USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 881 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 102 ASN :FLIP amide:sc= -5.88! C(o=-16!,f=-8.8!) USER MOD Set 1.2: A 103 ASN : amide:sc= -2.9 K(o=-8.8,f=-12!) USER MOD Set 2.1: A 100 GLN : amide:sc= -3.86! C(o=-5!,f=-13!) USER MOD Set 2.2: A 113 TYR OH : rot 89:sc= -1.17 USER MOD Set 3.1: A 46 GLN : amide:sc= -0.245 X(o=-1.7,f=-1.4) USER MOD Set 3.2: A 114 GLN : amide:sc= -1.43 X(o=-1.7,f=-2.2) USER MOD Set 4.1: A 34 SER OG : rot -155:sc= -0.717 USER MOD Set 4.2: A 36 GLN : amide:sc= -4.11! C(o=-4.8!,f=-6.8!) USER MOD Single : A 18 LYS NZ :NH3+ -108:sc= -2.86! (180deg=-5.32!) USER MOD Single : A 21 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.2) USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= -0.158 (180deg=-0.891) USER MOD Single : A 25 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.41) USER MOD Single : A 28 SER OG : rot 71:sc= 0.857 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 MET CE :methyl -167:sc= -0.0221 (180deg=-0.291) USER MOD Single : A 39 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.2) USER MOD Single : A 40 THR OG1 : rot 70:sc= -0.673 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.136 F(o=-2.3!,f=-0.14) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.372 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.12) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 63:sc= -3.1! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0399 USER MOD Single : A 69 SER OG : rot 80:sc= 0.355 USER MOD Single : A 71 HIS : no HD1:sc= -4.6! C(o=-4.6!,f=-8.4!) USER MOD Single : A 72 HIS : no HE2:sc= -3.91! C(o=-3.9!,f=-6.3!) USER MOD Single : A 73 GLN : amide:sc= -1.29! C(o=-1.3!,f=-1.3!) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.46 F(o=-3.7!,f=-1.5) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.271 USER MOD Single : A 84 THR OG1 : rot -58:sc= -0.66 USER MOD Single : A 88 THR OG1 : rot -59:sc= 0.294 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 GLN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 127 SER OG : rot 73:sc= 1.1 USER MOD Single : A 129 LYS NZ :NH3+ 150:sc= -2.17 (180deg=-6.18!) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 18 -2.055 17.495 -4.371 1.00 0.00 N ATOM 271 CA LYS A 18 -3.016 17.166 -5.464 1.00 0.00 C ATOM 272 C LYS A 18 -3.112 15.645 -5.620 1.00 0.00 C ATOM 273 O LYS A 18 -4.027 15.127 -6.229 1.00 0.00 O ATOM 274 CB LYS A 18 -2.524 17.783 -6.775 1.00 0.00 C ATOM 275 CG LYS A 18 -1.135 17.232 -7.109 1.00 0.00 C ATOM 276 CD LYS A 18 -0.485 18.095 -8.195 1.00 0.00 C ATOM 277 CE LYS A 18 -1.386 18.143 -9.433 1.00 0.00 C ATOM 278 NZ LYS A 18 -2.478 19.134 -9.216 1.00 0.00 N ATOM 0 HA LYS A 18 -3.999 17.568 -5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.221 17.554 -7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.485 18.869 -6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.511 17.225 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.215 16.200 -7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.317 19.104 -7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.490 17.687 -8.460 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.801 18.417 -10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.809 17.157 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.379 18.633 -9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.266 19.706 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.553 19.756 -10.046 1.00 0.00 H new ATOM 292 N ASP A 19 -2.156 14.934 -5.093 1.00 0.00 N ATOM 293 CA ASP A 19 -2.152 13.448 -5.221 1.00 0.00 C ATOM 294 C ASP A 19 -3.353 12.817 -4.516 1.00 0.00 C ATOM 295 O ASP A 19 -4.365 12.504 -5.120 1.00 0.00 O ATOM 296 CB ASP A 19 -0.882 12.914 -4.564 1.00 0.00 C ATOM 297 CG ASP A 19 -0.876 11.384 -4.613 1.00 0.00 C ATOM 298 OD1 ASP A 19 -1.581 10.834 -5.444 1.00 0.00 O ATOM 299 OD2 ASP A 19 -0.166 10.789 -3.820 1.00 0.00 O ATOM 0 H ASP A 19 -1.368 15.322 -4.573 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.200 13.195 -6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.004 13.307 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.826 13.254 -3.530 1.00 0.00 H new ATOM 304 N LEU A 20 -3.235 12.605 -3.231 1.00 0.00 N ATOM 305 CA LEU A 20 -4.342 11.965 -2.476 1.00 0.00 C ATOM 306 C LEU A 20 -5.635 12.758 -2.693 1.00 0.00 C ATOM 307 O LEU A 20 -6.699 12.191 -2.810 1.00 0.00 O ATOM 308 CB LEU A 20 -4.003 11.864 -0.958 1.00 0.00 C ATOM 309 CG LEU A 20 -2.650 12.527 -0.643 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.532 12.744 0.869 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.501 11.620 -1.115 1.00 0.00 C ATOM 0 H LEU A 20 -2.416 12.850 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.479 10.950 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.790 12.343 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.976 10.816 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.590 13.484 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.575 13.213 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.342 13.390 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.595 11.784 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.546 12.095 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.560 10.661 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.582 11.461 -2.190 1.00 0.00 H new ATOM 323 N GLN A 21 -5.558 14.063 -2.736 1.00 0.00 N ATOM 324 CA GLN A 21 -6.794 14.881 -2.946 1.00 0.00 C ATOM 325 C GLN A 21 -7.667 14.218 -4.024 1.00 0.00 C ATOM 326 O GLN A 21 -8.837 13.924 -3.819 1.00 0.00 O ATOM 327 CB GLN A 21 -6.392 16.287 -3.401 1.00 0.00 C ATOM 328 CG GLN A 21 -7.584 17.235 -3.261 1.00 0.00 C ATOM 329 CD GLN A 21 -7.862 17.497 -1.778 1.00 0.00 C ATOM 330 OE1 GLN A 21 -8.976 17.340 -1.321 1.00 0.00 O ATOM 331 NE2 GLN A 21 -6.889 17.893 -1.003 1.00 0.00 N ATOM 0 H GLN A 21 -4.696 14.598 -2.635 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.358 14.946 -2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.556 16.648 -2.802 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.055 16.262 -4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.376 18.174 -3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.464 16.801 -3.735 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.953 18.025 -1.386 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.065 18.070 -0.014 1.00 0.00 H new ATOM 340 N ALA A 22 -7.093 13.955 -5.164 1.00 0.00 N ATOM 341 CA ALA A 22 -7.882 13.295 -6.237 1.00 0.00 C ATOM 342 C ALA A 22 -8.386 11.949 -5.706 1.00 0.00 C ATOM 343 O ALA A 22 -9.483 11.522 -6.032 1.00 0.00 O ATOM 344 CB ALA A 22 -7.045 13.116 -7.505 1.00 0.00 C ATOM 0 H ALA A 22 -6.123 14.166 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.732 13.921 -6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.647 12.631 -8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.716 14.091 -7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.175 12.498 -7.282 1.00 0.00 H new ATOM 350 N ILE A 23 -7.664 11.301 -4.827 1.00 0.00 N ATOM 351 CA ILE A 23 -8.234 10.045 -4.264 1.00 0.00 C ATOM 352 C ILE A 23 -9.395 10.482 -3.368 1.00 0.00 C ATOM 353 O ILE A 23 -10.519 10.073 -3.574 1.00 0.00 O ATOM 354 CB ILE A 23 -7.193 9.240 -3.469 1.00 0.00 C ATOM 355 CG1 ILE A 23 -6.245 8.522 -4.454 1.00 0.00 C ATOM 356 CG2 ILE A 23 -7.902 8.203 -2.581 1.00 0.00 C ATOM 357 CD1 ILE A 23 -5.692 9.531 -5.465 1.00 0.00 C ATOM 0 H ILE A 23 -6.742 11.574 -4.487 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.565 9.379 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.618 9.915 -2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.426 8.052 -3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.779 7.727 -4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.159 7.636 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.569 8.714 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.481 7.524 -3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.023 9.022 -6.159 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.516 9.980 -6.019 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.142 10.311 -4.938 1.00 0.00 H new ATOM 369 N LYS A 24 -9.141 11.313 -2.372 1.00 0.00 N ATOM 370 CA LYS A 24 -10.228 11.802 -1.465 1.00 0.00 C ATOM 371 C LYS A 24 -11.491 12.196 -2.250 1.00 0.00 C ATOM 372 O LYS A 24 -12.530 12.446 -1.668 1.00 0.00 O ATOM 373 CB LYS A 24 -9.712 13.050 -0.729 1.00 0.00 C ATOM 374 CG LYS A 24 -8.771 12.645 0.425 1.00 0.00 C ATOM 375 CD LYS A 24 -9.581 12.397 1.705 1.00 0.00 C ATOM 376 CE LYS A 24 -8.632 12.100 2.868 1.00 0.00 C ATOM 377 NZ LYS A 24 -7.698 13.247 3.059 1.00 0.00 N ATOM 0 H LYS A 24 -8.213 11.674 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.488 10.999 -0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.183 13.699 -1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.553 13.622 -0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.219 11.745 0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.036 13.431 0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.191 13.270 1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.264 11.560 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.202 11.927 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.068 11.189 2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.362 13.261 4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.886 13.144 2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.194 14.137 2.849 1.00 0.00 H new ATOM 391 N GLN A 25 -11.450 12.217 -3.556 1.00 0.00 N ATOM 392 CA GLN A 25 -12.687 12.572 -4.318 1.00 0.00 C ATOM 393 C GLN A 25 -13.479 11.290 -4.618 1.00 0.00 C ATOM 394 O GLN A 25 -14.677 11.172 -4.382 1.00 0.00 O ATOM 395 CB GLN A 25 -12.284 13.216 -5.648 1.00 0.00 C ATOM 396 CG GLN A 25 -11.711 14.613 -5.390 1.00 0.00 C ATOM 397 CD GLN A 25 -12.840 15.557 -4.968 1.00 0.00 C ATOM 398 OE1 GLN A 25 -13.063 15.767 -3.792 1.00 0.00 O ATOM 399 NE2 GLN A 25 -13.568 16.138 -5.883 1.00 0.00 N ATOM 0 H GLN A 25 -10.628 12.008 -4.123 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.295 13.261 -3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.544 12.596 -6.154 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -13.149 13.283 -6.308 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.950 14.568 -4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.224 14.990 -6.289 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.382 15.963 -6.870 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.323 16.767 -5.610 1.00 0.00 H new ATOM 408 N GLU A 26 -12.770 10.320 -5.130 1.00 0.00 N ATOM 409 CA GLU A 26 -13.383 9.005 -5.484 1.00 0.00 C ATOM 410 C GLU A 26 -13.882 8.276 -4.234 1.00 0.00 C ATOM 411 O GLU A 26 -14.729 7.397 -4.303 1.00 0.00 O ATOM 412 CB GLU A 26 -12.321 8.151 -6.161 1.00 0.00 C ATOM 413 CG GLU A 26 -11.905 8.805 -7.479 1.00 0.00 C ATOM 414 CD GLU A 26 -13.063 8.721 -8.475 1.00 0.00 C ATOM 415 OE1 GLU A 26 -13.809 7.759 -8.405 1.00 0.00 O ATOM 416 OE2 GLU A 26 -13.183 9.621 -9.290 1.00 0.00 O ATOM 0 H GLU A 26 -11.770 10.385 -5.322 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.233 9.175 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.455 8.042 -5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.708 7.149 -6.346 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.631 9.846 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.025 8.305 -7.884 1.00 0.00 H new ATOM 423 N VAL A 27 -13.445 8.681 -3.080 1.00 0.00 N ATOM 424 CA VAL A 27 -13.945 8.061 -1.828 1.00 0.00 C ATOM 425 C VAL A 27 -14.918 9.060 -1.228 1.00 0.00 C ATOM 426 O VAL A 27 -15.762 8.708 -0.428 1.00 0.00 O ATOM 427 CB VAL A 27 -12.796 7.792 -0.861 1.00 0.00 C ATOM 428 CG1 VAL A 27 -12.069 9.092 -0.582 1.00 0.00 C ATOM 429 CG2 VAL A 27 -13.351 7.226 0.448 1.00 0.00 C ATOM 0 H VAL A 27 -12.756 9.422 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.424 7.102 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.106 7.072 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.246 8.908 0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.676 9.497 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.761 9.808 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.530 7.034 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.039 7.945 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.881 6.295 0.246 1.00 0.00 H new ATOM 439 N SER A 28 -14.889 10.296 -1.685 1.00 0.00 N ATOM 440 CA SER A 28 -15.909 11.265 -1.206 1.00 0.00 C ATOM 441 C SER A 28 -17.081 11.070 -2.165 1.00 0.00 C ATOM 442 O SER A 28 -18.036 11.820 -2.207 1.00 0.00 O ATOM 443 CB SER A 28 -15.386 12.696 -1.330 1.00 0.00 C ATOM 444 OG SER A 28 -14.409 12.932 -0.325 1.00 0.00 O ATOM 0 H SER A 28 -14.213 10.661 -2.356 1.00 0.00 H new ATOM 0 HA SER A 28 -16.173 11.106 -0.161 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.952 12.852 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.207 13.405 -1.227 1.00 0.00 H new ATOM 0 HG SER A 28 -13.593 12.434 -0.539 1.00 0.00 H new ATOM 450 N GLN A 29 -16.965 10.012 -2.937 1.00 0.00 N ATOM 451 CA GLN A 29 -17.991 9.626 -3.942 1.00 0.00 C ATOM 452 C GLN A 29 -18.756 8.409 -3.428 1.00 0.00 C ATOM 453 O GLN A 29 -19.961 8.309 -3.550 1.00 0.00 O ATOM 454 CB GLN A 29 -17.281 9.213 -5.236 1.00 0.00 C ATOM 455 CG GLN A 29 -18.323 9.026 -6.344 1.00 0.00 C ATOM 456 CD GLN A 29 -17.643 8.498 -7.609 1.00 0.00 C ATOM 457 OE1 GLN A 29 -17.799 7.345 -7.961 1.00 0.00 O ATOM 458 NE2 GLN A 29 -16.893 9.299 -8.314 1.00 0.00 N ATOM 0 H GLN A 29 -16.165 9.380 -2.903 1.00 0.00 H new ATOM 0 HA GLN A 29 -18.667 10.463 -4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.556 9.974 -5.526 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.727 8.287 -5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -19.095 8.329 -6.017 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -18.818 9.974 -6.554 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.762 10.267 -8.019 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.438 8.958 -9.161 1.00 0.00 H new ATOM 467 N ALA A 30 -18.034 7.474 -2.845 1.00 0.00 N ATOM 468 CA ALA A 30 -18.674 6.230 -2.301 1.00 0.00 C ATOM 469 C ALA A 30 -18.793 6.325 -0.786 1.00 0.00 C ATOM 470 O ALA A 30 -19.033 7.374 -0.222 1.00 0.00 O ATOM 471 CB ALA A 30 -17.801 5.017 -2.652 1.00 0.00 C ATOM 0 H ALA A 30 -17.022 7.522 -2.723 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.666 6.121 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -18.262 4.111 -2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.709 4.936 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.812 5.141 -2.212 1.00 0.00 H new ATOM 477 N ALA A 31 -18.592 5.222 -0.134 1.00 0.00 N ATOM 478 CA ALA A 31 -18.645 5.183 1.354 1.00 0.00 C ATOM 479 C ALA A 31 -17.190 5.231 1.846 1.00 0.00 C ATOM 480 O ALA A 31 -16.290 5.175 1.032 1.00 0.00 O ATOM 481 CB ALA A 31 -19.340 3.870 1.774 1.00 0.00 C ATOM 0 H ALA A 31 -18.389 4.325 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.204 6.016 1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.391 3.817 2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.349 3.844 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.771 3.020 1.396 1.00 0.00 H new ATOM 487 N PRO A 32 -16.976 5.327 3.139 1.00 0.00 N ATOM 488 CA PRO A 32 -15.602 5.364 3.671 1.00 0.00 C ATOM 489 C PRO A 32 -14.924 4.012 3.387 1.00 0.00 C ATOM 490 O PRO A 32 -14.273 3.435 4.236 1.00 0.00 O ATOM 491 CB PRO A 32 -15.773 5.619 5.189 1.00 0.00 C ATOM 492 CG PRO A 32 -17.295 5.535 5.504 1.00 0.00 C ATOM 493 CD PRO A 32 -18.045 5.416 4.158 1.00 0.00 C ATOM 0 HA PRO A 32 -14.976 6.133 3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.219 4.879 5.768 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.378 6.598 5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -17.508 4.674 6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -17.623 6.421 6.048 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -18.685 4.534 4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -18.687 6.280 3.984 1.00 0.00 H new ATOM 501 N GLY A 33 -15.085 3.497 2.195 1.00 0.00 N ATOM 502 CA GLY A 33 -14.467 2.187 1.863 1.00 0.00 C ATOM 503 C GLY A 33 -15.024 1.663 0.536 1.00 0.00 C ATOM 504 O GLY A 33 -15.052 2.357 -0.461 1.00 0.00 O ATOM 0 H GLY A 33 -15.618 3.930 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.384 2.294 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.667 1.470 2.659 1.00 0.00 H new ATOM 508 N SER A 34 -15.484 0.443 0.531 1.00 0.00 N ATOM 509 CA SER A 34 -16.066 -0.159 -0.699 1.00 0.00 C ATOM 510 C SER A 34 -14.980 -0.260 -1.793 1.00 0.00 C ATOM 511 O SER A 34 -13.901 0.270 -1.614 1.00 0.00 O ATOM 512 CB SER A 34 -17.235 0.724 -1.157 1.00 0.00 C ATOM 513 OG SER A 34 -16.928 1.332 -2.405 1.00 0.00 O ATOM 0 H SER A 34 -15.480 -0.173 1.344 1.00 0.00 H new ATOM 0 HA SER A 34 -16.432 -1.166 -0.501 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.140 0.124 -1.249 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.436 1.491 -0.409 1.00 0.00 H new ATOM 0 HG SER A 34 -17.447 2.158 -2.503 1.00 0.00 H new ATOM 519 N PRO A 35 -15.276 -0.921 -2.898 1.00 0.00 N ATOM 520 CA PRO A 35 -14.295 -1.055 -3.998 1.00 0.00 C ATOM 521 C PRO A 35 -13.960 0.335 -4.565 1.00 0.00 C ATOM 522 O PRO A 35 -12.836 0.626 -4.896 1.00 0.00 O ATOM 523 CB PRO A 35 -14.997 -1.938 -5.057 1.00 0.00 C ATOM 524 CG PRO A 35 -16.410 -2.295 -4.506 1.00 0.00 C ATOM 525 CD PRO A 35 -16.578 -1.580 -3.145 1.00 0.00 C ATOM 0 HA PRO A 35 -13.354 -1.499 -3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -15.078 -1.408 -6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.419 -2.843 -5.246 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -17.184 -1.976 -5.204 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.513 -3.374 -4.387 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.389 -0.853 -3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.818 -2.289 -2.353 1.00 0.00 H new ATOM 533 N GLN A 36 -14.948 1.170 -4.705 1.00 0.00 N ATOM 534 CA GLN A 36 -14.730 2.538 -5.267 1.00 0.00 C ATOM 535 C GLN A 36 -13.429 3.159 -4.726 1.00 0.00 C ATOM 536 O GLN A 36 -12.698 3.816 -5.443 1.00 0.00 O ATOM 537 CB GLN A 36 -15.911 3.411 -4.854 1.00 0.00 C ATOM 538 CG GLN A 36 -17.135 3.058 -5.707 1.00 0.00 C ATOM 539 CD GLN A 36 -17.545 1.607 -5.443 1.00 0.00 C ATOM 540 OE1 GLN A 36 -16.951 0.689 -5.972 1.00 0.00 O ATOM 541 NE2 GLN A 36 -18.546 1.360 -4.643 1.00 0.00 N ATOM 0 H GLN A 36 -15.914 0.963 -4.451 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.648 2.472 -6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.136 3.261 -3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.659 4.464 -4.980 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -17.961 3.729 -5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -16.906 3.195 -6.764 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -19.045 2.130 -4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -18.829 0.397 -4.462 1.00 0.00 H new ATOM 550 N PHE A 37 -13.128 2.941 -3.478 1.00 0.00 N ATOM 551 CA PHE A 37 -11.872 3.495 -2.885 1.00 0.00 C ATOM 552 C PHE A 37 -10.695 2.625 -3.324 1.00 0.00 C ATOM 553 O PHE A 37 -9.555 3.040 -3.271 1.00 0.00 O ATOM 554 CB PHE A 37 -12.015 3.542 -1.364 1.00 0.00 C ATOM 555 CG PHE A 37 -10.685 3.817 -0.691 1.00 0.00 C ATOM 556 CD1 PHE A 37 -9.937 4.951 -1.037 1.00 0.00 C ATOM 557 CD2 PHE A 37 -10.209 2.945 0.300 1.00 0.00 C ATOM 558 CE1 PHE A 37 -8.718 5.207 -0.398 1.00 0.00 C ATOM 559 CE2 PHE A 37 -8.992 3.205 0.938 1.00 0.00 C ATOM 560 CZ PHE A 37 -8.246 4.335 0.589 1.00 0.00 C ATOM 0 H PHE A 37 -13.702 2.397 -2.834 1.00 0.00 H new ATOM 0 HA PHE A 37 -11.689 4.512 -3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.731 4.316 -1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -12.417 2.594 -1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.301 5.627 -1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.784 2.071 0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.141 6.079 -0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.628 2.533 1.701 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.306 4.535 1.081 1.00 0.00 H new ATOM 570 N MET A 38 -10.958 1.462 -3.829 1.00 0.00 N ATOM 571 CA MET A 38 -9.850 0.619 -4.356 1.00 0.00 C ATOM 572 C MET A 38 -9.628 0.983 -5.827 1.00 0.00 C ATOM 573 O MET A 38 -8.550 0.817 -6.354 1.00 0.00 O ATOM 574 CB MET A 38 -10.177 -0.870 -4.273 1.00 0.00 C ATOM 575 CG MET A 38 -9.056 -1.673 -4.980 1.00 0.00 C ATOM 576 SD MET A 38 -9.604 -2.157 -6.641 1.00 0.00 S ATOM 577 CE MET A 38 -7.971 -2.361 -7.398 1.00 0.00 C ATOM 0 H MET A 38 -11.890 1.054 -3.902 1.00 0.00 H new ATOM 0 HA MET A 38 -8.961 0.806 -3.753 1.00 0.00 H new ATOM 0 HB2 MET A 38 -10.262 -1.179 -3.231 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.139 -1.071 -4.745 1.00 0.00 H new ATOM 0 HG2 MET A 38 -8.150 -1.070 -5.047 1.00 0.00 H new ATOM 0 HG3 MET A 38 -8.807 -2.559 -4.396 1.00 0.00 H new ATOM 0 HE1 MET A 38 -8.078 -2.433 -8.480 1.00 0.00 H new ATOM 0 HE2 MET A 38 -7.346 -1.503 -7.152 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.505 -3.270 -7.018 1.00 0.00 H new ATOM 587 N GLN A 39 -10.626 1.488 -6.489 1.00 0.00 N ATOM 588 CA GLN A 39 -10.449 1.865 -7.923 1.00 0.00 C ATOM 589 C GLN A 39 -9.513 3.076 -8.012 1.00 0.00 C ATOM 590 O GLN A 39 -8.666 3.177 -8.881 1.00 0.00 O ATOM 591 CB GLN A 39 -11.816 2.229 -8.517 1.00 0.00 C ATOM 592 CG GLN A 39 -12.605 0.950 -8.815 1.00 0.00 C ATOM 593 CD GLN A 39 -11.995 0.242 -10.027 1.00 0.00 C ATOM 594 OE1 GLN A 39 -12.093 0.723 -11.138 1.00 0.00 O ATOM 595 NE2 GLN A 39 -11.365 -0.888 -9.858 1.00 0.00 N ATOM 0 H GLN A 39 -11.556 1.657 -6.105 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.019 1.031 -8.478 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.371 2.856 -7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.684 2.808 -9.431 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.587 0.289 -7.948 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.650 1.192 -9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.283 -1.292 -8.925 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.955 -1.368 -10.659 1.00 0.00 H new ATOM 604 N THR A 40 -9.664 3.992 -7.103 1.00 0.00 N ATOM 605 CA THR A 40 -8.803 5.210 -7.092 1.00 0.00 C ATOM 606 C THR A 40 -7.449 4.883 -6.488 1.00 0.00 C ATOM 607 O THR A 40 -6.440 5.429 -6.889 1.00 0.00 O ATOM 608 CB THR A 40 -9.506 6.271 -6.278 1.00 0.00 C ATOM 609 OG1 THR A 40 -8.821 7.509 -6.390 1.00 0.00 O ATOM 610 CG2 THR A 40 -9.575 5.832 -4.814 1.00 0.00 C ATOM 0 H THR A 40 -10.356 3.951 -6.355 1.00 0.00 H new ATOM 0 HA THR A 40 -8.638 5.570 -8.107 1.00 0.00 H new ATOM 0 HB THR A 40 -10.519 6.402 -6.659 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.935 7.865 -7.296 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.082 6.598 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.127 4.895 -4.741 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.565 5.690 -4.429 1.00 0.00 H new ATOM 618 N ILE A 41 -7.387 3.967 -5.591 1.00 0.00 N ATOM 619 CA ILE A 41 -6.046 3.588 -5.053 1.00 0.00 C ATOM 620 C ILE A 41 -5.378 2.726 -6.117 1.00 0.00 C ATOM 621 O ILE A 41 -4.180 2.520 -6.114 1.00 0.00 O ATOM 622 CB ILE A 41 -6.191 2.813 -3.743 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.589 3.788 -2.626 1.00 0.00 C ATOM 624 CG2 ILE A 41 -4.884 2.090 -3.388 1.00 0.00 C ATOM 625 CD1 ILE A 41 -5.492 4.844 -2.381 1.00 0.00 C ATOM 0 H ILE A 41 -8.183 3.462 -5.202 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.447 4.473 -4.835 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.966 2.056 -3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.522 4.286 -2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.774 3.233 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.012 1.546 -2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.628 1.390 -4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.083 2.821 -3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.807 5.518 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.566 4.347 -2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.326 5.415 -3.294 1.00 0.00 H new ATOM 637 N ARG A 42 -6.151 2.252 -7.050 1.00 0.00 N ATOM 638 CA ARG A 42 -5.577 1.438 -8.146 1.00 0.00 C ATOM 639 C ARG A 42 -4.703 2.346 -9.000 1.00 0.00 C ATOM 640 O ARG A 42 -3.597 2.001 -9.365 1.00 0.00 O ATOM 641 CB ARG A 42 -6.707 0.877 -9.013 1.00 0.00 C ATOM 642 CG ARG A 42 -6.179 -0.269 -9.878 1.00 0.00 C ATOM 643 CD ARG A 42 -7.194 -0.589 -10.977 1.00 0.00 C ATOM 644 NE ARG A 42 -7.400 0.613 -11.833 1.00 0.00 N ATOM 645 CZ ARG A 42 -7.985 0.493 -12.994 1.00 0.00 C ATOM 646 NH1 ARG A 42 -8.385 -0.679 -13.403 1.00 0.00 N ATOM 647 NH2 ARG A 42 -8.170 1.544 -13.745 1.00 0.00 N ATOM 0 H ARG A 42 -7.160 2.395 -7.098 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.994 0.613 -7.736 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.521 0.522 -8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.116 1.664 -9.647 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.222 0.007 -10.321 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.003 -1.151 -9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.839 -1.423 -11.583 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.140 -0.898 -10.533 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.084 1.528 -11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.241 -1.501 -12.816 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.842 -0.774 -14.310 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.857 2.461 -13.425 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.627 1.449 -14.652 1.00 0.00 H new ATOM 661 N LEU A 43 -5.204 3.509 -9.334 1.00 0.00 N ATOM 662 CA LEU A 43 -4.414 4.450 -10.184 1.00 0.00 C ATOM 663 C LEU A 43 -3.529 5.339 -9.311 1.00 0.00 C ATOM 664 O LEU A 43 -2.647 6.008 -9.800 1.00 0.00 O ATOM 665 CB LEU A 43 -5.371 5.338 -10.987 1.00 0.00 C ATOM 666 CG LEU A 43 -6.358 4.470 -11.778 1.00 0.00 C ATOM 667 CD1 LEU A 43 -7.457 5.361 -12.361 1.00 0.00 C ATOM 668 CD2 LEU A 43 -5.629 3.745 -12.919 1.00 0.00 C ATOM 0 H LEU A 43 -6.125 3.847 -9.055 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.786 3.869 -10.859 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.916 6.000 -10.314 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.805 5.972 -11.669 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.797 3.728 -11.111 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.161 4.749 -12.924 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.983 5.867 -11.551 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.011 6.103 -13.023 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.340 3.132 -13.473 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.182 4.479 -13.590 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.847 3.109 -12.505 1.00 0.00 H new ATOM 680 N ALA A 44 -3.729 5.345 -8.021 1.00 0.00 N ATOM 681 CA ALA A 44 -2.853 6.197 -7.152 1.00 0.00 C ATOM 682 C ALA A 44 -1.588 5.414 -6.791 1.00 0.00 C ATOM 683 O ALA A 44 -0.489 5.917 -6.928 1.00 0.00 O ATOM 684 CB ALA A 44 -3.604 6.622 -5.887 1.00 0.00 C ATOM 0 H ALA A 44 -4.447 4.809 -7.533 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.573 7.100 -7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.953 7.240 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.490 7.193 -6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.904 5.736 -5.327 1.00 0.00 H new ATOM 690 N VAL A 45 -1.709 4.198 -6.357 1.00 0.00 N ATOM 691 CA VAL A 45 -0.489 3.421 -6.024 1.00 0.00 C ATOM 692 C VAL A 45 0.173 2.963 -7.328 1.00 0.00 C ATOM 693 O VAL A 45 1.359 2.729 -7.382 1.00 0.00 O ATOM 694 CB VAL A 45 -0.875 2.207 -5.169 1.00 0.00 C ATOM 695 CG1 VAL A 45 0.307 1.238 -5.069 1.00 0.00 C ATOM 696 CG2 VAL A 45 -1.262 2.681 -3.764 1.00 0.00 C ATOM 0 H VAL A 45 -2.593 3.709 -6.218 1.00 0.00 H new ATOM 0 HA VAL A 45 0.210 4.038 -5.460 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.718 1.695 -5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.023 0.380 -4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.585 0.899 -6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.155 1.745 -4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.537 1.821 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.416 3.195 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.109 3.364 -3.831 1.00 0.00 H new ATOM 706 N GLN A 46 -0.578 2.844 -8.388 1.00 0.00 N ATOM 707 CA GLN A 46 0.030 2.403 -9.676 1.00 0.00 C ATOM 708 C GLN A 46 0.660 3.596 -10.397 1.00 0.00 C ATOM 709 O GLN A 46 1.462 3.428 -11.294 1.00 0.00 O ATOM 710 CB GLN A 46 -1.056 1.802 -10.570 1.00 0.00 C ATOM 711 CG GLN A 46 -0.433 1.340 -11.889 1.00 0.00 C ATOM 712 CD GLN A 46 -1.438 0.479 -12.656 1.00 0.00 C ATOM 713 OE1 GLN A 46 -1.071 -0.507 -13.265 1.00 0.00 O ATOM 714 NE2 GLN A 46 -2.700 0.812 -12.654 1.00 0.00 N ATOM 0 H GLN A 46 -1.580 3.032 -8.419 1.00 0.00 H new ATOM 0 HA GLN A 46 0.799 1.659 -9.467 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.532 0.961 -10.066 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.834 2.541 -10.762 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.145 2.203 -12.489 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.476 0.770 -11.694 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.008 1.639 -12.143 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.378 0.245 -13.163 1.00 0.00 H new ATOM 723 N GLN A 47 0.290 4.801 -10.043 1.00 0.00 N ATOM 724 CA GLN A 47 0.862 5.987 -10.752 1.00 0.00 C ATOM 725 C GLN A 47 2.158 6.455 -10.092 1.00 0.00 C ATOM 726 O GLN A 47 3.224 6.390 -10.672 1.00 0.00 O ATOM 727 CB GLN A 47 -0.162 7.135 -10.723 1.00 0.00 C ATOM 728 CG GLN A 47 -1.235 6.906 -11.801 1.00 0.00 C ATOM 729 CD GLN A 47 -0.692 7.329 -13.169 1.00 0.00 C ATOM 730 OE1 GLN A 47 0.575 7.619 -13.293 1.00 0.00 O flip ATOM 731 NE2 GLN A 47 -1.427 7.395 -14.134 1.00 0.00 N flip ATOM 0 H GLN A 47 -0.377 5.014 -9.301 1.00 0.00 H new ATOM 0 HA GLN A 47 1.084 5.699 -11.780 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.629 7.193 -9.740 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.341 8.087 -10.894 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.524 5.855 -11.823 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.132 7.478 -11.562 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.417 7.169 -14.038 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.054 7.677 -15.041 1.00 0.00 H new ATOM 740 N PHE A 48 2.067 6.959 -8.892 1.00 0.00 N ATOM 741 CA PHE A 48 3.283 7.469 -8.199 1.00 0.00 C ATOM 742 C PHE A 48 3.975 6.346 -7.428 1.00 0.00 C ATOM 743 O PHE A 48 5.015 6.564 -6.840 1.00 0.00 O ATOM 744 CB PHE A 48 2.879 8.572 -7.218 1.00 0.00 C ATOM 745 CG PHE A 48 2.112 9.649 -7.951 1.00 0.00 C ATOM 746 CD1 PHE A 48 2.797 10.593 -8.725 1.00 0.00 C ATOM 747 CD2 PHE A 48 0.715 9.705 -7.854 1.00 0.00 C ATOM 748 CE1 PHE A 48 2.087 11.593 -9.402 1.00 0.00 C ATOM 749 CE2 PHE A 48 0.006 10.705 -8.531 1.00 0.00 C ATOM 750 CZ PHE A 48 0.692 11.648 -9.305 1.00 0.00 C ATOM 0 H PHE A 48 1.200 7.040 -8.360 1.00 0.00 H new ATOM 0 HA PHE A 48 3.972 7.861 -8.947 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.266 8.155 -6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.766 8.998 -6.750 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.874 10.550 -8.800 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.185 8.977 -7.257 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.616 12.321 -9.999 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.071 10.749 -8.456 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.145 12.418 -9.828 1.00 0.00 H new ATOM 760 N ASP A 49 3.421 5.149 -7.437 1.00 0.00 N ATOM 761 CA ASP A 49 4.063 4.000 -6.700 1.00 0.00 C ATOM 762 C ASP A 49 4.835 4.491 -5.459 1.00 0.00 C ATOM 763 O ASP A 49 6.049 4.522 -5.477 1.00 0.00 O ATOM 764 CB ASP A 49 5.046 3.293 -7.633 1.00 0.00 C ATOM 765 CG ASP A 49 4.306 2.790 -8.874 1.00 0.00 C ATOM 766 OD1 ASP A 49 4.032 3.599 -9.745 1.00 0.00 O ATOM 767 OD2 ASP A 49 4.026 1.604 -8.932 1.00 0.00 O ATOM 0 H ASP A 49 2.554 4.918 -7.922 1.00 0.00 H new ATOM 0 HA ASP A 49 3.274 3.321 -6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.842 3.978 -7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.518 2.458 -7.115 1.00 0.00 H new ATOM 772 N PRO A 50 4.124 4.877 -4.424 1.00 0.00 N ATOM 773 CA PRO A 50 4.770 5.383 -3.197 1.00 0.00 C ATOM 774 C PRO A 50 5.706 4.311 -2.608 1.00 0.00 C ATOM 775 O PRO A 50 5.499 3.127 -2.785 1.00 0.00 O ATOM 776 CB PRO A 50 3.598 5.724 -2.244 1.00 0.00 C ATOM 777 CG PRO A 50 2.272 5.462 -3.020 1.00 0.00 C ATOM 778 CD PRO A 50 2.646 4.843 -4.384 1.00 0.00 C ATOM 0 HA PRO A 50 5.396 6.257 -3.375 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.644 5.110 -1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.655 6.764 -1.923 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.626 4.788 -2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.720 6.391 -3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.272 3.823 -4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.215 5.412 -5.208 1.00 0.00 H new ATOM 786 N THR A 51 6.736 4.724 -1.911 1.00 0.00 N ATOM 787 CA THR A 51 7.686 3.738 -1.313 1.00 0.00 C ATOM 788 C THR A 51 7.008 3.022 -0.144 1.00 0.00 C ATOM 789 O THR A 51 5.853 3.258 0.149 1.00 0.00 O ATOM 790 CB THR A 51 8.926 4.480 -0.804 1.00 0.00 C ATOM 791 OG1 THR A 51 8.545 5.398 0.211 1.00 0.00 O ATOM 792 CG2 THR A 51 9.580 5.237 -1.961 1.00 0.00 C ATOM 0 H THR A 51 6.959 5.703 -1.731 1.00 0.00 H new ATOM 0 HA THR A 51 7.978 3.006 -2.066 1.00 0.00 H new ATOM 0 HB THR A 51 9.637 3.762 -0.395 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.338 5.872 0.538 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.462 5.765 -1.598 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.873 4.531 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.871 5.956 -2.373 1.00 0.00 H new ATOM 800 N ALA A 52 7.711 2.154 0.536 1.00 0.00 N ATOM 801 CA ALA A 52 7.088 1.444 1.688 1.00 0.00 C ATOM 802 C ALA A 52 6.904 2.441 2.835 1.00 0.00 C ATOM 803 O ALA A 52 6.048 2.295 3.686 1.00 0.00 O ATOM 804 CB ALA A 52 8.005 0.306 2.142 1.00 0.00 C ATOM 0 H ALA A 52 8.682 1.909 0.344 1.00 0.00 H new ATOM 0 HA ALA A 52 6.123 1.031 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.550 -0.214 2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.150 -0.394 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.969 0.714 2.445 1.00 0.00 H new ATOM 810 N LYS A 53 7.708 3.469 2.837 1.00 0.00 N ATOM 811 CA LYS A 53 7.618 4.512 3.899 1.00 0.00 C ATOM 812 C LYS A 53 6.519 5.517 3.526 1.00 0.00 C ATOM 813 O LYS A 53 5.776 5.992 4.368 1.00 0.00 O ATOM 814 CB LYS A 53 8.971 5.216 4.007 1.00 0.00 C ATOM 815 CG LYS A 53 10.091 4.175 3.934 1.00 0.00 C ATOM 816 CD LYS A 53 11.440 4.844 4.218 1.00 0.00 C ATOM 817 CE LYS A 53 12.482 3.773 4.549 1.00 0.00 C ATOM 818 NZ LYS A 53 13.832 4.398 4.616 1.00 0.00 N ATOM 0 H LYS A 53 8.433 3.633 2.139 1.00 0.00 H new ATOM 0 HA LYS A 53 7.369 4.061 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.081 5.942 3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.033 5.768 4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.909 3.380 4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.105 3.711 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.760 5.423 3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.344 5.542 5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.242 3.298 5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.469 2.991 3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.541 3.671 4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.060 4.831 3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.840 5.129 5.356 1.00 0.00 H new ATOM 832 N ASP A 54 6.368 5.786 2.258 1.00 0.00 N ATOM 833 CA ASP A 54 5.276 6.694 1.802 1.00 0.00 C ATOM 834 C ASP A 54 3.993 5.879 1.808 1.00 0.00 C ATOM 835 O ASP A 54 2.917 6.414 1.977 1.00 0.00 O ATOM 836 CB ASP A 54 5.554 7.223 0.384 1.00 0.00 C ATOM 837 CG ASP A 54 4.733 8.491 0.128 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.571 8.362 -0.222 1.00 0.00 O ATOM 839 OD2 ASP A 54 5.282 9.569 0.287 1.00 0.00 O ATOM 0 H ASP A 54 6.957 5.414 1.513 1.00 0.00 H new ATOM 0 HA ASP A 54 5.202 7.558 2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.616 7.438 0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.301 6.461 -0.353 1.00 0.00 H new ATOM 844 N LEU A 55 4.083 4.593 1.682 1.00 0.00 N ATOM 845 CA LEU A 55 2.829 3.801 1.749 1.00 0.00 C ATOM 846 C LEU A 55 2.249 4.034 3.147 1.00 0.00 C ATOM 847 O LEU A 55 1.059 4.208 3.319 1.00 0.00 O ATOM 848 CB LEU A 55 3.119 2.304 1.515 1.00 0.00 C ATOM 849 CG LEU A 55 2.863 1.934 0.037 1.00 0.00 C ATOM 850 CD1 LEU A 55 3.639 0.662 -0.321 1.00 0.00 C ATOM 851 CD2 LEU A 55 1.364 1.688 -0.192 1.00 0.00 C ATOM 0 H LEU A 55 4.943 4.064 1.539 1.00 0.00 H new ATOM 0 HA LEU A 55 2.124 4.108 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.153 2.081 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.486 1.698 2.164 1.00 0.00 H new ATOM 0 HG LEU A 55 3.196 2.758 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.455 0.405 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.705 0.832 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.309 -0.157 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.193 1.428 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.028 0.870 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.805 2.591 0.053 1.00 0.00 H new ATOM 863 N GLN A 56 3.092 4.059 4.147 1.00 0.00 N ATOM 864 CA GLN A 56 2.600 4.302 5.533 1.00 0.00 C ATOM 865 C GLN A 56 1.817 5.619 5.585 1.00 0.00 C ATOM 866 O GLN A 56 0.618 5.620 5.747 1.00 0.00 O ATOM 867 CB GLN A 56 3.789 4.386 6.492 1.00 0.00 C ATOM 868 CG GLN A 56 4.494 3.031 6.555 1.00 0.00 C ATOM 869 CD GLN A 56 3.600 2.021 7.277 1.00 0.00 C ATOM 870 OE1 GLN A 56 3.351 2.148 8.460 1.00 0.00 O ATOM 871 NE2 GLN A 56 3.104 1.014 6.610 1.00 0.00 N ATOM 0 H GLN A 56 4.099 3.922 4.062 1.00 0.00 H new ATOM 0 HA GLN A 56 1.947 3.480 5.827 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.486 5.154 6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.448 4.676 7.486 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.718 2.679 5.548 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.446 3.129 7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.313 0.907 5.617 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.508 0.334 7.082 1.00 0.00 H new ATOM 880 N ASP A 57 2.490 6.738 5.479 1.00 0.00 N ATOM 881 CA ASP A 57 1.780 8.061 5.555 1.00 0.00 C ATOM 882 C ASP A 57 0.445 8.021 4.798 1.00 0.00 C ATOM 883 O ASP A 57 -0.496 8.692 5.174 1.00 0.00 O ATOM 884 CB ASP A 57 2.666 9.168 4.981 1.00 0.00 C ATOM 885 CG ASP A 57 1.906 10.496 5.008 1.00 0.00 C ATOM 886 OD1 ASP A 57 0.961 10.631 4.249 1.00 0.00 O ATOM 887 OD2 ASP A 57 2.282 11.355 5.789 1.00 0.00 O ATOM 0 H ASP A 57 3.499 6.797 5.343 1.00 0.00 H new ATOM 0 HA ASP A 57 1.572 8.269 6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.585 9.251 5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.956 8.923 3.959 1.00 0.00 H new ATOM 892 N LEU A 58 0.324 7.236 3.765 1.00 0.00 N ATOM 893 CA LEU A 58 -0.987 7.167 3.045 1.00 0.00 C ATOM 894 C LEU A 58 -1.869 6.126 3.746 1.00 0.00 C ATOM 895 O LEU A 58 -3.077 6.266 3.790 1.00 0.00 O ATOM 896 CB LEU A 58 -0.768 6.791 1.569 1.00 0.00 C ATOM 897 CG LEU A 58 -0.561 8.057 0.732 1.00 0.00 C ATOM 898 CD1 LEU A 58 0.653 8.826 1.254 1.00 0.00 C ATOM 899 CD2 LEU A 58 -0.326 7.665 -0.729 1.00 0.00 C ATOM 0 H LEU A 58 1.064 6.644 3.388 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.478 8.140 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.100 6.138 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.627 6.234 1.195 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.446 8.689 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.798 9.726 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.488 9.104 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.540 8.197 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.178 8.564 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.560 7.033 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.192 7.118 -1.103 1.00 0.00 H new ATOM 911 N LEU A 59 -1.284 5.125 4.344 1.00 0.00 N ATOM 912 CA LEU A 59 -2.097 4.117 5.088 1.00 0.00 C ATOM 913 C LEU A 59 -2.252 4.613 6.534 1.00 0.00 C ATOM 914 O LEU A 59 -3.064 4.121 7.289 1.00 0.00 O ATOM 915 CB LEU A 59 -1.367 2.754 5.074 1.00 0.00 C ATOM 916 CG LEU A 59 -1.899 1.845 3.950 1.00 0.00 C ATOM 917 CD1 LEU A 59 -3.382 1.488 4.186 1.00 0.00 C ATOM 918 CD2 LEU A 59 -1.731 2.549 2.594 1.00 0.00 C ATOM 0 H LEU A 59 -0.277 4.960 4.351 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.076 3.993 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.297 2.914 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.497 2.260 6.037 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.325 0.918 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.734 0.846 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.483 0.965 5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.977 2.401 4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.108 1.904 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.290 3.485 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.675 2.758 2.421 1.00 0.00 H new ATOM 930 N GLN A 60 -1.450 5.561 6.931 1.00 0.00 N ATOM 931 CA GLN A 60 -1.513 6.076 8.329 1.00 0.00 C ATOM 932 C GLN A 60 -2.392 7.330 8.411 1.00 0.00 C ATOM 933 O GLN A 60 -2.963 7.631 9.441 1.00 0.00 O ATOM 934 CB GLN A 60 -0.092 6.451 8.764 1.00 0.00 C ATOM 935 CG GLN A 60 -0.041 6.590 10.288 1.00 0.00 C ATOM 936 CD GLN A 60 1.380 6.950 10.726 1.00 0.00 C ATOM 937 OE1 GLN A 60 2.007 6.210 11.458 1.00 0.00 O ATOM 938 NE2 GLN A 60 1.918 8.063 10.307 1.00 0.00 N ATOM 0 H GLN A 60 -0.746 6.006 6.341 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.938 5.306 8.973 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.613 5.688 8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.208 7.387 8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.739 7.360 10.616 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.351 5.657 10.758 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.392 8.684 9.693 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.865 8.312 10.594 1.00 0.00 H new ATOM 947 N TYR A 61 -2.479 8.079 7.335 1.00 0.00 N ATOM 948 CA TYR A 61 -3.290 9.341 7.339 1.00 0.00 C ATOM 949 C TYR A 61 -4.564 9.172 6.508 1.00 0.00 C ATOM 950 O TYR A 61 -5.656 9.406 6.986 1.00 0.00 O ATOM 951 CB TYR A 61 -2.451 10.473 6.743 1.00 0.00 C ATOM 952 CG TYR A 61 -3.197 11.779 6.877 1.00 0.00 C ATOM 953 CD1 TYR A 61 -4.088 12.183 5.874 1.00 0.00 C ATOM 954 CD2 TYR A 61 -2.997 12.588 8.002 1.00 0.00 C ATOM 955 CE1 TYR A 61 -4.778 13.395 5.997 1.00 0.00 C ATOM 956 CE2 TYR A 61 -3.687 13.800 8.125 1.00 0.00 C ATOM 957 CZ TYR A 61 -4.578 14.204 7.123 1.00 0.00 C ATOM 958 OH TYR A 61 -5.257 15.399 7.244 1.00 0.00 O ATOM 0 H TYR A 61 -2.020 7.869 6.449 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.572 9.574 8.366 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.491 10.536 7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.240 10.269 5.693 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.243 11.559 5.006 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.310 12.277 8.775 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.465 13.706 5.224 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.532 14.424 8.993 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.004 15.836 8.084 1.00 0.00 H new ATOM 968 N LEU A 62 -4.444 8.779 5.267 1.00 0.00 N ATOM 969 CA LEU A 62 -5.669 8.618 4.431 1.00 0.00 C ATOM 970 C LEU A 62 -6.537 7.520 5.047 1.00 0.00 C ATOM 971 O LEU A 62 -7.749 7.570 4.963 1.00 0.00 O ATOM 972 CB LEU A 62 -5.276 8.283 2.974 1.00 0.00 C ATOM 973 CG LEU A 62 -6.156 9.063 1.983 1.00 0.00 C ATOM 974 CD1 LEU A 62 -5.641 10.502 1.849 1.00 0.00 C ATOM 975 CD2 LEU A 62 -6.108 8.385 0.609 1.00 0.00 C ATOM 0 H LEU A 62 -3.562 8.565 4.801 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.239 9.547 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.227 8.529 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.384 7.212 2.800 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.181 9.076 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.269 11.049 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.674 10.992 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.614 10.488 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.732 8.939 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.080 8.370 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.477 7.363 0.694 1.00 0.00 H new ATOM 987 N CYS A 63 -5.943 6.562 5.699 1.00 0.00 N ATOM 988 CA CYS A 63 -6.745 5.491 6.365 1.00 0.00 C ATOM 989 C CYS A 63 -6.677 5.738 7.873 1.00 0.00 C ATOM 990 O CYS A 63 -6.791 6.861 8.324 1.00 0.00 O ATOM 991 CB CYS A 63 -6.152 4.128 6.018 1.00 0.00 C ATOM 992 SG CYS A 63 -5.736 4.101 4.257 1.00 0.00 S ATOM 0 H CYS A 63 -4.932 6.471 5.802 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.782 5.507 6.030 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.262 3.940 6.619 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.865 3.337 6.249 1.00 0.00 H new ATOM 0 HG CYS A 63 -4.826 4.997 4.012 1.00 0.00 H new ATOM 998 N SER A 64 -6.469 4.723 8.662 1.00 0.00 N ATOM 999 CA SER A 64 -6.371 4.951 10.132 1.00 0.00 C ATOM 1000 C SER A 64 -5.700 3.750 10.800 1.00 0.00 C ATOM 1001 O SER A 64 -5.422 2.750 10.168 1.00 0.00 O ATOM 1002 CB SER A 64 -7.763 5.164 10.723 1.00 0.00 C ATOM 1003 OG SER A 64 -8.521 3.970 10.581 1.00 0.00 O ATOM 0 H SER A 64 -6.363 3.755 8.359 1.00 0.00 H new ATOM 0 HA SER A 64 -5.770 5.842 10.313 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.686 5.437 11.776 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.264 5.989 10.216 1.00 0.00 H new ATOM 0 HG SER A 64 -9.415 4.103 10.961 1.00 0.00 H new ATOM 1009 N SER A 65 -5.422 3.859 12.072 1.00 0.00 N ATOM 1010 CA SER A 65 -4.749 2.746 12.806 1.00 0.00 C ATOM 1011 C SER A 65 -5.327 1.393 12.385 1.00 0.00 C ATOM 1012 O SER A 65 -4.648 0.584 11.781 1.00 0.00 O ATOM 1013 CB SER A 65 -4.949 2.936 14.310 1.00 0.00 C ATOM 1014 OG SER A 65 -6.337 2.878 14.611 1.00 0.00 O ATOM 0 H SER A 65 -5.634 4.679 12.640 1.00 0.00 H new ATOM 0 HA SER A 65 -3.686 2.762 12.565 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.413 2.162 14.860 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.537 3.895 14.625 1.00 0.00 H new ATOM 0 HG SER A 65 -6.468 2.998 15.575 1.00 0.00 H new ATOM 1020 N LEU A 66 -6.564 1.123 12.706 1.00 0.00 N ATOM 1021 CA LEU A 66 -7.166 -0.188 12.337 1.00 0.00 C ATOM 1022 C LEU A 66 -6.843 -0.546 10.886 1.00 0.00 C ATOM 1023 O LEU A 66 -6.058 -1.426 10.631 1.00 0.00 O ATOM 1024 CB LEU A 66 -8.687 -0.094 12.516 1.00 0.00 C ATOM 1025 CG LEU A 66 -9.354 -1.446 12.222 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -8.884 -2.505 13.235 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -10.875 -1.276 12.321 1.00 0.00 C ATOM 0 H LEU A 66 -7.184 1.757 13.210 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.753 -0.966 12.979 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.920 0.218 13.534 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.090 0.668 11.849 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.078 -1.778 11.221 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.365 -3.458 13.015 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.802 -2.620 13.166 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.152 -2.188 14.243 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.362 -2.229 12.114 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.139 -0.944 13.325 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.206 -0.534 11.594 1.00 0.00 H new ATOM 1039 N VAL A 67 -7.506 0.080 9.946 1.00 0.00 N ATOM 1040 CA VAL A 67 -7.312 -0.258 8.493 1.00 0.00 C ATOM 1041 C VAL A 67 -5.884 -0.760 8.211 1.00 0.00 C ATOM 1042 O VAL A 67 -5.686 -1.843 7.695 1.00 0.00 O ATOM 1043 CB VAL A 67 -7.583 0.978 7.643 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.599 0.589 6.164 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -8.938 1.576 8.028 1.00 0.00 C ATOM 0 H VAL A 67 -8.184 0.822 10.122 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.010 -1.056 8.240 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.798 1.715 7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.793 1.473 5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.633 0.165 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.382 -0.149 5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.132 2.460 7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.723 0.839 7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.926 1.856 9.081 1.00 0.00 H new ATOM 1055 N ALA A 68 -4.887 0.020 8.555 1.00 0.00 N ATOM 1056 CA ALA A 68 -3.475 -0.415 8.318 1.00 0.00 C ATOM 1057 C ALA A 68 -3.303 -1.845 8.841 1.00 0.00 C ATOM 1058 O ALA A 68 -2.648 -2.670 8.230 1.00 0.00 O ATOM 1059 CB ALA A 68 -2.515 0.526 9.048 1.00 0.00 C ATOM 0 H ALA A 68 -4.990 0.937 8.989 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.252 -0.385 7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.488 0.206 8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.647 1.542 8.675 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.725 0.502 10.117 1.00 0.00 H new ATOM 1065 N SER A 69 -3.949 -2.156 9.932 1.00 0.00 N ATOM 1066 CA SER A 69 -3.906 -3.537 10.480 1.00 0.00 C ATOM 1067 C SER A 69 -4.498 -4.479 9.433 1.00 0.00 C ATOM 1068 O SER A 69 -3.807 -5.226 8.768 1.00 0.00 O ATOM 1069 CB SER A 69 -4.787 -3.580 11.744 1.00 0.00 C ATOM 1070 OG SER A 69 -4.491 -2.452 12.557 1.00 0.00 O ATOM 0 H SER A 69 -4.512 -1.500 10.473 1.00 0.00 H new ATOM 0 HA SER A 69 -2.885 -3.831 10.722 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.841 -3.578 11.468 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.605 -4.501 12.298 1.00 0.00 H new ATOM 0 HG SER A 69 -4.956 -1.664 12.205 1.00 0.00 H new ATOM 1076 N LEU A 70 -5.798 -4.434 9.306 1.00 0.00 N ATOM 1077 CA LEU A 70 -6.555 -5.278 8.349 1.00 0.00 C ATOM 1078 C LEU A 70 -5.847 -5.498 7.007 1.00 0.00 C ATOM 1079 O LEU A 70 -5.435 -6.593 6.672 1.00 0.00 O ATOM 1080 CB LEU A 70 -7.876 -4.541 8.053 1.00 0.00 C ATOM 1081 CG LEU A 70 -8.578 -4.121 9.358 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -9.975 -3.590 9.024 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -8.708 -5.321 10.307 1.00 0.00 C ATOM 0 H LEU A 70 -6.389 -3.813 9.858 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.680 -6.259 8.808 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.676 -3.660 7.443 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.535 -5.187 7.473 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.986 -3.347 9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.479 -3.290 9.943 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.888 -2.730 8.360 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.553 -4.372 8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.206 -5.007 11.224 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.294 -6.104 9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.716 -5.705 10.546 1.00 0.00 H new ATOM 1095 N HIS A 71 -5.838 -4.488 6.178 1.00 0.00 N ATOM 1096 CA HIS A 71 -5.314 -4.672 4.804 1.00 0.00 C ATOM 1097 C HIS A 71 -3.945 -5.357 4.813 1.00 0.00 C ATOM 1098 O HIS A 71 -3.717 -6.323 4.101 1.00 0.00 O ATOM 1099 CB HIS A 71 -5.246 -3.311 4.089 1.00 0.00 C ATOM 1100 CG HIS A 71 -4.402 -3.403 2.844 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -3.063 -3.761 2.880 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -4.693 -3.177 1.525 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -2.604 -3.741 1.616 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -3.557 -3.392 0.749 1.00 0.00 N ATOM 0 H HIS A 71 -6.171 -3.549 6.397 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.995 -5.325 4.259 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.252 -2.981 3.829 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.829 -2.562 4.762 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.658 -2.877 1.144 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.588 -3.978 1.337 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -3.472 -3.302 -0.263 1.00 0.00 H new ATOM 1112 N HIS A 72 -3.003 -4.849 5.579 1.00 0.00 N ATOM 1113 CA HIS A 72 -1.658 -5.487 5.550 1.00 0.00 C ATOM 1114 C HIS A 72 -1.772 -6.862 6.197 1.00 0.00 C ATOM 1115 O HIS A 72 -0.916 -7.707 6.033 1.00 0.00 O ATOM 1116 CB HIS A 72 -0.614 -4.605 6.241 1.00 0.00 C ATOM 1117 CG HIS A 72 0.701 -5.331 6.331 1.00 0.00 C ATOM 1118 ND1 HIS A 72 0.863 -6.476 7.095 1.00 0.00 N ATOM 1119 CD2 HIS A 72 1.928 -5.078 5.770 1.00 0.00 C ATOM 1120 CE1 HIS A 72 2.145 -6.866 6.973 1.00 0.00 C ATOM 1121 NE2 HIS A 72 2.838 -6.049 6.176 1.00 0.00 N ATOM 0 H HIS A 72 -3.107 -4.047 6.201 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.317 -5.604 4.521 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.487 -3.676 5.686 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.958 -4.336 7.240 1.00 0.00 H new ATOM 0 HD1 HIS A 72 0.142 -6.939 7.649 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.153 -4.251 5.113 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.563 -7.734 7.461 1.00 0.00 H new ATOM 1129 N GLN A 73 -2.865 -7.123 6.873 1.00 0.00 N ATOM 1130 CA GLN A 73 -3.054 -8.479 7.451 1.00 0.00 C ATOM 1131 C GLN A 73 -2.937 -9.442 6.272 1.00 0.00 C ATOM 1132 O GLN A 73 -2.059 -10.279 6.228 1.00 0.00 O ATOM 1133 CB GLN A 73 -4.439 -8.597 8.111 1.00 0.00 C ATOM 1134 CG GLN A 73 -4.431 -9.736 9.136 1.00 0.00 C ATOM 1135 CD GLN A 73 -4.151 -11.062 8.427 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -3.091 -11.635 8.584 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -5.063 -11.577 7.650 1.00 0.00 N ATOM 0 H GLN A 73 -3.622 -6.462 7.045 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.318 -8.696 8.225 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.700 -7.658 8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.199 -8.784 7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.671 -9.550 9.895 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.391 -9.783 9.650 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.952 -11.095 7.519 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.887 -12.461 7.174 1.00 0.00 H new ATOM 1146 N GLN A 74 -3.817 -9.316 5.300 1.00 0.00 N ATOM 1147 CA GLN A 74 -3.735 -10.213 4.104 1.00 0.00 C ATOM 1148 C GLN A 74 -2.262 -10.247 3.676 1.00 0.00 C ATOM 1149 O GLN A 74 -1.572 -11.231 3.862 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.606 -9.643 2.975 1.00 0.00 C ATOM 1151 CG GLN A 74 -5.025 -10.775 2.028 1.00 0.00 C ATOM 1152 CD GLN A 74 -5.864 -10.203 0.885 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -5.407 -10.259 -0.335 1.00 0.00 O flip ATOM 1154 NE2 GLN A 74 -6.948 -9.702 1.106 1.00 0.00 N flip ATOM 0 H GLN A 74 -4.579 -8.638 5.286 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.093 -11.217 4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.489 -9.158 3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.054 -8.881 2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.142 -11.275 1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.598 -11.525 2.573 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.305 -9.659 2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.502 -9.325 0.337 1.00 0.00 H new ATOM 1163 N LEU A 75 -1.771 -9.120 3.169 1.00 0.00 N ATOM 1164 CA LEU A 75 -0.324 -8.974 2.794 1.00 0.00 C ATOM 1165 C LEU A 75 0.542 -9.792 3.751 1.00 0.00 C ATOM 1166 O LEU A 75 1.260 -10.673 3.325 1.00 0.00 O ATOM 1167 CB LEU A 75 0.035 -7.477 2.917 1.00 0.00 C ATOM 1168 CG LEU A 75 1.186 -7.117 1.966 1.00 0.00 C ATOM 1169 CD1 LEU A 75 1.532 -5.636 2.125 1.00 0.00 C ATOM 1170 CD2 LEU A 75 2.411 -7.965 2.305 1.00 0.00 C ATOM 0 H LEU A 75 -2.332 -8.285 3.000 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.150 -9.332 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.839 -6.868 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.320 -7.249 3.944 1.00 0.00 H new ATOM 0 HG LEU A 75 0.883 -7.312 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.349 -5.379 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.658 -5.030 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.836 -5.442 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.228 -7.710 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.715 -7.770 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.165 -9.021 2.194 1.00 0.00 H new ATOM 1182 N ASP A 76 0.461 -9.512 5.033 1.00 0.00 N ATOM 1183 CA ASP A 76 1.250 -10.276 6.058 1.00 0.00 C ATOM 1184 C ASP A 76 1.536 -11.697 5.556 1.00 0.00 C ATOM 1185 O ASP A 76 2.646 -12.054 5.188 1.00 0.00 O ATOM 1186 CB ASP A 76 0.384 -10.359 7.343 1.00 0.00 C ATOM 1187 CG ASP A 76 1.284 -10.489 8.579 1.00 0.00 C ATOM 1188 OD1 ASP A 76 2.210 -9.705 8.698 1.00 0.00 O ATOM 1189 OD2 ASP A 76 1.028 -11.371 9.382 1.00 0.00 O ATOM 0 H ASP A 76 -0.128 -8.774 5.419 1.00 0.00 H new ATOM 0 HA ASP A 76 2.200 -9.777 6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.239 -9.469 7.429 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.289 -11.214 7.282 1.00 0.00 H new ATOM 1194 N SER A 77 0.513 -12.503 5.529 1.00 0.00 N ATOM 1195 CA SER A 77 0.661 -13.894 5.058 1.00 0.00 C ATOM 1196 C SER A 77 0.676 -13.936 3.534 1.00 0.00 C ATOM 1197 O SER A 77 1.269 -14.823 2.953 1.00 0.00 O ATOM 1198 CB SER A 77 -0.523 -14.711 5.549 1.00 0.00 C ATOM 1199 OG SER A 77 -0.447 -14.856 6.961 1.00 0.00 O ATOM 0 H SER A 77 -0.431 -12.247 5.819 1.00 0.00 H new ATOM 0 HA SER A 77 1.597 -14.300 5.443 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.456 -14.220 5.273 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.525 -15.691 5.072 1.00 0.00 H new ATOM 0 HG SER A 77 -1.211 -15.381 7.278 1.00 0.00 H new ATOM 1205 N LEU A 78 0.012 -13.016 2.864 1.00 0.00 N ATOM 1206 CA LEU A 78 0.006 -13.078 1.378 1.00 0.00 C ATOM 1207 C LEU A 78 1.445 -13.249 0.917 1.00 0.00 C ATOM 1208 O LEU A 78 1.789 -14.213 0.270 1.00 0.00 O ATOM 1209 CB LEU A 78 -0.612 -11.796 0.784 1.00 0.00 C ATOM 1210 CG LEU A 78 -1.494 -12.157 -0.411 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -2.291 -10.928 -0.871 1.00 0.00 C ATOM 1212 CD2 LEU A 78 -0.613 -12.650 -1.560 1.00 0.00 C ATOM 0 H LEU A 78 -0.512 -12.245 3.278 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.600 -13.917 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.202 -11.280 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.176 -11.111 0.473 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.190 -12.942 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.916 -11.197 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.922 -10.577 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.602 -10.136 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.239 -12.908 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.085 -11.863 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.056 -13.530 -1.239 1.00 0.00 H new ATOM 1224 N ILE A 79 2.308 -12.342 1.305 1.00 0.00 N ATOM 1225 CA ILE A 79 3.734 -12.478 0.958 1.00 0.00 C ATOM 1226 C ILE A 79 4.156 -13.892 1.357 1.00 0.00 C ATOM 1227 O ILE A 79 4.675 -14.643 0.555 1.00 0.00 O ATOM 1228 CB ILE A 79 4.516 -11.398 1.765 1.00 0.00 C ATOM 1229 CG1 ILE A 79 4.811 -10.171 0.876 1.00 0.00 C ATOM 1230 CG2 ILE A 79 5.840 -11.945 2.322 1.00 0.00 C ATOM 1231 CD1 ILE A 79 5.662 -10.558 -0.346 1.00 0.00 C ATOM 0 H ILE A 79 2.073 -11.513 1.850 1.00 0.00 H new ATOM 0 HA ILE A 79 3.933 -12.332 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 79 3.884 -11.107 2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.873 -9.727 0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.333 -9.413 1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.353 -11.160 2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.636 -12.785 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.471 -12.278 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.852 -9.672 -0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.610 -10.979 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.127 -11.297 -0.942 1.00 0.00 H new ATOM 1243 N SER A 80 3.940 -14.259 2.595 1.00 0.00 N ATOM 1244 CA SER A 80 4.339 -15.624 3.023 1.00 0.00 C ATOM 1245 C SER A 80 3.840 -16.652 2.002 1.00 0.00 C ATOM 1246 O SER A 80 4.587 -17.497 1.540 1.00 0.00 O ATOM 1247 CB SER A 80 3.739 -15.937 4.395 1.00 0.00 C ATOM 1248 OG SER A 80 3.924 -14.821 5.256 1.00 0.00 O ATOM 0 H SER A 80 3.511 -13.678 3.315 1.00 0.00 H new ATOM 0 HA SER A 80 5.426 -15.672 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.677 -16.163 4.297 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.215 -16.821 4.819 1.00 0.00 H new ATOM 0 HG SER A 80 3.539 -15.019 6.135 1.00 0.00 H new ATOM 1254 N GLU A 81 2.577 -16.618 1.662 1.00 0.00 N ATOM 1255 CA GLU A 81 2.052 -17.628 0.709 1.00 0.00 C ATOM 1256 C GLU A 81 2.415 -17.293 -0.741 1.00 0.00 C ATOM 1257 O GLU A 81 2.488 -18.175 -1.574 1.00 0.00 O ATOM 1258 CB GLU A 81 0.529 -17.673 0.844 1.00 0.00 C ATOM 1259 CG GLU A 81 -0.015 -18.922 0.150 1.00 0.00 C ATOM 1260 CD GLU A 81 0.334 -20.160 0.977 1.00 0.00 C ATOM 1261 OE1 GLU A 81 -0.182 -20.279 2.076 1.00 0.00 O ATOM 1262 OE2 GLU A 81 1.110 -20.970 0.496 1.00 0.00 O ATOM 0 H GLU A 81 1.896 -15.939 2.002 1.00 0.00 H new ATOM 0 HA GLU A 81 2.501 -18.592 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.248 -17.679 1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.089 -16.779 0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.096 -18.844 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.409 -19.009 -0.850 1.00 0.00 H new ATOM 1269 N ALA A 82 2.572 -16.040 -1.091 1.00 0.00 N ATOM 1270 CA ALA A 82 2.837 -15.736 -2.531 1.00 0.00 C ATOM 1271 C ALA A 82 4.242 -16.191 -2.923 1.00 0.00 C ATOM 1272 O ALA A 82 4.492 -16.616 -4.032 1.00 0.00 O ATOM 1273 CB ALA A 82 2.705 -14.231 -2.778 1.00 0.00 C ATOM 0 H ALA A 82 2.530 -15.237 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 82 2.107 -16.272 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.899 -14.016 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.696 -13.907 -2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.426 -13.696 -2.159 1.00 0.00 H new ATOM 1279 N GLU A 83 5.173 -16.062 -2.009 1.00 0.00 N ATOM 1280 CA GLU A 83 6.579 -16.444 -2.316 1.00 0.00 C ATOM 1281 C GLU A 83 6.716 -17.959 -2.283 1.00 0.00 C ATOM 1282 O GLU A 83 7.494 -18.532 -3.018 1.00 0.00 O ATOM 1283 CB GLU A 83 7.536 -15.803 -1.307 1.00 0.00 C ATOM 1284 CG GLU A 83 7.295 -16.400 0.081 1.00 0.00 C ATOM 1285 CD GLU A 83 8.045 -15.578 1.132 1.00 0.00 C ATOM 1286 OE1 GLU A 83 7.698 -14.423 1.310 1.00 0.00 O ATOM 1287 OE2 GLU A 83 8.953 -16.119 1.742 1.00 0.00 O ATOM 0 H GLU A 83 5.016 -15.708 -1.065 1.00 0.00 H new ATOM 0 HA GLU A 83 6.837 -16.084 -3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.569 -15.972 -1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.384 -14.724 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.228 -16.408 0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.633 -17.436 0.106 1.00 0.00 H new ATOM 1294 N THR A 84 5.949 -18.627 -1.468 1.00 0.00 N ATOM 1295 CA THR A 84 6.040 -20.109 -1.449 1.00 0.00 C ATOM 1296 C THR A 84 5.748 -20.598 -2.876 1.00 0.00 C ATOM 1297 O THR A 84 6.463 -21.408 -3.433 1.00 0.00 O ATOM 1298 CB THR A 84 4.993 -20.662 -0.449 1.00 0.00 C ATOM 1299 OG1 THR A 84 4.469 -19.581 0.308 1.00 0.00 O ATOM 1300 CG2 THR A 84 5.637 -21.671 0.510 1.00 0.00 C ATOM 0 H THR A 84 5.273 -18.217 -0.824 1.00 0.00 H new ATOM 0 HA THR A 84 7.025 -20.452 -1.134 1.00 0.00 H new ATOM 0 HB THR A 84 4.202 -21.163 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.199 -19.124 0.775 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.884 -22.046 1.203 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.051 -22.502 -0.061 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.434 -21.183 1.070 1.00 0.00 H new ATOM 1308 N ARG A 85 4.682 -20.104 -3.453 1.00 0.00 N ATOM 1309 CA ARG A 85 4.285 -20.510 -4.832 1.00 0.00 C ATOM 1310 C ARG A 85 5.506 -20.633 -5.741 1.00 0.00 C ATOM 1311 O ARG A 85 5.601 -21.559 -6.521 1.00 0.00 O ATOM 1312 CB ARG A 85 3.331 -19.450 -5.410 1.00 0.00 C ATOM 1313 CG ARG A 85 3.134 -19.656 -6.932 1.00 0.00 C ATOM 1314 CD ARG A 85 4.302 -19.048 -7.757 1.00 0.00 C ATOM 1315 NE ARG A 85 3.738 -18.315 -8.926 1.00 0.00 N ATOM 1316 CZ ARG A 85 4.496 -17.511 -9.619 1.00 0.00 C ATOM 1317 NH1 ARG A 85 5.745 -17.342 -9.282 1.00 0.00 N ATOM 1318 NH2 ARG A 85 4.006 -16.878 -10.650 1.00 0.00 N ATOM 0 H ARG A 85 4.060 -19.424 -3.017 1.00 0.00 H new ATOM 0 HA ARG A 85 3.793 -21.481 -4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.368 -19.507 -4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.731 -18.454 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.055 -20.722 -7.146 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.195 -19.198 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.890 -18.372 -7.136 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.975 -19.836 -8.095 1.00 0.00 H new ATOM 0 HE ARG A 85 2.759 -18.442 -9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.128 -17.838 -8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.339 -16.714 -9.823 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.030 -17.012 -10.914 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.599 -16.249 -11.192 1.00 0.00 H new ATOM 1332 N GLY A 86 6.438 -19.709 -5.667 1.00 0.00 N ATOM 1333 CA GLY A 86 7.650 -19.779 -6.555 1.00 0.00 C ATOM 1334 C GLY A 86 7.786 -18.469 -7.351 1.00 0.00 C ATOM 1335 O GLY A 86 7.857 -18.473 -8.564 1.00 0.00 O ATOM 0 H GLY A 86 6.414 -18.911 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.544 -19.945 -5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.564 -20.624 -7.238 1.00 0.00 H new ATOM 1339 N ILE A 87 7.840 -17.353 -6.673 1.00 0.00 N ATOM 1340 CA ILE A 87 7.992 -16.037 -7.372 1.00 0.00 C ATOM 1341 C ILE A 87 9.285 -16.065 -8.204 1.00 0.00 C ATOM 1342 O ILE A 87 9.318 -15.679 -9.354 1.00 0.00 O ATOM 1343 CB ILE A 87 8.095 -14.937 -6.292 1.00 0.00 C ATOM 1344 CG1 ILE A 87 6.696 -14.593 -5.765 1.00 0.00 C ATOM 1345 CG2 ILE A 87 8.750 -13.671 -6.860 1.00 0.00 C ATOM 1346 CD1 ILE A 87 6.803 -13.701 -4.520 1.00 0.00 C ATOM 0 H ILE A 87 7.785 -17.294 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 87 7.144 -15.843 -8.029 1.00 0.00 H new ATOM 0 HB ILE A 87 8.714 -15.315 -5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.123 -14.082 -6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.156 -15.508 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.811 -12.912 -6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.753 -13.908 -7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.152 -13.293 -7.689 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.804 -13.464 -4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.358 -14.226 -3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.324 -12.779 -4.777 1.00 0.00 H new ATOM 1358 N THR A 88 10.320 -16.548 -7.584 1.00 0.00 N ATOM 1359 CA THR A 88 11.662 -16.654 -8.246 1.00 0.00 C ATOM 1360 C THR A 88 12.677 -17.163 -7.246 1.00 0.00 C ATOM 1361 O THR A 88 13.687 -16.528 -7.019 1.00 0.00 O ATOM 1362 CB THR A 88 12.127 -15.262 -8.717 1.00 0.00 C ATOM 1363 OG1 THR A 88 13.321 -15.401 -9.473 1.00 0.00 O ATOM 1364 CG2 THR A 88 12.394 -14.327 -7.513 1.00 0.00 C ATOM 0 H THR A 88 10.299 -16.884 -6.621 1.00 0.00 H new ATOM 0 HA THR A 88 11.579 -17.333 -9.095 1.00 0.00 H new ATOM 0 HB THR A 88 11.338 -14.822 -9.328 1.00 0.00 H new ATOM 0 HG1 THR A 88 14.011 -15.824 -8.920 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.721 -13.352 -7.875 1.00 0.00 H new ATOM 0 HG22 THR A 88 11.479 -14.211 -6.933 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.171 -14.759 -6.882 1.00 0.00 H new ATOM 1372 N SER A 89 12.454 -18.303 -6.654 1.00 0.00 N ATOM 1373 CA SER A 89 13.452 -18.806 -5.666 1.00 0.00 C ATOM 1374 C SER A 89 13.838 -17.657 -4.714 1.00 0.00 C ATOM 1375 O SER A 89 14.796 -17.753 -3.979 1.00 0.00 O ATOM 1376 CB SER A 89 14.699 -19.284 -6.411 1.00 0.00 C ATOM 1377 OG SER A 89 14.307 -20.142 -7.474 1.00 0.00 O ATOM 0 H SER A 89 11.641 -18.899 -6.806 1.00 0.00 H new ATOM 0 HA SER A 89 13.026 -19.632 -5.096 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.253 -18.431 -6.802 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.365 -19.812 -5.729 1.00 0.00 H new ATOM 0 HG SER A 89 15.103 -20.450 -7.956 1.00 0.00 H new ATOM 1383 N TYR A 90 13.070 -16.580 -4.741 1.00 0.00 N ATOM 1384 CA TYR A 90 13.314 -15.380 -3.871 1.00 0.00 C ATOM 1385 C TYR A 90 14.783 -14.924 -3.866 1.00 0.00 C ATOM 1386 O TYR A 90 15.710 -15.705 -3.837 1.00 0.00 O ATOM 1387 CB TYR A 90 12.843 -15.658 -2.442 1.00 0.00 C ATOM 1388 CG TYR A 90 13.382 -16.982 -1.962 1.00 0.00 C ATOM 1389 CD1 TYR A 90 14.630 -17.044 -1.331 1.00 0.00 C ATOM 1390 CD2 TYR A 90 12.632 -18.149 -2.147 1.00 0.00 C ATOM 1391 CE1 TYR A 90 15.129 -18.275 -0.887 1.00 0.00 C ATOM 1392 CE2 TYR A 90 13.130 -19.379 -1.704 1.00 0.00 C ATOM 1393 CZ TYR A 90 14.379 -19.443 -1.073 1.00 0.00 C ATOM 1394 OH TYR A 90 14.870 -20.656 -0.635 1.00 0.00 O ATOM 0 H TYR A 90 12.259 -16.486 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 90 12.734 -14.562 -4.299 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.178 -14.860 -1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 90 11.754 -15.666 -2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.208 -16.143 -1.187 1.00 0.00 H new ATOM 0 HD2 TYR A 90 11.668 -18.100 -2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.092 -18.324 -0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 90 12.551 -20.279 -1.849 1.00 0.00 H new ATOM 0 HH TYR A 90 14.224 -21.364 -0.841 1.00 0.00 H new ATOM 1404 N ASN A 91 14.986 -13.630 -3.896 1.00 0.00 N ATOM 1405 CA ASN A 91 16.365 -13.060 -3.898 1.00 0.00 C ATOM 1406 C ASN A 91 16.433 -11.828 -2.946 1.00 0.00 C ATOM 1407 O ASN A 91 17.046 -11.935 -1.901 1.00 0.00 O ATOM 1408 CB ASN A 91 16.751 -12.695 -5.352 1.00 0.00 C ATOM 1409 CG ASN A 91 17.524 -13.850 -6.006 1.00 0.00 C ATOM 1410 OD1 ASN A 91 16.939 -14.828 -6.428 1.00 0.00 O ATOM 1411 ND2 ASN A 91 18.824 -13.773 -6.105 1.00 0.00 N ATOM 0 H ASN A 91 14.240 -12.935 -3.920 1.00 0.00 H new ATOM 0 HA ASN A 91 17.082 -13.792 -3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 91 15.853 -12.477 -5.930 1.00 0.00 H new ATOM 0 HB3 ASN A 91 17.361 -11.792 -5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.349 -14.534 -6.537 1.00 0.00 H new ATOM 0 HD22 ASN A 91 19.315 -12.952 -5.751 1.00 0.00 H new ATOM 1418 N PRO A 92 15.811 -10.690 -3.288 1.00 0.00 N ATOM 1419 CA PRO A 92 15.838 -9.496 -2.399 1.00 0.00 C ATOM 1420 C PRO A 92 14.909 -9.667 -1.196 1.00 0.00 C ATOM 1421 O PRO A 92 15.165 -9.124 -0.139 1.00 0.00 O ATOM 1422 CB PRO A 92 15.300 -8.361 -3.280 1.00 0.00 C ATOM 1423 CG PRO A 92 14.448 -9.049 -4.364 1.00 0.00 C ATOM 1424 CD PRO A 92 15.049 -10.453 -4.548 1.00 0.00 C ATOM 0 HA PRO A 92 16.838 -9.318 -2.005 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.702 -7.661 -2.696 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.115 -7.790 -3.725 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.403 -9.109 -4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.476 -8.487 -5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.272 -11.204 -4.691 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.699 -10.497 -5.422 1.00 0.00 H new ATOM 1432 N LEU A 93 13.832 -10.394 -1.330 1.00 0.00 N ATOM 1433 CA LEU A 93 12.931 -10.544 -0.153 1.00 0.00 C ATOM 1434 C LEU A 93 13.792 -11.009 1.004 1.00 0.00 C ATOM 1435 O LEU A 93 13.804 -10.398 2.036 1.00 0.00 O ATOM 1436 CB LEU A 93 11.810 -11.546 -0.444 1.00 0.00 C ATOM 1437 CG LEU A 93 11.349 -11.394 -1.913 1.00 0.00 C ATOM 1438 CD1 LEU A 93 12.074 -12.422 -2.790 1.00 0.00 C ATOM 1439 CD2 LEU A 93 9.831 -11.620 -2.007 1.00 0.00 C ATOM 0 H LEU A 93 13.543 -10.878 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 93 12.446 -9.597 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.161 -12.562 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.971 -11.375 0.231 1.00 0.00 H new ATOM 0 HG LEU A 93 11.587 -10.389 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.747 -12.313 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.150 -12.257 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.841 -13.428 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.511 -11.512 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.590 -12.623 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.315 -10.885 -1.389 1.00 0.00 H new ATOM 1451 N ALA A 94 14.505 -12.090 0.783 1.00 0.00 N ATOM 1452 CA ALA A 94 15.435 -12.695 1.802 1.00 0.00 C ATOM 1453 C ALA A 94 15.605 -11.759 3.007 1.00 0.00 C ATOM 1454 O ALA A 94 15.324 -12.111 4.135 1.00 0.00 O ATOM 1455 CB ALA A 94 16.788 -12.912 1.124 1.00 0.00 C ATOM 0 H ALA A 94 14.480 -12.601 -0.100 1.00 0.00 H new ATOM 0 HA ALA A 94 15.025 -13.637 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.486 -13.350 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.666 -13.585 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.178 -11.956 0.775 1.00 0.00 H new ATOM 1461 N GLY A 95 16.025 -10.550 2.749 1.00 0.00 N ATOM 1462 CA GLY A 95 16.177 -9.544 3.848 1.00 0.00 C ATOM 1463 C GLY A 95 14.772 -9.192 4.365 1.00 0.00 C ATOM 1464 O GLY A 95 13.854 -9.960 4.183 1.00 0.00 O ATOM 0 H GLY A 95 16.272 -10.211 1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.790 -9.949 4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.683 -8.651 3.481 1.00 0.00 H new ATOM 1468 N PRO A 96 14.608 -8.055 5.002 1.00 0.00 N ATOM 1469 CA PRO A 96 13.270 -7.675 5.491 1.00 0.00 C ATOM 1470 C PRO A 96 12.423 -7.279 4.263 1.00 0.00 C ATOM 1471 O PRO A 96 12.948 -7.205 3.171 1.00 0.00 O ATOM 1472 CB PRO A 96 13.529 -6.489 6.442 1.00 0.00 C ATOM 1473 CG PRO A 96 15.038 -6.106 6.295 1.00 0.00 C ATOM 1474 CD PRO A 96 15.690 -7.120 5.321 1.00 0.00 C ATOM 0 HA PRO A 96 12.729 -8.463 6.015 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.890 -5.644 6.187 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.299 -6.763 7.472 1.00 0.00 H new ATOM 0 HG2 PRO A 96 15.139 -5.090 5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 96 15.535 -6.133 7.264 1.00 0.00 H new ATOM 0 HD2 PRO A 96 16.067 -6.626 4.425 1.00 0.00 H new ATOM 0 HD3 PRO A 96 16.535 -7.631 5.784 1.00 0.00 H new ATOM 1482 N LEU A 97 11.141 -7.024 4.386 1.00 0.00 N ATOM 1483 CA LEU A 97 10.359 -6.646 3.159 1.00 0.00 C ATOM 1484 C LEU A 97 10.643 -5.180 2.787 1.00 0.00 C ATOM 1485 O LEU A 97 11.094 -4.903 1.692 1.00 0.00 O ATOM 1486 CB LEU A 97 8.862 -6.846 3.409 1.00 0.00 C ATOM 1487 CG LEU A 97 8.635 -8.165 4.151 1.00 0.00 C ATOM 1488 CD1 LEU A 97 7.134 -8.384 4.350 1.00 0.00 C ATOM 1489 CD2 LEU A 97 9.214 -9.321 3.331 1.00 0.00 C ATOM 0 H LEU A 97 10.611 -7.059 5.257 1.00 0.00 H new ATOM 0 HA LEU A 97 10.665 -7.286 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.467 -6.016 3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.323 -6.853 2.462 1.00 0.00 H new ATOM 0 HG LEU A 97 9.130 -8.125 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.970 -9.323 4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.721 -7.562 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.640 -8.423 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.052 -10.260 3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.720 -9.362 2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.283 -9.166 3.188 1.00 0.00 H new ATOM 1501 N ARG A 98 10.358 -4.240 3.664 1.00 0.00 N ATOM 1502 CA ARG A 98 10.605 -2.783 3.347 1.00 0.00 C ATOM 1503 C ARG A 98 11.918 -2.642 2.555 1.00 0.00 C ATOM 1504 O ARG A 98 12.129 -1.716 1.800 1.00 0.00 O ATOM 1505 CB ARG A 98 10.731 -2.004 4.675 1.00 0.00 C ATOM 1506 CG ARG A 98 9.346 -1.540 5.149 1.00 0.00 C ATOM 1507 CD ARG A 98 9.414 -1.140 6.624 1.00 0.00 C ATOM 1508 NE ARG A 98 9.804 -2.322 7.444 1.00 0.00 N ATOM 1509 CZ ARG A 98 10.211 -2.157 8.672 1.00 0.00 C ATOM 1510 NH1 ARG A 98 10.277 -0.958 9.183 1.00 0.00 N ATOM 1511 NH2 ARG A 98 10.553 -3.192 9.391 1.00 0.00 N ATOM 0 H ARG A 98 9.964 -4.416 4.588 1.00 0.00 H new ATOM 0 HA ARG A 98 9.780 -2.389 2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.191 -2.637 5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.385 -1.143 4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.009 -0.695 4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.617 -2.339 5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.137 -0.335 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.447 -0.759 6.953 1.00 0.00 H new ATOM 0 HE ARG A 98 9.753 -3.259 7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.010 -0.149 8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.595 -0.830 10.144 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.502 -4.129 8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.871 -3.063 10.351 1.00 0.00 H new ATOM 1525 N VAL A 99 12.775 -3.601 2.740 1.00 0.00 N ATOM 1526 CA VAL A 99 14.085 -3.628 2.036 1.00 0.00 C ATOM 1527 C VAL A 99 13.867 -4.109 0.596 1.00 0.00 C ATOM 1528 O VAL A 99 14.419 -3.569 -0.342 1.00 0.00 O ATOM 1529 CB VAL A 99 15.048 -4.585 2.797 1.00 0.00 C ATOM 1530 CG1 VAL A 99 15.955 -5.359 1.820 1.00 0.00 C ATOM 1531 CG2 VAL A 99 15.938 -3.766 3.748 1.00 0.00 C ATOM 0 H VAL A 99 12.619 -4.390 3.367 1.00 0.00 H new ATOM 0 HA VAL A 99 14.527 -2.632 2.010 1.00 0.00 H new ATOM 0 HB VAL A 99 14.442 -5.298 3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.616 -6.019 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.339 -5.952 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.552 -4.654 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.613 -4.435 4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.520 -3.047 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.312 -3.235 4.465 1.00 0.00 H new ATOM 1541 N GLN A 100 13.106 -5.143 0.426 1.00 0.00 N ATOM 1542 CA GLN A 100 12.891 -5.699 -0.934 1.00 0.00 C ATOM 1543 C GLN A 100 12.410 -4.631 -1.930 1.00 0.00 C ATOM 1544 O GLN A 100 12.946 -4.519 -3.015 1.00 0.00 O ATOM 1545 CB GLN A 100 11.893 -6.874 -0.848 1.00 0.00 C ATOM 1546 CG GLN A 100 10.440 -6.406 -1.024 1.00 0.00 C ATOM 1547 CD GLN A 100 9.501 -7.563 -0.695 1.00 0.00 C ATOM 1548 OE1 GLN A 100 9.138 -7.761 0.447 1.00 0.00 O ATOM 1549 NE2 GLN A 100 9.094 -8.345 -1.652 1.00 0.00 N ATOM 0 H GLN A 100 12.618 -5.633 1.175 1.00 0.00 H new ATOM 0 HA GLN A 100 13.847 -6.060 -1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.133 -7.611 -1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.000 -7.371 0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.236 -5.558 -0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.275 -6.067 -2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.399 -8.179 -2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.470 -9.124 -1.443 1.00 0.00 H new ATOM 1558 N ALA A 101 11.378 -3.883 -1.617 1.00 0.00 N ATOM 1559 CA ALA A 101 10.861 -2.883 -2.617 1.00 0.00 C ATOM 1560 C ALA A 101 11.558 -1.522 -2.488 1.00 0.00 C ATOM 1561 O ALA A 101 11.792 -0.862 -3.481 1.00 0.00 O ATOM 1562 CB ALA A 101 9.353 -2.715 -2.436 1.00 0.00 C ATOM 0 H ALA A 101 10.876 -3.917 -0.730 1.00 0.00 H new ATOM 0 HA ALA A 101 11.079 -3.266 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.978 -1.991 -3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.859 -3.674 -2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.145 -2.360 -1.427 1.00 0.00 H new ATOM 1568 N ASN A 102 11.881 -1.070 -1.311 1.00 0.00 N ATOM 1569 CA ASN A 102 12.548 0.267 -1.209 1.00 0.00 C ATOM 1570 C ASN A 102 13.942 0.200 -1.857 1.00 0.00 C ATOM 1571 O ASN A 102 14.870 0.843 -1.407 1.00 0.00 O ATOM 1572 CB ASN A 102 12.658 0.684 0.271 1.00 0.00 C ATOM 1573 CG ASN A 102 13.874 0.032 0.947 1.00 0.00 C ATOM 1574 OD1 ASN A 102 14.462 -0.985 0.381 1.00 0.00 O flip ATOM 1575 ND2 ASN A 102 14.291 0.457 2.006 1.00 0.00 N flip ATOM 0 H ASN A 102 11.719 -1.553 -0.427 1.00 0.00 H new ATOM 0 HA ASN A 102 11.952 1.012 -1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 102 12.739 1.769 0.340 1.00 0.00 H new ATOM 0 HB3 ASN A 102 11.749 0.398 0.800 1.00 0.00 H new ATOM 0 HD21 ASN A 102 13.834 1.252 2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.098 0.019 2.449 1.00 0.00 H new ATOM 1582 N ASN A 103 14.098 -0.592 -2.893 1.00 0.00 N ATOM 1583 CA ASN A 103 15.429 -0.736 -3.563 1.00 0.00 C ATOM 1584 C ASN A 103 15.296 -0.420 -5.070 1.00 0.00 C ATOM 1585 O ASN A 103 14.918 -1.291 -5.829 1.00 0.00 O ATOM 1586 CB ASN A 103 15.884 -2.191 -3.412 1.00 0.00 C ATOM 1587 CG ASN A 103 16.338 -2.440 -1.972 1.00 0.00 C ATOM 1588 OD1 ASN A 103 16.378 -1.529 -1.168 1.00 0.00 O ATOM 1589 ND2 ASN A 103 16.685 -3.644 -1.610 1.00 0.00 N ATOM 0 H ASN A 103 13.351 -1.150 -3.306 1.00 0.00 H new ATOM 0 HA ASN A 103 16.145 -0.050 -3.110 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.068 -2.866 -3.669 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.701 -2.401 -4.103 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.990 -3.821 -0.653 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.652 -4.409 -2.284 1.00 0.00 H new ATOM 1596 N PRO A 104 15.612 0.796 -5.484 1.00 0.00 N ATOM 1597 CA PRO A 104 15.518 1.163 -6.912 1.00 0.00 C ATOM 1598 C PRO A 104 16.376 0.212 -7.760 1.00 0.00 C ATOM 1599 O PRO A 104 16.117 0.014 -8.930 1.00 0.00 O ATOM 1600 CB PRO A 104 16.032 2.621 -6.984 1.00 0.00 C ATOM 1601 CG PRO A 104 16.202 3.121 -5.523 1.00 0.00 C ATOM 1602 CD PRO A 104 16.079 1.890 -4.599 1.00 0.00 C ATOM 0 HA PRO A 104 14.504 1.084 -7.303 1.00 0.00 H new ATOM 0 HB2 PRO A 104 16.980 2.669 -7.520 1.00 0.00 H new ATOM 0 HB3 PRO A 104 15.327 3.251 -7.527 1.00 0.00 H new ATOM 0 HG2 PRO A 104 17.170 3.604 -5.392 1.00 0.00 H new ATOM 0 HG3 PRO A 104 15.441 3.862 -5.279 1.00 0.00 H new ATOM 0 HD2 PRO A 104 17.036 1.644 -4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.372 2.072 -3.789 1.00 0.00 H new ATOM 1610 N GLN A 105 17.383 -0.387 -7.187 1.00 0.00 N ATOM 1611 CA GLN A 105 18.226 -1.327 -7.981 1.00 0.00 C ATOM 1612 C GLN A 105 17.434 -2.614 -8.233 1.00 0.00 C ATOM 1613 O GLN A 105 17.815 -3.445 -9.033 1.00 0.00 O ATOM 1614 CB GLN A 105 19.506 -1.650 -7.206 1.00 0.00 C ATOM 1615 CG GLN A 105 19.154 -2.008 -5.761 1.00 0.00 C ATOM 1616 CD GLN A 105 20.397 -2.550 -5.052 1.00 0.00 C ATOM 1617 OE1 GLN A 105 20.630 -3.742 -5.037 1.00 0.00 O ATOM 1618 NE2 GLN A 105 21.209 -1.718 -4.459 1.00 0.00 N ATOM 0 H GLN A 105 17.658 -0.269 -6.212 1.00 0.00 H new ATOM 0 HA GLN A 105 18.494 -0.869 -8.933 1.00 0.00 H new ATOM 0 HB2 GLN A 105 20.030 -2.480 -7.680 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.181 -0.794 -7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 105 18.779 -1.128 -5.238 1.00 0.00 H new ATOM 0 HG3 GLN A 105 18.358 -2.753 -5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 105 21.013 -0.717 -4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 105 22.040 -2.069 -3.983 1.00 0.00 H new ATOM 1627 N GLN A 106 16.329 -2.776 -7.554 1.00 0.00 N ATOM 1628 CA GLN A 106 15.489 -3.998 -7.740 1.00 0.00 C ATOM 1629 C GLN A 106 14.027 -3.627 -7.491 1.00 0.00 C ATOM 1630 O GLN A 106 13.448 -3.973 -6.480 1.00 0.00 O ATOM 1631 CB GLN A 106 15.924 -5.075 -6.743 1.00 0.00 C ATOM 1632 CG GLN A 106 17.331 -5.561 -7.098 1.00 0.00 C ATOM 1633 CD GLN A 106 17.683 -6.779 -6.241 1.00 0.00 C ATOM 1634 OE1 GLN A 106 17.362 -7.897 -6.591 1.00 0.00 O ATOM 1635 NE2 GLN A 106 18.337 -6.607 -5.124 1.00 0.00 N ATOM 0 H GLN A 106 15.969 -2.108 -6.872 1.00 0.00 H new ATOM 0 HA GLN A 106 15.608 -4.383 -8.753 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.911 -4.674 -5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.223 -5.910 -6.764 1.00 0.00 H new ATOM 0 HG2 GLN A 106 17.381 -5.821 -8.155 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.055 -4.764 -6.931 1.00 0.00 H new ATOM 0 HE21 GLN A 106 18.607 -5.668 -4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 106 18.578 -7.411 -4.545 1.00 0.00 H new ATOM 1644 N GLN A 107 13.432 -2.906 -8.403 1.00 0.00 N ATOM 1645 CA GLN A 107 12.013 -2.484 -8.225 1.00 0.00 C ATOM 1646 C GLN A 107 11.060 -3.597 -8.679 1.00 0.00 C ATOM 1647 O GLN A 107 9.861 -3.471 -8.563 1.00 0.00 O ATOM 1648 CB GLN A 107 11.752 -1.225 -9.055 1.00 0.00 C ATOM 1649 CG GLN A 107 12.092 -1.498 -10.521 1.00 0.00 C ATOM 1650 CD GLN A 107 11.889 -0.220 -11.338 1.00 0.00 C ATOM 1651 OE1 GLN A 107 10.996 -0.145 -12.158 1.00 0.00 O ATOM 1652 NE2 GLN A 107 12.687 0.794 -11.147 1.00 0.00 N ATOM 0 H GLN A 107 13.870 -2.590 -9.268 1.00 0.00 H new ATOM 0 HA GLN A 107 11.837 -2.279 -7.169 1.00 0.00 H new ATOM 0 HB2 GLN A 107 10.708 -0.926 -8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 107 12.354 -0.398 -8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 107 13.124 -1.839 -10.609 1.00 0.00 H new ATOM 0 HG3 GLN A 107 11.459 -2.295 -10.910 1.00 0.00 H new ATOM 0 HE21 GLN A 107 13.437 0.730 -10.458 1.00 0.00 H new ATOM 0 HE22 GLN A 107 12.561 1.651 -11.686 1.00 0.00 H new ATOM 1661 N GLY A 108 11.572 -4.685 -9.192 1.00 0.00 N ATOM 1662 CA GLY A 108 10.671 -5.795 -9.643 1.00 0.00 C ATOM 1663 C GLY A 108 9.601 -6.046 -8.579 1.00 0.00 C ATOM 1664 O GLY A 108 8.439 -5.734 -8.750 1.00 0.00 O ATOM 0 H GLY A 108 12.570 -4.856 -9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.202 -5.534 -10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.251 -6.702 -9.813 1.00 0.00 H new ATOM 1668 N LEU A 109 10.014 -6.578 -7.471 1.00 0.00 N ATOM 1669 CA LEU A 109 9.061 -6.828 -6.353 1.00 0.00 C ATOM 1670 C LEU A 109 8.200 -5.575 -6.147 1.00 0.00 C ATOM 1671 O LEU A 109 6.992 -5.671 -6.076 1.00 0.00 O ATOM 1672 CB LEU A 109 9.834 -7.166 -5.065 1.00 0.00 C ATOM 1673 CG LEU A 109 10.403 -8.604 -5.109 1.00 0.00 C ATOM 1674 CD1 LEU A 109 9.321 -9.632 -4.739 1.00 0.00 C ATOM 1675 CD2 LEU A 109 10.975 -8.938 -6.497 1.00 0.00 C ATOM 0 H LEU A 109 10.978 -6.854 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 109 8.419 -7.674 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.649 -6.455 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.174 -7.061 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 109 11.210 -8.654 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.745 -10.636 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.956 -9.430 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.494 -9.560 -5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.367 -9.955 -6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.187 -8.855 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.778 -8.241 -6.737 1.00 0.00 H new ATOM 1687 N ARG A 110 8.793 -4.411 -6.029 1.00 0.00 N ATOM 1688 CA ARG A 110 7.971 -3.168 -5.810 1.00 0.00 C ATOM 1689 C ARG A 110 6.716 -3.197 -6.697 1.00 0.00 C ATOM 1690 O ARG A 110 5.652 -2.770 -6.291 1.00 0.00 O ATOM 1691 CB ARG A 110 8.798 -1.917 -6.128 1.00 0.00 C ATOM 1692 CG ARG A 110 8.027 -0.670 -5.688 1.00 0.00 C ATOM 1693 CD ARG A 110 8.874 0.576 -5.959 1.00 0.00 C ATOM 1694 NE ARG A 110 10.177 0.459 -5.243 1.00 0.00 N ATOM 1695 CZ ARG A 110 11.169 1.247 -5.560 1.00 0.00 C ATOM 1696 NH1 ARG A 110 11.021 2.136 -6.504 1.00 0.00 N ATOM 1697 NH2 ARG A 110 12.310 1.146 -4.934 1.00 0.00 N ATOM 0 H ARG A 110 9.801 -4.263 -6.074 1.00 0.00 H new ATOM 0 HA ARG A 110 7.669 -3.136 -4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 110 9.759 -1.963 -5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.009 -1.869 -7.196 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.082 -0.605 -6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.785 -0.735 -4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.044 0.687 -7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 110 8.344 1.468 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 110 10.293 -0.236 -4.506 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.130 2.216 -6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 110 11.796 2.751 -6.751 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.427 0.451 -4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.084 1.762 -5.182 1.00 0.00 H new ATOM 1711 N ARG A 111 6.815 -3.729 -7.887 1.00 0.00 N ATOM 1712 CA ARG A 111 5.607 -3.812 -8.763 1.00 0.00 C ATOM 1713 C ARG A 111 4.842 -5.088 -8.408 1.00 0.00 C ATOM 1714 O ARG A 111 3.628 -5.107 -8.427 1.00 0.00 O ATOM 1715 CB ARG A 111 6.009 -3.828 -10.246 1.00 0.00 C ATOM 1716 CG ARG A 111 6.930 -2.619 -10.577 1.00 0.00 C ATOM 1717 CD ARG A 111 8.206 -3.099 -11.283 1.00 0.00 C ATOM 1718 NE ARG A 111 7.843 -3.884 -12.497 1.00 0.00 N ATOM 1719 CZ ARG A 111 8.750 -4.150 -13.397 1.00 0.00 C ATOM 1720 NH1 ARG A 111 9.974 -3.726 -13.235 1.00 0.00 N ATOM 1721 NH2 ARG A 111 8.434 -4.841 -14.459 1.00 0.00 N ATOM 0 H ARG A 111 7.673 -4.107 -8.289 1.00 0.00 H new ATOM 0 HA ARG A 111 4.976 -2.938 -8.600 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.525 -4.760 -10.478 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.116 -3.794 -10.871 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.398 -1.912 -11.213 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.190 -2.090 -9.660 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.823 -2.244 -11.562 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.799 -3.713 -10.605 1.00 0.00 H new ATOM 0 HE ARG A 111 6.886 -4.213 -12.624 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.221 -3.187 -12.405 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.683 -3.934 -13.938 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.478 -5.173 -14.585 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.143 -5.049 -15.162 1.00 0.00 H new ATOM 1735 N GLU A 112 5.517 -6.142 -8.041 1.00 0.00 N ATOM 1736 CA GLU A 112 4.772 -7.371 -7.644 1.00 0.00 C ATOM 1737 C GLU A 112 3.840 -6.978 -6.498 1.00 0.00 C ATOM 1738 O GLU A 112 2.730 -7.454 -6.372 1.00 0.00 O ATOM 1739 CB GLU A 112 5.752 -8.444 -7.171 1.00 0.00 C ATOM 1740 CG GLU A 112 5.028 -9.786 -7.073 1.00 0.00 C ATOM 1741 CD GLU A 112 5.896 -10.769 -6.290 1.00 0.00 C ATOM 1742 OE1 GLU A 112 6.116 -10.526 -5.115 1.00 0.00 O ATOM 1743 OE2 GLU A 112 6.329 -11.745 -6.880 1.00 0.00 O ATOM 0 H GLU A 112 6.534 -6.207 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 112 4.208 -7.774 -8.486 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.588 -8.520 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.167 -8.171 -6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.065 -9.658 -6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.824 -10.177 -8.070 1.00 0.00 H new ATOM 1750 N TYR A 113 4.300 -6.069 -5.688 1.00 0.00 N ATOM 1751 CA TYR A 113 3.462 -5.580 -4.562 1.00 0.00 C ATOM 1752 C TYR A 113 2.197 -4.983 -5.179 1.00 0.00 C ATOM 1753 O TYR A 113 1.102 -5.462 -4.957 1.00 0.00 O ATOM 1754 CB TYR A 113 4.230 -4.512 -3.757 1.00 0.00 C ATOM 1755 CG TYR A 113 4.945 -5.166 -2.594 1.00 0.00 C ATOM 1756 CD1 TYR A 113 5.592 -6.391 -2.778 1.00 0.00 C ATOM 1757 CD2 TYR A 113 4.949 -4.553 -1.334 1.00 0.00 C ATOM 1758 CE1 TYR A 113 6.244 -7.006 -1.706 1.00 0.00 C ATOM 1759 CE2 TYR A 113 5.604 -5.168 -0.260 1.00 0.00 C ATOM 1760 CZ TYR A 113 6.251 -6.395 -0.446 1.00 0.00 C ATOM 1761 OH TYR A 113 6.894 -7.004 0.612 1.00 0.00 O ATOM 0 H TYR A 113 5.224 -5.642 -5.758 1.00 0.00 H new ATOM 0 HA TYR A 113 3.211 -6.389 -3.876 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.949 -4.005 -4.400 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.539 -3.752 -3.391 1.00 0.00 H new ATOM 0 HD1 TYR A 113 5.588 -6.863 -3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 113 4.447 -3.607 -1.191 1.00 0.00 H new ATOM 0 HE1 TYR A 113 6.743 -7.953 -1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 113 5.610 -4.696 0.711 1.00 0.00 H new ATOM 0 HH TYR A 113 7.830 -6.716 0.636 1.00 0.00 H new ATOM 1771 N GLN A 114 2.354 -3.935 -5.947 1.00 0.00 N ATOM 1772 CA GLN A 114 1.184 -3.270 -6.606 1.00 0.00 C ATOM 1773 C GLN A 114 0.154 -4.318 -7.052 1.00 0.00 C ATOM 1774 O GLN A 114 -1.024 -4.038 -7.155 1.00 0.00 O ATOM 1775 CB GLN A 114 1.685 -2.500 -7.832 1.00 0.00 C ATOM 1776 CG GLN A 114 0.555 -1.649 -8.419 1.00 0.00 C ATOM 1777 CD GLN A 114 0.975 -1.126 -9.794 1.00 0.00 C ATOM 1778 OE1 GLN A 114 0.339 -1.417 -10.787 1.00 0.00 O ATOM 1779 NE2 GLN A 114 2.029 -0.363 -9.894 1.00 0.00 N ATOM 0 H GLN A 114 3.256 -3.504 -6.150 1.00 0.00 H new ATOM 0 HA GLN A 114 0.708 -2.591 -5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 114 2.523 -1.862 -7.552 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.053 -3.198 -8.584 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -0.355 -2.243 -8.506 1.00 0.00 H new ATOM 0 HG3 GLN A 114 0.329 -0.815 -7.754 1.00 0.00 H new ATOM 0 HE21 GLN A 114 2.563 -0.119 -9.060 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.319 -0.011 -10.806 1.00 0.00 H new ATOM 1788 N GLN A 115 0.589 -5.521 -7.321 1.00 0.00 N ATOM 1789 CA GLN A 115 -0.365 -6.582 -7.763 1.00 0.00 C ATOM 1790 C GLN A 115 -0.958 -7.294 -6.544 1.00 0.00 C ATOM 1791 O GLN A 115 -2.152 -7.520 -6.466 1.00 0.00 O ATOM 1792 CB GLN A 115 0.377 -7.601 -8.632 1.00 0.00 C ATOM 1793 CG GLN A 115 0.905 -6.911 -9.891 1.00 0.00 C ATOM 1794 CD GLN A 115 1.540 -7.952 -10.815 1.00 0.00 C ATOM 1795 OE1 GLN A 115 2.639 -7.764 -11.298 1.00 0.00 O ATOM 1796 NE2 GLN A 115 0.890 -9.052 -11.082 1.00 0.00 N ATOM 0 H GLN A 115 1.563 -5.815 -7.254 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.170 -6.122 -8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.203 -8.040 -8.072 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.292 -8.417 -8.905 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.092 -6.399 -10.406 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.639 -6.152 -9.622 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -0.033 -9.210 -10.677 1.00 0.00 H new ATOM 0 HE22 GLN A 115 1.305 -9.753 -11.696 1.00 0.00 H new ATOM 1805 N LEU A 116 -0.141 -7.648 -5.587 1.00 0.00 N ATOM 1806 CA LEU A 116 -0.668 -8.345 -4.377 1.00 0.00 C ATOM 1807 C LEU A 116 -1.169 -7.306 -3.375 1.00 0.00 C ATOM 1808 O LEU A 116 -1.869 -7.620 -2.433 1.00 0.00 O ATOM 1809 CB LEU A 116 0.452 -9.169 -3.732 1.00 0.00 C ATOM 1810 CG LEU A 116 1.178 -9.992 -4.801 1.00 0.00 C ATOM 1811 CD1 LEU A 116 2.340 -10.749 -4.154 1.00 0.00 C ATOM 1812 CD2 LEU A 116 0.203 -10.993 -5.431 1.00 0.00 C ATOM 0 H LEU A 116 0.866 -7.485 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.486 -9.005 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.158 -8.508 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.037 -9.830 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 116 1.560 -9.326 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.859 -11.336 -4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.034 -10.037 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.955 -11.414 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.722 -11.577 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.182 -11.661 -4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.625 -10.454 -5.891 1.00 0.00 H new ATOM 1824 N TRP A 117 -0.814 -6.066 -3.576 1.00 0.00 N ATOM 1825 CA TRP A 117 -1.262 -4.996 -2.642 1.00 0.00 C ATOM 1826 C TRP A 117 -2.650 -4.497 -3.054 1.00 0.00 C ATOM 1827 O TRP A 117 -3.523 -4.317 -2.225 1.00 0.00 O ATOM 1828 CB TRP A 117 -0.270 -3.832 -2.687 1.00 0.00 C ATOM 1829 CG TRP A 117 -0.600 -2.859 -1.602 1.00 0.00 C ATOM 1830 CD1 TRP A 117 -1.670 -2.032 -1.601 1.00 0.00 C ATOM 1831 CD2 TRP A 117 0.121 -2.599 -0.363 1.00 0.00 C ATOM 1832 NE1 TRP A 117 -1.652 -1.280 -0.439 1.00 0.00 N ATOM 1833 CE2 TRP A 117 -0.568 -1.594 0.356 1.00 0.00 C ATOM 1834 CE3 TRP A 117 1.295 -3.132 0.202 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 -0.110 -1.134 1.591 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 1.758 -2.671 1.445 1.00 0.00 C ATOM 1837 CH2 TRP A 117 1.057 -1.674 2.138 1.00 0.00 C ATOM 0 H TRP A 117 -0.231 -5.748 -4.350 1.00 0.00 H new ATOM 0 HA TRP A 117 -1.309 -5.398 -1.630 1.00 0.00 H new ATOM 0 HB2 TRP A 117 0.748 -4.202 -2.562 1.00 0.00 H new ATOM 0 HB3 TRP A 117 -0.314 -3.339 -3.658 1.00 0.00 H new ATOM 0 HD1 TRP A 117 -2.416 -1.969 -2.379 1.00 0.00 H new ATOM 0 HE1 TRP A 117 -2.354 -0.580 -0.199 1.00 0.00 H new ATOM 0 HE3 TRP A 117 1.843 -3.900 -0.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 -0.654 -0.366 2.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 2.660 -3.087 1.870 1.00 0.00 H new ATOM 0 HH2 TRP A 117 1.419 -1.324 3.094 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.893 -4.330 -4.328 1.00 0.00 N ATOM 1849 CA LEU A 118 -4.244 -3.892 -4.767 1.00 0.00 C ATOM 1850 C LEU A 118 -5.223 -5.041 -4.528 1.00 0.00 C ATOM 1851 O LEU A 118 -6.353 -4.812 -4.147 1.00 0.00 O ATOM 1852 CB LEU A 118 -4.203 -3.451 -6.232 1.00 0.00 C ATOM 1853 CG LEU A 118 -3.275 -2.225 -6.361 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -3.046 -1.906 -7.841 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -3.898 -0.997 -5.656 1.00 0.00 C ATOM 0 H LEU A 118 -2.216 -4.478 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.580 -3.029 -4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.841 -4.265 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -5.206 -3.202 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.322 -2.456 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -2.390 -1.040 -7.929 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.583 -2.763 -8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.001 -1.688 -8.318 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.230 -0.142 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.859 -0.763 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.045 -1.220 -4.599 1.00 0.00 H new ATOM 1867 N ALA A 119 -4.803 -6.277 -4.641 1.00 0.00 N ATOM 1868 CA ALA A 119 -5.746 -7.377 -4.286 1.00 0.00 C ATOM 1869 C ALA A 119 -6.134 -7.122 -2.829 1.00 0.00 C ATOM 1870 O ALA A 119 -7.261 -6.756 -2.563 1.00 0.00 O ATOM 1871 CB ALA A 119 -5.084 -8.748 -4.447 1.00 0.00 C ATOM 0 H ALA A 119 -3.876 -6.565 -4.954 1.00 0.00 H new ATOM 0 HA ALA A 119 -6.617 -7.386 -4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -5.796 -9.529 -4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.769 -8.881 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.215 -8.811 -3.793 1.00 0.00 H new ATOM 1877 N ALA A 120 -5.255 -7.293 -1.881 1.00 0.00 N ATOM 1878 CA ALA A 120 -5.644 -7.014 -0.464 1.00 0.00 C ATOM 1879 C ALA A 120 -6.340 -5.648 -0.351 1.00 0.00 C ATOM 1880 O ALA A 120 -6.796 -5.294 0.710 1.00 0.00 O ATOM 1881 CB ALA A 120 -4.401 -6.994 0.418 1.00 0.00 C ATOM 0 H ALA A 120 -4.295 -7.610 -2.020 1.00 0.00 H new ATOM 0 HA ALA A 120 -6.327 -7.799 -0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.690 -6.790 1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.902 -7.962 0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.721 -6.216 0.071 1.00 0.00 H new ATOM 1887 N PHE A 121 -6.439 -4.886 -1.425 1.00 0.00 N ATOM 1888 CA PHE A 121 -7.141 -3.556 -1.369 1.00 0.00 C ATOM 1889 C PHE A 121 -8.500 -3.663 -2.105 1.00 0.00 C ATOM 1890 O PHE A 121 -9.424 -2.934 -1.810 1.00 0.00 O ATOM 1891 CB PHE A 121 -6.245 -2.481 -2.019 1.00 0.00 C ATOM 1892 CG PHE A 121 -6.353 -1.154 -1.293 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -7.476 -0.344 -1.477 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -5.317 -0.731 -0.446 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -7.568 0.886 -0.816 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -5.409 0.497 0.215 1.00 0.00 C ATOM 1897 CZ PHE A 121 -6.534 1.307 0.031 1.00 0.00 C ATOM 0 H PHE A 121 -6.062 -5.131 -2.340 1.00 0.00 H new ATOM 0 HA PHE A 121 -7.329 -3.272 -0.334 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -5.208 -2.817 -2.012 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -6.531 -2.350 -3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.274 -0.667 -2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -4.447 -1.355 -0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.437 1.511 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.612 0.820 0.868 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.606 2.256 0.541 1.00 0.00 H new ATOM 1907 N ALA A 122 -8.642 -4.571 -3.044 1.00 0.00 N ATOM 1908 CA ALA A 122 -9.959 -4.720 -3.770 1.00 0.00 C ATOM 1909 C ALA A 122 -10.755 -5.866 -3.161 1.00 0.00 C ATOM 1910 O ALA A 122 -11.969 -5.862 -3.210 1.00 0.00 O ATOM 1911 CB ALA A 122 -9.741 -4.961 -5.271 1.00 0.00 C ATOM 0 H ALA A 122 -7.910 -5.215 -3.342 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.520 -3.792 -3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -10.706 -5.064 -5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -9.201 -4.117 -5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.161 -5.873 -5.413 1.00 0.00 H new ATOM 1917 N ALA A 123 -10.128 -6.802 -2.536 1.00 0.00 N ATOM 1918 CA ALA A 123 -10.914 -7.875 -1.877 1.00 0.00 C ATOM 1919 C ALA A 123 -11.190 -7.387 -0.460 1.00 0.00 C ATOM 1920 O ALA A 123 -11.447 -8.152 0.434 1.00 0.00 O ATOM 1921 CB ALA A 123 -10.093 -9.166 -1.832 1.00 0.00 C ATOM 0 H ALA A 123 -9.115 -6.878 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 123 -11.838 -8.084 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -10.674 -9.950 -1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -9.844 -9.474 -2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -9.175 -8.994 -1.269 1.00 0.00 H new ATOM 1927 N LEU A 124 -11.066 -6.106 -0.236 1.00 0.00 N ATOM 1928 CA LEU A 124 -11.238 -5.591 1.146 1.00 0.00 C ATOM 1929 C LEU A 124 -12.671 -5.877 1.690 1.00 0.00 C ATOM 1930 O LEU A 124 -12.812 -6.460 2.738 1.00 0.00 O ATOM 1931 CB LEU A 124 -10.911 -4.079 1.174 1.00 0.00 C ATOM 1932 CG LEU A 124 -9.461 -3.821 1.644 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -9.091 -2.358 1.381 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -9.298 -4.115 3.145 1.00 0.00 C ATOM 0 H LEU A 124 -10.855 -5.403 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 124 -10.546 -6.114 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.053 -3.657 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -11.607 -3.568 1.839 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.803 -4.487 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -8.069 -2.176 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -9.169 -2.149 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.771 -1.706 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -8.267 -3.924 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.967 -3.471 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.544 -5.159 3.340 1.00 0.00 H new ATOM 1946 N PRO A 125 -13.716 -5.437 0.989 1.00 0.00 N ATOM 1947 CA PRO A 125 -15.099 -5.660 1.475 1.00 0.00 C ATOM 1948 C PRO A 125 -15.315 -7.148 1.729 1.00 0.00 C ATOM 1949 O PRO A 125 -15.589 -7.553 2.843 1.00 0.00 O ATOM 1950 CB PRO A 125 -16.012 -5.073 0.371 1.00 0.00 C ATOM 1951 CG PRO A 125 -15.091 -4.652 -0.809 1.00 0.00 C ATOM 1952 CD PRO A 125 -13.634 -4.702 -0.298 1.00 0.00 C ATOM 0 HA PRO A 125 -15.318 -5.175 2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.744 -5.811 0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -16.570 -4.216 0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -15.223 -5.323 -1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -15.343 -3.649 -1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.982 -5.214 -1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.228 -3.700 -0.158 1.00 0.00 H new ATOM 1960 N GLY A 126 -15.177 -7.974 0.735 1.00 0.00 N ATOM 1961 CA GLY A 126 -15.357 -9.438 0.971 1.00 0.00 C ATOM 1962 C GLY A 126 -14.024 -10.050 1.419 1.00 0.00 C ATOM 1963 O GLY A 126 -13.510 -10.977 0.826 1.00 0.00 O ATOM 0 H GLY A 126 -14.950 -7.708 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -16.120 -9.604 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -15.705 -9.924 0.060 1.00 0.00 H new ATOM 1967 N SER A 127 -13.531 -9.539 2.529 1.00 0.00 N ATOM 1968 CA SER A 127 -12.274 -10.027 3.186 1.00 0.00 C ATOM 1969 C SER A 127 -11.611 -8.822 3.862 1.00 0.00 C ATOM 1970 O SER A 127 -11.231 -7.876 3.215 1.00 0.00 O ATOM 1971 CB SER A 127 -11.322 -10.689 2.182 1.00 0.00 C ATOM 1972 OG SER A 127 -11.678 -12.058 2.038 1.00 0.00 O ATOM 0 H SER A 127 -13.974 -8.766 3.026 1.00 0.00 H new ATOM 0 HA SER A 127 -12.517 -10.794 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.379 -10.182 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 127 -10.292 -10.602 2.527 1.00 0.00 H new ATOM 0 HG SER A 127 -12.509 -12.128 1.523 1.00 0.00 H new ATOM 1978 N ALA A 128 -11.414 -8.878 5.151 1.00 0.00 N ATOM 1979 CA ALA A 128 -10.743 -7.749 5.870 1.00 0.00 C ATOM 1980 C ALA A 128 -11.331 -6.386 5.444 1.00 0.00 C ATOM 1981 O ALA A 128 -10.980 -5.882 4.412 1.00 0.00 O ATOM 1982 CB ALA A 128 -9.247 -7.776 5.537 1.00 0.00 C ATOM 0 H ALA A 128 -11.690 -9.661 5.744 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.905 -7.871 6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -8.744 -6.959 6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -8.820 -8.726 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -9.112 -7.663 4.461 1.00 0.00 H new ATOM 1988 N LYS A 129 -12.185 -5.774 6.260 1.00 0.00 N ATOM 1989 CA LYS A 129 -12.766 -4.407 5.923 1.00 0.00 C ATOM 1990 C LYS A 129 -13.998 -4.099 6.785 1.00 0.00 C ATOM 1991 O LYS A 129 -15.058 -4.657 6.576 1.00 0.00 O ATOM 1992 CB LYS A 129 -13.226 -4.316 4.453 1.00 0.00 C ATOM 1993 CG LYS A 129 -13.892 -2.946 4.186 1.00 0.00 C ATOM 1994 CD LYS A 129 -14.130 -2.715 2.669 1.00 0.00 C ATOM 1995 CE LYS A 129 -13.399 -1.464 2.174 1.00 0.00 C ATOM 1996 NZ LYS A 129 -13.429 -1.427 0.683 1.00 0.00 N ATOM 0 H LYS A 129 -12.506 -6.163 7.147 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.963 -3.695 6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -12.373 -4.449 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -13.929 -5.119 4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -14.843 -2.893 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -13.261 -2.150 4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -13.787 -3.585 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -15.198 -2.614 2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -13.871 -0.569 2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -12.368 -1.469 2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -13.420 -0.438 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -12.595 -1.921 0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -14.293 -1.895 0.341 1.00 0.00 H new ATOM 2010 N ASP A 130 -13.895 -3.179 7.714 1.00 0.00 N ATOM 2011 CA ASP A 130 -15.080 -2.800 8.534 1.00 0.00 C ATOM 2012 C ASP A 130 -16.210 -2.256 7.626 1.00 0.00 C ATOM 2013 O ASP A 130 -17.320 -2.743 7.708 1.00 0.00 O ATOM 2014 CB ASP A 130 -14.656 -1.733 9.576 1.00 0.00 C ATOM 2015 CG ASP A 130 -14.639 -2.332 10.991 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -13.717 -3.074 11.289 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -15.546 -2.034 11.749 1.00 0.00 O ATOM 0 H ASP A 130 -13.037 -2.675 7.937 1.00 0.00 H new ATOM 0 HA ASP A 130 -15.460 -3.679 9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -13.667 -1.347 9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -15.345 -0.889 9.541 1.00 0.00 H new ATOM 2022 N PRO A 131 -15.901 -1.270 6.792 1.00 0.00 N ATOM 2023 CA PRO A 131 -16.875 -0.666 5.852 1.00 0.00 C ATOM 2024 C PRO A 131 -17.895 -1.679 5.319 1.00 0.00 C ATOM 2025 O PRO A 131 -18.891 -1.307 4.747 1.00 0.00 O ATOM 2026 CB PRO A 131 -15.978 -0.126 4.735 1.00 0.00 C ATOM 2027 CG PRO A 131 -14.648 0.232 5.435 1.00 0.00 C ATOM 2028 CD PRO A 131 -14.565 -0.642 6.709 1.00 0.00 C ATOM 0 HA PRO A 131 -17.492 0.098 6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -15.826 -0.872 3.955 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -16.422 0.748 4.259 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -13.801 0.038 4.777 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -14.618 1.291 5.690 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -13.776 -1.389 6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -14.349 -0.042 7.593 1.00 0.00 H new