USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 675 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 44 SER OG : rot 180:sc= 0.0096 USER MOD Set 1.2: A 101 ASN : amide:sc= -4.03! C(o=-4!,f=-19!) USER MOD Set 2.1: A 36 HIS :FLIP no HD1:sc= -1 F(o=-3.3,f=-1.7) USER MOD Set 2.2: A 81 HIS : no HD1:sc= -0.724 K(o=-1.7,f=-3.9) USER MOD Set 3.1: A 39 SER OG : rot -113:sc= 0.168 USER MOD Set 3.2: A 48 TYR OH : rot 15:sc= -0.911 USER MOD Set 3.3: A 80 ASN : amide:sc= 0.382 K(o=-0.36,f=-1.3) USER MOD Set 4.1: A 27 THR OG1 : rot 180:sc=-0.00168 USER MOD Set 4.2: A 34 THR OG1 : rot 101:sc= 0.0483 USER MOD Set 4.3: A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.457 K(o=0.46,f=-3.2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -49:sc= 0.00677 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.89! C(o=-1.9!,f=-3.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.3!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 168:sc= -1.6 (180deg=-1.95!) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -11.3! C(o=-11!,f=-18!) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0285 USER MOD Single : A 85 HIS : no HD1:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.0891 K(o=-0.089,f=-1) USER MOD Single : A 89 SER OG : rot 180:sc= 0.00149 USER MOD Single : A 91 THR OG1 : rot 72:sc= 0.381 USER MOD Single : A 93 TYR OH : rot 165:sc= -0.597 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.55) USER MOD Single : A 108 SER OG : rot 141:sc= 1.06 USER MOD Single : A 111 THR OG1 : rot -140:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.000621) USER MOD Single : A 115 THR OG1 : rot -167:sc= 0.239 USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -3.694 -16.522 -5.884 1.00 0.00 N ATOM 174 CA ALA A 15 -3.650 -15.083 -5.658 1.00 0.00 C ATOM 175 C ALA A 15 -2.976 -14.756 -4.330 1.00 0.00 C ATOM 176 O ALA A 15 -3.151 -15.453 -3.330 1.00 0.00 O ATOM 177 CB ALA A 15 -5.054 -14.499 -5.697 1.00 0.00 C ATOM 0 HA ALA A 15 -3.059 -14.633 -6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.006 -13.423 -5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.501 -14.692 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.662 -14.962 -4.920 1.00 0.00 H new ATOM 183 N PRO A 16 -2.186 -13.673 -4.317 1.00 0.00 N ATOM 184 CA PRO A 16 -1.470 -13.229 -3.117 1.00 0.00 C ATOM 185 C PRO A 16 -2.410 -12.677 -2.051 1.00 0.00 C ATOM 186 O PRO A 16 -3.366 -11.967 -2.361 1.00 0.00 O ATOM 187 CB PRO A 16 -0.549 -12.125 -3.641 1.00 0.00 C ATOM 188 CG PRO A 16 -1.229 -11.614 -4.864 1.00 0.00 C ATOM 189 CD PRO A 16 -1.932 -12.796 -5.472 1.00 0.00 C ATOM 0 HA PRO A 16 -0.941 -14.049 -2.632 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.417 -11.335 -2.902 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.443 -12.513 -3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.938 -10.824 -4.615 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.508 -11.187 -5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.859 -12.502 -5.965 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.314 -13.289 -6.222 1.00 0.00 H new ATOM 197 N ASN A 17 -2.132 -13.009 -0.794 1.00 0.00 N ATOM 198 CA ASN A 17 -2.954 -12.546 0.318 1.00 0.00 C ATOM 199 C ASN A 17 -3.073 -11.025 0.310 1.00 0.00 C ATOM 200 O ASN A 17 -2.106 -10.303 0.065 1.00 0.00 O ATOM 201 CB ASN A 17 -2.361 -13.016 1.648 1.00 0.00 C ATOM 202 CG ASN A 17 -2.025 -14.494 1.640 1.00 0.00 C ATOM 203 OD1 ASN A 17 -1.123 -14.934 0.926 1.00 0.00 O ATOM 204 ND2 ASN A 17 -2.750 -15.270 2.437 1.00 0.00 N ATOM 0 H ASN A 17 -1.344 -13.596 -0.520 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.951 -12.971 0.202 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.460 -12.442 1.864 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.069 -12.811 2.451 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.569 -16.273 2.475 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.488 -14.863 3.012 1.00 0.00 H new ATOM 211 N PRO A 18 -4.286 -10.525 0.586 1.00 0.00 N ATOM 212 CA PRO A 18 -4.561 -9.085 0.619 1.00 0.00 C ATOM 213 C PRO A 18 -3.898 -8.395 1.807 1.00 0.00 C ATOM 214 O PRO A 18 -4.045 -8.810 2.957 1.00 0.00 O ATOM 215 CB PRO A 18 -6.085 -9.017 0.742 1.00 0.00 C ATOM 216 CG PRO A 18 -6.471 -10.305 1.383 1.00 0.00 C ATOM 217 CD PRO A 18 -5.484 -11.326 0.888 1.00 0.00 C ATOM 0 HA PRO A 18 -4.168 -8.575 -0.261 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.396 -8.165 1.347 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.556 -8.904 -0.234 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.438 -10.225 2.470 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.490 -10.585 1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.280 -12.086 1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.853 -11.846 0.004 1.00 0.00 H new ATOM 225 N PRO A 19 -3.152 -7.317 1.525 1.00 0.00 N ATOM 226 CA PRO A 19 -2.453 -6.547 2.558 1.00 0.00 C ATOM 227 C PRO A 19 -3.414 -5.770 3.452 1.00 0.00 C ATOM 228 O PRO A 19 -4.461 -5.307 2.999 1.00 0.00 O ATOM 229 CB PRO A 19 -1.577 -5.585 1.752 1.00 0.00 C ATOM 230 CG PRO A 19 -2.277 -5.440 0.445 1.00 0.00 C ATOM 231 CD PRO A 19 -2.933 -6.767 0.177 1.00 0.00 C ATOM 0 HA PRO A 19 -1.892 -7.190 3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.477 -4.624 2.256 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.571 -5.982 1.620 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.016 -4.640 0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.574 -5.185 -0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.871 -6.649 -0.366 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.296 -7.416 -0.423 1.00 0.00 H new ATOM 239 N SER A 20 -3.051 -5.630 4.723 1.00 0.00 N ATOM 240 CA SER A 20 -3.884 -4.911 5.680 1.00 0.00 C ATOM 241 C SER A 20 -3.232 -3.592 6.084 1.00 0.00 C ATOM 242 O SER A 20 -2.233 -3.575 6.804 1.00 0.00 O ATOM 243 CB SER A 20 -4.130 -5.772 6.921 1.00 0.00 C ATOM 244 OG SER A 20 -5.312 -6.541 6.781 1.00 0.00 O ATOM 0 H SER A 20 -2.186 -6.005 5.114 1.00 0.00 H new ATOM 0 HA SER A 20 -4.839 -4.693 5.202 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.279 -6.433 7.083 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.210 -5.133 7.801 1.00 0.00 H new ATOM 0 HG SER A 20 -5.446 -7.084 7.586 1.00 0.00 H new ATOM 250 N ILE A 21 -3.805 -2.489 5.615 1.00 0.00 N ATOM 251 CA ILE A 21 -3.281 -1.165 5.927 1.00 0.00 C ATOM 252 C ILE A 21 -3.562 -0.791 7.378 1.00 0.00 C ATOM 253 O ILE A 21 -4.713 -0.779 7.815 1.00 0.00 O ATOM 254 CB ILE A 21 -3.884 -0.089 5.005 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.555 -0.396 3.543 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.369 1.290 5.392 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.393 0.388 2.557 1.00 0.00 C ATOM 0 H ILE A 21 -4.632 -2.486 5.018 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.204 -1.206 5.767 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.968 -0.097 5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.502 -0.181 3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.698 -1.461 3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.804 2.040 4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.650 1.507 6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.283 1.312 5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.105 0.119 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.447 0.155 2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.231 1.455 2.710 1.00 0.00 H new ATOM 269 N ARG A 22 -2.503 -0.483 8.120 1.00 0.00 N ATOM 270 CA ARG A 22 -2.636 -0.108 9.523 1.00 0.00 C ATOM 271 C ARG A 22 -2.782 1.404 9.669 1.00 0.00 C ATOM 272 O ARG A 22 -1.792 2.135 9.667 1.00 0.00 O ATOM 273 CB ARG A 22 -1.424 -0.594 10.320 1.00 0.00 C ATOM 274 CG ARG A 22 -1.251 -2.104 10.305 1.00 0.00 C ATOM 275 CD ARG A 22 -2.284 -2.792 11.184 1.00 0.00 C ATOM 276 NE ARG A 22 -1.795 -2.998 12.545 1.00 0.00 N ATOM 277 CZ ARG A 22 -2.592 -3.170 13.594 1.00 0.00 C ATOM 278 NH1 ARG A 22 -3.908 -3.161 13.439 1.00 0.00 N ATOM 279 NH2 ARG A 22 -2.071 -3.352 14.801 1.00 0.00 N ATOM 0 H ARG A 22 -1.544 -0.486 7.773 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.535 -0.583 9.917 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.524 -0.130 9.916 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.520 -0.258 11.352 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.339 -2.471 9.283 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.249 -2.360 10.650 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.193 -2.192 11.213 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.551 -3.754 10.745 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.787 -3.010 12.698 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.311 -3.022 12.513 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.517 -3.293 14.246 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.058 -3.360 14.924 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.683 -3.484 15.606 1.00 0.00 H new ATOM 293 N GLU A 23 -4.023 1.864 9.796 1.00 0.00 N ATOM 294 CA GLU A 23 -4.297 3.289 9.942 1.00 0.00 C ATOM 295 C GLU A 23 -3.721 3.823 11.251 1.00 0.00 C ATOM 296 O GLU A 23 -3.495 5.023 11.397 1.00 0.00 O ATOM 297 CB GLU A 23 -5.804 3.549 9.892 1.00 0.00 C ATOM 298 CG GLU A 23 -6.178 4.818 9.146 1.00 0.00 C ATOM 299 CD GLU A 23 -6.326 6.014 10.066 1.00 0.00 C ATOM 300 OE1 GLU A 23 -7.003 5.883 11.106 1.00 0.00 O ATOM 301 OE2 GLU A 23 -5.764 7.082 9.744 1.00 0.00 O ATOM 0 H GLU A 23 -4.853 1.272 9.801 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.818 3.811 9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.295 2.700 9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.188 3.610 10.910 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.416 5.033 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.114 4.658 8.611 1.00 0.00 H new ATOM 308 N GLU A 24 -3.486 2.921 12.199 1.00 0.00 N ATOM 309 CA GLU A 24 -2.938 3.301 13.495 1.00 0.00 C ATOM 310 C GLU A 24 -1.424 3.479 13.415 1.00 0.00 C ATOM 311 O GLU A 24 -0.830 4.205 14.213 1.00 0.00 O ATOM 312 CB GLU A 24 -3.284 2.247 14.549 1.00 0.00 C ATOM 313 CG GLU A 24 -2.659 0.889 14.279 1.00 0.00 C ATOM 314 CD GLU A 24 -2.405 0.100 15.549 1.00 0.00 C ATOM 315 OE1 GLU A 24 -3.166 0.282 16.523 1.00 0.00 O ATOM 316 OE2 GLU A 24 -1.445 -0.698 15.569 1.00 0.00 O ATOM 0 H GLU A 24 -3.667 1.923 12.093 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.383 4.253 13.784 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.956 2.601 15.526 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.367 2.136 14.598 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.315 0.315 13.624 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.718 1.026 13.747 1.00 0.00 H new ATOM 323 N LEU A 25 -0.807 2.810 12.447 1.00 0.00 N ATOM 324 CA LEU A 25 0.638 2.892 12.262 1.00 0.00 C ATOM 325 C LEU A 25 0.994 3.949 11.221 1.00 0.00 C ATOM 326 O LEU A 25 2.057 4.567 11.288 1.00 0.00 O ATOM 327 CB LEU A 25 1.196 1.533 11.837 1.00 0.00 C ATOM 328 CG LEU A 25 0.884 0.359 12.766 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.555 -0.910 12.266 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.325 0.674 14.189 1.00 0.00 C ATOM 0 H LEU A 25 -1.284 2.205 11.779 1.00 0.00 H new ATOM 0 HA LEU A 25 1.086 3.180 13.213 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.810 1.298 10.845 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.279 1.620 11.745 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.194 0.198 12.768 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.322 -1.735 12.940 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.191 -1.144 11.266 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.634 -0.762 12.234 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.095 -0.172 14.837 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.399 0.862 14.204 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.797 1.558 14.546 1.00 0.00 H new ATOM 342 N CYS A 26 0.098 4.152 10.262 1.00 0.00 N ATOM 343 CA CYS A 26 0.317 5.135 9.207 1.00 0.00 C ATOM 344 C CYS A 26 0.430 6.541 9.788 1.00 0.00 C ATOM 345 O CYS A 26 -0.254 6.882 10.754 1.00 0.00 O ATOM 346 CB CYS A 26 -0.822 5.082 8.187 1.00 0.00 C ATOM 347 SG CYS A 26 -2.315 5.963 8.701 1.00 0.00 S ATOM 0 H CYS A 26 -0.787 3.649 10.193 1.00 0.00 H new ATOM 0 HA CYS A 26 1.255 4.892 8.707 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.471 5.503 7.245 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.076 4.039 7.996 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.631 5.612 9.912 1.00 0.00 H new ATOM 353 N THR A 27 1.299 7.353 9.195 1.00 0.00 N ATOM 354 CA THR A 27 1.504 8.721 9.656 1.00 0.00 C ATOM 355 C THR A 27 1.188 9.725 8.553 1.00 0.00 C ATOM 356 O THR A 27 1.215 9.390 7.369 1.00 0.00 O ATOM 357 CB THR A 27 2.951 8.940 10.136 1.00 0.00 C ATOM 358 OG1 THR A 27 3.848 8.906 9.020 1.00 0.00 O ATOM 359 CG2 THR A 27 3.352 7.879 11.149 1.00 0.00 C ATOM 0 H THR A 27 1.872 7.087 8.394 1.00 0.00 H new ATOM 0 HA THR A 27 0.824 8.879 10.493 1.00 0.00 H new ATOM 0 HB THR A 27 3.007 9.917 10.616 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.766 9.048 9.333 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.378 8.055 11.473 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.686 7.928 12.010 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.280 6.893 10.691 1.00 0.00 H new ATOM 367 N ALA A 28 0.891 10.958 8.950 1.00 0.00 N ATOM 368 CA ALA A 28 0.573 12.012 7.995 1.00 0.00 C ATOM 369 C ALA A 28 1.397 13.266 8.267 1.00 0.00 C ATOM 370 O ALA A 28 1.489 13.725 9.405 1.00 0.00 O ATOM 371 CB ALA A 28 -0.914 12.335 8.041 1.00 0.00 C ATOM 0 H ALA A 28 0.864 11.251 9.927 1.00 0.00 H new ATOM 0 HA ALA A 28 0.825 11.652 6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.137 13.124 7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.488 11.443 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.183 12.670 9.043 1.00 0.00 H new ATOM 377 N SER A 29 1.995 13.815 7.214 1.00 0.00 N ATOM 378 CA SER A 29 2.816 15.013 7.340 1.00 0.00 C ATOM 379 C SER A 29 2.405 16.064 6.313 1.00 0.00 C ATOM 380 O SER A 29 1.662 15.774 5.375 1.00 0.00 O ATOM 381 CB SER A 29 4.295 14.665 7.166 1.00 0.00 C ATOM 382 OG SER A 29 4.707 13.698 8.117 1.00 0.00 O ATOM 0 H SER A 29 1.926 13.449 6.264 1.00 0.00 H new ATOM 0 HA SER A 29 2.662 15.425 8.337 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.466 14.285 6.159 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.899 15.566 7.274 1.00 0.00 H new ATOM 0 HG SER A 29 5.656 13.491 7.984 1.00 0.00 H new ATOM 388 N HIS A 30 2.894 17.286 6.498 1.00 0.00 N ATOM 389 CA HIS A 30 2.579 18.381 5.587 1.00 0.00 C ATOM 390 C HIS A 30 2.558 17.896 4.141 1.00 0.00 C ATOM 391 O HIS A 30 1.504 17.850 3.506 1.00 0.00 O ATOM 392 CB HIS A 30 3.597 19.512 5.744 1.00 0.00 C ATOM 393 CG HIS A 30 5.005 19.031 5.911 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.472 18.461 7.077 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.050 19.035 5.052 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.744 18.138 6.928 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.119 18.475 5.707 1.00 0.00 N ATOM 0 H HIS A 30 3.509 17.543 7.270 1.00 0.00 H new ATOM 0 HA HIS A 30 1.588 18.757 5.839 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.545 20.161 4.870 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.324 20.118 6.608 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.045 19.409 4.039 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.371 17.677 7.677 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.051 18.341 5.315 1.00 0.00 H new ATOM 406 N ASP A 31 3.729 17.537 3.625 1.00 0.00 N ATOM 407 CA ASP A 31 3.845 17.056 2.254 1.00 0.00 C ATOM 408 C ASP A 31 4.469 15.664 2.217 1.00 0.00 C ATOM 409 O ASP A 31 5.310 15.370 1.367 1.00 0.00 O ATOM 410 CB ASP A 31 4.683 18.026 1.419 1.00 0.00 C ATOM 411 CG ASP A 31 4.083 19.417 1.374 1.00 0.00 C ATOM 412 OD1 ASP A 31 2.850 19.538 1.532 1.00 0.00 O ATOM 413 OD2 ASP A 31 4.847 20.386 1.180 1.00 0.00 O ATOM 0 H ASP A 31 4.611 17.570 4.136 1.00 0.00 H new ATOM 0 HA ASP A 31 2.842 16.997 1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.690 18.081 1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.776 17.640 0.404 1.00 0.00 H new ATOM 418 N THR A 32 4.052 14.810 3.147 1.00 0.00 N ATOM 419 CA THR A 32 4.571 13.450 3.223 1.00 0.00 C ATOM 420 C THR A 32 3.655 12.557 4.053 1.00 0.00 C ATOM 421 O THR A 32 3.069 13.001 5.041 1.00 0.00 O ATOM 422 CB THR A 32 5.986 13.422 3.832 1.00 0.00 C ATOM 423 OG1 THR A 32 6.152 14.520 4.735 1.00 0.00 O ATOM 424 CG2 THR A 32 7.045 13.490 2.742 1.00 0.00 C ATOM 0 H THR A 32 3.356 15.036 3.858 1.00 0.00 H new ATOM 0 HA THR A 32 4.615 13.071 2.202 1.00 0.00 H new ATOM 0 HB THR A 32 6.106 12.485 4.375 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.053 14.494 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.036 13.469 3.196 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.934 12.637 2.073 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.925 14.413 2.175 1.00 0.00 H new ATOM 432 N ILE A 33 3.537 11.298 3.646 1.00 0.00 N ATOM 433 CA ILE A 33 2.694 10.343 4.354 1.00 0.00 C ATOM 434 C ILE A 33 3.312 8.949 4.342 1.00 0.00 C ATOM 435 O ILE A 33 3.764 8.467 3.304 1.00 0.00 O ATOM 436 CB ILE A 33 1.284 10.273 3.739 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.553 11.603 3.931 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.491 9.132 4.359 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.925 11.531 3.616 1.00 0.00 C ATOM 0 H ILE A 33 4.014 10.916 2.830 1.00 0.00 H new ATOM 0 HA ILE A 33 2.616 10.694 5.383 1.00 0.00 H new ATOM 0 HB ILE A 33 1.380 10.084 2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.681 11.933 4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.016 12.358 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.503 9.096 3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.006 8.189 4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.402 9.293 5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.379 12.509 3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.061 11.231 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.401 10.800 4.270 1.00 0.00 H new ATOM 451 N THR A 34 3.326 8.304 5.505 1.00 0.00 N ATOM 452 CA THR A 34 3.887 6.965 5.629 1.00 0.00 C ATOM 453 C THR A 34 2.797 5.934 5.900 1.00 0.00 C ATOM 454 O THR A 34 2.309 5.813 7.024 1.00 0.00 O ATOM 455 CB THR A 34 4.934 6.897 6.756 1.00 0.00 C ATOM 456 OG1 THR A 34 5.761 8.066 6.729 1.00 0.00 O ATOM 457 CG2 THR A 34 5.800 5.654 6.617 1.00 0.00 C ATOM 0 H THR A 34 2.955 8.688 6.374 1.00 0.00 H new ATOM 0 HA THR A 34 4.371 6.736 4.679 1.00 0.00 H new ATOM 0 HB THR A 34 4.406 6.848 7.708 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.463 8.694 7.420 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.532 5.628 7.424 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.171 4.765 6.669 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.318 5.677 5.658 1.00 0.00 H new ATOM 465 N VAL A 35 2.419 5.193 4.864 1.00 0.00 N ATOM 466 CA VAL A 35 1.387 4.171 4.991 1.00 0.00 C ATOM 467 C VAL A 35 1.985 2.836 5.420 1.00 0.00 C ATOM 468 O VAL A 35 2.708 2.193 4.658 1.00 0.00 O ATOM 469 CB VAL A 35 0.623 3.977 3.668 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.458 2.918 3.825 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.024 5.295 3.200 1.00 0.00 C ATOM 0 H VAL A 35 2.812 5.281 3.927 1.00 0.00 H new ATOM 0 HA VAL A 35 0.692 4.517 5.756 1.00 0.00 H new ATOM 0 HB VAL A 35 1.327 3.634 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.987 2.795 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.001 1.971 4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.162 3.228 4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.512 5.139 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.667 5.669 3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.821 6.022 3.045 1.00 0.00 H new ATOM 481 N HIS A 36 1.679 2.424 6.646 1.00 0.00 N ATOM 482 CA HIS A 36 2.186 1.163 7.177 1.00 0.00 C ATOM 483 C HIS A 36 1.196 0.030 6.926 1.00 0.00 C ATOM 484 O HIS A 36 0.058 0.072 7.393 1.00 0.00 O ATOM 485 CB HIS A 36 2.462 1.291 8.676 1.00 0.00 C ATOM 486 CG HIS A 36 3.781 1.928 8.990 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.277 3.144 8.661 1.00 0.00 N flip ATOM 488 CD2 HIS A 36 4.764 1.300 9.725 1.00 0.00 C flip ATOM 489 CE1 HIS A 36 5.538 3.228 9.200 1.00 0.00 C flip ATOM 490 NE2 HIS A 36 5.807 2.103 9.837 1.00 0.00 N flip ATOM 0 H HIS A 36 1.083 2.944 7.290 1.00 0.00 H new ATOM 0 HA HIS A 36 3.117 0.929 6.662 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.666 1.878 9.135 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.429 0.300 9.129 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.693 0.307 10.144 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.201 4.076 9.116 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.673 1.890 10.332 1.00 0.00 H new ATOM 499 N TRP A 37 1.637 -0.980 6.185 1.00 0.00 N ATOM 500 CA TRP A 37 0.789 -2.124 5.870 1.00 0.00 C ATOM 501 C TRP A 37 1.389 -3.414 6.418 1.00 0.00 C ATOM 502 O TRP A 37 2.610 -3.574 6.456 1.00 0.00 O ATOM 503 CB TRP A 37 0.594 -2.240 4.358 1.00 0.00 C ATOM 504 CG TRP A 37 1.882 -2.256 3.592 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.675 -3.339 3.345 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.526 -1.135 2.976 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.774 -2.960 2.612 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.706 -1.613 2.372 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.221 0.224 2.874 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.578 -0.778 1.679 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.088 1.052 2.186 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.254 0.549 1.595 1.00 0.00 C ATOM 0 H TRP A 37 2.577 -1.030 5.791 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.180 -1.967 6.343 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.038 -3.152 4.140 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.015 -1.405 4.012 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.469 -4.346 3.677 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.520 -3.581 2.298 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.323 0.621 3.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.478 -1.164 1.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.862 2.105 2.103 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.910 1.222 1.063 1.00 0.00 H new ATOM 523 N ILE A 38 0.525 -4.331 6.841 1.00 0.00 N ATOM 524 CA ILE A 38 0.972 -5.607 7.386 1.00 0.00 C ATOM 525 C ILE A 38 0.875 -6.714 6.342 1.00 0.00 C ATOM 526 O ILE A 38 -0.012 -6.700 5.488 1.00 0.00 O ATOM 527 CB ILE A 38 0.150 -6.010 8.624 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.299 -7.508 8.897 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.314 -5.645 8.428 1.00 0.00 C ATOM 530 CD1 ILE A 38 -0.565 -8.373 8.006 1.00 0.00 C ATOM 0 H ILE A 38 -0.488 -4.214 6.817 1.00 0.00 H new ATOM 0 HA ILE A 38 2.014 -5.477 7.679 1.00 0.00 H new ATOM 0 HB ILE A 38 0.529 -5.463 9.488 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.343 -7.791 8.763 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.046 -7.706 9.938 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.883 -5.936 9.311 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.404 -4.569 8.277 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.706 -6.168 7.556 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.408 -9.423 8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.614 -8.117 8.157 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.296 -8.204 6.963 1.00 0.00 H new ATOM 542 N SER A 39 1.792 -7.674 6.418 1.00 0.00 N ATOM 543 CA SER A 39 1.810 -8.789 5.478 1.00 0.00 C ATOM 544 C SER A 39 1.888 -10.121 6.218 1.00 0.00 C ATOM 545 O SER A 39 2.865 -10.403 6.912 1.00 0.00 O ATOM 546 CB SER A 39 2.995 -8.655 4.519 1.00 0.00 C ATOM 547 OG SER A 39 3.307 -7.294 4.280 1.00 0.00 O ATOM 0 H SER A 39 2.531 -7.702 7.120 1.00 0.00 H new ATOM 0 HA SER A 39 0.883 -8.765 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.864 -9.162 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.761 -9.149 3.576 1.00 0.00 H new ATOM 0 HG SER A 39 3.113 -7.073 3.345 1.00 0.00 H new ATOM 553 N ASP A 40 0.850 -10.937 6.064 1.00 0.00 N ATOM 554 CA ASP A 40 0.800 -12.240 6.715 1.00 0.00 C ATOM 555 C ASP A 40 1.790 -13.207 6.074 1.00 0.00 C ATOM 556 O ASP A 40 2.474 -13.961 6.766 1.00 0.00 O ATOM 557 CB ASP A 40 -0.615 -12.816 6.642 1.00 0.00 C ATOM 558 CG ASP A 40 -0.763 -14.094 7.444 1.00 0.00 C ATOM 559 OD1 ASP A 40 0.243 -14.818 7.596 1.00 0.00 O ATOM 560 OD2 ASP A 40 -1.884 -14.371 7.919 1.00 0.00 O ATOM 0 H ASP A 40 0.033 -10.718 5.494 1.00 0.00 H new ATOM 0 HA ASP A 40 1.076 -12.107 7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.325 -12.075 7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.871 -13.012 5.601 1.00 0.00 H new ATOM 565 N ASP A 41 1.859 -13.182 4.747 1.00 0.00 N ATOM 566 CA ASP A 41 2.765 -14.056 4.012 1.00 0.00 C ATOM 567 C ASP A 41 3.357 -13.334 2.806 1.00 0.00 C ATOM 568 O ASP A 41 2.674 -13.112 1.807 1.00 0.00 O ATOM 569 CB ASP A 41 2.032 -15.319 3.557 1.00 0.00 C ATOM 570 CG ASP A 41 2.035 -16.404 4.616 1.00 0.00 C ATOM 571 OD1 ASP A 41 3.021 -17.166 4.681 1.00 0.00 O ATOM 572 OD2 ASP A 41 1.050 -16.490 5.379 1.00 0.00 O ATOM 0 H ASP A 41 1.298 -12.566 4.159 1.00 0.00 H new ATOM 0 HA ASP A 41 3.579 -14.338 4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.003 -15.066 3.303 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.500 -15.700 2.649 1.00 0.00 H new ATOM 577 N GLU A 42 4.632 -12.970 2.907 1.00 0.00 N ATOM 578 CA GLU A 42 5.315 -12.272 1.825 1.00 0.00 C ATOM 579 C GLU A 42 6.184 -13.233 1.020 1.00 0.00 C ATOM 580 O GLU A 42 6.445 -13.010 -0.163 1.00 0.00 O ATOM 581 CB GLU A 42 6.174 -11.135 2.383 1.00 0.00 C ATOM 582 CG GLU A 42 7.243 -11.603 3.357 1.00 0.00 C ATOM 583 CD GLU A 42 7.903 -10.454 4.093 1.00 0.00 C ATOM 584 OE1 GLU A 42 7.172 -9.592 4.626 1.00 0.00 O ATOM 585 OE2 GLU A 42 9.151 -10.415 4.137 1.00 0.00 O ATOM 0 H GLU A 42 5.212 -13.147 3.727 1.00 0.00 H new ATOM 0 HA GLU A 42 4.557 -11.853 1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.652 -10.612 1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.528 -10.415 2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.797 -12.285 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.002 -12.166 2.815 1.00 0.00 H new ATOM 592 N PHE A 43 6.631 -14.303 1.669 1.00 0.00 N ATOM 593 CA PHE A 43 7.473 -15.298 1.016 1.00 0.00 C ATOM 594 C PHE A 43 7.011 -15.544 -0.418 1.00 0.00 C ATOM 595 O PHE A 43 7.818 -15.832 -1.301 1.00 0.00 O ATOM 596 CB PHE A 43 7.452 -16.610 1.803 1.00 0.00 C ATOM 597 CG PHE A 43 7.932 -16.467 3.219 1.00 0.00 C ATOM 598 CD1 PHE A 43 7.053 -16.110 4.229 1.00 0.00 C ATOM 599 CD2 PHE A 43 9.261 -16.690 3.540 1.00 0.00 C ATOM 600 CE1 PHE A 43 7.491 -15.978 5.533 1.00 0.00 C ATOM 601 CE2 PHE A 43 9.704 -16.560 4.842 1.00 0.00 C ATOM 602 CZ PHE A 43 8.819 -16.203 5.840 1.00 0.00 C ATOM 0 H PHE A 43 6.424 -14.503 2.647 1.00 0.00 H new ATOM 0 HA PHE A 43 8.493 -14.914 0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.436 -17.004 1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.074 -17.343 1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.014 -15.933 3.994 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.958 -16.969 2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.796 -15.699 6.311 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.743 -16.738 5.079 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.164 -16.100 6.858 1.00 0.00 H new ATOM 612 N SER A 44 5.705 -15.430 -0.640 1.00 0.00 N ATOM 613 CA SER A 44 5.134 -15.644 -1.964 1.00 0.00 C ATOM 614 C SER A 44 5.118 -14.346 -2.766 1.00 0.00 C ATOM 615 O SER A 44 5.365 -14.345 -3.972 1.00 0.00 O ATOM 616 CB SER A 44 3.714 -16.201 -1.847 1.00 0.00 C ATOM 617 OG SER A 44 2.923 -15.819 -2.958 1.00 0.00 O ATOM 0 H SER A 44 5.023 -15.191 0.080 1.00 0.00 H new ATOM 0 HA SER A 44 5.759 -16.367 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.751 -17.288 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.253 -15.840 -0.927 1.00 0.00 H new ATOM 0 HG SER A 44 2.021 -16.189 -2.860 1.00 0.00 H new ATOM 623 N ILE A 45 4.827 -13.242 -2.086 1.00 0.00 N ATOM 624 CA ILE A 45 4.780 -11.937 -2.733 1.00 0.00 C ATOM 625 C ILE A 45 6.141 -11.559 -3.308 1.00 0.00 C ATOM 626 O ILE A 45 7.146 -11.555 -2.598 1.00 0.00 O ATOM 627 CB ILE A 45 4.326 -10.839 -1.754 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.938 -11.164 -1.196 1.00 0.00 C ATOM 629 CG2 ILE A 45 4.321 -9.482 -2.443 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.397 -10.101 -0.265 1.00 0.00 C ATOM 0 H ILE A 45 4.620 -13.226 -1.087 1.00 0.00 H new ATOM 0 HA ILE A 45 4.054 -12.013 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 45 5.031 -10.800 -0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.244 -11.296 -2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.983 -12.114 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.998 -8.717 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.326 -9.249 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.636 -9.507 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.411 -10.398 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.070 -9.984 0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.320 -9.154 -0.800 1.00 0.00 H new ATOM 642 N SER A 46 6.164 -11.240 -4.598 1.00 0.00 N ATOM 643 CA SER A 46 7.402 -10.862 -5.270 1.00 0.00 C ATOM 644 C SER A 46 7.736 -9.396 -5.009 1.00 0.00 C ATOM 645 O SER A 46 8.905 -9.017 -4.939 1.00 0.00 O ATOM 646 CB SER A 46 7.287 -11.110 -6.775 1.00 0.00 C ATOM 647 OG SER A 46 8.564 -11.126 -7.388 1.00 0.00 O ATOM 0 H SER A 46 5.340 -11.236 -5.199 1.00 0.00 H new ATOM 0 HA SER A 46 8.207 -11.478 -4.868 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.783 -12.060 -6.953 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.672 -10.333 -7.229 1.00 0.00 H new ATOM 0 HG SER A 46 8.463 -11.288 -8.349 1.00 0.00 H new ATOM 653 N SER A 47 6.700 -8.576 -4.866 1.00 0.00 N ATOM 654 CA SER A 47 6.881 -7.151 -4.616 1.00 0.00 C ATOM 655 C SER A 47 5.546 -6.477 -4.317 1.00 0.00 C ATOM 656 O SER A 47 4.483 -7.007 -4.643 1.00 0.00 O ATOM 657 CB SER A 47 7.545 -6.481 -5.821 1.00 0.00 C ATOM 658 OG SER A 47 6.868 -6.808 -7.022 1.00 0.00 O ATOM 0 H SER A 47 5.726 -8.874 -4.919 1.00 0.00 H new ATOM 0 HA SER A 47 7.527 -7.040 -3.745 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.548 -5.400 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.586 -6.797 -5.889 1.00 0.00 H new ATOM 0 HG SER A 47 7.310 -6.367 -7.777 1.00 0.00 H new ATOM 664 N TYR A 48 5.608 -5.306 -3.693 1.00 0.00 N ATOM 665 CA TYR A 48 4.404 -4.559 -3.347 1.00 0.00 C ATOM 666 C TYR A 48 4.259 -3.321 -4.226 1.00 0.00 C ATOM 667 O TYR A 48 5.247 -2.776 -4.716 1.00 0.00 O ATOM 668 CB TYR A 48 4.438 -4.151 -1.873 1.00 0.00 C ATOM 669 CG TYR A 48 3.816 -5.171 -0.948 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.444 -5.397 -0.952 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.598 -5.910 -0.068 1.00 0.00 C ATOM 672 CE1 TYR A 48 1.871 -6.327 -0.107 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.033 -6.843 0.779 1.00 0.00 C ATOM 674 CZ TYR A 48 2.669 -7.048 0.756 1.00 0.00 C ATOM 675 OH TYR A 48 2.102 -7.977 1.599 1.00 0.00 O ATOM 0 H TYR A 48 6.479 -4.853 -3.416 1.00 0.00 H new ATOM 0 HA TYR A 48 3.544 -5.206 -3.518 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.473 -3.986 -1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.917 -3.201 -1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.816 -4.836 -1.628 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.666 -5.752 -0.046 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.803 -6.489 -0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.656 -7.409 1.456 1.00 0.00 H new ATOM 0 HH TYR A 48 1.189 -8.173 1.303 1.00 0.00 H new ATOM 685 N GLU A 49 3.019 -2.883 -4.420 1.00 0.00 N ATOM 686 CA GLU A 49 2.744 -1.709 -5.241 1.00 0.00 C ATOM 687 C GLU A 49 1.928 -0.681 -4.462 1.00 0.00 C ATOM 688 O GLU A 49 0.874 -0.998 -3.909 1.00 0.00 O ATOM 689 CB GLU A 49 1.996 -2.113 -6.513 1.00 0.00 C ATOM 690 CG GLU A 49 2.273 -1.201 -7.697 1.00 0.00 C ATOM 691 CD GLU A 49 3.504 -1.616 -8.478 1.00 0.00 C ATOM 692 OE1 GLU A 49 4.358 -2.326 -7.908 1.00 0.00 O ATOM 693 OE2 GLU A 49 3.612 -1.231 -9.661 1.00 0.00 O ATOM 0 H GLU A 49 2.190 -3.323 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 49 3.697 -1.258 -5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.272 -3.133 -6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.925 -2.115 -6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.409 -1.202 -8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.401 -0.179 -7.341 1.00 0.00 H new ATOM 700 N LEU A 50 2.422 0.551 -4.424 1.00 0.00 N ATOM 701 CA LEU A 50 1.740 1.627 -3.714 1.00 0.00 C ATOM 702 C LEU A 50 0.900 2.465 -4.672 1.00 0.00 C ATOM 703 O LEU A 50 1.411 3.001 -5.655 1.00 0.00 O ATOM 704 CB LEU A 50 2.757 2.518 -2.998 1.00 0.00 C ATOM 705 CG LEU A 50 2.199 3.432 -1.907 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.712 2.614 -0.722 1.00 0.00 C ATOM 707 CD2 LEU A 50 3.250 4.440 -1.467 1.00 0.00 C ATOM 0 H LEU A 50 3.293 0.830 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 50 1.076 1.177 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.520 1.879 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.255 3.138 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 50 1.350 3.979 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.318 3.282 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.926 1.933 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.542 2.039 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.835 5.082 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.119 3.912 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.549 5.049 -2.320 1.00 0.00 H new ATOM 719 N GLN A 51 -0.392 2.575 -4.377 1.00 0.00 N ATOM 720 CA GLN A 51 -1.302 3.350 -5.212 1.00 0.00 C ATOM 721 C GLN A 51 -2.011 4.424 -4.393 1.00 0.00 C ATOM 722 O GLN A 51 -2.784 4.118 -3.485 1.00 0.00 O ATOM 723 CB GLN A 51 -2.333 2.430 -5.868 1.00 0.00 C ATOM 724 CG GLN A 51 -1.718 1.381 -6.781 1.00 0.00 C ATOM 725 CD GLN A 51 -2.656 0.952 -7.892 1.00 0.00 C ATOM 726 OE1 GLN A 51 -3.741 1.511 -8.055 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.241 -0.045 -8.665 1.00 0.00 N ATOM 0 H GLN A 51 -0.831 2.138 -3.567 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.715 3.839 -5.989 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.909 1.930 -5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.034 3.035 -6.444 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.801 1.777 -7.218 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.439 0.509 -6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.334 -0.480 -8.494 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.829 -0.376 -9.430 1.00 0.00 H new ATOM 736 N TYR A 52 -1.742 5.683 -4.721 1.00 0.00 N ATOM 737 CA TYR A 52 -2.352 6.803 -4.014 1.00 0.00 C ATOM 738 C TYR A 52 -2.878 7.845 -4.996 1.00 0.00 C ATOM 739 O TYR A 52 -2.480 7.877 -6.161 1.00 0.00 O ATOM 740 CB TYR A 52 -1.339 7.447 -3.065 1.00 0.00 C ATOM 741 CG TYR A 52 -0.082 7.925 -3.755 1.00 0.00 C ATOM 742 CD1 TYR A 52 0.840 7.021 -4.267 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.184 9.282 -3.895 1.00 0.00 C ATOM 744 CE1 TYR A 52 1.991 7.454 -4.898 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.331 9.724 -4.525 1.00 0.00 C ATOM 746 CZ TYR A 52 2.232 8.806 -5.024 1.00 0.00 C ATOM 747 OH TYR A 52 3.376 9.241 -5.653 1.00 0.00 O ATOM 0 H TYR A 52 -1.106 5.953 -5.471 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.191 6.420 -3.434 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.811 8.291 -2.562 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.068 6.727 -2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.654 5.961 -4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.518 10.003 -3.504 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.698 6.738 -5.290 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.521 10.782 -4.626 1.00 0.00 H new ATOM 0 HH TYR A 52 3.394 10.221 -5.659 1.00 0.00 H new ATOM 757 N THR A 53 -3.778 8.699 -4.517 1.00 0.00 N ATOM 758 CA THR A 53 -4.361 9.743 -5.350 1.00 0.00 C ATOM 759 C THR A 53 -5.040 10.810 -4.500 1.00 0.00 C ATOM 760 O THR A 53 -5.627 10.508 -3.461 1.00 0.00 O ATOM 761 CB THR A 53 -5.387 9.163 -6.341 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.737 10.149 -7.318 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.639 8.697 -5.613 1.00 0.00 C ATOM 0 H THR A 53 -4.119 8.688 -3.556 1.00 0.00 H new ATOM 0 HA THR A 53 -3.542 10.195 -5.909 1.00 0.00 H new ATOM 0 HB THR A 53 -4.934 8.305 -6.838 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.388 9.771 -7.945 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.349 8.291 -6.334 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.374 7.925 -4.891 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.092 9.541 -5.092 1.00 0.00 H new ATOM 771 N ILE A 54 -4.956 12.059 -4.948 1.00 0.00 N ATOM 772 CA ILE A 54 -5.564 13.170 -4.228 1.00 0.00 C ATOM 773 C ILE A 54 -7.086 13.072 -4.249 1.00 0.00 C ATOM 774 O ILE A 54 -7.703 13.050 -5.314 1.00 0.00 O ATOM 775 CB ILE A 54 -5.140 14.526 -4.824 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.676 14.819 -4.490 1.00 0.00 C ATOM 777 CG2 ILE A 54 -6.041 15.637 -4.304 1.00 0.00 C ATOM 778 CD1 ILE A 54 -3.022 15.794 -5.444 1.00 0.00 C ATOM 0 H ILE A 54 -4.473 12.326 -5.806 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.213 13.109 -3.198 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.243 14.479 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.616 15.218 -3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.116 13.884 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.730 16.589 -4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.073 15.431 -4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.967 15.687 -3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.986 15.955 -5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.050 15.388 -6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.558 16.743 -5.419 1.00 0.00 H new ATOM 790 N PHE A 55 -7.686 13.015 -3.064 1.00 0.00 N ATOM 791 CA PHE A 55 -9.136 12.919 -2.946 1.00 0.00 C ATOM 792 C PHE A 55 -9.736 14.258 -2.526 1.00 0.00 C ATOM 793 O PHE A 55 -9.640 14.658 -1.365 1.00 0.00 O ATOM 794 CB PHE A 55 -9.516 11.837 -1.934 1.00 0.00 C ATOM 795 CG PHE A 55 -10.972 11.467 -1.970 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.892 12.144 -1.186 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.420 10.443 -2.788 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.231 11.806 -1.216 1.00 0.00 C ATOM 799 CE2 PHE A 55 -12.759 10.100 -2.824 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.666 10.783 -2.037 1.00 0.00 C ATOM 0 H PHE A 55 -7.190 13.034 -2.173 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.539 12.650 -3.923 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.918 10.946 -2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.262 12.183 -0.932 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.558 12.946 -0.544 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.715 9.906 -3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.937 12.341 -0.598 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.095 9.299 -3.466 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.713 10.518 -2.063 1.00 0.00 H new ATOM 1050 N MET A 72 -1.327 7.427 -8.753 1.00 0.00 N ATOM 1051 CA MET A 72 0.129 7.352 -8.727 1.00 0.00 C ATOM 1052 C MET A 72 0.594 5.974 -8.265 1.00 0.00 C ATOM 1053 O MET A 72 0.040 5.406 -7.323 1.00 0.00 O ATOM 1054 CB MET A 72 0.701 8.431 -7.806 1.00 0.00 C ATOM 1055 CG MET A 72 1.007 9.738 -8.519 1.00 0.00 C ATOM 1056 SD MET A 72 -0.423 10.833 -8.608 1.00 0.00 S ATOM 1057 CE MET A 72 -0.831 10.997 -6.872 1.00 0.00 C ATOM 0 HA MET A 72 0.494 7.519 -9.740 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.008 8.623 -7.001 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.614 8.056 -7.344 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.819 10.248 -8.001 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.358 9.523 -9.528 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.552 11.804 -6.742 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.262 10.063 -6.510 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.072 11.224 -6.306 1.00 0.00 H new ATOM 1067 N ILE A 73 1.613 5.443 -8.933 1.00 0.00 N ATOM 1068 CA ILE A 73 2.151 4.133 -8.589 1.00 0.00 C ATOM 1069 C ILE A 73 3.652 4.206 -8.330 1.00 0.00 C ATOM 1070 O ILE A 73 4.376 4.934 -9.011 1.00 0.00 O ATOM 1071 CB ILE A 73 1.884 3.104 -9.704 1.00 0.00 C ATOM 1072 CG1 ILE A 73 0.382 2.998 -9.979 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.455 1.748 -9.320 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.126 4.026 -10.965 1.00 0.00 C ATOM 0 H ILE A 73 2.082 5.900 -9.715 1.00 0.00 H new ATOM 0 HA ILE A 73 1.643 3.812 -7.680 1.00 0.00 H new ATOM 0 HB ILE A 73 2.379 3.439 -10.615 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.160 2.001 -10.359 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.160 3.109 -9.040 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.259 1.031 -10.118 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.531 1.836 -9.168 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.986 1.403 -8.399 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.198 3.891 -11.112 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.064 5.027 -10.577 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.389 3.902 -11.918 1.00 0.00 H new ATOM 1086 N VAL A 74 4.115 3.447 -7.342 1.00 0.00 N ATOM 1087 CA VAL A 74 5.530 3.423 -6.995 1.00 0.00 C ATOM 1088 C VAL A 74 6.022 1.994 -6.791 1.00 0.00 C ATOM 1089 O VAL A 74 5.936 1.432 -5.699 1.00 0.00 O ATOM 1090 CB VAL A 74 5.809 4.237 -5.718 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.272 4.123 -5.319 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.415 5.693 -5.918 1.00 0.00 C ATOM 0 H VAL A 74 3.530 2.840 -6.768 1.00 0.00 H new ATOM 0 HA VAL A 74 6.068 3.874 -7.829 1.00 0.00 H new ATOM 0 HB VAL A 74 5.204 3.828 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.449 4.705 -4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.518 3.078 -5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.900 4.504 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.619 6.254 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.991 6.116 -6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.352 5.754 -6.151 1.00 0.00 H new ATOM 1102 N PRO A 75 6.552 1.391 -7.865 1.00 0.00 N ATOM 1103 CA PRO A 75 7.069 0.020 -7.829 1.00 0.00 C ATOM 1104 C PRO A 75 8.351 -0.094 -7.012 1.00 0.00 C ATOM 1105 O PRO A 75 8.817 0.885 -6.430 1.00 0.00 O ATOM 1106 CB PRO A 75 7.344 -0.294 -9.302 1.00 0.00 C ATOM 1107 CG PRO A 75 7.570 1.034 -9.937 1.00 0.00 C ATOM 1108 CD PRO A 75 6.686 2.002 -9.199 1.00 0.00 C ATOM 0 HA PRO A 75 6.368 -0.668 -7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.215 -0.939 -9.413 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.502 -0.814 -9.760 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.617 1.328 -9.864 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.319 1.007 -10.997 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.134 2.994 -9.144 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.719 2.116 -9.688 1.00 0.00 H new ATOM 1116 N ASN A 76 8.917 -1.296 -6.972 1.00 0.00 N ATOM 1117 CA ASN A 76 10.146 -1.538 -6.225 1.00 0.00 C ATOM 1118 C ASN A 76 9.932 -1.300 -4.734 1.00 0.00 C ATOM 1119 O ASN A 76 10.702 -0.584 -4.093 1.00 0.00 O ATOM 1120 CB ASN A 76 11.268 -0.634 -6.742 1.00 0.00 C ATOM 1121 CG ASN A 76 11.614 -0.914 -8.192 1.00 0.00 C ATOM 1122 OD1 ASN A 76 11.429 -2.028 -8.682 1.00 0.00 O ATOM 1123 ND2 ASN A 76 12.120 0.099 -8.885 1.00 0.00 N ATOM 0 H ASN A 76 8.544 -2.117 -7.448 1.00 0.00 H new ATOM 0 HA ASN A 76 10.431 -2.580 -6.371 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.968 0.409 -6.638 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.156 -0.773 -6.126 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.373 -0.029 -9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.256 1.005 -8.438 1.00 0.00 H new ATOM 1130 N ILE A 77 8.882 -1.905 -4.188 1.00 0.00 N ATOM 1131 CA ILE A 77 8.568 -1.760 -2.772 1.00 0.00 C ATOM 1132 C ILE A 77 8.758 -3.078 -2.029 1.00 0.00 C ATOM 1133 O ILE A 77 7.967 -4.009 -2.181 1.00 0.00 O ATOM 1134 CB ILE A 77 7.123 -1.269 -2.564 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.883 0.026 -3.343 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.843 -1.062 -1.083 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.536 0.655 -3.068 1.00 0.00 C ATOM 0 H ILE A 77 8.235 -2.500 -4.705 1.00 0.00 H new ATOM 0 HA ILE A 77 9.257 -1.017 -2.370 1.00 0.00 H new ATOM 0 HB ILE A 77 6.439 -2.029 -2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.667 0.741 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.968 -0.180 -4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.818 -0.715 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.978 -2.004 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.532 -0.318 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.435 1.569 -3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.745 -0.043 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.455 0.893 -2.007 1.00 0.00 H new ATOM 1149 N LYS A 78 9.812 -3.149 -1.223 1.00 0.00 N ATOM 1150 CA LYS A 78 10.106 -4.352 -0.452 1.00 0.00 C ATOM 1151 C LYS A 78 10.075 -4.060 1.044 1.00 0.00 C ATOM 1152 O LYS A 78 10.917 -4.548 1.798 1.00 0.00 O ATOM 1153 CB LYS A 78 11.474 -4.912 -0.846 1.00 0.00 C ATOM 1154 CG LYS A 78 11.566 -5.325 -2.304 1.00 0.00 C ATOM 1155 CD LYS A 78 11.011 -6.722 -2.525 1.00 0.00 C ATOM 1156 CE LYS A 78 11.463 -7.298 -3.858 1.00 0.00 C ATOM 1157 NZ LYS A 78 12.840 -7.861 -3.781 1.00 0.00 N ATOM 0 H LYS A 78 10.477 -2.388 -1.087 1.00 0.00 H new ATOM 0 HA LYS A 78 9.339 -5.094 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.237 -4.161 -0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.699 -5.774 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.017 -4.613 -2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.606 -5.291 -2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.337 -7.376 -1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.922 -6.691 -2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.769 -8.078 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.431 -6.519 -4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.111 -8.244 -4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.507 -7.111 -3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.865 -8.622 -3.072 1.00 0.00 H new ATOM 1171 N GLN A 79 9.100 -3.262 1.467 1.00 0.00 N ATOM 1172 CA GLN A 79 8.960 -2.906 2.875 1.00 0.00 C ATOM 1173 C GLN A 79 7.494 -2.909 3.294 1.00 0.00 C ATOM 1174 O GLN A 79 6.605 -3.140 2.476 1.00 0.00 O ATOM 1175 CB GLN A 79 9.576 -1.531 3.138 1.00 0.00 C ATOM 1176 CG GLN A 79 8.908 -0.407 2.363 1.00 0.00 C ATOM 1177 CD GLN A 79 9.315 -0.383 0.903 1.00 0.00 C ATOM 1178 OE1 GLN A 79 10.069 -1.240 0.443 1.00 0.00 O ATOM 1179 NE2 GLN A 79 8.815 0.602 0.165 1.00 0.00 N ATOM 0 H GLN A 79 8.395 -2.850 0.856 1.00 0.00 H new ATOM 0 HA GLN A 79 9.489 -3.653 3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.515 -1.312 4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.634 -1.561 2.879 1.00 0.00 H new ATOM 0 HG2 GLN A 79 7.826 -0.516 2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.163 0.548 2.823 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.193 1.291 0.588 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.053 0.669 -0.825 1.00 0.00 H new ATOM 1188 N ASN A 80 7.250 -2.652 4.575 1.00 0.00 N ATOM 1189 CA ASN A 80 5.891 -2.627 5.104 1.00 0.00 C ATOM 1190 C ASN A 80 5.412 -1.192 5.302 1.00 0.00 C ATOM 1191 O ASN A 80 4.425 -0.946 5.997 1.00 0.00 O ATOM 1192 CB ASN A 80 5.823 -3.387 6.430 1.00 0.00 C ATOM 1193 CG ASN A 80 5.596 -4.873 6.233 1.00 0.00 C ATOM 1194 OD1 ASN A 80 6.446 -5.575 5.685 1.00 0.00 O ATOM 1195 ND2 ASN A 80 4.444 -5.360 6.680 1.00 0.00 N ATOM 0 H ASN A 80 7.975 -2.458 5.266 1.00 0.00 H new ATOM 0 HA ASN A 80 5.237 -3.114 4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.751 -3.234 6.981 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.018 -2.977 7.040 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.235 -6.353 6.575 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.768 -4.741 7.128 1.00 0.00 H new ATOM 1202 N HIS A 81 6.116 -0.248 4.685 1.00 0.00 N ATOM 1203 CA HIS A 81 5.762 1.163 4.793 1.00 0.00 C ATOM 1204 C HIS A 81 6.612 2.010 3.850 1.00 0.00 C ATOM 1205 O HIS A 81 7.841 1.974 3.906 1.00 0.00 O ATOM 1206 CB HIS A 81 5.939 1.647 6.232 1.00 0.00 C ATOM 1207 CG HIS A 81 7.166 1.105 6.899 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.120 0.200 7.938 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.478 1.344 6.669 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.351 -0.093 8.319 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.194 0.588 7.564 1.00 0.00 N ATOM 0 H HIS A 81 6.934 -0.434 4.105 1.00 0.00 H new ATOM 0 HA HIS A 81 4.716 1.272 4.508 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.983 2.736 6.238 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.063 1.361 6.813 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.886 2.007 5.920 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.622 -0.774 9.113 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.211 0.557 7.634 1.00 0.00 H new ATOM 1220 N TYR A 82 5.949 2.769 2.985 1.00 0.00 N ATOM 1221 CA TYR A 82 6.643 3.622 2.028 1.00 0.00 C ATOM 1222 C TYR A 82 6.278 5.088 2.240 1.00 0.00 C ATOM 1223 O TYR A 82 5.102 5.453 2.252 1.00 0.00 O ATOM 1224 CB TYR A 82 6.303 3.202 0.598 1.00 0.00 C ATOM 1225 CG TYR A 82 7.030 4.003 -0.458 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.763 5.355 -0.640 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.984 3.409 -1.275 1.00 0.00 C ATOM 1228 CE1 TYR A 82 7.425 6.091 -1.604 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.652 4.137 -2.240 1.00 0.00 C ATOM 1230 CZ TYR A 82 8.369 5.478 -2.401 1.00 0.00 C ATOM 1231 OH TYR A 82 9.031 6.207 -3.362 1.00 0.00 O ATOM 0 H TYR A 82 4.932 2.811 2.927 1.00 0.00 H new ATOM 0 HA TYR A 82 7.715 3.506 2.188 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.544 2.147 0.471 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.229 3.304 0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.025 5.839 -0.017 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.207 2.359 -1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.204 7.140 -1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.392 3.659 -2.865 1.00 0.00 H new ATOM 0 HH TYR A 82 9.663 5.627 -3.835 1.00 0.00 H new ATOM 1241 N THR A 83 7.297 5.927 2.407 1.00 0.00 N ATOM 1242 CA THR A 83 7.085 7.353 2.620 1.00 0.00 C ATOM 1243 C THR A 83 6.943 8.091 1.293 1.00 0.00 C ATOM 1244 O THR A 83 7.923 8.294 0.576 1.00 0.00 O ATOM 1245 CB THR A 83 8.242 7.979 3.421 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.566 7.150 4.542 1.00 0.00 O ATOM 1247 CG2 THR A 83 7.873 9.373 3.905 1.00 0.00 C ATOM 0 H THR A 83 8.277 5.643 2.399 1.00 0.00 H new ATOM 0 HA THR A 83 6.162 7.454 3.190 1.00 0.00 H new ATOM 0 HB THR A 83 9.109 8.057 2.765 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.304 7.554 5.045 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.705 9.795 4.468 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.655 10.010 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.994 9.315 4.546 1.00 0.00 H new ATOM 1255 N VAL A 84 5.717 8.492 0.973 1.00 0.00 N ATOM 1256 CA VAL A 84 5.447 9.209 -0.267 1.00 0.00 C ATOM 1257 C VAL A 84 5.847 10.676 -0.152 1.00 0.00 C ATOM 1258 O VAL A 84 5.443 11.369 0.782 1.00 0.00 O ATOM 1259 CB VAL A 84 3.958 9.124 -0.652 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.701 9.862 -1.957 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.517 7.672 -0.756 1.00 0.00 C ATOM 0 H VAL A 84 4.895 8.332 1.555 1.00 0.00 H new ATOM 0 HA VAL A 84 6.044 8.732 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 84 3.370 9.603 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.644 9.791 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.977 10.910 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.298 9.414 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.462 7.631 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.109 7.166 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.663 7.178 0.204 1.00 0.00 H new ATOM 1271 N HIS A 85 6.645 11.143 -1.107 1.00 0.00 N ATOM 1272 CA HIS A 85 7.100 12.529 -1.114 1.00 0.00 C ATOM 1273 C HIS A 85 6.439 13.312 -2.244 1.00 0.00 C ATOM 1274 O HIS A 85 6.203 12.779 -3.327 1.00 0.00 O ATOM 1275 CB HIS A 85 8.621 12.587 -1.258 1.00 0.00 C ATOM 1276 CG HIS A 85 9.356 12.134 -0.035 1.00 0.00 C ATOM 1277 ND1 HIS A 85 10.558 12.679 0.367 1.00 0.00 N ATOM 1278 CD2 HIS A 85 9.053 11.182 0.879 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.963 12.081 1.473 1.00 0.00 C ATOM 1280 NE2 HIS A 85 10.067 11.168 1.805 1.00 0.00 N ATOM 0 H HIS A 85 6.990 10.582 -1.886 1.00 0.00 H new ATOM 0 HA HIS A 85 6.815 12.985 -0.166 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.922 11.967 -2.103 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.917 13.610 -1.492 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.177 10.551 0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.872 12.301 2.014 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.120 10.553 2.617 1.00 0.00 H new ATOM 1289 N GLY A 86 6.143 14.582 -1.983 1.00 0.00 N ATOM 1290 CA GLY A 86 5.511 15.417 -2.988 1.00 0.00 C ATOM 1291 C GLY A 86 4.002 15.443 -2.855 1.00 0.00 C ATOM 1292 O GLY A 86 3.281 15.246 -3.835 1.00 0.00 O ATOM 0 H GLY A 86 6.329 15.047 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.897 16.433 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.779 15.052 -3.980 1.00 0.00 H new ATOM 1296 N LEU A 87 3.520 15.685 -1.641 1.00 0.00 N ATOM 1297 CA LEU A 87 2.085 15.734 -1.383 1.00 0.00 C ATOM 1298 C LEU A 87 1.632 17.162 -1.097 1.00 0.00 C ATOM 1299 O LEU A 87 2.446 18.085 -1.055 1.00 0.00 O ATOM 1300 CB LEU A 87 1.728 14.828 -0.204 1.00 0.00 C ATOM 1301 CG LEU A 87 2.110 13.354 -0.350 1.00 0.00 C ATOM 1302 CD1 LEU A 87 1.963 12.630 0.979 1.00 0.00 C ATOM 1303 CD2 LEU A 87 1.259 12.686 -1.421 1.00 0.00 C ATOM 0 H LEU A 87 4.102 15.850 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 87 1.568 15.380 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.212 15.221 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.653 14.889 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 87 3.154 13.298 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.239 11.583 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.616 13.092 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.929 12.695 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.544 11.638 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.207 12.753 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.415 13.188 -2.376 1.00 0.00 H new ATOM 1315 N GLN A 88 0.329 17.336 -0.898 1.00 0.00 N ATOM 1316 CA GLN A 88 -0.231 18.651 -0.614 1.00 0.00 C ATOM 1317 C GLN A 88 -0.632 18.767 0.853 1.00 0.00 C ATOM 1318 O GLN A 88 -1.077 17.795 1.464 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.443 18.917 -1.508 1.00 0.00 C ATOM 1320 CG GLN A 88 -1.140 18.802 -2.993 1.00 0.00 C ATOM 1321 CD GLN A 88 -0.070 19.776 -3.448 1.00 0.00 C ATOM 1322 OE1 GLN A 88 0.123 20.830 -2.842 1.00 0.00 O ATOM 1323 NE2 GLN A 88 0.632 19.426 -4.519 1.00 0.00 N ATOM 0 H GLN A 88 -0.358 16.583 -0.928 1.00 0.00 H new ATOM 0 HA GLN A 88 0.536 19.397 -0.822 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.235 18.213 -1.252 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.825 19.916 -1.300 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.819 17.785 -3.217 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.053 18.980 -3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.437 18.542 -4.990 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.366 20.041 -4.871 1.00 0.00 H new ATOM 1332 N SER A 89 -0.470 19.962 1.413 1.00 0.00 N ATOM 1333 CA SER A 89 -0.811 20.203 2.810 1.00 0.00 C ATOM 1334 C SER A 89 -2.324 20.282 2.995 1.00 0.00 C ATOM 1335 O SER A 89 -3.046 20.732 2.106 1.00 0.00 O ATOM 1336 CB SER A 89 -0.159 21.497 3.300 1.00 0.00 C ATOM 1337 OG SER A 89 -0.469 22.582 2.442 1.00 0.00 O ATOM 0 H SER A 89 -0.105 20.777 0.921 1.00 0.00 H new ATOM 0 HA SER A 89 -0.433 19.367 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.501 21.720 4.311 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.922 21.367 3.350 1.00 0.00 H new ATOM 0 HG SER A 89 -0.042 23.397 2.778 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.796 19.840 4.156 1.00 0.00 N ATOM 1344 CA GLY A 90 -4.220 19.869 4.438 1.00 0.00 C ATOM 1345 C GLY A 90 -5.051 19.373 3.271 1.00 0.00 C ATOM 1346 O GLY A 90 -5.837 20.125 2.694 1.00 0.00 O ATOM 0 H GLY A 90 -2.218 19.462 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.427 19.255 5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.518 20.888 4.685 1.00 0.00 H new ATOM 1350 N THR A 91 -4.877 18.102 2.920 1.00 0.00 N ATOM 1351 CA THR A 91 -5.615 17.507 1.813 1.00 0.00 C ATOM 1352 C THR A 91 -5.772 16.003 2.003 1.00 0.00 C ATOM 1353 O THR A 91 -4.874 15.335 2.515 1.00 0.00 O ATOM 1354 CB THR A 91 -4.918 17.774 0.466 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.724 19.181 0.284 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.739 17.217 -0.688 1.00 0.00 C ATOM 0 H THR A 91 -4.231 17.465 3.387 1.00 0.00 H new ATOM 0 HA THR A 91 -6.600 17.973 1.802 1.00 0.00 H new ATOM 0 HB THR A 91 -3.950 17.273 0.478 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.017 19.494 0.886 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.227 17.418 -1.629 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.860 16.141 -0.563 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.719 17.693 -0.700 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.918 15.475 1.585 1.00 0.00 N ATOM 1365 CA ARG A 92 -7.193 14.049 1.710 1.00 0.00 C ATOM 1366 C ARG A 92 -6.357 13.246 0.718 1.00 0.00 C ATOM 1367 O ARG A 92 -6.082 13.704 -0.392 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.680 13.772 1.481 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.525 13.908 2.738 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.977 13.543 2.474 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.767 14.701 2.064 1.00 0.00 N ATOM 1372 CZ ARG A 92 -12.253 15.598 2.916 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -12.030 15.470 4.216 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -12.962 16.625 2.466 1.00 0.00 N ATOM 0 H ARG A 92 -7.671 16.014 1.157 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.924 13.740 2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.057 14.460 0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.796 12.764 1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.123 13.264 3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.467 14.932 3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.023 12.779 1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.411 13.109 3.375 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.956 14.828 1.070 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.484 14.682 4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.404 16.160 4.868 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.134 16.727 1.466 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.335 17.313 3.120 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.955 12.047 1.125 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.148 11.181 0.273 1.00 0.00 C ATOM 1390 C TYR A 93 -5.481 9.713 0.518 1.00 0.00 C ATOM 1391 O TYR A 93 -5.262 9.189 1.610 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.659 11.427 0.526 1.00 0.00 C ATOM 1393 CG TYR A 93 -3.085 12.562 -0.292 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -3.107 13.867 0.183 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.522 12.328 -1.541 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -2.584 14.907 -0.561 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -1.996 13.362 -2.292 1.00 0.00 C ATOM 1398 CZ TYR A 93 -2.030 14.649 -1.798 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.508 15.682 -2.543 1.00 0.00 O ATOM 0 H TYR A 93 -6.175 11.653 2.040 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.378 11.418 -0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.509 11.641 1.584 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.106 10.514 0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.540 14.072 1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.495 11.321 -1.931 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.609 15.916 -0.177 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.561 13.163 -3.260 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.951 15.318 -3.262 1.00 0.00 H new ATOM 1409 N ILE A 94 -6.010 9.055 -0.508 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.372 7.646 -0.407 1.00 0.00 C ATOM 1411 C ILE A 94 -5.209 6.749 -0.816 1.00 0.00 C ATOM 1412 O ILE A 94 -4.523 7.016 -1.803 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.595 7.315 -1.282 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.830 8.064 -0.777 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.847 5.815 -1.294 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -10.043 7.897 -1.665 1.00 0.00 C ATOM 0 H ILE A 94 -6.198 9.475 -1.419 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.622 7.458 0.637 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.390 7.638 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.073 7.713 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.593 9.125 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.715 5.597 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.973 5.302 -1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.034 5.469 -0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.880 8.455 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.818 8.275 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.306 6.841 -1.727 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.995 5.683 -0.052 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.915 4.744 -0.336 1.00 0.00 C ATOM 1430 C PHE A 95 -4.460 3.334 -0.540 1.00 0.00 C ATOM 1431 O PHE A 95 -5.367 2.899 0.171 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.894 4.749 0.804 1.00 0.00 C ATOM 1433 CG PHE A 95 -2.205 6.072 0.986 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.774 7.062 1.771 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.989 6.324 0.372 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -2.143 8.280 1.941 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -0.353 7.540 0.539 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.931 8.519 1.323 1.00 0.00 C ATOM 0 H PHE A 95 -5.554 5.448 0.768 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.424 5.061 -1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.397 4.480 1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.144 3.981 0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.722 6.880 2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.533 5.563 -0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.597 9.043 2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.596 7.724 0.057 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.436 9.470 1.453 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.901 2.625 -1.514 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.330 1.264 -1.811 1.00 0.00 C ATOM 1450 C ILE A 96 -3.141 0.380 -2.175 1.00 0.00 C ATOM 1451 O ILE A 96 -2.578 0.496 -3.264 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.349 1.234 -2.965 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.681 1.839 -2.514 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.549 -0.191 -3.459 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.467 2.475 -3.638 1.00 0.00 C ATOM 0 H ILE A 96 -3.150 2.970 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.804 0.879 -0.908 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.960 1.832 -3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.287 1.059 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.489 2.589 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.272 -0.195 -4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.599 -0.590 -3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.920 -0.811 -2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.399 2.883 -3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -6.879 3.277 -4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.690 1.724 -4.396 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.766 -0.504 -1.257 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.646 -1.411 -1.482 1.00 0.00 C ATOM 1469 C VAL A 97 -2.081 -2.633 -2.284 1.00 0.00 C ATOM 1470 O VAL A 97 -3.180 -3.154 -2.096 1.00 0.00 O ATOM 1471 CB VAL A 97 -1.026 -1.878 -0.151 1.00 0.00 C ATOM 1472 CG1 VAL A 97 0.037 -2.937 -0.400 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.445 -0.696 0.609 1.00 0.00 C ATOM 0 H VAL A 97 -3.221 -0.612 -0.350 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.898 -0.856 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.812 -2.323 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.464 -3.255 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.414 -3.794 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.824 -2.522 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.011 -1.044 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.328 -0.220 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.235 0.025 0.820 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.210 -3.086 -3.179 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.501 -4.248 -4.010 1.00 0.00 C ATOM 1485 C LYS A 98 -0.386 -5.283 -3.908 1.00 0.00 C ATOM 1486 O LYS A 98 0.761 -5.011 -4.260 1.00 0.00 O ATOM 1487 CB LYS A 98 -1.685 -3.824 -5.469 1.00 0.00 C ATOM 1488 CG LYS A 98 -1.775 -4.992 -6.436 1.00 0.00 C ATOM 1489 CD LYS A 98 -1.215 -4.631 -7.801 1.00 0.00 C ATOM 1490 CE LYS A 98 -2.279 -4.007 -8.692 1.00 0.00 C ATOM 1491 NZ LYS A 98 -1.686 -3.375 -9.903 1.00 0.00 N ATOM 0 H LYS A 98 -0.296 -2.666 -3.348 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.425 -4.699 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.591 -3.224 -5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.851 -3.185 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.228 -5.843 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.815 -5.301 -6.539 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.384 -3.935 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.816 -5.525 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.994 -4.772 -8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.834 -3.258 -8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.443 -2.961 -10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.023 -2.628 -9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.178 -4.094 -10.457 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.731 -6.472 -3.424 1.00 0.00 N ATOM 1506 CA ALA A 99 0.240 -7.549 -3.279 1.00 0.00 C ATOM 1507 C ALA A 99 0.354 -8.362 -4.564 1.00 0.00 C ATOM 1508 O ALA A 99 -0.561 -9.102 -4.925 1.00 0.00 O ATOM 1509 CB ALA A 99 -0.142 -8.450 -2.114 1.00 0.00 C ATOM 0 H ALA A 99 -1.676 -6.713 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 99 1.213 -7.103 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.592 -9.250 -2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.165 -7.865 -1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.127 -8.881 -2.295 1.00 0.00 H new ATOM 1515 N ILE A 100 1.483 -8.219 -5.250 1.00 0.00 N ATOM 1516 CA ILE A 100 1.716 -8.941 -6.495 1.00 0.00 C ATOM 1517 C ILE A 100 2.703 -10.086 -6.290 1.00 0.00 C ATOM 1518 O ILE A 100 3.699 -9.941 -5.583 1.00 0.00 O ATOM 1519 CB ILE A 100 2.253 -8.007 -7.595 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.252 -6.884 -7.874 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.540 -8.795 -8.865 1.00 0.00 C ATOM 1522 CD1 ILE A 100 1.896 -5.611 -8.377 1.00 0.00 C ATOM 0 H ILE A 100 2.250 -7.610 -4.965 1.00 0.00 H new ATOM 0 HA ILE A 100 0.754 -9.345 -6.810 1.00 0.00 H new ATOM 0 HB ILE A 100 3.185 -7.560 -7.249 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.526 -7.230 -8.610 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.700 -6.665 -6.960 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.919 -8.121 -9.633 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.285 -9.563 -8.656 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.622 -9.266 -9.216 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.127 -4.859 -8.553 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.601 -5.241 -7.632 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.425 -5.814 -9.308 1.00 0.00 H new ATOM 1534 N ASN A 101 2.419 -11.224 -6.915 1.00 0.00 N ATOM 1535 CA ASN A 101 3.282 -12.394 -6.802 1.00 0.00 C ATOM 1536 C ASN A 101 3.314 -13.174 -8.113 1.00 0.00 C ATOM 1537 O ASN A 101 2.694 -12.776 -9.098 1.00 0.00 O ATOM 1538 CB ASN A 101 2.801 -13.301 -5.667 1.00 0.00 C ATOM 1539 CG ASN A 101 1.497 -13.999 -5.999 1.00 0.00 C ATOM 1540 OD1 ASN A 101 1.059 -14.008 -7.149 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.869 -14.589 -4.988 1.00 0.00 N ATOM 0 H ASN A 101 1.598 -11.361 -7.505 1.00 0.00 H new ATOM 0 HA ASN A 101 4.292 -12.050 -6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.566 -14.048 -5.453 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.672 -12.708 -4.761 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.013 -15.075 -5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.269 -14.556 -4.050 1.00 0.00 H new ATOM 1548 N GLN A 102 4.041 -14.287 -8.115 1.00 0.00 N ATOM 1549 CA GLN A 102 4.153 -15.123 -9.304 1.00 0.00 C ATOM 1550 C GLN A 102 2.775 -15.516 -9.826 1.00 0.00 C ATOM 1551 O GLN A 102 2.561 -15.606 -11.034 1.00 0.00 O ATOM 1552 CB GLN A 102 4.972 -16.378 -8.996 1.00 0.00 C ATOM 1553 CG GLN A 102 4.699 -17.532 -9.947 1.00 0.00 C ATOM 1554 CD GLN A 102 5.905 -18.431 -10.135 1.00 0.00 C ATOM 1555 OE1 GLN A 102 6.733 -18.575 -9.236 1.00 0.00 O ATOM 1556 NE2 GLN A 102 6.010 -19.041 -11.310 1.00 0.00 N ATOM 0 H GLN A 102 4.561 -14.630 -7.307 1.00 0.00 H new ATOM 0 HA GLN A 102 4.662 -14.546 -10.076 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.032 -16.128 -9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.758 -16.700 -7.977 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.866 -18.123 -9.566 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.392 -17.135 -10.915 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.300 -18.893 -12.027 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.801 -19.658 -11.495 1.00 0.00 H new ATOM 1565 N ALA A 103 1.845 -15.750 -8.906 1.00 0.00 N ATOM 1566 CA ALA A 103 0.487 -16.132 -9.273 1.00 0.00 C ATOM 1567 C ALA A 103 -0.253 -14.970 -9.927 1.00 0.00 C ATOM 1568 O ALA A 103 -0.476 -14.965 -11.137 1.00 0.00 O ATOM 1569 CB ALA A 103 -0.273 -16.623 -8.050 1.00 0.00 C ATOM 0 H ALA A 103 2.007 -15.682 -7.901 1.00 0.00 H new ATOM 0 HA ALA A 103 0.549 -16.943 -9.998 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.285 -16.905 -8.340 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.238 -17.488 -7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.317 -15.828 -7.305 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.632 -13.986 -9.117 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.344 -12.832 -9.635 1.00 0.00 C ATOM 1577 C GLY A 104 -1.178 -11.607 -8.758 1.00 0.00 C ATOM 1578 O GLY A 104 -0.072 -11.296 -8.316 1.00 0.00 O ATOM 0 H GLY A 104 -0.459 -13.967 -8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.984 -12.608 -10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.404 -13.072 -9.722 1.00 0.00 H new ATOM 1582 N SER A 105 -2.280 -10.907 -8.507 1.00 0.00 N ATOM 1583 CA SER A 105 -2.251 -9.706 -7.681 1.00 0.00 C ATOM 1584 C SER A 105 -3.528 -9.583 -6.855 1.00 0.00 C ATOM 1585 O SER A 105 -4.578 -10.103 -7.234 1.00 0.00 O ATOM 1586 CB SER A 105 -2.076 -8.463 -8.557 1.00 0.00 C ATOM 1587 OG SER A 105 -2.910 -8.525 -9.702 1.00 0.00 O ATOM 0 H SER A 105 -3.204 -11.151 -8.864 1.00 0.00 H new ATOM 0 HA SER A 105 -1.404 -9.785 -6.999 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.313 -7.570 -7.978 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.034 -8.376 -8.866 1.00 0.00 H new ATOM 0 HG SER A 105 -2.781 -7.719 -10.245 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.429 -8.893 -5.724 1.00 0.00 N ATOM 1594 CA ARG A 106 -4.575 -8.703 -4.842 1.00 0.00 C ATOM 1595 C ARG A 106 -4.573 -7.299 -4.244 1.00 0.00 C ATOM 1596 O ARG A 106 -3.752 -6.981 -3.385 1.00 0.00 O ATOM 1597 CB ARG A 106 -4.563 -9.746 -3.723 1.00 0.00 C ATOM 1598 CG ARG A 106 -5.886 -9.860 -2.984 1.00 0.00 C ATOM 1599 CD ARG A 106 -6.978 -10.424 -3.879 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.157 -10.826 -3.117 1.00 0.00 N ATOM 1601 CZ ARG A 106 -9.310 -11.175 -3.677 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -9.438 -11.171 -4.997 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -10.338 -11.529 -2.917 1.00 0.00 N ATOM 0 H ARG A 106 -2.567 -8.456 -5.396 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.482 -8.826 -5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.308 -10.718 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.779 -9.493 -3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.762 -10.501 -2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.185 -8.878 -2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.262 -9.676 -4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -6.590 -11.283 -4.427 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.092 -10.840 -2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.650 -10.900 -5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.324 -11.439 -5.424 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.244 -11.533 -1.901 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.223 -11.797 -3.348 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.499 -6.464 -4.705 1.00 0.00 N ATOM 1618 CA ASN A 107 -5.604 -5.094 -4.216 1.00 0.00 C ATOM 1619 C ASN A 107 -6.477 -5.027 -2.967 1.00 0.00 C ATOM 1620 O ASN A 107 -7.540 -5.645 -2.907 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.179 -4.185 -5.304 1.00 0.00 C ATOM 1622 CG ASN A 107 -7.695 -4.223 -5.347 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -8.292 -5.252 -5.662 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -8.324 -3.097 -5.029 1.00 0.00 N ATOM 0 H ASN A 107 -6.187 -6.712 -5.416 1.00 0.00 H new ATOM 0 HA ASN A 107 -4.603 -4.750 -3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.849 -3.161 -5.130 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.783 -4.488 -6.273 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.343 -3.062 -5.040 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.788 -2.268 -4.774 1.00 0.00 H new ATOM 1631 N SER A 108 -6.021 -4.273 -1.972 1.00 0.00 N ATOM 1632 CA SER A 108 -6.759 -4.127 -0.723 1.00 0.00 C ATOM 1633 C SER A 108 -7.753 -2.973 -0.810 1.00 0.00 C ATOM 1634 O SER A 108 -7.805 -2.260 -1.811 1.00 0.00 O ATOM 1635 CB SER A 108 -5.793 -3.897 0.441 1.00 0.00 C ATOM 1636 OG SER A 108 -6.467 -3.967 1.685 1.00 0.00 O ATOM 0 H SER A 108 -5.144 -3.754 -2.007 1.00 0.00 H new ATOM 0 HA SER A 108 -7.314 -5.049 -0.548 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.999 -4.643 0.412 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.318 -2.922 0.336 1.00 0.00 H new ATOM 0 HG SER A 108 -5.903 -4.433 2.337 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.539 -2.796 0.247 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.532 -1.729 0.290 1.00 0.00 C ATOM 1644 C GLU A 109 -8.859 -0.364 0.397 1.00 0.00 C ATOM 1645 O GLU A 109 -7.763 -0.225 0.941 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.484 -1.935 1.471 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.539 -3.000 1.223 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.422 -3.238 2.433 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -13.396 -2.479 2.616 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -12.138 -4.185 3.196 1.00 0.00 O ATOM 0 H GLU A 109 -8.508 -3.377 1.085 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.103 -1.761 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.903 -2.209 2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.979 -0.991 1.697 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.159 -2.702 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.050 -3.934 0.946 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.529 0.669 -0.134 1.00 0.00 N ATOM 1658 CA PRO A 110 -9.016 2.042 -0.112 1.00 0.00 C ATOM 1659 C PRO A 110 -9.016 2.638 1.292 1.00 0.00 C ATOM 1660 O PRO A 110 -10.055 2.708 1.949 1.00 0.00 O ATOM 1661 CB PRO A 110 -9.992 2.801 -1.014 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.255 2.014 -0.952 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.841 0.577 -0.798 1.00 0.00 C ATOM 0 HA PRO A 110 -7.979 2.094 -0.444 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.144 3.822 -0.663 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.617 2.868 -2.035 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.873 2.334 -0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.847 2.155 -1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.557 0.015 -0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.769 0.074 -1.762 1.00 0.00 H new ATOM 1671 N THR A 111 -7.843 3.067 1.748 1.00 0.00 N ATOM 1672 CA THR A 111 -7.708 3.656 3.074 1.00 0.00 C ATOM 1673 C THR A 111 -7.591 5.174 2.992 1.00 0.00 C ATOM 1674 O THR A 111 -6.588 5.705 2.515 1.00 0.00 O ATOM 1675 CB THR A 111 -6.477 3.098 3.813 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.739 1.763 4.261 1.00 0.00 O ATOM 1677 CG2 THR A 111 -6.117 3.975 5.003 1.00 0.00 C ATOM 0 H THR A 111 -6.973 3.017 1.218 1.00 0.00 H new ATOM 0 HA THR A 111 -8.608 3.393 3.630 1.00 0.00 H new ATOM 0 HB THR A 111 -5.636 3.091 3.119 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.360 1.638 5.156 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.245 3.561 5.509 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.891 4.983 4.657 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.957 4.009 5.697 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.624 5.868 3.460 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.637 7.326 3.439 1.00 0.00 C ATOM 1687 C ARG A 112 -7.706 7.893 4.507 1.00 0.00 C ATOM 1688 O ARG A 112 -7.612 7.358 5.612 1.00 0.00 O ATOM 1689 CB ARG A 112 -10.058 7.847 3.657 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.846 8.024 2.369 1.00 0.00 C ATOM 1691 CD ARG A 112 -10.673 9.423 1.798 1.00 0.00 C ATOM 1692 NE ARG A 112 -11.462 10.413 2.527 1.00 0.00 N ATOM 1693 CZ ARG A 112 -12.790 10.436 2.532 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -13.474 9.526 1.852 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -13.436 11.369 3.219 1.00 0.00 N ATOM 0 H ARG A 112 -9.462 5.444 3.858 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.283 7.654 2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.593 7.156 4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.009 8.803 4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.517 7.287 1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.903 7.835 2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.620 9.701 1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -10.968 9.425 0.749 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.966 11.126 3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.980 8.807 1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.494 9.545 1.857 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.913 12.070 3.744 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.456 11.386 3.222 1.00 0.00 H new ATOM 1709 N LEU A 113 -7.020 8.980 4.169 1.00 0.00 N ATOM 1710 CA LEU A 113 -6.096 9.621 5.098 1.00 0.00 C ATOM 1711 C LEU A 113 -6.055 11.129 4.873 1.00 0.00 C ATOM 1712 O LEU A 113 -6.414 11.617 3.801 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.693 9.032 4.940 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.585 7.512 5.066 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -3.177 7.047 4.730 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.977 7.063 6.466 1.00 0.00 C ATOM 0 H LEU A 113 -7.086 9.435 3.259 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.451 9.433 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.306 9.324 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.044 9.486 5.689 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.275 7.058 4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.119 5.963 4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.933 7.335 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.468 7.510 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.894 5.978 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.313 7.526 7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.005 7.362 6.670 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.614 11.862 5.889 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.522 13.315 5.802 1.00 0.00 C ATOM 1730 C LYS A 114 -4.203 13.812 6.384 1.00 0.00 C ATOM 1731 O LYS A 114 -3.712 13.280 7.380 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.695 13.965 6.539 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.982 13.992 5.732 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.902 15.111 6.188 1.00 0.00 C ATOM 1735 CE LYS A 114 -8.554 16.429 5.512 1.00 0.00 C ATOM 1736 NZ LYS A 114 -9.596 17.467 5.751 1.00 0.00 N ATOM 0 H LYS A 114 -5.314 11.474 6.783 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.562 13.595 4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.871 13.426 7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.423 14.986 6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.747 14.120 4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.495 13.035 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.936 14.848 5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.829 15.225 7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.594 16.786 5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.440 16.268 4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.375 18.316 5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.526 17.098 5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.616 17.713 6.761 1.00 0.00 H new ATOM 1750 N THR A 115 -3.634 14.837 5.757 1.00 0.00 N ATOM 1751 CA THR A 115 -2.372 15.407 6.213 1.00 0.00 C ATOM 1752 C THR A 115 -2.607 16.523 7.225 1.00 0.00 C ATOM 1753 O THR A 115 -3.747 16.882 7.514 1.00 0.00 O ATOM 1754 CB THR A 115 -1.549 15.962 5.036 1.00 0.00 C ATOM 1755 OG1 THR A 115 -2.332 16.899 4.288 1.00 0.00 O ATOM 1756 CG2 THR A 115 -1.086 14.838 4.122 1.00 0.00 C ATOM 0 H THR A 115 -4.027 15.289 4.932 1.00 0.00 H new ATOM 0 HA THR A 115 -1.814 14.600 6.689 1.00 0.00 H new ATOM 0 HB THR A 115 -0.671 16.465 5.442 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.888 17.089 3.435 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.507 15.254 3.298 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.465 14.142 4.687 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.954 14.311 3.725 1.00 0.00 H new ATOM 1764 N ASN A 116 -1.519 17.068 7.760 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.607 18.144 8.741 1.00 0.00 C ATOM 1766 C ASN A 116 -1.723 19.500 8.052 1.00 0.00 C ATOM 1767 O ASN A 116 -1.006 19.783 7.092 1.00 0.00 O ATOM 1768 CB ASN A 116 -0.381 18.128 9.657 1.00 0.00 C ATOM 1769 CG ASN A 116 -0.288 16.855 10.476 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -1.302 16.303 10.903 1.00 0.00 O ATOM 1771 ND2 ASN A 116 0.933 16.383 10.699 1.00 0.00 N ATOM 0 H ASN A 116 -0.567 16.783 7.531 1.00 0.00 H new ATOM 0 HA ASN A 116 -2.503 17.983 9.341 1.00 0.00 H new ATOM 0 HB2 ASN A 116 0.521 18.236 9.054 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -0.421 18.986 10.328 1.00 0.00 H new ATOM 0 HD21 ASN A 116 1.058 15.530 11.244 1.00 0.00 H new ATOM 0 HD22 ASN A 116 1.746 16.874 10.325 1.00 0.00 H new