 -8.484 8.608 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.098 -7.390 7.621 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.676 -9.432 10.470 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.056 -7.673 9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.631 -9.715 11.929 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.826 -8.841 11.236 1.00 0.00 H new ATOM 1317 N PHE A 86 5.205 -7.436 5.061 1.00 0.00 N ATOM 1318 CA PHE A 86 6.075 -6.771 4.098 1.00 0.00 C ATOM 1319 C PHE A 86 6.125 -5.268 4.357 1.00 0.00 C ATOM 1320 O PHE A 86 5.233 -4.525 3.943 1.00 0.00 O ATOM 1321 CB PHE A 86 5.590 -7.038 2.671 1.00 0.00 C ATOM 1322 CG PHE A 86 5.800 -8.456 2.223 1.00 0.00 C ATOM 1323 CD1 PHE A 86 7.034 -8.871 1.749 1.00 0.00 C ATOM 1324 CD2 PHE A 86 4.763 -9.374 2.274 1.00 0.00 C ATOM 1325 CE1 PHE A 86 7.231 -10.176 1.336 1.00 0.00 C ATOM 1326 CE2 PHE A 86 4.954 -10.679 1.862 1.00 0.00 C ATOM 1327 CZ PHE A 86 6.189 -11.080 1.391 1.00 0.00 C ATOM 0 H PHE A 86 4.258 -7.060 5.104 1.00 0.00 H new ATOM 0 HA PHE A 86 7.080 -7.176 4.215 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.529 -6.798 2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.111 -6.368 1.987 1.00 0.00 H new ATOM 0 HD1 PHE A 86 7.852 -8.167 1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.795 -9.066 2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.199 -10.488 0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.138 -11.385 1.908 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.339 -12.099 1.066 1.00 0.00 H new ATOM 1337 N LEU A 87 7.172 -4.827 5.044 1.00 0.00 N ATOM 1338 CA LEU A 87 7.340 -3.412 5.360 1.00 0.00 C ATOM 1339 C LEU A 87 7.983 -2.667 4.195 1.00 0.00 C ATOM 1340 O LEU A 87 9.142 -2.905 3.855 1.00 0.00 O ATOM 1341 CB LEU A 87 8.193 -3.248 6.619 1.00 0.00 C ATOM 1342 CG LEU A 87 7.434 -3.221 7.946 1.00 0.00 C ATOM 1343 CD1 LEU A 87 8.386 -3.449 9.110 1.00 0.00 C ATOM 1344 CD2 LEU A 87 6.695 -1.901 8.110 1.00 0.00 C ATOM 0 H LEU A 87 7.918 -5.428 5.393 1.00 0.00 H new ATOM 0 HA LEU A 87 6.353 -2.985 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.915 -4.064 6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.762 -2.322 6.530 1.00 0.00 H new ATOM 0 HG LEU A 87 6.701 -4.027 7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.828 -3.426 10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.870 -4.419 8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.143 -2.665 9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.160 -1.899 9.060 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.411 -1.079 8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.984 -1.778 7.293 1.00 0.00 H new ATOM 1356 N LEU A 88 7.223 -1.762 3.587 1.00 0.00 N ATOM 1357 CA LEU A 88 7.719 -0.979 2.461 1.00 0.00 C ATOM 1358 C LEU A 88 7.813 0.499 2.825 1.00 0.00 C ATOM 1359 O LEU A 88 7.480 0.898 3.941 1.00 0.00 O ATOM 1360 CB LEU A 88 6.806 -1.160 1.247 1.00 0.00 C ATOM 1361 CG LEU A 88 6.439 -2.602 0.892 1.00 0.00 C ATOM 1362 CD1 LEU A 88 5.357 -2.630 -0.176 1.00 0.00 C ATOM 1363 CD2 LEU A 88 7.670 -3.367 0.428 1.00 0.00 C ATOM 0 H LEU A 88 6.261 -1.553 3.855 1.00 0.00 H new ATOM 0 HA LEU A 88 8.718 -1.337 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.885 -0.605 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.290 -0.706 0.382 1.00 0.00 H new ATOM 0 HG LEU A 88 6.050 -3.088 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.109 -3.664 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.468 -2.120 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.718 -2.126 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.390 -4.391 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.089 -2.882 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.414 -3.377 1.225 1.00 0.00 H new ATOM 1375 N THR A 89 8.266 1.310 1.874 1.00 0.00 N ATOM 1376 CA THR A 89 8.403 2.745 2.093 1.00 0.00 C ATOM 1377 C THR A 89 8.177 3.522 0.802 1.00 0.00 C ATOM 1378 O THR A 89 8.935 3.384 -0.158 1.00 0.00 O ATOM 1379 CB THR A 89 9.793 3.097 2.656 1.00 0.00 C ATOM 1380 OG1 THR A 89 9.944 2.545 3.968 1.00 0.00 O ATOM 1381 CG2 THR A 89 9.989 4.605 2.708 1.00 0.00 C ATOM 0 H THR A 89 8.544 0.997 0.944 1.00 0.00 H new ATOM 0 HA THR A 89 7.643 3.028 2.821 1.00 0.00 H new ATOM 0 HB THR A 89 10.548 2.671 1.995 1.00 0.00 H new ATOM 0 HG1 THR A 89 10.831 2.772 4.318 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.977 4.830 3.109 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.902 5.018 1.703 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.228 5.049 3.350 1.00 0.00 H new ATOM 1389 N GLY A 90 7.130 4.341 0.784 1.00 0.00 N ATOM 1390 CA GLY A 90 6.824 5.130 -0.395 1.00 0.00 C ATOM 1391 C GLY A 90 7.579 6.444 -0.426 1.00 0.00 C ATOM 1392 O GLY A 90 7.229 7.386 0.286 1.00 0.00 O ATOM 0 H GLY A 90 6.488 4.472 1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.068 4.553 -1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.753 5.329 -0.427 1.00 0.00 H new ATOM 1396 N TYR A 91 8.619 6.508 -1.250 1.00 0.00 N ATOM 1397 CA TYR A 91 9.428 7.715 -1.367 1.00 0.00 C ATOM 1398 C TYR A 91 8.838 8.668 -2.402 1.00 0.00 C ATOM 1399 O TYR A 91 9.123 8.562 -3.594 1.00 0.00 O ATOM 1400 CB TYR A 91 10.865 7.356 -1.750 1.00 0.00 C ATOM 1401 CG TYR A 91 11.676 6.799 -0.601 1.00 0.00 C ATOM 1402 CD1 TYR A 91 12.273 7.643 0.327 1.00 0.00 C ATOM 1403 CD2 TYR A 91 11.845 5.429 -0.445 1.00 0.00 C ATOM 1404 CE1 TYR A 91 13.015 7.138 1.377 1.00 0.00 C ATOM 1405 CE2 TYR A 91 12.584 4.915 0.603 1.00 0.00 C ATOM 1406 CZ TYR A 91 13.168 5.774 1.511 1.00 0.00 C ATOM 1407 OH TYR A 91 13.906 5.267 2.556 1.00 0.00 O ATOM 0 H TYR A 91 8.921 5.738 -1.847 1.00 0.00 H new ATOM 0 HA TYR A 91 9.431 8.215 -0.398 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.845 6.625 -2.558 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.362 8.245 -2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.155 8.712 0.226 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.391 4.754 -1.155 1.00 0.00 H new ATOM 0 HE1 TYR A 91 13.473 7.808 2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.704 3.847 0.711 1.00 0.00 H new ATOM 0 HH TYR A 91 13.914 4.288 2.506 1.00 0.00 H new ATOM 1417 N ALA A 92 8.013 9.600 -1.936 1.00 0.00 N ATOM 1418 CA ALA A 92 7.384 10.575 -2.819 1.00 0.00 C ATOM 1419 C ALA A 92 8.369 11.666 -3.222 1.00 0.00 C ATOM 1420 O ALA A 92 8.479 12.695 -2.554 1.00 0.00 O ATOM 1421 CB ALA A 92 6.163 11.185 -2.146 1.00 0.00 C ATOM 0 H ALA A 92 7.765 9.700 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 92 7.066 10.057 -3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.703 11.911 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.444 10.399 -1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.466 11.683 -1.225 1.00 0.00 H new ATOM 1427 N LEU A 93 9.084 11.436 -4.318 1.00 0.00 N ATOM 1428 CA LEU A 93 10.062 12.400 -4.811 1.00 0.00 C ATOM 1429 C LEU A 93 9.503 13.187 -5.991 1.00 0.00 C ATOM 1430 O LEU A 93 8.508 12.791 -6.599 1.00 0.00 O ATOM 1431 CB LEU A 93 11.350 11.685 -5.223 1.00 0.00 C ATOM 1432 CG LEU A 93 11.738 10.466 -4.386 1.00 0.00 C ATOM 1433 CD1 LEU A 93 12.517 9.466 -5.228 1.00 0.00 C ATOM 1434 CD2 LEU A 93 12.550 10.890 -3.171 1.00 0.00 C ATOM 0 H LEU A 93 9.005 10.590 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 93 10.285 13.099 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.251 11.371 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.169 12.403 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 93 10.825 9.983 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.785 8.605 -4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.901 9.138 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.424 9.938 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.817 10.009 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.457 11.397 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.958 11.567 -2.556 1.00 0.00 H new ATOM 1446 N ASP A 94 10.150 14.301 -6.312 1.00 0.00 N ATOM 1447 CA ASP A 94 9.720 15.143 -7.423 1.00 0.00 C ATOM 1448 C ASP A 94 10.608 14.926 -8.645 1.00 0.00 C ATOM 1449 O ASP A 94 11.544 14.128 -8.610 1.00 0.00 O ATOM 1450 CB ASP A 94 9.745 16.616 -7.014 1.00 0.00 C ATOM 1451 CG ASP A 94 8.437 17.068 -6.396 1.00 0.00 C ATOM 1452 OD1 ASP A 94 7.697 16.206 -5.876 1.00 0.00 O ATOM 1453 OD2 ASP A 94 8.153 18.283 -6.431 1.00 0.00 O ATOM 0 H ASP A 94 10.975 14.643 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 94 8.699 14.864 -7.684 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.555 16.779 -6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.961 17.229 -7.889 1.00 0.00 H new ATOM 1458 N ALA A 95 10.306 15.641 -9.723 1.00 0.00 N ATOM 1459 CA ALA A 95 11.077 15.528 -10.955 1.00 0.00 C ATOM 1460 C ALA A 95 12.561 15.769 -10.699 1.00 0.00 C ATOM 1461 O ALA A 95 13.412 15.357 -11.487 1.00 0.00 O ATOM 1462 CB ALA A 95 10.554 16.505 -11.997 1.00 0.00 C ATOM 0 H ALA A 95 9.533 16.305 -9.768 1.00 0.00 H new ATOM 0 HA ALA A 95 10.961 14.513 -11.334 1.00 0.00 H new ATOM 0 HB1 ALA A 95 11.139 16.409 -12.912 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.508 16.284 -12.211 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.639 17.523 -11.617 1.00 0.00 H new ATOM 1468 N ARG A 96 12.864 16.439 -9.592 1.00 0.00 N ATOM 1469 CA ARG A 96 14.245 16.737 -9.233 1.00 0.00 C ATOM 1470 C ARG A 96 14.792 15.693 -8.263 1.00 0.00 C ATOM 1471 O ARG A 96 16.003 15.510 -8.150 1.00 0.00 O ATOM 1472 CB ARG A 96 14.343 18.130 -8.608 1.00 0.00 C ATOM 1473 CG ARG A 96 14.060 19.258 -9.587 1.00 0.00 C ATOM 1474 CD ARG A 96 15.245 19.509 -10.506 1.00 0.00 C ATOM 1475 NE ARG A 96 14.932 20.483 -11.548 1.00 0.00 N ATOM 1476 CZ ARG A 96 15.846 21.024 -12.346 1.00 0.00 C ATOM 1477 NH1 ARG A 96 17.123 20.688 -12.222 1.00 0.00 N ATOM 1478 NH2 ARG A 96 15.484 21.903 -13.272 1.00 0.00 N ATOM 0 H ARG A 96 12.171 16.786 -8.928 1.00 0.00 H new ATOM 0 HA ARG A 96 14.844 16.712 -10.143 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.640 18.196 -7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 96 15.342 18.263 -8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.182 19.012 -10.183 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.826 20.169 -9.036 1.00 0.00 H new ATOM 0 HD2 ARG A 96 16.091 19.866 -9.918 1.00 0.00 H new ATOM 0 HD3 ARG A 96 15.551 18.570 -10.967 1.00 0.00 H new ATOM 0 HE ARG A 96 13.959 20.763 -11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 96 17.406 20.012 -11.512 1.00 0.00 H new ATOM 0 HH12 ARG A 96 17.822 21.105 -12.836 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.503 22.164 -13.372 1.00 0.00 H new ATOM 0 HH22 ARG A 96 16.187 22.318 -13.884 1.00 0.00 H new ATOM 1492 N GLY A 97 13.889 15.012 -7.564 1.00 0.00 N ATOM 1493 CA GLY A 97 14.300 13.996 -6.613 1.00 0.00 C ATOM 1494 C GLY A 97 14.917 14.589 -5.361 1.00 0.00 C ATOM 1495 O GLY A 97 15.910 14.076 -4.848 1.00 0.00 O ATOM 0 H GLY A 97 12.881 15.146 -7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.437 13.391 -6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.019 13.328 -7.087 1.00 0.00 H new ATOM 1499 N ASN A 98 14.327 15.674 -4.870 1.00 0.00 N ATOM 1500 CA ASN A 98 14.827 16.340 -3.672 1.00 0.00 C ATOM 1501 C ASN A 98 14.007 15.944 -2.448 1.00 0.00 C ATOM 1502 O ASN A 98 14.116 16.561 -1.389 1.00 0.00 O ATOM 1503 CB ASN A 98 14.791 17.858 -3.854 1.00 0.00 C ATOM 1504 CG ASN A 98 16.031 18.387 -4.549 1.00 0.00 C ATOM 1505 OD1 ASN A 98 17.147 18.236 -4.051 1.00 0.00 O ATOM 1506 ND2 ASN A 98 15.841 19.011 -5.706 1.00 0.00 N ATOM 0 H ASN A 98 13.503 16.111 -5.283 1.00 0.00 H new ATOM 0 HA ASN A 98 15.858 16.024 -3.515 1.00 0.00 H new ATOM 0 HB2 ASN A 98 13.909 18.131 -4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.692 18.336 -2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 98 16.638 19.388 -6.219 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.898 19.113 -6.081 1.00 0.00 H new ATOM 1513 N ASN A 99 13.186 14.909 -2.602 1.00 0.00 N ATOM 1514 CA ASN A 99 12.348 14.430 -1.509 1.00 0.00 C ATOM 1515 C ASN A 99 11.493 15.560 -0.944 1.00 0.00 C ATOM 1516 O ASN A 99 11.384 15.723 0.272 1.00 0.00 O ATOM 1517 CB ASN A 99 13.213 13.828 -0.400 1.00 0.00 C ATOM 1518 CG ASN A 99 14.055 12.665 -0.891 1.00 0.00 C ATOM 1519 OD1 ASN A 99 15.032 12.960 -1.741 1.00 0.00 O flip ATOM 1520 ND2 ASN A 99 13.829 11.517 -0.511 1.00 0.00 N flip ATOM 0 H ASN A 99 13.084 14.387 -3.472 1.00 0.00 H new ATOM 0 HA ASN A 99 11.686 13.659 -1.904 1.00 0.00 H new ATOM 0 HB2 ASN A 99 13.866 14.600 0.007 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.572 13.491 0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.067 11.337 0.143 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.403 10.745 -0.850 1.00 0.00 H new ATOM 1527 N VAL A 100 10.886 16.339 -1.835 1.00 0.00 N ATOM 1528 CA VAL A 100 10.039 17.453 -1.426 1.00 0.00 C ATOM 1529 C VAL A 100 9.077 17.034 -0.320 1.00 0.00 C ATOM 1530 O VAL A 100 8.556 17.874 0.413 1.00 0.00 O ATOM 1531 CB VAL A 100 9.229 18.007 -2.613 1.00 0.00 C ATOM 1532 CG1 VAL A 100 10.145 18.311 -3.789 1.00 0.00 C ATOM 1533 CG2 VAL A 100 8.137 17.028 -3.016 1.00 0.00 C ATOM 0 H VAL A 100 10.966 16.219 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 100 10.701 18.234 -1.052 1.00 0.00 H new ATOM 0 HB VAL A 100 8.754 18.938 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 100 9.555 18.701 -4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.886 19.052 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 100 10.651 17.398 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.575 17.436 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.588 16.080 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.464 16.866 -2.174 1.00 0.00 H new ATOM 1543 N GLU A 101 8.846 15.730 -0.206 1.00 0.00 N ATOM 1544 CA GLU A 101 7.946 15.200 0.812 1.00 0.00 C ATOM 1545 C GLU A 101 8.524 13.938 1.446 1.00 0.00 C ATOM 1546 O GLU A 101 8.993 13.038 0.750 1.00 0.00 O ATOM 1547 CB GLU A 101 6.575 14.896 0.203 1.00 0.00 C ATOM 1548 CG GLU A 101 5.679 16.117 0.082 1.00 0.00 C ATOM 1549 CD GLU A 101 5.243 16.657 1.430 1.00 0.00 C ATOM 1550 OE1 GLU A 101 4.491 15.952 2.137 1.00 0.00 O ATOM 1551 OE2 GLU A 101 5.653 17.783 1.779 1.00 0.00 O ATOM 0 H GLU A 101 9.269 15.021 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 101 7.832 15.956 1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.715 14.459 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.073 14.147 0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.208 16.898 -0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.797 15.859 -0.504 1.00 0.00 H new ATOM 1558 N LYS A 102 8.487 13.880 2.773 1.00 0.00 N ATOM 1559 CA LYS A 102 9.005 12.730 3.504 1.00 0.00 C ATOM 1560 C LYS A 102 8.189 11.478 3.198 1.00 0.00 C ATOM 1561 O LYS A 102 6.971 11.528 3.030 1.00 0.00 O ATOM 1562 CB LYS A 102 8.990 13.006 5.009 1.00 0.00 C ATOM 1563 CG LYS A 102 7.684 12.623 5.684 1.00 0.00 C ATOM 1564 CD LYS A 102 7.675 13.026 7.149 1.00 0.00 C ATOM 1565 CE LYS A 102 7.130 14.434 7.336 1.00 0.00 C ATOM 1566 NZ LYS A 102 8.207 15.460 7.266 1.00 0.00 N ATOM 0 H LYS A 102 8.103 14.617 3.365 1.00 0.00 H new ATOM 0 HA LYS A 102 10.033 12.560 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.807 12.458 5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.179 14.066 5.178 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.852 13.103 5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.532 11.547 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.068 12.321 7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.687 12.970 7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.383 14.639 6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.625 14.503 8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.936 16.287 7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.092 15.060 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.346 15.751 6.277 1.00 0.00 H new ATOM 1580 N PRO A 103 8.874 10.327 3.125 1.00 0.00 N ATOM 1581 CA PRO A 103 8.232 9.040 2.841 1.00 0.00 C ATOM 1582 C PRO A 103 7.359 8.561 3.996 1.00 0.00 C ATOM 1583 O PRO A 103 7.454 9.071 5.113 1.00 0.00 O ATOM 1584 CB PRO A 103 9.416 8.091 2.635 1.00 0.00 C ATOM 1585 CG PRO A 103 10.533 8.707 3.405 1.00 0.00 C ATOM 1586 CD PRO A 103 10.329 10.194 3.314 1.00 0.00 C ATOM 0 HA PRO A 103 7.561 9.099 1.984 1.00 0.00 H new ATOM 0 HB2 PRO A 103 9.189 7.089 3.000 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.668 7.996 1.579 1.00 0.00 H new ATOM 0 HG2 PRO A 103 10.521 8.374 4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.499 8.420 2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.665 10.702 4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.884 10.626 2.481 1.00 0.00 H new ATOM 1594 N LEU A 104 6.510 7.577 3.720 1.00 0.00 N ATOM 1595 CA LEU A 104 5.620 7.028 4.737 1.00 0.00 C ATOM 1596 C LEU A 104 6.038 5.612 5.119 1.00 0.00 C ATOM 1597 O LEU A 104 6.924 5.027 4.497 1.00 0.00 O ATOM 1598 CB LEU A 104 4.176 7.027 4.231 1.00 0.00 C ATOM 1599 CG LEU A 104 3.905 6.197 2.976 1.00 0.00 C ATOM 1600 CD1 LEU A 104 3.922 4.712 3.304 1.00 0.00 C ATOM 1601 CD2 LEU A 104 2.574 6.591 2.353 1.00 0.00 C ATOM 0 H LEU A 104 6.419 7.143 2.801 1.00 0.00 H new ATOM 0 HA LEU A 104 5.688 7.658 5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.532 6.661 5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.881 8.057 4.031 1.00 0.00 H new ATOM 0 HG LEU A 104 4.696 6.398 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.727 4.137 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.898 4.439 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.153 4.494 4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.398 5.990 1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.772 6.420 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.598 7.646 2.081 1.00 0.00 H new ATOM 1613 N GLU A 105 5.392 5.066 6.145 1.00 0.00 N ATOM 1614 CA GLU A 105 5.696 3.718 6.608 1.00 0.00 C ATOM 1615 C GLU A 105 4.550 2.762 6.292 1.00 0.00 C ATOM 1616 O GLU A 105 3.671 2.532 7.124 1.00 0.00 O ATOM 1617 CB GLU A 105 5.971 3.722 8.114 1.00 0.00 C ATOM 1618 CG GLU A 105 6.630 2.448 8.616 1.00 0.00 C ATOM 1619 CD GLU A 105 6.827 2.446 10.119 1.00 0.00 C ATOM 1620 OE1 GLU A 105 5.815 2.471 10.850 1.00 0.00 O ATOM 1621 OE2 GLU A 105 7.994 2.420 10.564 1.00 0.00 O ATOM 0 H GLU A 105 4.655 5.537 6.671 1.00 0.00 H new ATOM 0 HA GLU A 105 6.588 3.374 6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.610 4.571 8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.031 3.869 8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.019 1.591 8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.596 2.326 8.127 1.00 0.00 H new ATOM 1628 N LEU A 106 4.565 2.208 5.085 1.00 0.00 N ATOM 1629 CA LEU A 106 3.527 1.276 4.657 1.00 0.00 C ATOM 1630 C LEU A 106 3.804 -0.128 5.185 1.00 0.00 C ATOM 1631 O LEU A 106 4.566 -0.887 4.587 1.00 0.00 O ATOM 1632 CB LEU A 106 3.434 1.251 3.131 1.00 0.00 C ATOM 1633 CG LEU A 106 2.469 0.226 2.534 1.00 0.00 C ATOM 1634 CD1 LEU A 106 1.033 0.713 2.651 1.00 0.00 C ATOM 1635 CD2 LEU A 106 2.822 -0.055 1.080 1.00 0.00 C ATOM 0 H LEU A 106 5.285 2.388 4.385 1.00 0.00 H new ATOM 0 HA LEU A 106 2.576 1.617 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.137 2.242 2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.429 1.060 2.729 1.00 0.00 H new ATOM 0 HG LEU A 106 2.563 -0.703 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.361 -0.029 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.784 0.863 3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.924 1.655 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.125 -0.787 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.757 0.869 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.837 -0.449 1.021 1.00 0.00 H new ATOM 1647 N ARG A 107 3.178 -0.467 6.307 1.00 0.00 N ATOM 1648 CA ARG A 107 3.357 -1.780 6.915 1.00 0.00 C ATOM 1649 C ARG A 107 2.283 -2.752 6.434 1.00 0.00 C ATOM 1650 O ARG A 107 1.118 -2.644 6.818 1.00 0.00 O ATOM 1651 CB ARG A 107 3.314 -1.670 8.440 1.00 0.00 C ATOM 1652 CG ARG A 107 1.954 -1.264 8.984 1.00 0.00 C ATOM 1653 CD ARG A 107 2.067 -0.667 10.378 1.00 0.00 C ATOM 1654 NE ARG A 107 2.002 -1.690 11.418 1.00 0.00 N ATOM 1655 CZ ARG A 107 3.049 -2.407 11.811 1.00 0.00 C ATOM 1656 NH1 ARG A 107 4.236 -2.212 11.254 1.00 0.00 N ATOM 1657 NH2 ARG A 107 2.910 -3.320 12.764 1.00 0.00 N ATOM 0 H ARG A 107 2.542 0.149 6.814 1.00 0.00 H new ATOM 0 HA ARG A 107 4.332 -2.163 6.613 1.00 0.00 H new ATOM 0 HB2 ARG A 107 3.597 -2.629 8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.058 -0.942 8.764 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.494 -0.539 8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.298 -2.134 9.012 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.007 -0.122 10.464 1.00 0.00 H new ATOM 0 HD3 ARG A 107 1.265 0.055 10.529 1.00 0.00 H new ATOM 0 HE ARG A 107 1.103 -1.864 11.868 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.347 -1.510 10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.039 -2.764 11.557 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.998 -3.472 13.196 1.00 0.00 H new ATOM 0 HH22 ARG A 107 3.715 -3.870 13.065 1.00 0.00 H new ATOM 1671 N ILE A 108 2.683 -3.699 5.592 1.00 0.00 N ATOM 1672 CA ILE A 108 1.756 -4.689 5.060 1.00 0.00 C ATOM 1673 C ILE A 108 1.742 -5.948 5.921 1.00 0.00 C ATOM 1674 O ILE A 108 2.738 -6.666 6.007 1.00 0.00 O ATOM 1675 CB ILE A 108 2.113 -5.075 3.613 1.00 0.00 C ATOM 1676 CG1 ILE A 108 1.829 -3.906 2.666 1.00 0.00 C ATOM 1677 CG2 ILE A 108 1.334 -6.310 3.186 1.00 0.00 C ATOM 1678 CD1 ILE A 108 2.073 -4.236 1.210 1.00 0.00 C ATOM 0 H ILE A 108 3.643 -3.801 5.264 1.00 0.00 H new ATOM 0 HA ILE A 108 0.766 -4.232 5.072 1.00 0.00 H new ATOM 0 HB ILE A 108 3.177 -5.307 3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.793 -3.592 2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.455 -3.060 2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.598 -6.570 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.580 -7.142 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.265 -6.104 3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.852 -3.362 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.116 -4.522 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.428 -5.062 0.911 1.00 0.00 H new ATOM 1690 N LYS A 109 0.605 -6.211 6.556 1.00 0.00 N ATOM 1691 CA LYS A 109 0.458 -7.385 7.408 1.00 0.00 C ATOM 1692 C LYS A 109 -0.219 -8.525 6.654 1.00 0.00 C ATOM 1693 O LYS A 109 -1.385 -8.421 6.269 1.00 0.00 O ATOM 1694 CB LYS A 109 -0.351 -7.035 8.659 1.00 0.00 C ATOM 1695 CG LYS A 109 -0.803 -8.250 9.451 1.00 0.00 C ATOM 1696 CD LYS A 109 -1.330 -7.858 10.821 1.00 0.00 C ATOM 1697 CE LYS A 109 -2.754 -7.332 10.741 1.00 0.00 C ATOM 1698 NZ LYS A 109 -3.056 -6.378 11.844 1.00 0.00 N ATOM 0 H LYS A 109 -0.229 -5.626 6.497 1.00 0.00 H new ATOM 0 HA LYS A 109 1.454 -7.712 7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.251 -6.395 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.227 -6.457 8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.581 -8.777 8.898 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.031 -8.942 9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.297 -8.721 11.485 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.684 -7.096 11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.905 -6.837 9.782 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.453 -8.168 10.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.036 -6.042 11.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.937 -6.857 12.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.406 -5.568 11.790 1.00 0.00 H new ATOM 1712 N VAL A 110 0.517 -9.611 6.446 1.00 0.00 N ATOM 1713 CA VAL A 110 -0.014 -10.771 5.739 1.00 0.00 C ATOM 1714 C VAL A 110 -0.929 -11.592 6.641 1.00 0.00 C ATOM 1715 O VAL A 110 -0.472 -12.237 7.586 1.00 0.00 O ATOM 1716 CB VAL A 110 1.117 -11.675 5.214 1.00 0.00 C ATOM 1717 CG1 VAL A 110 0.575 -12.678 4.207 1.00 0.00 C ATOM 1718 CG2 VAL A 110 2.227 -10.836 4.599 1.00 0.00 C ATOM 0 H VAL A 110 1.483 -9.713 6.757 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.587 -10.391 4.893 1.00 0.00 H new ATOM 0 HB VAL A 110 1.535 -12.230 6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 110 1.388 -13.308 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.182 -13.300 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 110 0.129 -12.145 3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 110 3.018 -11.491 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.826 -10.253 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 110 2.634 -10.162 5.353 1.00 0.00 H new ATOM 1728 N LEU A 111 -2.223 -11.565 6.343 1.00 0.00 N ATOM 1729 CA LEU A 111 -3.204 -12.308 7.126 1.00 0.00 C ATOM 1730 C LEU A 111 -3.220 -13.780 6.725 1.00 0.00 C ATOM 1731 O LEU A 111 -2.692 -14.154 5.678 1.00 0.00 O ATOM 1732 CB LEU A 111 -4.597 -11.703 6.942 1.00 0.00 C ATOM 1733 CG LEU A 111 -4.689 -10.181 7.060 1.00 0.00 C ATOM 1734 CD1 LEU A 111 -6.097 -9.705 6.742 1.00 0.00 C ATOM 1735 CD2 LEU A 111 -4.272 -9.728 8.452 1.00 0.00 C ATOM 0 H LEU A 111 -2.617 -11.037 5.565 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.920 -12.240 8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -4.971 -11.995 5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -5.264 -12.146 7.682 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.006 -9.738 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.143 -8.620 6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.359 -9.997 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.800 -10.157 7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.344 -8.642 8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.929 -10.181 9.194 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.244 -10.036 8.642 1.00 0.00 H new ATOM 1747 N ASP A 112 -3.829 -14.610 7.565 1.00 0.00 N ATOM 1748 CA ASP A 112 -3.917 -16.041 7.296 1.00 0.00 C ATOM 1749 C ASP A 112 -5.172 -16.367 6.494 1.00 0.00 C ATOM 1750 O ASP A 112 -6.192 -15.687 6.615 1.00 0.00 O ATOM 1751 CB ASP A 112 -3.915 -16.828 8.608 1.00 0.00 C ATOM 1752 CG ASP A 112 -4.614 -16.086 9.730 1.00 0.00 C ATOM 1753 OD1 ASP A 112 -4.082 -15.048 10.175 1.00 0.00 O ATOM 1754 OD2 ASP A 112 -5.692 -16.543 10.163 1.00 0.00 O ATOM 0 H ASP A 112 -4.269 -14.317 8.437 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.047 -16.330 6.706 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.404 -17.789 8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -2.886 -17.038 8.901 1.00 0.00 H new ATOM 1759 N ILE A 113 -5.091 -17.411 5.676 1.00 0.00 N ATOM 1760 CA ILE A 113 -6.221 -17.827 4.854 1.00 0.00 C ATOM 1761 C ILE A 113 -7.442 -18.133 5.714 1.00 0.00 C ATOM 1762 O ILE A 113 -8.575 -18.100 5.235 1.00 0.00 O ATOM 1763 CB ILE A 113 -5.876 -19.069 4.011 1.00 0.00 C ATOM 1764 CG1 ILE A 113 -6.919 -19.270 2.910 1.00 0.00 C ATOM 1765 CG2 ILE A 113 -5.788 -20.303 4.897 1.00 0.00 C ATOM 1766 CD1 ILE A 113 -6.962 -18.141 1.904 1.00 0.00 C ATOM 0 H ILE A 113 -4.255 -17.984 5.565 1.00 0.00 H new ATOM 0 HA ILE A 113 -6.449 -16.996 4.186 1.00 0.00 H new ATOM 0 HB ILE A 113 -4.905 -18.913 3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -6.709 -20.203 2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -7.903 -19.376 3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.544 -21.172 4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -5.012 -20.157 5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.746 -20.465 5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -7.724 -18.351 1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -7.203 -17.208 2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.990 -18.049 1.419 1.00 0.00 H new ATOM 1778 N ASN A 114 -7.204 -18.429 6.987 1.00 0.00 N ATOM 1779 CA ASN A 114 -8.285 -18.740 7.916 1.00 0.00 C ATOM 1780 C ASN A 114 -9.014 -17.470 8.346 1.00 0.00 C ATOM 1781 O ASN A 114 -10.237 -17.461 8.484 1.00 0.00 O ATOM 1782 CB ASN A 114 -7.737 -19.468 9.144 1.00 0.00 C ATOM 1783 CG ASN A 114 -7.693 -20.972 8.953 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -8.727 -21.617 8.779 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -6.492 -21.537 8.984 1.00 0.00 N ATOM 0 H ASN A 114 -6.272 -18.460 7.400 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.995 -19.390 7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -6.733 -19.103 9.362 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -8.357 -19.232 10.009 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -6.399 -22.545 8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -5.662 -20.963 9.131 1.00 0.00 H new ATOM 1792 N ASP A 115 -8.254 -16.401 8.557 1.00 0.00 N ATOM 1793 CA ASP A 115 -8.827 -15.125 8.970 1.00 0.00 C ATOM 1794 C ASP A 115 -9.856 -14.638 7.955 1.00 0.00 C ATOM 1795 O ASP A 115 -9.510 -13.995 6.965 1.00 0.00 O ATOM 1796 CB ASP A 115 -7.725 -14.079 9.141 1.00 0.00 C ATOM 1797 CG ASP A 115 -8.100 -13.001 10.139 1.00 0.00 C ATOM 1798 OD1 ASP A 115 -8.181 -13.313 11.345 1.00 0.00 O ATOM 1799 OD2 ASP A 115 -8.314 -11.846 9.714 1.00 0.00 O ATOM 0 H ASP A 115 -7.240 -16.393 8.449 1.00 0.00 H new ATOM 0 HA ASP A 115 -9.329 -15.272 9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.809 -14.571 9.469 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -7.512 -13.619 8.176 1.00 0.00 H new