USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 915 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 31 ASN : amide:sc= -2.22! C(o=-1.6!,f=-3.3!) USER MOD Set 1.2: A 106 TYR OH : rot 10:sc= 0.617 USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 1.16 (180deg=1.12) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.17 F(o=-3.5!,f=-1.2) USER MOD Single : A 23 GLN :FLIP amide:sc= -5.27! C(o=-6.4!,f=-5.3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc=-0.00416 F(o=-1.3,f=-0.0042) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -2.39! USER MOD Single : A 41 SER OG : rot -39:sc= 0.628 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -103:sc= -1.53 (180deg=-3.5!) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= 0.562 (180deg=0.289) USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= 1.25 (180deg=0.693) USER MOD Single : A 57 TYR OH : rot -145:sc= 1.07 USER MOD Single : A 58 MET CE :methyl 166:sc= -1.38 (180deg=-2.46!) USER MOD Single : A 63 ASN : amide:sc= 1.27 K(o=1.3,f=-0.028) USER MOD Single : A 65 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.091) USER MOD Single : A 71 MET CE :methyl -136:sc= -0.471 (180deg=-1.96!) USER MOD Single : A 72 SER OG : rot 131:sc= 1.27 USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= 1.12 (180deg=1.09) USER MOD Single : A 76 MET CE :methyl -126:sc= -0.328 (180deg=-2.42) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= -0.0126 (180deg=-0.175) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -173:sc=-0.000144 (180deg=-0.0631) USER MOD Single : A 97 SER OG : rot -81:sc= 1.96 USER MOD Single : A 98 SER OG : rot 13:sc= 0.709 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -162:sc= -2.26! (180deg=-3.13) USER MOD Single : A 113 MET CE :methyl 163:sc= -0.123 (180deg=-0.574) USER MOD Single : A 116 LYS NZ :NH3+ -162:sc= -0.099 (180deg=-0.447) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -107:sc= 0.621 (180deg=-0.00456) USER MOD Single : A 123 MET CE :methyl -168:sc= -0.0349 (180deg=-0.257) USER MOD Single : A 126 MET CE :methyl -163:sc= -0.102 (180deg=-0.72) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 245 N LEU A 18 10.793 4.487 -8.803 1.00 63.33 N ATOM 246 CA LEU A 18 11.506 3.527 -9.634 1.00 10.53 C ATOM 247 C LEU A 18 10.790 2.164 -9.551 1.00 75.42 C ATOM 248 O LEU A 18 10.647 1.451 -10.554 1.00 4.42 O ATOM 249 CB LEU A 18 12.981 3.439 -9.145 1.00 52.22 C ATOM 250 CG LEU A 18 14.047 2.799 -10.080 1.00 41.03 C ATOM 251 CD1 LEU A 18 13.804 1.323 -10.353 1.00 51.33 C ATOM 252 CD2 LEU A 18 14.139 3.582 -11.380 1.00 42.02 C ATOM 0 HA LEU A 18 11.513 3.840 -10.678 1.00 10.53 H new ATOM 0 HB2 LEU A 18 13.312 4.451 -8.913 1.00 52.22 H new ATOM 0 HB3 LEU A 18 12.985 2.880 -8.209 1.00 52.22 H new ATOM 0 HG LEU A 18 15.000 2.853 -9.553 1.00 41.03 H new ATOM 0 HD11 LEU A 18 14.584 0.941 -11.011 1.00 51.33 H new ATOM 0 HD12 LEU A 18 13.821 0.772 -9.413 1.00 51.33 H new ATOM 0 HD13 LEU A 18 12.832 1.196 -10.831 1.00 51.33 H new ATOM 0 HD21 LEU A 18 14.888 3.126 -12.027 1.00 42.02 H new ATOM 0 HD22 LEU A 18 13.171 3.571 -11.881 1.00 42.02 H new ATOM 0 HD23 LEU A 18 14.424 4.612 -11.165 1.00 42.02 H new ATOM 264 N LEU A 19 10.301 1.842 -8.361 1.00 42.15 N ATOM 265 CA LEU A 19 9.594 0.590 -8.113 1.00 22.55 C ATOM 266 C LEU A 19 8.338 0.437 -8.969 1.00 11.54 C ATOM 267 O LEU A 19 7.953 -0.676 -9.301 1.00 24.53 O ATOM 268 CB LEU A 19 9.249 0.439 -6.641 1.00 64.14 C ATOM 269 CG LEU A 19 10.429 0.262 -5.678 1.00 74.30 C ATOM 270 CD1 LEU A 19 9.950 0.323 -4.248 1.00 44.41 C ATOM 271 CD2 LEU A 19 11.102 -1.076 -5.922 1.00 41.44 C ATOM 0 H LEU A 19 10.383 2.441 -7.539 1.00 42.15 H new ATOM 0 HA LEU A 19 10.278 -0.208 -8.402 1.00 22.55 H new ATOM 0 HB2 LEU A 19 8.684 1.318 -6.331 1.00 64.14 H new ATOM 0 HB3 LEU A 19 8.587 -0.420 -6.532 1.00 64.14 H new ATOM 0 HG LEU A 19 11.143 1.067 -5.854 1.00 74.30 H new ATOM 0 HD11 LEU A 19 10.798 0.196 -3.575 1.00 44.41 H new ATOM 0 HD12 LEU A 19 9.481 1.289 -4.062 1.00 44.41 H new ATOM 0 HD13 LEU A 19 9.225 -0.472 -4.073 1.00 44.41 H new ATOM 0 HD21 LEU A 19 11.939 -1.193 -5.234 1.00 41.44 H new ATOM 0 HD22 LEU A 19 10.384 -1.880 -5.760 1.00 41.44 H new ATOM 0 HD23 LEU A 19 11.468 -1.118 -6.948 1.00 41.44 H new ATOM 283 N LYS A 20 7.718 1.552 -9.355 1.00 25.24 N ATOM 284 CA LYS A 20 6.507 1.501 -10.180 1.00 11.52 C ATOM 285 C LYS A 20 6.737 0.736 -11.480 1.00 12.24 C ATOM 286 O LYS A 20 5.908 -0.054 -11.882 1.00 62.13 O ATOM 287 CB LYS A 20 5.972 2.898 -10.516 1.00 2.02 C ATOM 288 CG LYS A 20 5.329 3.681 -9.372 1.00 53.04 C ATOM 289 CD LYS A 20 4.100 2.963 -8.801 1.00 3.00 C ATOM 290 CE LYS A 20 3.076 2.571 -9.886 1.00 33.05 C ATOM 291 NZ LYS A 20 2.560 3.713 -10.681 1.00 30.31 N ATOM 0 H LYS A 20 8.029 2.493 -9.114 1.00 25.24 H new ATOM 0 HA LYS A 20 5.765 0.975 -9.579 1.00 11.52 H new ATOM 0 HB2 LYS A 20 6.796 3.491 -10.913 1.00 2.02 H new ATOM 0 HB3 LYS A 20 5.237 2.798 -11.315 1.00 2.02 H new ATOM 0 HG2 LYS A 20 6.062 3.831 -8.579 1.00 53.04 H new ATOM 0 HG3 LYS A 20 5.038 4.669 -9.728 1.00 53.04 H new ATOM 0 HD2 LYS A 20 4.423 2.066 -8.272 1.00 3.00 H new ATOM 0 HD3 LYS A 20 3.616 3.609 -8.068 1.00 3.00 H new ATOM 0 HE2 LYS A 20 3.538 1.852 -10.562 1.00 33.05 H new ATOM 0 HE3 LYS A 20 2.236 2.066 -9.410 1.00 33.05 H new ATOM 0 HZ1 LYS A 20 1.905 3.362 -11.408 1.00 30.31 H new ATOM 0 HZ2 LYS A 20 2.059 4.374 -10.054 1.00 30.31 H new ATOM 0 HZ3 LYS A 20 3.354 4.204 -11.139 1.00 30.31 H new ATOM 305 N ALA A 21 7.889 0.946 -12.097 1.00 14.52 N ATOM 306 CA ALA A 21 8.196 0.320 -13.385 1.00 21.23 C ATOM 307 C ALA A 21 8.385 -1.172 -13.220 1.00 52.13 C ATOM 308 O ALA A 21 8.084 -1.962 -14.117 1.00 30.21 O ATOM 309 CB ALA A 21 9.439 0.942 -13.995 1.00 51.41 C ATOM 0 H ALA A 21 8.630 1.544 -11.732 1.00 14.52 H new ATOM 0 HA ALA A 21 7.355 0.491 -14.057 1.00 21.23 H new ATOM 0 HB1 ALA A 21 9.653 0.465 -14.952 1.00 51.41 H new ATOM 0 HB2 ALA A 21 9.274 2.008 -14.150 1.00 51.41 H new ATOM 0 HB3 ALA A 21 10.285 0.800 -13.322 1.00 51.41 H new ATOM 315 N GLN A 22 8.880 -1.545 -12.074 1.00 34.04 N ATOM 316 CA GLN A 22 9.113 -2.928 -11.743 1.00 72.42 C ATOM 317 C GLN A 22 7.807 -3.636 -11.373 1.00 65.01 C ATOM 318 O GLN A 22 7.496 -4.709 -11.889 1.00 24.15 O ATOM 319 CB GLN A 22 10.108 -3.033 -10.576 1.00 22.44 C ATOM 320 CG GLN A 22 11.459 -2.396 -10.858 1.00 70.33 C ATOM 321 CD GLN A 22 12.437 -2.537 -9.705 1.00 40.34 C ATOM 322 OE1 GLN A 22 12.487 -1.553 -8.851 1.00 52.43 O flip ATOM 323 NE2 GLN A 22 13.167 -3.516 -9.613 1.00 10.35 N flip ATOM 0 H GLN A 22 9.137 -0.893 -11.333 1.00 34.04 H new ATOM 0 HA GLN A 22 9.532 -3.417 -12.622 1.00 72.42 H new ATOM 0 HB2 GLN A 22 9.671 -2.561 -9.696 1.00 22.44 H new ATOM 0 HB3 GLN A 22 10.257 -4.085 -10.332 1.00 22.44 H new ATOM 0 HG2 GLN A 22 11.890 -2.852 -11.750 1.00 70.33 H new ATOM 0 HG3 GLN A 22 11.316 -1.338 -11.078 1.00 70.33 H new ATOM 0 HE21 GLN A 22 13.101 -4.268 -10.299 1.00 10.35 H new ATOM 0 HE22 GLN A 22 13.841 -3.580 -8.850 1.00 10.35 H new ATOM 332 N GLN A 23 7.053 -3.009 -10.495 1.00 34.43 N ATOM 333 CA GLN A 23 5.882 -3.617 -9.886 1.00 35.42 C ATOM 334 C GLN A 23 4.585 -3.505 -10.681 1.00 70.15 C ATOM 335 O GLN A 23 3.800 -4.438 -10.672 1.00 1.45 O ATOM 336 CB GLN A 23 5.632 -3.011 -8.523 1.00 22.13 C ATOM 337 CG GLN A 23 6.786 -3.114 -7.553 1.00 15.30 C ATOM 338 CD GLN A 23 6.450 -2.508 -6.225 1.00 51.53 C ATOM 339 OE1 GLN A 23 5.199 -2.550 -5.869 1.00 4.34 O flip ATOM 340 NE2 GLN A 23 7.309 -2.008 -5.527 1.00 22.20 N flip ATOM 0 H GLN A 23 7.234 -2.056 -10.179 1.00 34.43 H new ATOM 0 HA GLN A 23 6.131 -4.677 -9.840 1.00 35.42 H new ATOM 0 HB2 GLN A 23 5.379 -1.959 -8.652 1.00 22.13 H new ATOM 0 HB3 GLN A 23 4.762 -3.496 -8.081 1.00 22.13 H new ATOM 0 HG2 GLN A 23 7.055 -4.162 -7.417 1.00 15.30 H new ATOM 0 HG3 GLN A 23 7.659 -2.613 -7.971 1.00 15.30 H new ATOM 0 HE21 GLN A 23 8.279 -1.995 -5.842 1.00 22.20 H new ATOM 0 HE22 GLN A 23 7.060 -1.601 -4.625 1.00 22.20 H new ATOM 349 N GLU A 24 4.352 -2.379 -11.354 1.00 21.33 N ATOM 350 CA GLU A 24 3.019 -2.094 -11.929 1.00 0.04 C ATOM 351 C GLU A 24 2.530 -3.150 -12.928 1.00 12.41 C ATOM 352 O GLU A 24 1.343 -3.491 -12.941 1.00 64.20 O ATOM 353 CB GLU A 24 2.938 -0.681 -12.500 1.00 72.24 C ATOM 354 CG GLU A 24 1.539 -0.269 -12.901 1.00 73.02 C ATOM 355 CD GLU A 24 1.468 1.144 -13.398 1.00 3.21 C ATOM 356 OE1 GLU A 24 1.533 2.074 -12.572 1.00 45.21 O ATOM 357 OE2 GLU A 24 1.354 1.330 -14.627 1.00 72.05 O ATOM 0 H GLU A 24 5.050 -1.654 -11.518 1.00 21.33 H new ATOM 0 HA GLU A 24 2.323 -2.153 -11.092 1.00 0.04 H new ATOM 0 HB2 GLU A 24 3.317 0.023 -11.759 1.00 72.24 H new ATOM 0 HB3 GLU A 24 3.591 -0.612 -13.370 1.00 72.24 H new ATOM 0 HG2 GLU A 24 1.176 -0.941 -13.679 1.00 73.02 H new ATOM 0 HG3 GLU A 24 0.873 -0.382 -12.046 1.00 73.02 H new ATOM 364 N GLU A 25 3.440 -3.680 -13.717 1.00 1.03 N ATOM 365 CA GLU A 25 3.127 -4.719 -14.694 1.00 43.22 C ATOM 366 C GLU A 25 2.554 -5.934 -13.938 1.00 21.15 C ATOM 367 O GLU A 25 1.533 -6.511 -14.333 1.00 12.44 O ATOM 368 CB GLU A 25 4.431 -5.077 -15.445 1.00 31.14 C ATOM 369 CG GLU A 25 4.302 -5.842 -16.777 1.00 2.12 C ATOM 370 CD GLU A 25 3.754 -7.238 -16.674 1.00 64.11 C ATOM 371 OE1 GLU A 25 4.493 -8.138 -16.216 1.00 12.12 O ATOM 372 OE2 GLU A 25 2.602 -7.468 -17.103 1.00 64.12 O ATOM 0 H GLU A 25 4.423 -3.407 -13.704 1.00 1.03 H new ATOM 0 HA GLU A 25 2.387 -4.386 -15.422 1.00 43.22 H new ATOM 0 HB2 GLU A 25 4.971 -4.150 -15.641 1.00 31.14 H new ATOM 0 HB3 GLU A 25 5.052 -5.672 -14.775 1.00 31.14 H new ATOM 0 HG2 GLU A 25 3.660 -5.267 -17.445 1.00 2.12 H new ATOM 0 HG3 GLU A 25 5.286 -5.891 -17.244 1.00 2.12 H new ATOM 379 N ARG A 26 3.182 -6.257 -12.809 1.00 23.42 N ATOM 380 CA ARG A 26 2.748 -7.358 -11.978 1.00 35.24 C ATOM 381 C ARG A 26 1.470 -6.988 -11.218 1.00 10.33 C ATOM 382 O ARG A 26 0.593 -7.800 -11.046 1.00 11.50 O ATOM 383 CB ARG A 26 3.853 -7.787 -11.003 1.00 4.42 C ATOM 384 CG ARG A 26 3.460 -8.959 -10.112 1.00 10.31 C ATOM 385 CD ARG A 26 4.609 -9.413 -9.231 1.00 33.33 C ATOM 386 NE ARG A 26 5.769 -9.813 -10.033 1.00 53.20 N ATOM 387 CZ ARG A 26 6.209 -11.065 -10.184 1.00 35.53 C ATOM 388 NH1 ARG A 26 5.621 -12.073 -9.546 1.00 40.02 N ATOM 389 NH2 ARG A 26 7.248 -11.307 -10.967 1.00 3.33 N ATOM 0 H ARG A 26 4.000 -5.761 -12.454 1.00 23.42 H new ATOM 0 HA ARG A 26 2.530 -8.204 -12.629 1.00 35.24 H new ATOM 0 HB2 ARG A 26 4.743 -8.056 -11.572 1.00 4.42 H new ATOM 0 HB3 ARG A 26 4.121 -6.938 -10.375 1.00 4.42 H new ATOM 0 HG2 ARG A 26 2.615 -8.671 -9.486 1.00 10.31 H new ATOM 0 HG3 ARG A 26 3.128 -9.791 -10.733 1.00 10.31 H new ATOM 0 HD2 ARG A 26 4.892 -8.606 -8.555 1.00 33.33 H new ATOM 0 HD3 ARG A 26 4.286 -10.250 -8.611 1.00 33.33 H new ATOM 0 HE ARG A 26 6.282 -9.075 -10.515 1.00 53.20 H new ATOM 0 HH11 ARG A 26 4.825 -11.894 -8.934 1.00 40.02 H new ATOM 0 HH12 ARG A 26 5.966 -13.025 -9.669 1.00 40.02 H new ATOM 0 HH21 ARG A 26 7.710 -10.539 -11.453 1.00 3.33 H new ATOM 0 HH22 ARG A 26 7.587 -12.262 -11.084 1.00 3.33 H new ATOM 403 N LEU A 27 1.376 -5.749 -10.786 1.00 32.31 N ATOM 404 CA LEU A 27 0.189 -5.272 -10.074 1.00 10.04 C ATOM 405 C LEU A 27 -1.047 -5.424 -10.927 1.00 22.23 C ATOM 406 O LEU A 27 -2.083 -5.892 -10.470 1.00 62.11 O ATOM 407 CB LEU A 27 0.353 -3.798 -9.662 1.00 34.50 C ATOM 408 CG LEU A 27 1.423 -3.512 -8.615 1.00 30.54 C ATOM 409 CD1 LEU A 27 1.551 -2.016 -8.376 1.00 12.24 C ATOM 410 CD2 LEU A 27 1.046 -4.191 -7.330 1.00 73.45 C ATOM 0 H LEU A 27 2.104 -5.045 -10.911 1.00 32.31 H new ATOM 0 HA LEU A 27 0.076 -5.880 -9.176 1.00 10.04 H new ATOM 0 HB2 LEU A 27 0.581 -3.215 -10.554 1.00 34.50 H new ATOM 0 HB3 LEU A 27 -0.604 -3.439 -9.283 1.00 34.50 H new ATOM 0 HG LEU A 27 2.380 -3.891 -8.974 1.00 30.54 H new ATOM 0 HD11 LEU A 27 2.320 -1.832 -7.625 1.00 12.24 H new ATOM 0 HD12 LEU A 27 1.827 -1.521 -9.307 1.00 12.24 H new ATOM 0 HD13 LEU A 27 0.598 -1.621 -8.024 1.00 12.24 H new ATOM 0 HD21 LEU A 27 1.807 -3.991 -6.576 1.00 73.45 H new ATOM 0 HD22 LEU A 27 0.085 -3.810 -6.985 1.00 73.45 H new ATOM 0 HD23 LEU A 27 0.972 -5.266 -7.495 1.00 73.45 H new ATOM 422 N ASP A 28 -0.914 -5.066 -12.171 1.00 53.22 N ATOM 423 CA ASP A 28 -2.035 -5.071 -13.059 1.00 21.15 C ATOM 424 C ASP A 28 -2.359 -6.490 -13.567 1.00 70.33 C ATOM 425 O ASP A 28 -3.493 -6.764 -13.957 1.00 50.35 O ATOM 426 CB ASP A 28 -1.799 -4.088 -14.205 1.00 75.14 C ATOM 427 CG ASP A 28 -3.038 -3.820 -15.009 1.00 75.43 C ATOM 428 OD1 ASP A 28 -3.927 -3.083 -14.506 1.00 33.23 O ATOM 429 OD2 ASP A 28 -3.149 -4.310 -16.127 1.00 13.13 O ATOM 0 H ASP A 28 -0.035 -4.766 -12.593 1.00 53.22 H new ATOM 0 HA ASP A 28 -2.914 -4.741 -12.506 1.00 21.15 H new ATOM 0 HB2 ASP A 28 -1.425 -3.148 -13.799 1.00 75.14 H new ATOM 0 HB3 ASP A 28 -1.024 -4.483 -14.862 1.00 75.14 H new ATOM 434 N GLU A 29 -1.373 -7.416 -13.520 1.00 10.12 N ATOM 435 CA GLU A 29 -1.638 -8.799 -13.990 1.00 65.22 C ATOM 436 C GLU A 29 -2.491 -9.517 -12.966 1.00 32.13 C ATOM 437 O GLU A 29 -3.353 -10.330 -13.307 1.00 23.05 O ATOM 438 CB GLU A 29 -0.353 -9.629 -14.256 1.00 34.11 C ATOM 439 CG GLU A 29 0.435 -9.968 -13.008 1.00 23.24 C ATOM 440 CD GLU A 29 1.616 -10.853 -13.249 1.00 24.45 C ATOM 441 OE1 GLU A 29 2.633 -10.372 -13.745 1.00 32.35 O ATOM 442 OE2 GLU A 29 1.548 -12.050 -12.917 1.00 10.44 O ATOM 0 H GLU A 29 -0.427 -7.245 -13.178 1.00 10.12 H new ATOM 0 HA GLU A 29 -2.153 -8.709 -14.946 1.00 65.22 H new ATOM 0 HB2 GLU A 29 -0.630 -10.555 -14.760 1.00 34.11 H new ATOM 0 HB3 GLU A 29 0.290 -9.074 -14.939 1.00 34.11 H new ATOM 0 HG2 GLU A 29 0.777 -9.042 -12.546 1.00 23.24 H new ATOM 0 HG3 GLU A 29 -0.229 -10.454 -12.294 1.00 23.24 H new ATOM 449 N ILE A 30 -2.258 -9.179 -11.706 1.00 12.42 N ATOM 450 CA ILE A 30 -2.941 -9.776 -10.589 1.00 71.45 C ATOM 451 C ILE A 30 -4.455 -9.563 -10.699 1.00 34.22 C ATOM 452 O ILE A 30 -5.233 -10.489 -10.475 1.00 22.20 O ATOM 453 CB ILE A 30 -2.368 -9.234 -9.245 1.00 11.35 C ATOM 454 CG1 ILE A 30 -0.882 -9.609 -9.121 1.00 2.43 C ATOM 455 CG2 ILE A 30 -3.135 -9.759 -8.057 1.00 33.42 C ATOM 456 CD1 ILE A 30 -0.204 -9.097 -7.859 1.00 74.41 C ATOM 0 H ILE A 30 -1.576 -8.470 -11.437 1.00 12.42 H new ATOM 0 HA ILE A 30 -2.768 -10.852 -10.606 1.00 71.45 H new ATOM 0 HB ILE A 30 -2.472 -8.149 -9.252 1.00 11.35 H new ATOM 0 HG12 ILE A 30 -0.791 -10.695 -9.152 1.00 2.43 H new ATOM 0 HG13 ILE A 30 -0.349 -9.219 -9.988 1.00 2.43 H new ATOM 0 HG21 ILE A 30 -2.704 -9.358 -7.140 1.00 33.42 H new ATOM 0 HG22 ILE A 30 -4.178 -9.452 -8.133 1.00 33.42 H new ATOM 0 HG23 ILE A 30 -3.078 -10.847 -8.039 1.00 33.42 H new ATOM 0 HD11 ILE A 30 0.841 -9.408 -7.855 1.00 74.41 H new ATOM 0 HD12 ILE A 30 -0.259 -8.009 -7.833 1.00 74.41 H new ATOM 0 HD13 ILE A 30 -0.708 -9.507 -6.984 1.00 74.41 H new ATOM 468 N ASN A 31 -4.846 -8.369 -11.106 1.00 51.40 N ATOM 469 CA ASN A 31 -6.268 -8.024 -11.298 1.00 61.10 C ATOM 470 C ASN A 31 -6.896 -8.930 -12.343 1.00 14.13 C ATOM 471 O ASN A 31 -7.962 -9.507 -12.130 1.00 73.32 O ATOM 472 CB ASN A 31 -6.413 -6.574 -11.762 1.00 53.44 C ATOM 473 CG ASN A 31 -5.854 -5.574 -10.785 1.00 53.54 C ATOM 474 OD1 ASN A 31 -5.858 -5.788 -9.578 1.00 41.11 O ATOM 475 ND2 ASN A 31 -5.367 -4.479 -11.296 1.00 63.34 N ATOM 0 H ASN A 31 -4.202 -7.606 -11.315 1.00 51.40 H new ATOM 0 HA ASN A 31 -6.774 -8.155 -10.341 1.00 61.10 H new ATOM 0 HB2 ASN A 31 -5.908 -6.455 -12.721 1.00 53.44 H new ATOM 0 HB3 ASN A 31 -7.468 -6.357 -11.928 1.00 53.44 H new ATOM 0 HD21 ASN A 31 -4.971 -3.764 -10.686 1.00 63.34 H new ATOM 0 HD22 ASN A 31 -5.382 -4.337 -12.306 1.00 63.34 H new ATOM 482 N LYS A 32 -6.204 -9.062 -13.464 1.00 0.14 N ATOM 483 CA LYS A 32 -6.652 -9.874 -14.600 1.00 75.11 C ATOM 484 C LYS A 32 -6.795 -11.332 -14.181 1.00 10.11 C ATOM 485 O LYS A 32 -7.775 -12.001 -14.498 1.00 33.14 O ATOM 486 CB LYS A 32 -5.616 -9.775 -15.711 1.00 23.12 C ATOM 487 CG LYS A 32 -5.330 -8.360 -16.150 1.00 72.23 C ATOM 488 CD LYS A 32 -4.198 -8.317 -17.151 1.00 22.44 C ATOM 489 CE LYS A 32 -3.886 -6.894 -17.547 1.00 14.43 C ATOM 490 NZ LYS A 32 -2.760 -6.812 -18.487 1.00 2.22 N ATOM 0 H LYS A 32 -5.305 -8.606 -13.619 1.00 0.14 H new ATOM 0 HA LYS A 32 -7.618 -9.508 -14.946 1.00 75.11 H new ATOM 0 HB2 LYS A 32 -4.688 -10.235 -15.372 1.00 23.12 H new ATOM 0 HB3 LYS A 32 -5.962 -10.350 -16.570 1.00 23.12 H new ATOM 0 HG2 LYS A 32 -6.227 -7.925 -16.592 1.00 72.23 H new ATOM 0 HG3 LYS A 32 -5.075 -7.752 -15.282 1.00 72.23 H new ATOM 0 HD2 LYS A 32 -3.310 -8.783 -16.723 1.00 22.44 H new ATOM 0 HD3 LYS A 32 -4.467 -8.895 -18.035 1.00 22.44 H new ATOM 0 HE2 LYS A 32 -4.769 -6.443 -18.001 1.00 14.43 H new ATOM 0 HE3 LYS A 32 -3.654 -6.313 -16.654 1.00 14.43 H new ATOM 0 HZ1 LYS A 32 -2.583 -5.817 -18.730 1.00 2.22 H new ATOM 0 HZ2 LYS A 32 -1.910 -7.218 -18.046 1.00 2.22 H new ATOM 0 HZ3 LYS A 32 -2.989 -7.344 -19.351 1.00 2.22 H new ATOM 504 N GLN A 33 -5.815 -11.801 -13.452 1.00 71.41 N ATOM 505 CA GLN A 33 -5.785 -13.162 -12.966 1.00 44.44 C ATOM 506 C GLN A 33 -6.920 -13.449 -11.976 1.00 22.24 C ATOM 507 O GLN A 33 -7.434 -14.571 -11.921 1.00 75.33 O ATOM 508 CB GLN A 33 -4.396 -13.485 -12.427 1.00 72.43 C ATOM 509 CG GLN A 33 -3.362 -13.509 -13.555 1.00 11.14 C ATOM 510 CD GLN A 33 -1.920 -13.598 -13.108 1.00 64.22 C ATOM 511 OE1 GLN A 33 -1.594 -12.999 -11.994 1.00 44.03 O flip ATOM 512 NE2 GLN A 33 -1.091 -14.179 -13.798 1.00 31.53 N flip ATOM 0 H GLN A 33 -5.006 -11.245 -13.175 1.00 71.41 H new ATOM 0 HA GLN A 33 -5.973 -13.842 -13.797 1.00 44.44 H new ATOM 0 HB2 GLN A 33 -4.109 -12.743 -11.682 1.00 72.43 H new ATOM 0 HB3 GLN A 33 -4.413 -14.452 -11.924 1.00 72.43 H new ATOM 0 HG2 GLN A 33 -3.577 -14.358 -14.205 1.00 11.14 H new ATOM 0 HG3 GLN A 33 -3.484 -12.608 -14.157 1.00 11.14 H new ATOM 0 HE21 GLN A 33 -1.378 -14.637 -14.663 1.00 31.53 H new ATOM 0 HE22 GLN A 33 -0.114 -14.205 -13.508 1.00 31.53 H new ATOM 521 N PHE A 34 -7.305 -12.454 -11.189 1.00 54.10 N ATOM 522 CA PHE A 34 -8.495 -12.584 -10.362 1.00 32.32 C ATOM 523 C PHE A 34 -9.785 -12.506 -11.177 1.00 74.14 C ATOM 524 O PHE A 34 -10.769 -13.150 -10.850 1.00 50.14 O ATOM 525 CB PHE A 34 -8.510 -11.644 -9.154 1.00 75.51 C ATOM 526 CG PHE A 34 -7.593 -12.110 -8.061 1.00 71.44 C ATOM 527 CD1 PHE A 34 -7.975 -13.160 -7.245 1.00 0.11 C ATOM 528 CD2 PHE A 34 -6.360 -11.532 -7.860 1.00 73.41 C ATOM 529 CE1 PHE A 34 -7.148 -13.617 -6.248 1.00 71.45 C ATOM 530 CE2 PHE A 34 -5.524 -11.990 -6.861 1.00 15.13 C ATOM 531 CZ PHE A 34 -5.917 -13.032 -6.056 1.00 74.21 C ATOM 0 H PHE A 34 -6.819 -11.561 -11.106 1.00 54.10 H new ATOM 0 HA PHE A 34 -8.447 -13.590 -9.945 1.00 32.32 H new ATOM 0 HB2 PHE A 34 -8.216 -10.643 -9.471 1.00 75.51 H new ATOM 0 HB3 PHE A 34 -9.526 -11.570 -8.766 1.00 75.51 H new ATOM 0 HD1 PHE A 34 -8.937 -13.627 -7.394 1.00 0.11 H new ATOM 0 HD2 PHE A 34 -6.044 -10.713 -8.489 1.00 73.41 H new ATOM 0 HE1 PHE A 34 -7.463 -14.434 -5.616 1.00 71.45 H new ATOM 0 HE2 PHE A 34 -4.559 -11.528 -6.712 1.00 15.13 H new ATOM 0 HZ PHE A 34 -5.262 -13.391 -5.275 1.00 74.21 H new ATOM 541 N LEU A 35 -9.764 -11.731 -12.247 1.00 53.14 N ATOM 542 CA LEU A 35 -10.928 -11.566 -13.117 1.00 21.12 C ATOM 543 C LEU A 35 -11.276 -12.872 -13.845 1.00 5.20 C ATOM 544 O LEU A 35 -12.435 -13.296 -13.862 1.00 72.43 O ATOM 545 CB LEU A 35 -10.639 -10.489 -14.151 1.00 55.33 C ATOM 546 CG LEU A 35 -11.748 -10.203 -15.155 1.00 5.11 C ATOM 547 CD1 LEU A 35 -12.936 -9.523 -14.497 1.00 4.33 C ATOM 548 CD2 LEU A 35 -11.210 -9.398 -16.306 1.00 24.43 C ATOM 0 H LEU A 35 -8.946 -11.198 -12.541 1.00 53.14 H new ATOM 0 HA LEU A 35 -11.775 -11.281 -12.493 1.00 21.12 H new ATOM 0 HB2 LEU A 35 -10.407 -9.563 -13.625 1.00 55.33 H new ATOM 0 HB3 LEU A 35 -9.744 -10.776 -14.703 1.00 55.33 H new ATOM 0 HG LEU A 35 -12.111 -11.153 -15.546 1.00 5.11 H new ATOM 0 HD11 LEU A 35 -13.707 -9.335 -15.244 1.00 4.33 H new ATOM 0 HD12 LEU A 35 -13.338 -10.168 -13.716 1.00 4.33 H new ATOM 0 HD13 LEU A 35 -12.617 -8.577 -14.058 1.00 4.33 H new ATOM 0 HD21 LEU A 35 -12.012 -9.200 -17.017 1.00 24.43 H new ATOM 0 HD22 LEU A 35 -10.812 -8.454 -15.935 1.00 24.43 H new ATOM 0 HD23 LEU A 35 -10.416 -9.957 -16.801 1.00 24.43 H new ATOM 560 N ASP A 36 -10.258 -13.504 -14.427 1.00 42.23 N ATOM 561 CA ASP A 36 -10.422 -14.763 -15.178 1.00 14.35 C ATOM 562 C ASP A 36 -10.658 -15.937 -14.283 1.00 60.53 C ATOM 563 O ASP A 36 -11.017 -17.025 -14.750 1.00 72.03 O ATOM 564 CB ASP A 36 -9.216 -15.058 -16.077 1.00 32.24 C ATOM 565 CG ASP A 36 -9.176 -14.229 -17.327 1.00 71.35 C ATOM 566 OD1 ASP A 36 -8.655 -13.104 -17.304 1.00 14.32 O ATOM 567 OD2 ASP A 36 -9.658 -14.712 -18.373 1.00 51.23 O ATOM 0 H ASP A 36 -9.296 -13.165 -14.396 1.00 42.23 H new ATOM 0 HA ASP A 36 -11.305 -14.615 -15.800 1.00 14.35 H new ATOM 0 HB2 ASP A 36 -8.301 -14.887 -15.510 1.00 32.24 H new ATOM 0 HB3 ASP A 36 -9.229 -16.113 -16.352 1.00 32.24 H new ATOM 572 N ASP A 37 -10.459 -15.733 -13.017 1.00 10.32 N ATOM 573 CA ASP A 37 -10.608 -16.806 -12.039 1.00 63.21 C ATOM 574 C ASP A 37 -12.081 -17.218 -11.947 1.00 21.01 C ATOM 575 O ASP A 37 -12.960 -16.371 -11.736 1.00 2.30 O ATOM 576 CB ASP A 37 -10.050 -16.379 -10.677 1.00 44.21 C ATOM 577 CG ASP A 37 -10.097 -17.469 -9.622 1.00 1.11 C ATOM 578 OD1 ASP A 37 -11.203 -17.897 -9.218 1.00 61.15 O ATOM 579 OD2 ASP A 37 -9.013 -17.894 -9.165 1.00 62.00 O ATOM 0 H ASP A 37 -10.191 -14.833 -12.619 1.00 10.32 H new ATOM 0 HA ASP A 37 -10.032 -17.673 -12.363 1.00 63.21 H new ATOM 0 HB2 ASP A 37 -9.017 -16.055 -10.804 1.00 44.21 H new ATOM 0 HB3 ASP A 37 -10.613 -15.517 -10.319 1.00 44.21 H new ATOM 584 N PRO A 38 -12.363 -18.527 -12.099 1.00 0.33 N ATOM 585 CA PRO A 38 -13.734 -19.065 -12.179 1.00 51.31 C ATOM 586 C PRO A 38 -14.620 -18.799 -10.948 1.00 11.25 C ATOM 587 O PRO A 38 -15.847 -18.902 -11.038 1.00 25.32 O ATOM 588 CB PRO A 38 -13.533 -20.568 -12.390 1.00 75.32 C ATOM 589 CG PRO A 38 -12.149 -20.842 -11.921 1.00 70.41 C ATOM 590 CD PRO A 38 -11.358 -19.604 -12.203 1.00 12.41 C ATOM 0 HA PRO A 38 -14.278 -18.567 -12.981 1.00 51.31 H new ATOM 0 HB2 PRO A 38 -14.263 -21.147 -11.824 1.00 75.32 H new ATOM 0 HB3 PRO A 38 -13.655 -20.839 -13.439 1.00 75.32 H new ATOM 0 HG2 PRO A 38 -12.138 -21.076 -10.857 1.00 70.41 H new ATOM 0 HG3 PRO A 38 -11.725 -21.701 -12.441 1.00 70.41 H new ATOM 0 HD2 PRO A 38 -10.550 -19.471 -11.484 1.00 12.41 H new ATOM 0 HD3 PRO A 38 -10.902 -19.635 -13.193 1.00 12.41 H new ATOM 598 N LYS A 39 -14.018 -18.453 -9.814 1.00 52.11 N ATOM 599 CA LYS A 39 -14.803 -18.159 -8.617 1.00 22.42 C ATOM 600 C LYS A 39 -15.501 -16.827 -8.764 1.00 75.30 C ATOM 601 O LYS A 39 -16.620 -16.626 -8.277 1.00 0.35 O ATOM 602 CB LYS A 39 -13.927 -18.142 -7.373 1.00 35.24 C ATOM 603 CG LYS A 39 -13.279 -19.471 -7.059 1.00 3.34 C ATOM 604 CD LYS A 39 -12.425 -19.398 -5.806 1.00 10.34 C ATOM 605 CE LYS A 39 -11.231 -18.466 -5.965 1.00 3.41 C ATOM 606 NZ LYS A 39 -10.402 -18.430 -4.737 1.00 60.13 N ATOM 0 H LYS A 39 -13.008 -18.370 -9.697 1.00 52.11 H new ATOM 0 HA LYS A 39 -15.546 -18.948 -8.504 1.00 22.42 H new ATOM 0 HB2 LYS A 39 -13.148 -17.391 -7.500 1.00 35.24 H new ATOM 0 HB3 LYS A 39 -14.531 -17.833 -6.520 1.00 35.24 H new ATOM 0 HG2 LYS A 39 -14.050 -20.230 -6.930 1.00 3.34 H new ATOM 0 HG3 LYS A 39 -12.662 -19.783 -7.902 1.00 3.34 H new ATOM 0 HD2 LYS A 39 -13.039 -19.058 -4.972 1.00 10.34 H new ATOM 0 HD3 LYS A 39 -12.070 -20.397 -5.554 1.00 10.34 H new ATOM 0 HE2 LYS A 39 -10.622 -18.794 -6.807 1.00 3.41 H new ATOM 0 HE3 LYS A 39 -11.582 -17.461 -6.198 1.00 3.41 H new ATOM 0 HZ1 LYS A 39 -9.598 -17.786 -4.880 1.00 60.13 H new ATOM 0 HZ2 LYS A 39 -10.978 -18.093 -3.939 1.00 60.13 H new ATOM 0 HZ3 LYS A 39 -10.048 -19.385 -4.529 1.00 60.13 H new ATOM 620 N TYR A 40 -14.840 -15.925 -9.428 1.00 22.15 N ATOM 621 CA TYR A 40 -15.374 -14.596 -9.658 1.00 72.42 C ATOM 622 C TYR A 40 -16.090 -14.602 -10.990 1.00 65.03 C ATOM 623 O TYR A 40 -17.047 -13.869 -11.198 1.00 45.31 O ATOM 624 CB TYR A 40 -14.239 -13.579 -9.630 1.00 23.12 C ATOM 625 CG TYR A 40 -13.363 -13.778 -8.418 1.00 11.13 C ATOM 626 CD1 TYR A 40 -13.672 -13.228 -7.189 1.00 32.10 C ATOM 627 CD2 TYR A 40 -12.243 -14.560 -8.515 1.00 71.23 C ATOM 628 CE1 TYR A 40 -12.868 -13.471 -6.096 1.00 20.45 C ATOM 629 CE2 TYR A 40 -11.435 -14.802 -7.445 1.00 2.31 C ATOM 630 CZ TYR A 40 -11.746 -14.261 -6.238 1.00 21.41 C ATOM 631 OH TYR A 40 -10.943 -14.521 -5.165 1.00 15.24 O ATOM 0 H TYR A 40 -13.915 -16.080 -9.829 1.00 22.15 H new ATOM 0 HA TYR A 40 -16.082 -14.316 -8.878 1.00 72.42 H new ATOM 0 HB2 TYR A 40 -13.640 -13.673 -10.535 1.00 23.12 H new ATOM 0 HB3 TYR A 40 -14.651 -12.570 -9.624 1.00 23.12 H new ATOM 0 HD1 TYR A 40 -14.548 -12.605 -7.084 1.00 32.10 H new ATOM 0 HD2 TYR A 40 -11.992 -14.999 -9.470 1.00 71.23 H new ATOM 0 HE1 TYR A 40 -13.115 -13.046 -5.135 1.00 20.45 H new ATOM 0 HE2 TYR A 40 -10.555 -15.418 -7.555 1.00 2.31 H new ATOM 0 HH TYR A 40 -10.199 -15.094 -5.444 1.00 15.24 H new ATOM 641 N SER A 41 -15.581 -15.454 -11.891 1.00 42.41 N ATOM 642 CA SER A 41 -16.193 -15.762 -13.179 1.00 74.30 C ATOM 643 C SER A 41 -16.347 -14.512 -14.059 1.00 54.44 C ATOM 644 O SER A 41 -17.224 -14.465 -14.929 1.00 40.41 O ATOM 645 CB SER A 41 -17.559 -16.442 -12.934 1.00 32.10 C ATOM 646 OG SER A 41 -18.150 -16.912 -14.144 1.00 51.01 O ATOM 0 H SER A 41 -14.708 -15.958 -11.734 1.00 42.41 H new ATOM 0 HA SER A 41 -15.537 -16.441 -13.723 1.00 74.30 H new ATOM 0 HB2 SER A 41 -17.429 -17.278 -12.246 1.00 32.10 H new ATOM 0 HB3 SER A 41 -18.234 -15.735 -12.452 1.00 32.10 H new ATOM 0 HG SER A 41 -17.987 -16.264 -14.861 1.00 51.01 H new ATOM 652 N SER A 42 -15.452 -13.552 -13.872 1.00 45.43 N ATOM 653 CA SER A 42 -15.496 -12.294 -14.576 1.00 22.44 C ATOM 654 C SER A 42 -16.812 -11.548 -14.275 1.00 14.10 C ATOM 655 O SER A 42 -17.802 -11.640 -15.014 1.00 63.02 O ATOM 656 CB SER A 42 -15.251 -12.478 -16.096 1.00 31.04 C ATOM 657 OG SER A 42 -15.210 -11.238 -16.783 1.00 43.43 O ATOM 0 H SER A 42 -14.671 -13.633 -13.220 1.00 45.43 H new ATOM 0 HA SER A 42 -14.679 -11.671 -14.211 1.00 22.44 H new ATOM 0 HB2 SER A 42 -14.311 -13.009 -16.250 1.00 31.04 H new ATOM 0 HB3 SER A 42 -16.041 -13.100 -16.518 1.00 31.04 H new ATOM 0 HG SER A 42 -15.052 -11.398 -17.737 1.00 43.43 H new ATOM 663 N ASP A 43 -16.822 -10.881 -13.149 1.00 1.01 N ATOM 664 CA ASP A 43 -17.965 -10.118 -12.682 1.00 73.44 C ATOM 665 C ASP A 43 -17.858 -8.669 -13.149 1.00 43.53 C ATOM 666 O ASP A 43 -16.763 -8.207 -13.469 1.00 74.32 O ATOM 667 CB ASP A 43 -18.060 -10.235 -11.148 1.00 23.14 C ATOM 668 CG ASP A 43 -19.026 -9.268 -10.516 1.00 5.43 C ATOM 669 OD1 ASP A 43 -20.216 -9.591 -10.405 1.00 65.51 O ATOM 670 OD2 ASP A 43 -18.603 -8.169 -10.130 1.00 64.33 O ATOM 0 H ASP A 43 -16.024 -10.849 -12.515 1.00 1.01 H new ATOM 0 HA ASP A 43 -18.885 -10.520 -13.107 1.00 73.44 H new ATOM 0 HB2 ASP A 43 -18.358 -11.251 -10.890 1.00 23.14 H new ATOM 0 HB3 ASP A 43 -17.070 -10.075 -10.720 1.00 23.14 H new ATOM 675 N GLU A 44 -18.982 -7.970 -13.198 1.00 14.43 N ATOM 676 CA GLU A 44 -19.044 -6.604 -13.710 1.00 73.15 C ATOM 677 C GLU A 44 -18.243 -5.599 -12.885 1.00 24.41 C ATOM 678 O GLU A 44 -17.449 -4.839 -13.442 1.00 42.33 O ATOM 679 CB GLU A 44 -20.484 -6.139 -13.847 1.00 5.32 C ATOM 680 CG GLU A 44 -21.307 -6.953 -14.822 1.00 2.43 C ATOM 681 CD GLU A 44 -22.710 -6.443 -14.929 1.00 4.21 C ATOM 682 OE1 GLU A 44 -22.978 -5.563 -15.775 1.00 64.24 O ATOM 683 OE2 GLU A 44 -23.572 -6.889 -14.150 1.00 64.42 O ATOM 0 H GLU A 44 -19.882 -8.333 -12.883 1.00 14.43 H new ATOM 0 HA GLU A 44 -18.576 -6.639 -14.694 1.00 73.15 H new ATOM 0 HB2 GLU A 44 -20.961 -6.175 -12.867 1.00 5.32 H new ATOM 0 HB3 GLU A 44 -20.489 -5.097 -14.166 1.00 5.32 H new ATOM 0 HG2 GLU A 44 -20.836 -6.928 -15.804 1.00 2.43 H new ATOM 0 HG3 GLU A 44 -21.323 -7.995 -14.502 1.00 2.43 H new ATOM 690 N ASP A 45 -18.420 -5.596 -11.573 1.00 14.44 N ATOM 691 CA ASP A 45 -17.741 -4.592 -10.744 1.00 5.31 C ATOM 692 C ASP A 45 -16.469 -5.156 -10.145 1.00 52.11 C ATOM 693 O ASP A 45 -15.756 -4.478 -9.401 1.00 21.32 O ATOM 694 CB ASP A 45 -18.660 -3.997 -9.645 1.00 51.11 C ATOM 695 CG ASP A 45 -19.062 -4.972 -8.559 1.00 53.32 C ATOM 696 OD1 ASP A 45 -20.032 -5.738 -8.750 1.00 10.22 O ATOM 697 OD2 ASP A 45 -18.432 -4.964 -7.475 1.00 34.04 O ATOM 0 H ASP A 45 -19.009 -6.254 -11.063 1.00 14.44 H new ATOM 0 HA ASP A 45 -17.477 -3.767 -11.406 1.00 5.31 H new ATOM 0 HB2 ASP A 45 -18.151 -3.151 -9.184 1.00 51.11 H new ATOM 0 HB3 ASP A 45 -19.562 -3.608 -10.117 1.00 51.11 H new ATOM 702 N LEU A 46 -16.174 -6.386 -10.495 1.00 73.13 N ATOM 703 CA LEU A 46 -14.968 -7.071 -10.053 1.00 24.00 C ATOM 704 C LEU A 46 -13.696 -6.322 -10.520 1.00 43.21 C ATOM 705 O LEU A 46 -12.870 -5.975 -9.685 1.00 60.23 O ATOM 706 CB LEU A 46 -15.021 -8.560 -10.493 1.00 50.44 C ATOM 707 CG LEU A 46 -13.923 -9.562 -10.029 1.00 13.44 C ATOM 708 CD1 LEU A 46 -12.572 -9.309 -10.670 1.00 12.13 C ATOM 709 CD2 LEU A 46 -13.810 -9.578 -8.509 1.00 74.25 C ATOM 0 H LEU A 46 -16.768 -6.951 -11.102 1.00 73.13 H new ATOM 0 HA LEU A 46 -14.918 -7.066 -8.964 1.00 24.00 H new ATOM 0 HB2 LEU A 46 -15.980 -8.959 -10.163 1.00 50.44 H new ATOM 0 HB3 LEU A 46 -15.028 -8.573 -11.583 1.00 50.44 H new ATOM 0 HG LEU A 46 -14.243 -10.547 -10.370 1.00 13.44 H new ATOM 0 HD11 LEU A 46 -11.853 -10.042 -10.304 1.00 12.13 H new ATOM 0 HD12 LEU A 46 -12.661 -9.397 -11.753 1.00 12.13 H new ATOM 0 HD13 LEU A 46 -12.230 -8.306 -10.415 1.00 12.13 H new ATOM 0 HD21 LEU A 46 -13.037 -10.285 -8.209 1.00 74.25 H new ATOM 0 HD22 LEU A 46 -13.548 -8.582 -8.153 1.00 74.25 H new ATOM 0 HD23 LEU A 46 -14.764 -9.879 -8.076 1.00 74.25 H new ATOM 721 N PRO A 47 -13.522 -6.027 -11.847 1.00 4.43 N ATOM 722 CA PRO A 47 -12.344 -5.294 -12.326 1.00 62.21 C ATOM 723 C PRO A 47 -12.272 -3.894 -11.720 1.00 2.25 C ATOM 724 O PRO A 47 -11.201 -3.378 -11.480 1.00 3.31 O ATOM 725 CB PRO A 47 -12.556 -5.209 -13.843 1.00 31.14 C ATOM 726 CG PRO A 47 -14.012 -5.414 -14.025 1.00 33.33 C ATOM 727 CD PRO A 47 -14.413 -6.379 -12.967 1.00 22.02 C ATOM 0 HA PRO A 47 -11.412 -5.787 -12.049 1.00 62.21 H new ATOM 0 HB2 PRO A 47 -12.239 -4.242 -14.235 1.00 31.14 H new ATOM 0 HB3 PRO A 47 -11.979 -5.970 -14.368 1.00 31.14 H new ATOM 0 HG2 PRO A 47 -14.556 -4.475 -13.926 1.00 33.33 H new ATOM 0 HG3 PRO A 47 -14.232 -5.806 -15.018 1.00 33.33 H new ATOM 0 HD2 PRO A 47 -15.463 -6.270 -12.697 1.00 22.02 H new ATOM 0 HD3 PRO A 47 -14.272 -7.411 -13.287 1.00 22.02 H new ATOM 735 N SER A 48 -13.434 -3.320 -11.434 1.00 60.21 N ATOM 736 CA SER A 48 -13.508 -1.987 -10.856 1.00 1.33 C ATOM 737 C SER A 48 -12.998 -2.038 -9.405 1.00 33.15 C ATOM 738 O SER A 48 -12.299 -1.141 -8.940 1.00 73.11 O ATOM 739 CB SER A 48 -14.964 -1.463 -10.932 1.00 61.31 C ATOM 740 OG SER A 48 -15.087 -0.124 -10.461 1.00 25.33 O ATOM 0 H SER A 48 -14.340 -3.760 -11.594 1.00 60.21 H new ATOM 0 HA SER A 48 -12.878 -1.297 -11.417 1.00 1.33 H new ATOM 0 HB2 SER A 48 -15.312 -1.515 -11.964 1.00 61.31 H new ATOM 0 HB3 SER A 48 -15.612 -2.113 -10.344 1.00 61.31 H new ATOM 0 HG SER A 48 -16.022 0.162 -10.530 1.00 25.33 H new ATOM 746 N LYS A 49 -13.327 -3.125 -8.725 1.00 40.13 N ATOM 747 CA LYS A 49 -12.899 -3.368 -7.362 1.00 52.03 C ATOM 748 C LYS A 49 -11.374 -3.572 -7.338 1.00 42.12 C ATOM 749 O LYS A 49 -10.666 -2.972 -6.530 1.00 12.45 O ATOM 750 CB LYS A 49 -13.630 -4.617 -6.845 1.00 3.45 C ATOM 751 CG LYS A 49 -13.368 -4.982 -5.395 1.00 55.32 C ATOM 752 CD LYS A 49 -14.078 -6.294 -4.961 1.00 44.11 C ATOM 753 CE LYS A 49 -15.633 -6.215 -4.901 1.00 3.12 C ATOM 754 NZ LYS A 49 -16.297 -6.059 -6.222 1.00 74.20 N ATOM 0 H LYS A 49 -13.906 -3.871 -9.111 1.00 40.13 H new ATOM 0 HA LYS A 49 -13.139 -2.520 -6.720 1.00 52.03 H new ATOM 0 HB2 LYS A 49 -14.702 -4.467 -6.974 1.00 3.45 H new ATOM 0 HB3 LYS A 49 -13.349 -5.465 -7.470 1.00 3.45 H new ATOM 0 HG2 LYS A 49 -12.294 -5.089 -5.241 1.00 55.32 H new ATOM 0 HG3 LYS A 49 -13.702 -4.166 -4.755 1.00 55.32 H new ATOM 0 HD2 LYS A 49 -13.796 -7.087 -5.653 1.00 44.11 H new ATOM 0 HD3 LYS A 49 -13.706 -6.582 -3.978 1.00 44.11 H new ATOM 0 HE2 LYS A 49 -16.011 -7.119 -4.424 1.00 3.12 H new ATOM 0 HE3 LYS A 49 -15.917 -5.376 -4.265 1.00 3.12 H new ATOM 0 HZ1 LYS A 49 -16.597 -5.071 -6.345 1.00 74.20 H new ATOM 0 HZ2 LYS A 49 -15.630 -6.315 -6.978 1.00 74.20 H new ATOM 0 HZ3 LYS A 49 -17.129 -6.682 -6.268 1.00 74.20 H new ATOM 768 N LEU A 50 -10.894 -4.404 -8.253 1.00 22.13 N ATOM 769 CA LEU A 50 -9.463 -4.687 -8.398 1.00 64.22 C ATOM 770 C LEU A 50 -8.667 -3.467 -8.819 1.00 11.04 C ATOM 771 O LEU A 50 -7.638 -3.175 -8.228 1.00 32.51 O ATOM 772 CB LEU A 50 -9.214 -5.858 -9.369 1.00 45.14 C ATOM 773 CG LEU A 50 -9.315 -7.294 -8.808 1.00 14.32 C ATOM 774 CD1 LEU A 50 -8.207 -7.543 -7.824 1.00 70.14 C ATOM 775 CD2 LEU A 50 -10.652 -7.560 -8.141 1.00 61.12 C ATOM 0 H LEU A 50 -11.483 -4.905 -8.919 1.00 22.13 H new ATOM 0 HA LEU A 50 -9.109 -4.978 -7.409 1.00 64.22 H new ATOM 0 HB2 LEU A 50 -9.925 -5.769 -10.190 1.00 45.14 H new ATOM 0 HB3 LEU A 50 -8.218 -5.734 -9.794 1.00 45.14 H new ATOM 0 HG LEU A 50 -9.224 -7.975 -9.654 1.00 14.32 H new ATOM 0 HD11 LEU A 50 -8.287 -8.558 -7.435 1.00 70.14 H new ATOM 0 HD12 LEU A 50 -7.245 -7.420 -8.321 1.00 70.14 H new ATOM 0 HD13 LEU A 50 -8.284 -6.832 -7.002 1.00 70.14 H new ATOM 0 HD21 LEU A 50 -10.673 -8.582 -7.763 1.00 61.12 H new ATOM 0 HD22 LEU A 50 -10.790 -6.864 -7.313 1.00 61.12 H new ATOM 0 HD23 LEU A 50 -11.454 -7.425 -8.867 1.00 61.12 H new ATOM 787 N GLU A 51 -9.135 -2.743 -9.825 1.00 55.42 N ATOM 788 CA GLU A 51 -8.417 -1.568 -10.271 1.00 43.43 C ATOM 789 C GLU A 51 -8.493 -0.435 -9.270 1.00 5.53 C ATOM 790 O GLU A 51 -7.568 0.363 -9.172 1.00 4.10 O ATOM 791 CB GLU A 51 -8.793 -1.122 -11.674 1.00 40.22 C ATOM 792 CG GLU A 51 -8.448 -2.153 -12.726 1.00 64.24 C ATOM 793 CD GLU A 51 -8.648 -1.651 -14.121 1.00 63.00 C ATOM 794 OE1 GLU A 51 -9.778 -1.722 -14.636 1.00 25.22 O ATOM 795 OE2 GLU A 51 -7.670 -1.187 -14.728 1.00 71.41 O ATOM 0 H GLU A 51 -9.993 -2.946 -10.337 1.00 55.42 H new ATOM 0 HA GLU A 51 -7.372 -1.871 -10.332 1.00 43.43 H new ATOM 0 HB2 GLU A 51 -9.863 -0.915 -11.711 1.00 40.22 H new ATOM 0 HB3 GLU A 51 -8.280 -0.188 -11.904 1.00 40.22 H new ATOM 0 HG2 GLU A 51 -7.409 -2.459 -12.601 1.00 64.24 H new ATOM 0 HG3 GLU A 51 -9.062 -3.040 -12.573 1.00 64.24 H new ATOM 802 N GLY A 52 -9.588 -0.380 -8.516 1.00 24.43 N ATOM 803 CA GLY A 52 -9.703 0.592 -7.449 1.00 1.33 C ATOM 804 C GLY A 52 -8.652 0.334 -6.398 1.00 72.40 C ATOM 805 O GLY A 52 -8.064 1.260 -5.848 1.00 3.32 O ATOM 0 H GLY A 52 -10.396 -0.992 -8.627 1.00 24.43 H new ATOM 0 HA2 GLY A 52 -9.588 1.599 -7.850 1.00 1.33 H new ATOM 0 HA3 GLY A 52 -10.696 0.538 -7.003 1.00 1.33 H new ATOM 809 N PHE A 53 -8.412 -0.931 -6.144 1.00 4.43 N ATOM 810 CA PHE A 53 -7.380 -1.370 -5.241 1.00 31.43 C ATOM 811 C PHE A 53 -5.978 -1.129 -5.840 1.00 1.43 C ATOM 812 O PHE A 53 -5.100 -0.622 -5.173 1.00 73.21 O ATOM 813 CB PHE A 53 -7.604 -2.837 -4.888 1.00 54.25 C ATOM 814 CG PHE A 53 -6.477 -3.460 -4.156 1.00 42.20 C ATOM 815 CD1 PHE A 53 -6.064 -2.972 -2.938 1.00 1.33 C ATOM 816 CD2 PHE A 53 -5.831 -4.540 -4.694 1.00 1.22 C ATOM 817 CE1 PHE A 53 -5.018 -3.556 -2.277 1.00 2.21 C ATOM 818 CE2 PHE A 53 -4.792 -5.130 -4.040 1.00 21.40 C ATOM 819 CZ PHE A 53 -4.379 -4.642 -2.828 1.00 2.34 C ATOM 0 H PHE A 53 -8.939 -1.695 -6.567 1.00 4.43 H new ATOM 0 HA PHE A 53 -7.432 -0.784 -4.323 1.00 31.43 H new ATOM 0 HB2 PHE A 53 -8.507 -2.921 -4.283 1.00 54.25 H new ATOM 0 HB3 PHE A 53 -7.782 -3.398 -5.806 1.00 54.25 H new ATOM 0 HD1 PHE A 53 -6.568 -2.123 -2.501 1.00 1.33 H new ATOM 0 HD2 PHE A 53 -6.149 -4.930 -5.650 1.00 1.22 H new ATOM 0 HE1 PHE A 53 -4.695 -3.165 -1.324 1.00 2.21 H new ATOM 0 HE2 PHE A 53 -4.294 -5.983 -4.477 1.00 21.40 H new ATOM 0 HZ PHE A 53 -3.555 -5.108 -2.308 1.00 2.34 H new ATOM 829 N LYS A 54 -5.815 -1.488 -7.095 1.00 45.43 N ATOM 830 CA LYS A 54 -4.575 -1.264 -7.877 1.00 74.22 C ATOM 831 C LYS A 54 -4.156 0.196 -7.818 1.00 51.23 C ATOM 832 O LYS A 54 -2.992 0.501 -7.533 1.00 62.01 O ATOM 833 CB LYS A 54 -4.893 -1.712 -9.318 1.00 11.23 C ATOM 834 CG LYS A 54 -3.848 -1.528 -10.457 1.00 23.41 C ATOM 835 CD LYS A 54 -3.720 -0.074 -10.918 1.00 42.13 C ATOM 836 CE LYS A 54 -2.875 0.061 -12.193 1.00 43.14 C ATOM 837 NZ LYS A 54 -3.504 -0.582 -13.386 1.00 0.04 N ATOM 0 H LYS A 54 -6.546 -1.956 -7.630 1.00 45.43 H new ATOM 0 HA LYS A 54 -3.736 -1.832 -7.474 1.00 74.22 H new ATOM 0 HB2 LYS A 54 -5.139 -2.773 -9.277 1.00 11.23 H new ATOM 0 HB3 LYS A 54 -5.797 -1.187 -9.625 1.00 11.23 H new ATOM 0 HG2 LYS A 54 -2.876 -1.882 -10.112 1.00 23.41 H new ATOM 0 HG3 LYS A 54 -4.131 -2.150 -11.307 1.00 23.41 H new ATOM 0 HD2 LYS A 54 -4.714 0.336 -11.098 1.00 42.13 H new ATOM 0 HD3 LYS A 54 -3.270 0.519 -10.122 1.00 42.13 H new ATOM 0 HE2 LYS A 54 -2.711 1.118 -12.402 1.00 43.14 H new ATOM 0 HE3 LYS A 54 -1.896 -0.386 -12.021 1.00 43.14 H new ATOM 0 HZ1 LYS A 54 -3.065 -0.211 -14.252 1.00 0.04 H new ATOM 0 HZ2 LYS A 54 -3.363 -1.611 -13.340 1.00 0.04 H new ATOM 0 HZ3 LYS A 54 -4.523 -0.372 -13.397 1.00 0.04 H new ATOM 851 N GLU A 55 -5.106 1.071 -8.074 1.00 31.54 N ATOM 852 CA GLU A 55 -4.922 2.512 -8.005 1.00 31.44 C ATOM 853 C GLU A 55 -4.362 2.919 -6.652 1.00 54.44 C ATOM 854 O GLU A 55 -3.358 3.623 -6.553 1.00 44.30 O ATOM 855 CB GLU A 55 -6.289 3.164 -8.166 1.00 32.34 C ATOM 856 CG GLU A 55 -6.315 4.655 -7.925 1.00 43.44 C ATOM 857 CD GLU A 55 -7.713 5.189 -7.902 1.00 24.03 C ATOM 858 OE1 GLU A 55 -8.421 4.963 -6.883 1.00 63.55 O ATOM 859 OE2 GLU A 55 -8.135 5.813 -8.884 1.00 24.00 O ATOM 0 H GLU A 55 -6.051 0.797 -8.342 1.00 31.54 H new ATOM 0 HA GLU A 55 -4.228 2.824 -8.785 1.00 31.44 H new ATOM 0 HB2 GLU A 55 -6.653 2.967 -9.175 1.00 32.34 H new ATOM 0 HB3 GLU A 55 -6.986 2.687 -7.477 1.00 32.34 H new ATOM 0 HG2 GLU A 55 -5.825 4.879 -6.978 1.00 43.44 H new ATOM 0 HG3 GLU A 55 -5.746 5.160 -8.706 1.00 43.44 H new ATOM 866 N LYS A 56 -5.013 2.447 -5.635 1.00 30.11 N ATOM 867 CA LYS A 56 -4.724 2.831 -4.289 1.00 52.30 C ATOM 868 C LYS A 56 -3.479 2.176 -3.708 1.00 30.24 C ATOM 869 O LYS A 56 -2.735 2.841 -3.006 1.00 12.14 O ATOM 870 CB LYS A 56 -5.948 2.615 -3.409 1.00 50.31 C ATOM 871 CG LYS A 56 -7.131 3.463 -3.850 1.00 32.24 C ATOM 872 CD LYS A 56 -8.390 3.152 -3.070 1.00 31.53 C ATOM 873 CE LYS A 56 -9.569 3.984 -3.568 1.00 61.42 C ATOM 874 NZ LYS A 56 -9.832 3.783 -5.016 1.00 43.33 N ATOM 0 H LYS A 56 -5.773 1.772 -5.719 1.00 30.11 H new ATOM 0 HA LYS A 56 -4.486 3.895 -4.312 1.00 52.30 H new ATOM 0 HB2 LYS A 56 -6.229 1.562 -3.433 1.00 50.31 H new ATOM 0 HB3 LYS A 56 -5.697 2.854 -2.376 1.00 50.31 H new ATOM 0 HG2 LYS A 56 -6.883 4.518 -3.728 1.00 32.24 H new ATOM 0 HG3 LYS A 56 -7.316 3.299 -4.912 1.00 32.24 H new ATOM 0 HD2 LYS A 56 -8.625 2.092 -3.162 1.00 31.53 H new ATOM 0 HD3 LYS A 56 -8.223 3.350 -2.011 1.00 31.53 H new ATOM 0 HE2 LYS A 56 -10.461 3.722 -3.000 1.00 61.42 H new ATOM 0 HE3 LYS A 56 -9.371 5.039 -3.381 1.00 61.42 H new ATOM 0 HZ1 LYS A 56 -10.829 3.998 -5.221 1.00 43.33 H new ATOM 0 HZ2 LYS A 56 -9.220 4.415 -5.571 1.00 43.33 H new ATOM 0 HZ3 LYS A 56 -9.631 2.795 -5.271 1.00 43.33 H new ATOM 888 N TYR A 57 -3.224 0.889 -4.027 1.00 34.12 N ATOM 889 CA TYR A 57 -2.131 0.146 -3.450 1.00 1.23 C ATOM 890 C TYR A 57 -0.813 0.821 -3.770 1.00 55.30 C ATOM 891 O TYR A 57 0.053 0.957 -2.919 1.00 32.01 O ATOM 892 CB TYR A 57 -2.165 -1.268 -4.018 1.00 33.43 C ATOM 893 CG TYR A 57 -1.178 -2.234 -3.425 1.00 61.04 C ATOM 894 CD1 TYR A 57 -1.494 -2.952 -2.285 1.00 3.24 C ATOM 895 CD2 TYR A 57 0.049 -2.462 -4.024 1.00 62.25 C ATOM 896 CE1 TYR A 57 -0.620 -3.866 -1.756 1.00 25.24 C ATOM 897 CE2 TYR A 57 0.933 -3.374 -3.497 1.00 63.02 C ATOM 898 CZ TYR A 57 0.591 -4.075 -2.365 1.00 64.35 C ATOM 899 OH TYR A 57 1.465 -4.998 -1.844 1.00 2.30 O ATOM 0 H TYR A 57 -3.781 0.354 -4.693 1.00 34.12 H new ATOM 0 HA TYR A 57 -2.230 0.110 -2.365 1.00 1.23 H new ATOM 0 HB2 TYR A 57 -3.168 -1.671 -3.879 1.00 33.43 H new ATOM 0 HB3 TYR A 57 -1.990 -1.212 -5.092 1.00 33.43 H new ATOM 0 HD1 TYR A 57 -2.447 -2.789 -1.803 1.00 3.24 H new ATOM 0 HD2 TYR A 57 0.316 -1.916 -4.917 1.00 62.25 H new ATOM 0 HE1 TYR A 57 -0.883 -4.418 -0.866 1.00 25.24 H new ATOM 0 HE2 TYR A 57 1.890 -3.539 -3.970 1.00 63.02 H new ATOM 0 HH TYR A 57 2.385 -4.684 -1.969 1.00 2.30 H new ATOM 909 N MET A 58 -0.688 1.253 -4.998 1.00 65.34 N ATOM 910 CA MET A 58 0.503 1.937 -5.458 1.00 72.24 C ATOM 911 C MET A 58 0.654 3.360 -4.887 1.00 31.22 C ATOM 912 O MET A 58 1.671 3.995 -5.109 1.00 75.11 O ATOM 913 CB MET A 58 0.610 1.926 -6.975 1.00 4.23 C ATOM 914 CG MET A 58 -0.574 2.546 -7.664 1.00 33.14 C ATOM 915 SD MET A 58 -0.432 2.559 -9.457 1.00 43.40 S ATOM 916 CE MET A 58 -0.321 0.816 -9.800 1.00 22.21 C ATOM 0 H MET A 58 -1.408 1.143 -5.712 1.00 65.34 H new ATOM 0 HA MET A 58 1.343 1.367 -5.061 1.00 72.24 H new ATOM 0 HB2 MET A 58 1.513 2.459 -7.272 1.00 4.23 H new ATOM 0 HB3 MET A 58 0.721 0.897 -7.316 1.00 4.23 H new ATOM 0 HG2 MET A 58 -1.475 2.001 -7.382 1.00 33.14 H new ATOM 0 HG3 MET A 58 -0.696 3.569 -7.309 1.00 33.14 H new ATOM 0 HE1 MET A 58 -0.478 0.644 -10.865 1.00 22.21 H new ATOM 0 HE2 MET A 58 0.666 0.451 -9.515 1.00 22.21 H new ATOM 0 HE3 MET A 58 -1.083 0.284 -9.231 1.00 22.21 H new ATOM 926 N GLU A 59 -0.359 3.867 -4.183 1.00 24.44 N ATOM 927 CA GLU A 59 -0.243 5.191 -3.561 1.00 11.24 C ATOM 928 C GLU A 59 0.530 5.087 -2.269 1.00 31.24 C ATOM 929 O GLU A 59 1.208 6.036 -1.854 1.00 61.11 O ATOM 930 CB GLU A 59 -1.597 5.824 -3.277 1.00 14.13 C ATOM 931 CG GLU A 59 -2.440 6.081 -4.490 1.00 21.23 C ATOM 932 CD GLU A 59 -3.683 6.848 -4.148 1.00 44.31 C ATOM 933 OE1 GLU A 59 -4.648 6.251 -3.658 1.00 22.30 O ATOM 934 OE2 GLU A 59 -3.680 8.095 -4.324 1.00 3.45 O ATOM 0 H GLU A 59 -1.251 3.396 -4.030 1.00 24.44 H new ATOM 0 HA GLU A 59 0.282 5.829 -4.272 1.00 11.24 H new ATOM 0 HB2 GLU A 59 -2.150 5.175 -2.599 1.00 14.13 H new ATOM 0 HB3 GLU A 59 -1.438 6.768 -2.756 1.00 14.13 H new ATOM 0 HG2 GLU A 59 -1.859 6.638 -5.226 1.00 21.23 H new ATOM 0 HG3 GLU A 59 -2.713 5.132 -4.951 1.00 21.23 H new ATOM 941 N PHE A 60 0.424 3.936 -1.637 1.00 33.13 N ATOM 942 CA PHE A 60 1.130 3.661 -0.408 1.00 50.42 C ATOM 943 C PHE A 60 2.604 3.513 -0.741 1.00 30.02 C ATOM 944 O PHE A 60 2.948 3.226 -1.897 1.00 2.42 O ATOM 945 CB PHE A 60 0.644 2.343 0.196 1.00 71.13 C ATOM 946 CG PHE A 60 -0.824 2.258 0.542 1.00 74.24 C ATOM 947 CD1 PHE A 60 -1.754 1.950 -0.419 1.00 62.44 C ATOM 948 CD2 PHE A 60 -1.261 2.477 1.823 1.00 54.34 C ATOM 949 CE1 PHE A 60 -3.100 1.866 -0.117 1.00 22.40 C ATOM 950 CE2 PHE A 60 -2.606 2.396 2.133 1.00 74.42 C ATOM 951 CZ PHE A 60 -3.522 2.089 1.160 1.00 24.35 C ATOM 0 H PHE A 60 -0.157 3.164 -1.965 1.00 33.13 H new ATOM 0 HA PHE A 60 0.958 4.470 0.302 1.00 50.42 H new ATOM 0 HB2 PHE A 60 0.876 1.541 -0.505 1.00 71.13 H new ATOM 0 HB3 PHE A 60 1.219 2.151 1.102 1.00 71.13 H new ATOM 0 HD1 PHE A 60 -1.427 1.769 -1.432 1.00 62.44 H new ATOM 0 HD2 PHE A 60 -0.547 2.715 2.598 1.00 54.34 H new ATOM 0 HE1 PHE A 60 -3.815 1.625 -0.890 1.00 22.40 H new ATOM 0 HE2 PHE A 60 -2.936 2.575 3.145 1.00 74.42 H new ATOM 0 HZ PHE A 60 -4.572 2.024 1.404 1.00 24.35 H new ATOM 961 N ASP A 61 3.473 3.708 0.222 1.00 32.21 N ATOM 962 CA ASP A 61 4.886 3.526 -0.038 1.00 44.10 C ATOM 963 C ASP A 61 5.191 2.057 -0.194 1.00 60.12 C ATOM 964 O ASP A 61 5.186 1.295 0.777 1.00 71.34 O ATOM 965 CB ASP A 61 5.780 4.148 1.033 1.00 0.25 C ATOM 966 CG ASP A 61 7.255 3.997 0.685 1.00 10.13 C ATOM 967 OD1 ASP A 61 7.741 4.736 -0.195 1.00 70.04 O ATOM 968 OD2 ASP A 61 7.946 3.156 1.283 1.00 60.20 O ATOM 0 H ASP A 61 3.237 3.987 1.174 1.00 32.21 H new ATOM 0 HA ASP A 61 5.111 4.052 -0.966 1.00 44.10 H new ATOM 0 HB2 ASP A 61 5.537 5.205 1.142 1.00 0.25 H new ATOM 0 HB3 ASP A 61 5.581 3.674 1.994 1.00 0.25 H new ATOM 973 N LEU A 62 5.399 1.669 -1.419 1.00 33.12 N ATOM 974 CA LEU A 62 5.692 0.314 -1.765 1.00 55.33 C ATOM 975 C LEU A 62 7.132 0.019 -1.379 1.00 22.05 C ATOM 976 O LEU A 62 8.043 0.721 -1.814 1.00 21.14 O ATOM 977 CB LEU A 62 5.484 0.117 -3.292 1.00 1.41 C ATOM 978 CG LEU A 62 4.056 0.426 -3.840 1.00 1.23 C ATOM 979 CD1 LEU A 62 4.001 0.357 -5.365 1.00 2.42 C ATOM 980 CD2 LEU A 62 3.075 -0.560 -3.297 1.00 64.52 C ATOM 0 H LEU A 62 5.368 2.301 -2.219 1.00 33.12 H new ATOM 0 HA LEU A 62 5.029 -0.370 -1.235 1.00 55.33 H new ATOM 0 HB2 LEU A 62 6.197 0.751 -3.819 1.00 1.41 H new ATOM 0 HB3 LEU A 62 5.730 -0.915 -3.541 1.00 1.41 H new ATOM 0 HG LEU A 62 3.807 1.439 -3.522 1.00 1.23 H new ATOM 0 HD11 LEU A 62 2.989 0.579 -5.703 1.00 2.42 H new ATOM 0 HD12 LEU A 62 4.692 1.086 -5.787 1.00 2.42 H new ATOM 0 HD13 LEU A 62 4.283 -0.643 -5.694 1.00 2.42 H new ATOM 0 HD21 LEU A 62 2.081 -0.336 -3.685 1.00 64.52 H new ATOM 0 HD22 LEU A 62 3.365 -1.566 -3.600 1.00 64.52 H new ATOM 0 HD23 LEU A 62 3.062 -0.499 -2.209 1.00 64.52 H new ATOM 992 N ASN A 63 7.332 -0.961 -0.522 1.00 11.53 N ATOM 993 CA ASN A 63 8.685 -1.367 -0.114 1.00 2.12 C ATOM 994 C ASN A 63 9.311 -2.279 -1.161 1.00 55.13 C ATOM 995 O ASN A 63 8.822 -2.367 -2.280 1.00 43.34 O ATOM 996 CB ASN A 63 8.690 -2.062 1.264 1.00 51.22 C ATOM 997 CG ASN A 63 8.335 -1.152 2.414 1.00 43.12 C ATOM 998 OD1 ASN A 63 9.205 -0.502 2.994 1.00 41.53 O ATOM 999 ND2 ASN A 63 7.092 -1.110 2.769 1.00 51.11 N ATOM 0 H ASN A 63 6.582 -1.499 -0.087 1.00 11.53 H new ATOM 0 HA ASN A 63 9.280 -0.458 -0.029 1.00 2.12 H new ATOM 0 HB2 ASN A 63 7.986 -2.894 1.242 1.00 51.22 H new ATOM 0 HB3 ASN A 63 9.678 -2.486 1.442 1.00 51.22 H new ATOM 0 HD21 ASN A 63 6.805 -0.524 3.553 1.00 51.11 H new ATOM 0 HD22 ASN A 63 6.399 -1.663 2.265 1.00 51.11 H new ATOM 1006 N GLY A 64 10.375 -2.967 -0.780 1.00 43.34 N ATOM 1007 CA GLY A 64 11.137 -3.822 -1.700 1.00 12.05 C ATOM 1008 C GLY A 64 10.309 -4.889 -2.422 1.00 34.11 C ATOM 1009 O GLY A 64 10.617 -5.259 -3.561 1.00 4.23 O ATOM 0 H GLY A 64 10.741 -2.954 0.172 1.00 43.34 H new ATOM 0 HA2 GLY A 64 11.618 -3.190 -2.446 1.00 12.05 H new ATOM 0 HA3 GLY A 64 11.931 -4.316 -1.140 1.00 12.05 H new ATOM 1013 N ASN A 65 9.268 -5.384 -1.783 1.00 21.13 N ATOM 1014 CA ASN A 65 8.404 -6.407 -2.389 1.00 74.54 C ATOM 1015 C ASN A 65 7.144 -5.738 -2.922 1.00 40.14 C ATOM 1016 O ASN A 65 6.289 -6.362 -3.538 1.00 53.41 O ATOM 1017 CB ASN A 65 8.058 -7.506 -1.337 1.00 45.52 C ATOM 1018 CG ASN A 65 7.166 -8.638 -1.861 1.00 34.34 C ATOM 1019 OD1 ASN A 65 7.656 -9.631 -2.401 1.00 63.21 O ATOM 1020 ND2 ASN A 65 5.869 -8.523 -1.664 1.00 32.31 N ATOM 0 H ASN A 65 8.990 -5.102 -0.843 1.00 21.13 H new ATOM 0 HA ASN A 65 8.922 -6.891 -3.217 1.00 74.54 H new ATOM 0 HB2 ASN A 65 8.987 -7.937 -0.964 1.00 45.52 H new ATOM 0 HB3 ASN A 65 7.562 -7.034 -0.489 1.00 45.52 H new ATOM 0 HD21 ASN A 65 5.240 -9.269 -1.961 1.00 32.31 H new ATOM 0 HD22 ASN A 65 5.494 -7.688 -1.214 1.00 32.31 H new ATOM 1027 N GLY A 66 7.073 -4.450 -2.721 1.00 32.22 N ATOM 1028 CA GLY A 66 5.903 -3.714 -3.076 1.00 23.53 C ATOM 1029 C GLY A 66 4.889 -3.827 -1.996 1.00 55.04 C ATOM 1030 O GLY A 66 3.712 -3.710 -2.218 1.00 62.41 O ATOM 0 H GLY A 66 7.820 -3.891 -2.310 1.00 32.22 H new ATOM 0 HA2 GLY A 66 6.157 -2.667 -3.240 1.00 23.53 H new ATOM 0 HA3 GLY A 66 5.494 -4.093 -4.012 1.00 23.53 H new ATOM 1034 N ASP A 67 5.382 -4.037 -0.836 1.00 33.03 N ATOM 1035 CA ASP A 67 4.605 -4.303 0.350 1.00 65.11 C ATOM 1036 C ASP A 67 4.421 -3.044 1.169 1.00 32.42 C ATOM 1037 O ASP A 67 5.207 -2.109 1.042 1.00 45.13 O ATOM 1038 CB ASP A 67 5.318 -5.398 1.160 1.00 25.14 C ATOM 1039 CG ASP A 67 6.782 -5.077 1.465 1.00 33.44 C ATOM 1040 OD1 ASP A 67 7.601 -4.988 0.509 1.00 41.51 O ATOM 1041 OD2 ASP A 67 7.140 -4.962 2.639 1.00 43.33 O ATOM 0 H ASP A 67 6.387 -4.032 -0.660 1.00 33.03 H new ATOM 0 HA ASP A 67 3.609 -4.647 0.072 1.00 65.11 H new ATOM 0 HB2 ASP A 67 4.785 -5.550 2.098 1.00 25.14 H new ATOM 0 HB3 ASP A 67 5.268 -6.337 0.609 1.00 25.14 H new ATOM 1046 N ILE A 68 3.376 -3.008 1.992 1.00 73.13 N ATOM 1047 CA ILE A 68 3.085 -1.828 2.809 1.00 14.13 C ATOM 1048 C ILE A 68 3.012 -2.214 4.290 1.00 63.50 C ATOM 1049 O ILE A 68 2.313 -3.167 4.661 1.00 23.22 O ATOM 1050 CB ILE A 68 1.746 -1.088 2.427 1.00 54.40 C ATOM 1051 CG1 ILE A 68 1.701 -0.584 0.972 1.00 35.34 C ATOM 1052 CG2 ILE A 68 1.480 0.088 3.366 1.00 74.22 C ATOM 1053 CD1 ILE A 68 1.396 -1.605 -0.089 1.00 51.21 C ATOM 0 H ILE A 68 2.718 -3.778 2.112 1.00 73.13 H new ATOM 0 HA ILE A 68 3.905 -1.137 2.614 1.00 14.13 H new ATOM 0 HB ILE A 68 0.968 -1.844 2.533 1.00 54.40 H new ATOM 0 HG12 ILE A 68 0.952 0.206 0.909 1.00 35.34 H new ATOM 0 HG13 ILE A 68 2.664 -0.130 0.740 1.00 35.34 H new ATOM 0 HG21 ILE A 68 0.550 0.580 3.079 1.00 74.22 H new ATOM 0 HG22 ILE A 68 1.397 -0.276 4.390 1.00 74.22 H new ATOM 0 HG23 ILE A 68 2.303 0.800 3.299 1.00 74.22 H new ATOM 0 HD11 ILE A 68 1.394 -1.124 -1.067 1.00 51.21 H new ATOM 0 HD12 ILE A 68 2.156 -2.387 -0.071 1.00 51.21 H new ATOM 0 HD13 ILE A 68 0.417 -2.046 0.101 1.00 51.21 H new ATOM 1065 N ASP A 69 3.728 -1.477 5.116 1.00 72.35 N ATOM 1066 CA ASP A 69 3.782 -1.709 6.561 1.00 3.22 C ATOM 1067 C ASP A 69 2.859 -0.759 7.336 1.00 3.33 C ATOM 1068 O ASP A 69 2.346 0.220 6.783 1.00 61.54 O ATOM 1069 CB ASP A 69 5.211 -1.547 7.061 1.00 3.32 C ATOM 1070 CG ASP A 69 5.761 -0.182 6.737 1.00 12.12 C ATOM 1071 OD1 ASP A 69 6.280 0.011 5.623 1.00 41.03 O ATOM 1072 OD2 ASP A 69 5.654 0.724 7.561 1.00 33.33 O ATOM 0 H ASP A 69 4.298 -0.689 4.807 1.00 72.35 H new ATOM 0 HA ASP A 69 3.436 -2.727 6.738 1.00 3.22 H new ATOM 0 HB2 ASP A 69 5.240 -1.705 8.139 1.00 3.32 H new ATOM 0 HB3 ASP A 69 5.844 -2.311 6.610 1.00 3.32 H new ATOM 1077 N ILE A 70 2.679 -1.061 8.632 1.00 11.40 N ATOM 1078 CA ILE A 70 1.809 -0.304 9.546 1.00 1.45 C ATOM 1079 C ILE A 70 2.248 1.162 9.743 1.00 0.15 C ATOM 1080 O ILE A 70 1.429 2.013 10.060 1.00 43.01 O ATOM 1081 CB ILE A 70 1.604 -1.065 10.929 1.00 1.21 C ATOM 1082 CG1 ILE A 70 2.900 -1.334 11.703 1.00 2.22 C ATOM 1083 CG2 ILE A 70 0.845 -2.353 10.745 1.00 20.51 C ATOM 1084 CD1 ILE A 70 3.387 -0.166 12.491 1.00 43.13 C ATOM 0 H ILE A 70 3.142 -1.851 9.081 1.00 11.40 H new ATOM 0 HA ILE A 70 0.836 -0.249 9.057 1.00 1.45 H new ATOM 0 HB ILE A 70 1.017 -0.375 11.536 1.00 1.21 H new ATOM 0 HG12 ILE A 70 2.740 -2.174 12.379 1.00 2.22 H new ATOM 0 HG13 ILE A 70 3.676 -1.634 10.999 1.00 2.22 H new ATOM 0 HG21 ILE A 70 0.724 -2.845 11.710 1.00 20.51 H new ATOM 0 HG22 ILE A 70 -0.136 -2.140 10.321 1.00 20.51 H new ATOM 0 HG23 ILE A 70 1.397 -3.008 10.071 1.00 20.51 H new ATOM 0 HD11 ILE A 70 4.307 -0.435 13.010 1.00 43.13 H new ATOM 0 HD12 ILE A 70 3.581 0.671 11.820 1.00 43.13 H new ATOM 0 HD13 ILE A 70 2.630 0.122 13.221 1.00 43.13 H new ATOM 1096 N MET A 71 3.536 1.448 9.533 1.00 52.04 N ATOM 1097 CA MET A 71 4.060 2.816 9.671 1.00 24.24 C ATOM 1098 C MET A 71 3.639 3.578 8.410 1.00 53.52 C ATOM 1099 O MET A 71 2.958 4.613 8.483 1.00 11.22 O ATOM 1100 CB MET A 71 5.611 2.751 9.791 1.00 61.12 C ATOM 1101 CG MET A 71 6.412 4.015 10.254 1.00 13.22 C ATOM 1102 SD MET A 71 6.224 5.540 9.267 1.00 5.43 S ATOM 1103 CE MET A 71 4.828 6.327 10.074 1.00 30.31 C ATOM 0 H MET A 71 4.236 0.755 9.267 1.00 52.04 H new ATOM 0 HA MET A 71 3.674 3.317 10.559 1.00 24.24 H new ATOM 0 HB2 MET A 71 5.849 1.944 10.484 1.00 61.12 H new ATOM 0 HB3 MET A 71 6.000 2.459 8.816 1.00 61.12 H new ATOM 0 HG2 MET A 71 6.121 4.240 11.280 1.00 13.22 H new ATOM 0 HG3 MET A 71 7.470 3.755 10.272 1.00 13.22 H new ATOM 0 HE1 MET A 71 4.140 6.709 9.320 1.00 30.31 H new ATOM 0 HE2 MET A 71 4.312 5.599 10.700 1.00 30.31 H new ATOM 0 HE3 MET A 71 5.183 7.151 10.693 1.00 30.31 H new ATOM 1113 N SER A 72 3.990 3.013 7.255 1.00 5.20 N ATOM 1114 CA SER A 72 3.659 3.593 5.951 1.00 21.11 C ATOM 1115 C SER A 72 2.151 3.818 5.816 1.00 63.41 C ATOM 1116 O SER A 72 1.708 4.879 5.382 1.00 34.54 O ATOM 1117 CB SER A 72 4.144 2.672 4.831 1.00 71.23 C ATOM 1118 OG SER A 72 5.539 2.450 4.925 1.00 31.45 O ATOM 0 H SER A 72 4.513 2.139 7.196 1.00 5.20 H new ATOM 0 HA SER A 72 4.160 4.558 5.872 1.00 21.11 H new ATOM 0 HB2 SER A 72 3.616 1.720 4.884 1.00 71.23 H new ATOM 0 HB3 SER A 72 3.907 3.114 3.863 1.00 71.23 H new ATOM 0 HG SER A 72 5.722 1.489 4.871 1.00 31.45 H new ATOM 1124 N LEU A 73 1.379 2.818 6.214 1.00 35.25 N ATOM 1125 CA LEU A 73 -0.072 2.883 6.176 1.00 64.11 C ATOM 1126 C LEU A 73 -0.583 4.007 7.073 1.00 44.12 C ATOM 1127 O LEU A 73 -1.434 4.771 6.674 1.00 63.02 O ATOM 1128 CB LEU A 73 -0.665 1.538 6.642 1.00 23.31 C ATOM 1129 CG LEU A 73 -2.195 1.452 6.721 1.00 25.14 C ATOM 1130 CD1 LEU A 73 -2.817 1.639 5.363 1.00 3.11 C ATOM 1131 CD2 LEU A 73 -2.639 0.141 7.342 1.00 41.34 C ATOM 0 H LEU A 73 1.744 1.936 6.574 1.00 35.25 H new ATOM 0 HA LEU A 73 -0.384 3.085 5.151 1.00 64.11 H new ATOM 0 HB2 LEU A 73 -0.315 0.759 5.965 1.00 23.31 H new ATOM 0 HB3 LEU A 73 -0.260 1.310 7.628 1.00 23.31 H new ATOM 0 HG LEU A 73 -2.540 2.261 7.365 1.00 25.14 H new ATOM 0 HD11 LEU A 73 -3.902 1.573 5.447 1.00 3.11 H new ATOM 0 HD12 LEU A 73 -2.542 2.617 4.969 1.00 3.11 H new ATOM 0 HD13 LEU A 73 -2.458 0.862 4.688 1.00 3.11 H new ATOM 0 HD21 LEU A 73 -3.728 0.109 7.385 1.00 41.34 H new ATOM 0 HD22 LEU A 73 -2.275 -0.690 6.737 1.00 41.34 H new ATOM 0 HD23 LEU A 73 -2.234 0.061 8.351 1.00 41.34 H new ATOM 1143 N LYS A 74 -0.027 4.116 8.265 1.00 32.43 N ATOM 1144 CA LYS A 74 -0.486 5.088 9.251 1.00 32.10 C ATOM 1145 C LYS A 74 -0.337 6.519 8.721 1.00 63.40 C ATOM 1146 O LYS A 74 -1.231 7.349 8.896 1.00 34.01 O ATOM 1147 CB LYS A 74 0.260 4.857 10.588 1.00 14.10 C ATOM 1148 CG LYS A 74 -0.285 5.603 11.821 1.00 23.15 C ATOM 1149 CD LYS A 74 0.096 7.071 11.886 1.00 35.05 C ATOM 1150 CE LYS A 74 1.595 7.222 12.002 1.00 22.23 C ATOM 1151 NZ LYS A 74 1.995 8.616 12.295 1.00 1.53 N ATOM 0 H LYS A 74 0.752 3.538 8.580 1.00 32.43 H new ATOM 0 HA LYS A 74 -1.550 4.948 9.439 1.00 32.10 H new ATOM 0 HB2 LYS A 74 0.249 3.789 10.804 1.00 14.10 H new ATOM 0 HB3 LYS A 74 1.303 5.143 10.450 1.00 14.10 H new ATOM 0 HG2 LYS A 74 -1.372 5.522 11.828 1.00 23.15 H new ATOM 0 HG3 LYS A 74 0.078 5.106 12.721 1.00 23.15 H new ATOM 0 HD2 LYS A 74 -0.260 7.585 10.993 1.00 35.05 H new ATOM 0 HD3 LYS A 74 -0.390 7.542 12.740 1.00 35.05 H new ATOM 0 HE2 LYS A 74 1.965 6.566 12.790 1.00 22.23 H new ATOM 0 HE3 LYS A 74 2.064 6.899 11.073 1.00 22.23 H new ATOM 0 HZ1 LYS A 74 3.028 8.705 12.215 1.00 1.53 H new ATOM 0 HZ2 LYS A 74 1.539 9.258 11.616 1.00 1.53 H new ATOM 0 HZ3 LYS A 74 1.699 8.866 13.260 1.00 1.53 H new ATOM 1165 N ARG A 75 0.765 6.779 8.044 1.00 13.24 N ATOM 1166 CA ARG A 75 1.047 8.068 7.473 1.00 3.22 C ATOM 1167 C ARG A 75 0.022 8.410 6.363 1.00 14.54 C ATOM 1168 O ARG A 75 -0.324 9.581 6.154 1.00 53.24 O ATOM 1169 CB ARG A 75 2.450 8.016 6.925 1.00 41.01 C ATOM 1170 CG ARG A 75 2.977 9.299 6.367 1.00 53.01 C ATOM 1171 CD ARG A 75 4.375 9.080 5.864 1.00 64.14 C ATOM 1172 NE ARG A 75 4.413 8.086 4.786 1.00 1.53 N ATOM 1173 CZ ARG A 75 5.365 7.159 4.612 1.00 71.11 C ATOM 1174 NH1 ARG A 75 6.381 7.057 5.469 1.00 63.41 N ATOM 1175 NH2 ARG A 75 5.293 6.332 3.590 1.00 44.34 N ATOM 0 H ARG A 75 1.495 6.087 7.877 1.00 13.24 H new ATOM 0 HA ARG A 75 0.966 8.852 8.226 1.00 3.22 H new ATOM 0 HB2 ARG A 75 3.119 7.685 7.720 1.00 41.01 H new ATOM 0 HB3 ARG A 75 2.487 7.259 6.142 1.00 41.01 H new ATOM 0 HG2 ARG A 75 2.336 9.648 5.557 1.00 53.01 H new ATOM 0 HG3 ARG A 75 2.971 10.073 7.134 1.00 53.01 H new ATOM 0 HD2 ARG A 75 4.784 10.024 5.504 1.00 64.14 H new ATOM 0 HD3 ARG A 75 5.010 8.750 6.686 1.00 64.14 H new ATOM 0 HE ARG A 75 3.649 8.102 4.111 1.00 1.53 H new ATOM 0 HH11 ARG A 75 6.440 7.689 6.268 1.00 63.41 H new ATOM 0 HH12 ARG A 75 7.100 6.347 5.326 1.00 63.41 H new ATOM 0 HH21 ARG A 75 4.515 6.398 2.934 1.00 44.34 H new ATOM 0 HH22 ARG A 75 6.016 5.625 3.454 1.00 44.34 H new ATOM 1189 N MET A 76 -0.461 7.372 5.683 1.00 70.32 N ATOM 1190 CA MET A 76 -1.456 7.505 4.619 1.00 74.51 C ATOM 1191 C MET A 76 -2.749 8.041 5.184 1.00 72.12 C ATOM 1192 O MET A 76 -3.262 9.044 4.711 1.00 61.24 O ATOM 1193 CB MET A 76 -1.714 6.146 3.979 1.00 50.30 C ATOM 1194 CG MET A 76 -0.517 5.553 3.275 1.00 13.13 C ATOM 1195 SD MET A 76 -0.135 6.353 1.711 1.00 62.33 S ATOM 1196 CE MET A 76 -1.577 5.874 0.767 1.00 42.50 C ATOM 0 H MET A 76 -0.172 6.409 5.855 1.00 70.32 H new ATOM 0 HA MET A 76 -1.075 8.197 3.868 1.00 74.51 H new ATOM 0 HB2 MET A 76 -2.048 5.452 4.750 1.00 50.30 H new ATOM 0 HB3 MET A 76 -2.530 6.244 3.263 1.00 50.30 H new ATOM 0 HG2 MET A 76 0.351 5.622 3.931 1.00 13.13 H new ATOM 0 HG3 MET A 76 -0.699 4.493 3.097 1.00 13.13 H new ATOM 0 HE1 MET A 76 -1.262 5.391 -0.158 1.00 42.50 H new ATOM 0 HE2 MET A 76 -2.181 5.180 1.352 1.00 42.50 H new ATOM 0 HE3 MET A 76 -2.168 6.759 0.531 1.00 42.50 H new ATOM 1206 N LEU A 77 -3.258 7.379 6.227 1.00 55.54 N ATOM 1207 CA LEU A 77 -4.508 7.787 6.883 1.00 63.15 C ATOM 1208 C LEU A 77 -4.432 9.232 7.366 1.00 40.54 C ATOM 1209 O LEU A 77 -5.407 9.989 7.255 1.00 33.11 O ATOM 1210 CB LEU A 77 -4.904 6.833 8.049 1.00 2.12 C ATOM 1211 CG LEU A 77 -5.430 5.406 7.692 1.00 33.03 C ATOM 1212 CD1 LEU A 77 -6.666 5.460 6.827 1.00 64.43 C ATOM 1213 CD2 LEU A 77 -4.383 4.549 7.040 1.00 21.31 C ATOM 0 H LEU A 77 -2.822 6.554 6.638 1.00 55.54 H new ATOM 0 HA LEU A 77 -5.294 7.718 6.131 1.00 63.15 H new ATOM 0 HB2 LEU A 77 -4.032 6.715 8.692 1.00 2.12 H new ATOM 0 HB3 LEU A 77 -5.672 7.332 8.641 1.00 2.12 H new ATOM 0 HG LEU A 77 -5.693 4.943 8.643 1.00 33.03 H new ATOM 0 HD11 LEU A 77 -6.998 4.446 6.603 1.00 64.43 H new ATOM 0 HD12 LEU A 77 -7.457 5.992 7.356 1.00 64.43 H new ATOM 0 HD13 LEU A 77 -6.437 5.981 5.897 1.00 64.43 H new ATOM 0 HD21 LEU A 77 -4.804 3.569 6.814 1.00 21.31 H new ATOM 0 HD22 LEU A 77 -4.049 5.022 6.117 1.00 21.31 H new ATOM 0 HD23 LEU A 77 -3.535 4.433 7.716 1.00 21.31 H new ATOM 1225 N GLU A 78 -3.269 9.629 7.857 1.00 30.24 N ATOM 1226 CA GLU A 78 -3.074 10.989 8.316 1.00 41.03 C ATOM 1227 C GLU A 78 -3.140 11.977 7.150 1.00 33.41 C ATOM 1228 O GLU A 78 -3.777 13.028 7.256 1.00 51.23 O ATOM 1229 CB GLU A 78 -1.771 11.145 9.079 1.00 55.45 C ATOM 1230 CG GLU A 78 -1.671 10.271 10.305 1.00 14.50 C ATOM 1231 CD GLU A 78 -0.457 10.585 11.124 1.00 43.00 C ATOM 1232 OE1 GLU A 78 0.663 10.231 10.716 1.00 53.33 O ATOM 1233 OE2 GLU A 78 -0.604 11.184 12.210 1.00 43.41 O ATOM 0 H GLU A 78 -2.449 9.028 7.947 1.00 30.24 H new ATOM 0 HA GLU A 78 -3.887 11.216 9.005 1.00 41.03 H new ATOM 0 HB2 GLU A 78 -0.941 10.914 8.412 1.00 55.45 H new ATOM 0 HB3 GLU A 78 -1.659 12.187 9.378 1.00 55.45 H new ATOM 0 HG2 GLU A 78 -2.564 10.402 10.916 1.00 14.50 H new ATOM 0 HG3 GLU A 78 -1.642 9.224 10.002 1.00 14.50 H new ATOM 1240 N LYS A 79 -2.507 11.623 6.029 1.00 2.31 N ATOM 1241 CA LYS A 79 -2.531 12.464 4.829 1.00 2.44 C ATOM 1242 C LYS A 79 -3.955 12.561 4.276 1.00 72.52 C ATOM 1243 O LYS A 79 -4.378 13.603 3.769 1.00 0.40 O ATOM 1244 CB LYS A 79 -1.578 11.909 3.751 1.00 42.01 C ATOM 1245 CG LYS A 79 -1.573 12.716 2.449 1.00 63.51 C ATOM 1246 CD LYS A 79 -0.617 12.137 1.407 1.00 24.31 C ATOM 1247 CE LYS A 79 0.836 12.214 1.849 1.00 54.24 C ATOM 1248 NZ LYS A 79 1.754 11.676 0.821 1.00 24.22 N ATOM 0 H LYS A 79 -1.972 10.761 5.927 1.00 2.31 H new ATOM 0 HA LYS A 79 -2.192 13.462 5.106 1.00 2.44 H new ATOM 0 HB2 LYS A 79 -0.566 11.883 4.154 1.00 42.01 H new ATOM 0 HB3 LYS A 79 -1.859 10.880 3.527 1.00 42.01 H new ATOM 0 HG2 LYS A 79 -2.582 12.742 2.037 1.00 63.51 H new ATOM 0 HG3 LYS A 79 -1.290 13.746 2.665 1.00 63.51 H new ATOM 0 HD2 LYS A 79 -0.881 11.097 1.214 1.00 24.31 H new ATOM 0 HD3 LYS A 79 -0.737 12.676 0.468 1.00 24.31 H new ATOM 0 HE2 LYS A 79 1.096 13.251 2.062 1.00 54.24 H new ATOM 0 HE3 LYS A 79 0.963 11.657 2.777 1.00 54.24 H new ATOM 0 HZ1 LYS A 79 2.735 11.746 1.160 1.00 24.22 H new ATOM 0 HZ2 LYS A 79 1.522 10.679 0.636 1.00 24.22 H new ATOM 0 HZ3 LYS A 79 1.651 12.224 -0.057 1.00 24.22 H new ATOM 1262 N LEU A 80 -4.686 11.480 4.403 1.00 23.33 N ATOM 1263 CA LEU A 80 -6.056 11.397 3.937 1.00 43.15 C ATOM 1264 C LEU A 80 -7.015 12.190 4.825 1.00 22.01 C ATOM 1265 O LEU A 80 -8.102 12.581 4.384 1.00 25.23 O ATOM 1266 CB LEU A 80 -6.475 9.943 3.840 1.00 44.45 C ATOM 1267 CG LEU A 80 -5.654 9.102 2.865 1.00 52.44 C ATOM 1268 CD1 LEU A 80 -6.099 7.663 2.894 1.00 64.43 C ATOM 1269 CD2 LEU A 80 -5.744 9.668 1.456 1.00 62.52 C ATOM 0 H LEU A 80 -4.346 10.622 4.837 1.00 23.33 H new ATOM 0 HA LEU A 80 -6.105 11.849 2.947 1.00 43.15 H new ATOM 0 HB2 LEU A 80 -6.408 9.494 4.831 1.00 44.45 H new ATOM 0 HB3 LEU A 80 -7.522 9.901 3.541 1.00 44.45 H new ATOM 0 HG LEU A 80 -4.611 9.140 3.179 1.00 52.44 H new ATOM 0 HD11 LEU A 80 -5.500 7.083 2.192 1.00 64.43 H new ATOM 0 HD12 LEU A 80 -5.969 7.262 3.899 1.00 64.43 H new ATOM 0 HD13 LEU A 80 -7.150 7.601 2.612 1.00 64.43 H new ATOM 0 HD21 LEU A 80 -5.152 9.053 0.778 1.00 62.52 H new ATOM 0 HD22 LEU A 80 -6.784 9.669 1.130 1.00 62.52 H new ATOM 0 HD23 LEU A 80 -5.361 10.688 1.449 1.00 62.52 H new ATOM 1281 N GLY A 81 -6.609 12.436 6.057 1.00 23.15 N ATOM 1282 CA GLY A 81 -7.424 13.218 6.960 1.00 4.50 C ATOM 1283 C GLY A 81 -8.262 12.361 7.878 1.00 74.22 C ATOM 1284 O GLY A 81 -9.202 12.847 8.511 1.00 74.13 O ATOM 0 H GLY A 81 -5.727 12.108 6.450 1.00 23.15 H new ATOM 0 HA2 GLY A 81 -6.780 13.862 7.558 1.00 4.50 H new ATOM 0 HA3 GLY A 81 -8.078 13.870 6.381 1.00 4.50 H new ATOM 1288 N VAL A 82 -7.928 11.103 7.965 1.00 55.01 N ATOM 1289 CA VAL A 82 -8.650 10.166 8.801 1.00 64.43 C ATOM 1290 C VAL A 82 -7.739 9.576 9.892 1.00 71.12 C ATOM 1291 O VAL A 82 -6.883 8.741 9.623 1.00 61.42 O ATOM 1292 CB VAL A 82 -9.351 9.051 7.963 1.00 62.42 C ATOM 1293 CG1 VAL A 82 -10.553 9.622 7.225 1.00 21.32 C ATOM 1294 CG2 VAL A 82 -8.394 8.468 6.941 1.00 71.04 C ATOM 0 H VAL A 82 -7.145 10.691 7.458 1.00 55.01 H new ATOM 0 HA VAL A 82 -9.442 10.723 9.301 1.00 64.43 H new ATOM 0 HB VAL A 82 -9.672 8.270 8.652 1.00 62.42 H new ATOM 0 HG11 VAL A 82 -11.032 8.833 6.645 1.00 21.32 H new ATOM 0 HG12 VAL A 82 -11.264 10.025 7.946 1.00 21.32 H new ATOM 0 HG13 VAL A 82 -10.225 10.417 6.555 1.00 21.32 H new ATOM 0 HG21 VAL A 82 -8.902 7.693 6.368 1.00 71.04 H new ATOM 0 HG22 VAL A 82 -8.057 9.256 6.267 1.00 71.04 H new ATOM 0 HG23 VAL A 82 -7.534 8.036 7.453 1.00 71.04 H new ATOM 1304 N PRO A 83 -7.898 10.031 11.141 1.00 53.13 N ATOM 1305 CA PRO A 83 -7.037 9.623 12.238 1.00 24.24 C ATOM 1306 C PRO A 83 -7.437 8.291 12.898 1.00 64.22 C ATOM 1307 O PRO A 83 -8.500 8.168 13.528 1.00 73.03 O ATOM 1308 CB PRO A 83 -7.167 10.778 13.228 1.00 50.13 C ATOM 1309 CG PRO A 83 -8.546 11.322 13.009 1.00 24.22 C ATOM 1310 CD PRO A 83 -8.933 10.992 11.582 1.00 14.31 C ATOM 0 HA PRO A 83 -6.021 9.437 11.889 1.00 24.24 H new ATOM 0 HB2 PRO A 83 -7.036 10.435 14.254 1.00 50.13 H new ATOM 0 HB3 PRO A 83 -6.409 11.540 13.048 1.00 50.13 H new ATOM 0 HG2 PRO A 83 -9.251 10.878 13.712 1.00 24.22 H new ATOM 0 HG3 PRO A 83 -8.566 12.399 13.174 1.00 24.22 H new ATOM 0 HD2 PRO A 83 -9.930 10.555 11.530 1.00 14.31 H new ATOM 0 HD3 PRO A 83 -8.942 11.884 10.955 1.00 14.31 H new ATOM 1318 N LYS A 84 -6.593 7.301 12.733 1.00 63.25 N ATOM 1319 CA LYS A 84 -6.757 6.017 13.392 1.00 1.34 C ATOM 1320 C LYS A 84 -5.692 5.890 14.471 1.00 74.32 C ATOM 1321 O LYS A 84 -4.639 6.530 14.371 1.00 15.44 O ATOM 1322 CB LYS A 84 -6.654 4.824 12.402 1.00 53.43 C ATOM 1323 CG LYS A 84 -7.847 4.607 11.445 1.00 3.33 C ATOM 1324 CD LYS A 84 -8.090 5.758 10.485 1.00 53.25 C ATOM 1325 CE LYS A 84 -9.254 5.455 9.545 1.00 43.53 C ATOM 1326 NZ LYS A 84 -10.531 5.253 10.265 1.00 5.14 N ATOM 0 H LYS A 84 -5.768 7.358 12.136 1.00 63.25 H new ATOM 0 HA LYS A 84 -7.756 5.980 13.826 1.00 1.34 H new ATOM 0 HB2 LYS A 84 -5.756 4.959 11.800 1.00 53.43 H new ATOM 0 HB3 LYS A 84 -6.514 3.912 12.983 1.00 53.43 H new ATOM 0 HG2 LYS A 84 -7.676 3.698 10.869 1.00 3.33 H new ATOM 0 HG3 LYS A 84 -8.748 4.445 12.036 1.00 3.33 H new ATOM 0 HD2 LYS A 84 -8.301 6.667 11.048 1.00 53.25 H new ATOM 0 HD3 LYS A 84 -7.188 5.946 9.903 1.00 53.25 H new ATOM 0 HE2 LYS A 84 -9.367 6.276 8.837 1.00 43.53 H new ATOM 0 HE3 LYS A 84 -9.024 4.562 8.964 1.00 43.53 H new ATOM 0 HZ1 LYS A 84 -11.316 5.236 9.582 1.00 5.14 H new ATOM 0 HZ2 LYS A 84 -10.500 4.350 10.779 1.00 5.14 H new ATOM 0 HZ3 LYS A 84 -10.676 6.031 10.940 1.00 5.14 H new ATOM 1340 N THR A 85 -5.943 5.089 15.487 1.00 44.11 N ATOM 1341 CA THR A 85 -4.978 4.926 16.553 1.00 60.31 C ATOM 1342 C THR A 85 -3.925 3.917 16.097 1.00 24.53 C ATOM 1343 O THR A 85 -4.243 3.017 15.320 1.00 61.20 O ATOM 1344 CB THR A 85 -5.658 4.474 17.888 1.00 72.40 C ATOM 1345 OG1 THR A 85 -4.704 4.426 18.950 1.00 44.22 O ATOM 1346 CG2 THR A 85 -6.326 3.112 17.755 1.00 55.12 C ATOM 0 H THR A 85 -6.799 4.546 15.596 1.00 44.11 H new ATOM 0 HA THR A 85 -4.505 5.886 16.762 1.00 60.31 H new ATOM 0 HB THR A 85 -6.426 5.213 18.116 1.00 72.40 H new ATOM 0 HG1 THR A 85 -5.148 4.143 19.776 1.00 44.22 H new ATOM 0 HG21 THR A 85 -6.785 2.838 18.705 1.00 55.12 H new ATOM 0 HG22 THR A 85 -7.092 3.157 16.981 1.00 55.12 H new ATOM 0 HG23 THR A 85 -5.579 2.366 17.484 1.00 55.12 H new ATOM 1354 N HIS A 86 -2.694 4.056 16.590 1.00 42.24 N ATOM 1355 CA HIS A 86 -1.554 3.244 16.128 1.00 2.21 C ATOM 1356 C HIS A 86 -1.833 1.732 16.191 1.00 30.14 C ATOM 1357 O HIS A 86 -1.388 0.985 15.320 1.00 43.12 O ATOM 1358 CB HIS A 86 -0.264 3.613 16.892 1.00 62.14 C ATOM 1359 CG HIS A 86 0.986 2.950 16.370 1.00 1.33 C ATOM 1360 ND1 HIS A 86 1.982 2.477 17.183 1.00 50.33 N ATOM 1361 CD2 HIS A 86 1.412 2.728 15.102 1.00 74.24 C ATOM 1362 CE1 HIS A 86 2.959 1.996 16.449 1.00 63.44 C ATOM 1363 NE2 HIS A 86 2.639 2.133 15.184 1.00 12.12 N ATOM 0 H HIS A 86 -2.454 4.729 17.317 1.00 42.24 H new ATOM 0 HA HIS A 86 -1.406 3.483 15.075 1.00 2.21 H new ATOM 0 HB2 HIS A 86 -0.130 4.694 16.852 1.00 62.14 H new ATOM 0 HB3 HIS A 86 -0.390 3.346 17.941 1.00 62.14 H new ATOM 0 HD1 HIS A 86 1.967 2.496 18.203 1.00 50.33 H new ATOM 0 HD2 HIS A 86 0.880 2.976 14.195 1.00 74.24 H new ATOM 0 HE1 HIS A 86 3.873 1.560 16.824 1.00 63.44 H new ATOM 1372 N LEU A 87 -2.581 1.298 17.188 1.00 23.42 N ATOM 1373 CA LEU A 87 -2.928 -0.116 17.306 1.00 63.32 C ATOM 1374 C LEU A 87 -3.906 -0.560 16.223 1.00 25.51 C ATOM 1375 O LEU A 87 -3.858 -1.699 15.774 1.00 24.31 O ATOM 1376 CB LEU A 87 -3.489 -0.460 18.692 1.00 35.22 C ATOM 1377 CG LEU A 87 -2.525 -0.350 19.873 1.00 22.35 C ATOM 1378 CD1 LEU A 87 -3.240 -0.708 21.165 1.00 2.35 C ATOM 1379 CD2 LEU A 87 -1.326 -1.265 19.668 1.00 51.05 C ATOM 0 H LEU A 87 -2.960 1.894 17.924 1.00 23.42 H new ATOM 0 HA LEU A 87 -1.996 -0.664 17.170 1.00 63.32 H new ATOM 0 HB2 LEU A 87 -4.340 0.194 18.886 1.00 35.22 H new ATOM 0 HB3 LEU A 87 -3.872 -1.480 18.660 1.00 35.22 H new ATOM 0 HG LEU A 87 -2.170 0.679 19.938 1.00 22.35 H new ATOM 0 HD11 LEU A 87 -2.545 -0.627 22.000 1.00 2.35 H new ATOM 0 HD12 LEU A 87 -4.075 -0.025 21.320 1.00 2.35 H new ATOM 0 HD13 LEU A 87 -3.614 -1.730 21.103 1.00 2.35 H new ATOM 0 HD21 LEU A 87 -0.650 -1.174 20.518 1.00 51.05 H new ATOM 0 HD22 LEU A 87 -1.666 -2.297 19.583 1.00 51.05 H new ATOM 0 HD23 LEU A 87 -0.802 -0.980 18.756 1.00 51.05 H new ATOM 1391 N GLU A 88 -4.759 0.346 15.778 1.00 42.32 N ATOM 1392 CA GLU A 88 -5.788 0.007 14.815 1.00 2.13 C ATOM 1393 C GLU A 88 -5.191 -0.252 13.430 1.00 55.23 C ATOM 1394 O GLU A 88 -5.654 -1.127 12.711 1.00 55.43 O ATOM 1395 CB GLU A 88 -6.907 1.056 14.802 1.00 31.13 C ATOM 1396 CG GLU A 88 -8.078 0.720 13.893 1.00 3.33 C ATOM 1397 CD GLU A 88 -9.238 1.656 14.094 1.00 44.45 C ATOM 1398 OE1 GLU A 88 -9.251 2.741 13.510 1.00 61.41 O ATOM 1399 OE2 GLU A 88 -10.159 1.314 14.863 1.00 13.04 O ATOM 0 H GLU A 88 -4.758 1.323 16.070 1.00 42.32 H new ATOM 0 HA GLU A 88 -6.251 -0.929 15.127 1.00 2.13 H new ATOM 0 HB2 GLU A 88 -7.278 1.185 15.819 1.00 31.13 H new ATOM 0 HB3 GLU A 88 -6.487 2.013 14.493 1.00 31.13 H new ATOM 0 HG2 GLU A 88 -7.753 0.764 12.853 1.00 3.33 H new ATOM 0 HG3 GLU A 88 -8.402 -0.303 14.083 1.00 3.33 H new ATOM 1406 N LEU A 89 -4.130 0.481 13.091 1.00 52.41 N ATOM 1407 CA LEU A 89 -3.391 0.265 11.824 1.00 22.20 C ATOM 1408 C LEU A 89 -2.874 -1.172 11.766 1.00 73.20 C ATOM 1409 O LEU A 89 -2.953 -1.852 10.735 1.00 44.15 O ATOM 1410 CB LEU A 89 -2.180 1.231 11.699 1.00 33.41 C ATOM 1411 CG LEU A 89 -2.436 2.738 11.454 1.00 11.40 C ATOM 1412 CD1 LEU A 89 -3.119 2.984 10.146 1.00 63.03 C ATOM 1413 CD2 LEU A 89 -3.199 3.394 12.566 1.00 13.30 C ATOM 0 H LEU A 89 -3.755 1.233 13.669 1.00 52.41 H new ATOM 0 HA LEU A 89 -4.081 0.458 11.003 1.00 22.20 H new ATOM 0 HB2 LEU A 89 -1.594 1.143 12.614 1.00 33.41 H new ATOM 0 HB3 LEU A 89 -1.554 0.868 10.884 1.00 33.41 H new ATOM 0 HG LEU A 89 -1.448 3.197 11.423 1.00 11.40 H new ATOM 0 HD11 LEU A 89 -3.279 4.054 10.015 1.00 63.03 H new ATOM 0 HD12 LEU A 89 -2.496 2.608 9.334 1.00 63.03 H new ATOM 0 HD13 LEU A 89 -4.080 2.469 10.135 1.00 63.03 H new ATOM 0 HD21 LEU A 89 -3.346 4.449 12.334 1.00 13.30 H new ATOM 0 HD22 LEU A 89 -4.169 2.909 12.678 1.00 13.30 H new ATOM 0 HD23 LEU A 89 -2.638 3.302 13.496 1.00 13.30 H new ATOM 1425 N LYS A 90 -2.371 -1.621 12.898 1.00 50.03 N ATOM 1426 CA LYS A 90 -1.816 -2.949 13.045 1.00 21.12 C ATOM 1427 C LYS A 90 -2.909 -3.985 12.982 1.00 42.05 C ATOM 1428 O LYS A 90 -2.730 -5.056 12.414 1.00 75.31 O ATOM 1429 CB LYS A 90 -1.133 -3.036 14.367 1.00 52.53 C ATOM 1430 CG LYS A 90 -0.026 -2.040 14.511 1.00 73.43 C ATOM 1431 CD LYS A 90 0.493 -2.014 15.917 1.00 74.31 C ATOM 1432 CE LYS A 90 1.229 -3.311 16.262 1.00 51.33 C ATOM 1433 NZ LYS A 90 1.779 -3.304 17.632 1.00 41.10 N ATOM 0 H LYS A 90 -2.336 -1.065 13.753 1.00 50.03 H new ATOM 0 HA LYS A 90 -1.109 -3.136 12.237 1.00 21.12 H new ATOM 0 HB2 LYS A 90 -1.864 -2.878 15.160 1.00 52.53 H new ATOM 0 HB3 LYS A 90 -0.732 -4.041 14.499 1.00 52.53 H new ATOM 0 HG2 LYS A 90 0.784 -2.289 13.825 1.00 73.43 H new ATOM 0 HG3 LYS A 90 -0.385 -1.049 14.234 1.00 73.43 H new ATOM 0 HD2 LYS A 90 1.167 -1.166 16.043 1.00 74.31 H new ATOM 0 HD3 LYS A 90 -0.335 -1.868 16.610 1.00 74.31 H new ATOM 0 HE2 LYS A 90 0.545 -4.153 16.153 1.00 51.33 H new ATOM 0 HE3 LYS A 90 2.040 -3.465 15.550 1.00 51.33 H new ATOM 0 HZ1 LYS A 90 2.267 -4.204 17.815 1.00 41.10 H new ATOM 0 HZ2 LYS A 90 2.453 -2.518 17.731 1.00 41.10 H new ATOM 0 HZ3 LYS A 90 1.005 -3.185 18.316 1.00 41.10 H new ATOM 1447 N LYS A 91 -4.054 -3.640 13.556 1.00 22.20 N ATOM 1448 CA LYS A 91 -5.247 -4.529 13.524 1.00 52.42 C ATOM 1449 C LYS A 91 -5.661 -4.791 12.088 1.00 33.34 C ATOM 1450 O LYS A 91 -6.052 -5.914 11.727 1.00 72.11 O ATOM 1451 CB LYS A 91 -6.467 -3.887 14.210 1.00 42.22 C ATOM 1452 CG LYS A 91 -6.377 -3.625 15.693 1.00 20.45 C ATOM 1453 CD LYS A 91 -7.680 -2.978 16.166 1.00 35.10 C ATOM 1454 CE LYS A 91 -7.678 -2.676 17.646 1.00 45.23 C ATOM 1455 NZ LYS A 91 -7.592 -3.902 18.469 1.00 3.23 N ATOM 0 H LYS A 91 -4.199 -2.760 14.051 1.00 22.20 H new ATOM 0 HA LYS A 91 -4.961 -5.443 14.045 1.00 52.42 H new ATOM 0 HB2 LYS A 91 -6.671 -2.939 13.713 1.00 42.22 H new ATOM 0 HB3 LYS A 91 -7.329 -4.531 14.034 1.00 42.22 H new ATOM 0 HG2 LYS A 91 -6.204 -4.558 16.230 1.00 20.45 H new ATOM 0 HG3 LYS A 91 -5.532 -2.971 15.909 1.00 20.45 H new ATOM 0 HD2 LYS A 91 -7.844 -2.054 15.611 1.00 35.10 H new ATOM 0 HD3 LYS A 91 -8.514 -3.641 15.936 1.00 35.10 H new ATOM 0 HE2 LYS A 91 -6.837 -2.024 17.880 1.00 45.23 H new ATOM 0 HE3 LYS A 91 -8.586 -2.130 17.904 1.00 45.23 H new ATOM 0 HZ1 LYS A 91 -7.713 -3.656 19.472 1.00 3.23 H new ATOM 0 HZ2 LYS A 91 -8.340 -4.566 18.183 1.00 3.23 H new ATOM 0 HZ3 LYS A 91 -6.663 -4.348 18.332 1.00 3.23 H new ATOM 1469 N LEU A 92 -5.578 -3.756 11.280 1.00 44.12 N ATOM 1470 CA LEU A 92 -5.966 -3.818 9.891 1.00 43.32 C ATOM 1471 C LEU A 92 -5.062 -4.756 9.130 1.00 54.44 C ATOM 1472 O LEU A 92 -5.527 -5.669 8.439 1.00 12.13 O ATOM 1473 CB LEU A 92 -5.899 -2.428 9.265 1.00 32.42 C ATOM 1474 CG LEU A 92 -6.701 -1.336 9.960 1.00 32.44 C ATOM 1475 CD1 LEU A 92 -6.614 -0.032 9.200 1.00 33.41 C ATOM 1476 CD2 LEU A 92 -8.137 -1.749 10.154 1.00 41.21 C ATOM 0 H LEU A 92 -5.236 -2.841 11.573 1.00 44.12 H new ATOM 0 HA LEU A 92 -6.989 -4.191 9.838 1.00 43.32 H new ATOM 0 HB2 LEU A 92 -4.855 -2.117 9.232 1.00 32.42 H new ATOM 0 HB3 LEU A 92 -6.242 -2.501 8.233 1.00 32.42 H new ATOM 0 HG LEU A 92 -6.263 -1.183 10.946 1.00 32.44 H new ATOM 0 HD11 LEU A 92 -7.196 0.731 9.718 1.00 33.41 H new ATOM 0 HD12 LEU A 92 -5.573 0.285 9.139 1.00 33.41 H new ATOM 0 HD13 LEU A 92 -7.011 -0.170 8.194 1.00 33.41 H new ATOM 0 HD21 LEU A 92 -8.682 -0.947 10.653 1.00 41.21 H new ATOM 0 HD22 LEU A 92 -8.592 -1.949 9.184 1.00 41.21 H new ATOM 0 HD23 LEU A 92 -8.177 -2.650 10.766 1.00 41.21 H new ATOM 1488 N ILE A 93 -3.775 -4.540 9.266 1.00 3.24 N ATOM 1489 CA ILE A 93 -2.806 -5.351 8.580 1.00 22.12 C ATOM 1490 C ILE A 93 -2.760 -6.772 9.136 1.00 23.44 C ATOM 1491 O ILE A 93 -2.530 -7.728 8.391 1.00 41.45 O ATOM 1492 CB ILE A 93 -1.406 -4.681 8.537 1.00 10.31 C ATOM 1493 CG1 ILE A 93 -1.505 -3.379 7.723 1.00 31.40 C ATOM 1494 CG2 ILE A 93 -0.359 -5.618 7.947 1.00 43.40 C ATOM 1495 CD1 ILE A 93 -0.187 -2.673 7.485 1.00 30.04 C ATOM 0 H ILE A 93 -3.376 -3.804 9.850 1.00 3.24 H new ATOM 0 HA ILE A 93 -3.134 -5.433 7.544 1.00 22.12 H new ATOM 0 HB ILE A 93 -1.087 -4.452 9.554 1.00 10.31 H new ATOM 0 HG12 ILE A 93 -1.959 -3.605 6.758 1.00 31.40 H new ATOM 0 HG13 ILE A 93 -2.178 -2.695 8.240 1.00 31.40 H new ATOM 0 HG21 ILE A 93 0.609 -5.118 7.931 1.00 43.40 H new ATOM 0 HG22 ILE A 93 -0.292 -6.519 8.557 1.00 43.40 H new ATOM 0 HG23 ILE A 93 -0.644 -5.888 6.930 1.00 43.40 H new ATOM 0 HD11 ILE A 93 -0.359 -1.767 6.903 1.00 30.04 H new ATOM 0 HD12 ILE A 93 0.263 -2.410 8.442 1.00 30.04 H new ATOM 0 HD13 ILE A 93 0.486 -3.333 6.938 1.00 30.04 H new ATOM 1507 N GLY A 94 -3.010 -6.915 10.423 1.00 75.11 N ATOM 1508 CA GLY A 94 -3.074 -8.229 11.036 1.00 51.44 C ATOM 1509 C GLY A 94 -4.172 -9.072 10.436 1.00 61.42 C ATOM 1510 O GLY A 94 -3.981 -10.241 10.170 1.00 25.35 O ATOM 0 H GLY A 94 -3.172 -6.139 11.065 1.00 75.11 H new ATOM 0 HA2 GLY A 94 -2.117 -8.736 10.911 1.00 51.44 H new ATOM 0 HA3 GLY A 94 -3.241 -8.123 12.108 1.00 51.44 H new ATOM 1514 N GLU A 95 -5.305 -8.456 10.185 1.00 74.33 N ATOM 1515 CA GLU A 95 -6.450 -9.135 9.593 1.00 12.54 C ATOM 1516 C GLU A 95 -6.120 -9.560 8.135 1.00 15.30 C ATOM 1517 O GLU A 95 -6.533 -10.633 7.666 1.00 34.22 O ATOM 1518 CB GLU A 95 -7.652 -8.180 9.647 1.00 51.24 C ATOM 1519 CG GLU A 95 -8.986 -8.745 9.190 1.00 63.41 C ATOM 1520 CD GLU A 95 -9.429 -9.960 9.985 1.00 14.32 C ATOM 1521 OE1 GLU A 95 -9.433 -9.907 11.226 1.00 54.31 O ATOM 1522 OE2 GLU A 95 -9.756 -10.991 9.380 1.00 4.23 O ATOM 0 H GLU A 95 -5.465 -7.468 10.384 1.00 74.33 H new ATOM 0 HA GLU A 95 -6.691 -10.043 10.147 1.00 12.54 H new ATOM 0 HB2 GLU A 95 -7.763 -7.829 10.673 1.00 51.24 H new ATOM 0 HB3 GLU A 95 -7.423 -7.308 9.035 1.00 51.24 H new ATOM 0 HG2 GLU A 95 -9.748 -7.969 9.271 1.00 63.41 H new ATOM 0 HG3 GLU A 95 -8.916 -9.015 8.136 1.00 63.41 H new ATOM 1529 N VAL A 96 -5.347 -8.726 7.455 1.00 52.13 N ATOM 1530 CA VAL A 96 -4.923 -8.974 6.078 1.00 3.25 C ATOM 1531 C VAL A 96 -3.803 -10.030 5.977 1.00 53.34 C ATOM 1532 O VAL A 96 -3.890 -10.977 5.180 1.00 41.15 O ATOM 1533 CB VAL A 96 -4.450 -7.653 5.403 1.00 62.52 C ATOM 1534 CG1 VAL A 96 -3.702 -7.923 4.124 1.00 32.14 C ATOM 1535 CG2 VAL A 96 -5.621 -6.779 5.081 1.00 63.55 C ATOM 0 H VAL A 96 -4.992 -7.852 7.842 1.00 52.13 H new ATOM 0 HA VAL A 96 -5.795 -9.367 5.556 1.00 3.25 H new ATOM 0 HB VAL A 96 -3.788 -7.155 6.111 1.00 62.52 H new ATOM 0 HG11 VAL A 96 -3.387 -6.978 3.680 1.00 32.14 H new ATOM 0 HG12 VAL A 96 -2.825 -8.534 4.337 1.00 32.14 H new ATOM 0 HG13 VAL A 96 -4.352 -8.452 3.427 1.00 32.14 H new ATOM 0 HG21 VAL A 96 -5.271 -5.861 4.610 1.00 63.55 H new ATOM 0 HG22 VAL A 96 -6.290 -7.304 4.400 1.00 63.55 H new ATOM 0 HG23 VAL A 96 -6.156 -6.535 5.999 1.00 63.55 H new ATOM 1545 N SER A 97 -2.785 -9.886 6.784 1.00 21.31 N ATOM 1546 CA SER A 97 -1.621 -10.749 6.694 1.00 61.14 C ATOM 1547 C SER A 97 -1.738 -11.958 7.615 1.00 50.52 C ATOM 1548 O SER A 97 -0.843 -12.788 7.671 1.00 15.23 O ATOM 1549 CB SER A 97 -0.350 -9.948 6.998 1.00 14.00 C ATOM 1550 OG SER A 97 -0.410 -9.358 8.292 1.00 71.33 O ATOM 0 H SER A 97 -2.732 -9.178 7.516 1.00 21.31 H new ATOM 0 HA SER A 97 -1.563 -11.131 5.675 1.00 61.14 H new ATOM 0 HB2 SER A 97 0.519 -10.602 6.934 1.00 14.00 H new ATOM 0 HB3 SER A 97 -0.219 -9.170 6.246 1.00 14.00 H new ATOM 0 HG SER A 97 -0.943 -8.537 8.253 1.00 71.33 H new ATOM 1556 N SER A 98 -2.856 -12.041 8.318 1.00 15.32 N ATOM 1557 CA SER A 98 -3.183 -13.110 9.266 1.00 2.34 C ATOM 1558 C SER A 98 -2.213 -13.218 10.471 1.00 54.22 C ATOM 1559 O SER A 98 -2.575 -12.839 11.591 1.00 3.33 O ATOM 1560 CB SER A 98 -3.496 -14.473 8.576 1.00 50.34 C ATOM 1561 OG SER A 98 -2.449 -14.910 7.708 1.00 10.35 O ATOM 0 H SER A 98 -3.594 -11.341 8.246 1.00 15.32 H new ATOM 0 HA SER A 98 -4.124 -12.799 9.719 1.00 2.34 H new ATOM 0 HB2 SER A 98 -3.667 -15.231 9.341 1.00 50.34 H new ATOM 0 HB3 SER A 98 -4.420 -14.382 8.005 1.00 50.34 H new ATOM 0 HG SER A 98 -1.646 -14.371 7.867 1.00 10.35 H new ATOM 1567 N GLY A 99 -0.995 -13.690 10.242 1.00 0.41 N ATOM 1568 CA GLY A 99 -0.065 -13.864 11.330 1.00 41.34 C ATOM 1569 C GLY A 99 1.047 -12.830 11.361 1.00 72.41 C ATOM 1570 O GLY A 99 1.631 -12.591 12.420 1.00 54.25 O ATOM 0 H GLY A 99 -0.639 -13.954 9.323 1.00 0.41 H new ATOM 0 HA2 GLY A 99 -0.612 -13.824 12.272 1.00 41.34 H new ATOM 0 HA3 GLY A 99 0.378 -14.858 11.261 1.00 41.34 H new ATOM 1574 N SER A 100 1.345 -12.218 10.216 1.00 63.14 N ATOM 1575 CA SER A 100 2.425 -11.234 10.126 1.00 44.34 C ATOM 1576 C SER A 100 2.126 -10.000 11.007 1.00 4.14 C ATOM 1577 O SER A 100 2.859 -9.716 11.962 1.00 43.03 O ATOM 1578 CB SER A 100 2.645 -10.849 8.677 1.00 12.05 C ATOM 1579 OG SER A 100 2.829 -12.015 7.883 1.00 61.25 O ATOM 0 H SER A 100 0.855 -12.385 9.337 1.00 63.14 H new ATOM 0 HA SER A 100 3.345 -11.679 10.506 1.00 44.34 H new ATOM 0 HB2 SER A 100 1.790 -10.281 8.310 1.00 12.05 H new ATOM 0 HB3 SER A 100 3.518 -10.201 8.593 1.00 12.05 H new ATOM 0 HG SER A 100 2.969 -11.756 6.948 1.00 61.25 H new ATOM 1585 N GLY A 101 1.067 -9.271 10.673 1.00 61.25 N ATOM 1586 CA GLY A 101 0.599 -8.199 11.538 1.00 12.24 C ATOM 1587 C GLY A 101 1.209 -6.826 11.311 1.00 70.30 C ATOM 1588 O GLY A 101 0.685 -5.838 11.833 1.00 4.03 O ATOM 0 H GLY A 101 0.523 -9.401 9.820 1.00 61.25 H new ATOM 0 HA2 GLY A 101 -0.482 -8.115 11.422 1.00 12.24 H new ATOM 0 HA3 GLY A 101 0.787 -8.489 12.572 1.00 12.24 H new ATOM 1592 N GLU A 102 2.287 -6.724 10.560 1.00 41.41 N ATOM 1593 CA GLU A 102 2.922 -5.412 10.393 1.00 13.12 C ATOM 1594 C GLU A 102 3.085 -4.984 8.942 1.00 44.52 C ATOM 1595 O GLU A 102 3.218 -3.803 8.665 1.00 45.11 O ATOM 1596 CB GLU A 102 4.252 -5.317 11.150 1.00 33.25 C ATOM 1597 CG GLU A 102 4.115 -5.469 12.660 1.00 32.33 C ATOM 1598 CD GLU A 102 5.438 -5.407 13.374 1.00 22.05 C ATOM 1599 OE1 GLU A 102 6.120 -6.453 13.452 1.00 4.03 O ATOM 1600 OE2 GLU A 102 5.811 -4.324 13.882 1.00 31.02 O ATOM 0 H GLU A 102 2.736 -7.496 10.068 1.00 41.41 H new ATOM 0 HA GLU A 102 2.225 -4.703 10.839 1.00 13.12 H new ATOM 0 HB2 GLU A 102 4.927 -6.087 10.777 1.00 33.25 H new ATOM 0 HB3 GLU A 102 4.715 -4.355 10.932 1.00 33.25 H new ATOM 0 HG2 GLU A 102 3.464 -4.683 13.042 1.00 32.33 H new ATOM 0 HG3 GLU A 102 3.631 -6.420 12.883 1.00 32.33 H new ATOM 1607 N THR A 103 3.112 -5.919 8.028 1.00 14.11 N ATOM 1608 CA THR A 103 3.213 -5.589 6.624 1.00 10.43 C ATOM 1609 C THR A 103 2.283 -6.499 5.791 1.00 22.32 C ATOM 1610 O THR A 103 2.148 -7.693 6.089 1.00 35.22 O ATOM 1611 CB THR A 103 4.682 -5.726 6.151 1.00 73.33 C ATOM 1612 OG1 THR A 103 5.532 -4.937 7.010 1.00 2.14 O ATOM 1613 CG2 THR A 103 4.830 -5.215 4.743 1.00 62.23 C ATOM 0 H THR A 103 3.066 -6.918 8.228 1.00 14.11 H new ATOM 0 HA THR A 103 2.898 -4.556 6.480 1.00 10.43 H new ATOM 0 HB THR A 103 4.964 -6.778 6.189 1.00 73.33 H new ATOM 0 HG1 THR A 103 6.463 -5.021 6.716 1.00 2.14 H new ATOM 0 HG21 THR A 103 5.868 -5.318 4.426 1.00 62.23 H new ATOM 0 HG22 THR A 103 4.188 -5.792 4.077 1.00 62.23 H new ATOM 0 HG23 THR A 103 4.542 -4.164 4.705 1.00 62.23 H new ATOM 1621 N PHE A 104 1.611 -5.925 4.789 1.00 52.31 N ATOM 1622 CA PHE A 104 0.718 -6.689 3.927 1.00 24.25 C ATOM 1623 C PHE A 104 1.202 -6.665 2.487 1.00 3.33 C ATOM 1624 O PHE A 104 2.102 -5.893 2.136 1.00 41.04 O ATOM 1625 CB PHE A 104 -0.742 -6.172 3.989 1.00 50.31 C ATOM 1626 CG PHE A 104 -0.995 -4.779 3.444 1.00 22.42 C ATOM 1627 CD1 PHE A 104 -0.913 -3.677 4.261 1.00 54.35 C ATOM 1628 CD2 PHE A 104 -1.349 -4.590 2.113 1.00 42.32 C ATOM 1629 CE1 PHE A 104 -1.173 -2.411 3.777 1.00 53.33 C ATOM 1630 CE2 PHE A 104 -1.602 -3.327 1.620 1.00 53.22 C ATOM 1631 CZ PHE A 104 -1.517 -2.235 2.454 1.00 41.52 C ATOM 0 H PHE A 104 1.672 -4.933 4.558 1.00 52.31 H new ATOM 0 HA PHE A 104 0.730 -7.714 4.298 1.00 24.25 H new ATOM 0 HB2 PHE A 104 -1.374 -6.871 3.442 1.00 50.31 H new ATOM 0 HB3 PHE A 104 -1.067 -6.195 5.029 1.00 50.31 H new ATOM 0 HD1 PHE A 104 -0.641 -3.804 5.298 1.00 54.35 H new ATOM 0 HD2 PHE A 104 -1.427 -5.444 1.456 1.00 42.32 H new ATOM 0 HE1 PHE A 104 -1.107 -1.557 4.435 1.00 53.33 H new ATOM 0 HE2 PHE A 104 -1.866 -3.195 0.581 1.00 53.22 H new ATOM 0 HZ PHE A 104 -1.719 -1.245 2.073 1.00 41.52 H new ATOM 1641 N SER A 105 0.606 -7.497 1.663 1.00 5.44 N ATOM 1642 CA SER A 105 0.920 -7.548 0.259 1.00 54.33 C ATOM 1643 C SER A 105 -0.371 -7.489 -0.570 1.00 30.52 C ATOM 1644 O SER A 105 -1.476 -7.644 -0.029 1.00 53.43 O ATOM 1645 CB SER A 105 1.723 -8.802 -0.065 1.00 40.44 C ATOM 1646 OG SER A 105 2.940 -8.828 0.669 1.00 70.30 O ATOM 0 H SER A 105 -0.113 -8.159 1.953 1.00 5.44 H new ATOM 0 HA SER A 105 1.533 -6.684 0.002 1.00 54.33 H new ATOM 0 HB2 SER A 105 1.133 -9.688 0.170 1.00 40.44 H new ATOM 0 HB3 SER A 105 1.937 -8.836 -1.133 1.00 40.44 H new ATOM 0 HG SER A 105 3.439 -9.642 0.447 1.00 70.30 H new ATOM 1652 N TYR A 106 -0.215 -7.275 -1.867 1.00 55.13 N ATOM 1653 CA TYR A 106 -1.318 -7.074 -2.814 1.00 53.43 C ATOM 1654 C TYR A 106 -2.346 -8.242 -2.793 1.00 61.32 C ATOM 1655 O TYR A 106 -3.535 -8.003 -2.566 1.00 44.13 O ATOM 1656 CB TYR A 106 -0.721 -6.856 -4.219 1.00 62.10 C ATOM 1657 CG TYR A 106 -1.630 -6.235 -5.262 1.00 11.14 C ATOM 1658 CD1 TYR A 106 -2.517 -6.980 -6.003 1.00 62.31 C ATOM 1659 CD2 TYR A 106 -1.540 -4.889 -5.520 1.00 72.15 C ATOM 1660 CE1 TYR A 106 -3.299 -6.384 -6.986 1.00 73.51 C ATOM 1661 CE2 TYR A 106 -2.300 -4.272 -6.476 1.00 24.25 C ATOM 1662 CZ TYR A 106 -3.184 -5.027 -7.220 1.00 45.12 C ATOM 1663 OH TYR A 106 -3.951 -4.433 -8.189 1.00 1.44 O ATOM 0 H TYR A 106 0.703 -7.234 -2.309 1.00 55.13 H new ATOM 0 HA TYR A 106 -1.884 -6.191 -2.515 1.00 53.43 H new ATOM 0 HB2 TYR A 106 0.161 -6.224 -4.118 1.00 62.10 H new ATOM 0 HB3 TYR A 106 -0.381 -7.820 -4.596 1.00 62.10 H new ATOM 0 HD1 TYR A 106 -2.607 -8.040 -5.819 1.00 62.31 H new ATOM 0 HD2 TYR A 106 -0.843 -4.295 -4.947 1.00 72.15 H new ATOM 0 HE1 TYR A 106 -3.992 -6.978 -7.563 1.00 73.51 H new ATOM 0 HE2 TYR A 106 -2.209 -3.209 -6.646 1.00 24.25 H new ATOM 0 HH TYR A 106 -4.628 -5.067 -8.504 1.00 1.44 H new ATOM 1673 N PRO A 107 -1.920 -9.535 -2.997 1.00 71.42 N ATOM 1674 CA PRO A 107 -2.855 -10.662 -2.949 1.00 32.34 C ATOM 1675 C PRO A 107 -3.419 -10.875 -1.540 1.00 14.33 C ATOM 1676 O PRO A 107 -4.551 -11.310 -1.379 1.00 72.50 O ATOM 1677 CB PRO A 107 -2.007 -11.865 -3.380 1.00 62.33 C ATOM 1678 CG PRO A 107 -0.607 -11.464 -3.079 1.00 51.11 C ATOM 1679 CD PRO A 107 -0.540 -9.993 -3.318 1.00 23.33 C ATOM 0 HA PRO A 107 -3.723 -10.499 -3.588 1.00 32.34 H new ATOM 0 HB2 PRO A 107 -2.288 -12.765 -2.833 1.00 62.33 H new ATOM 0 HB3 PRO A 107 -2.138 -12.083 -4.440 1.00 62.33 H new ATOM 0 HG2 PRO A 107 -0.345 -11.704 -2.048 1.00 51.11 H new ATOM 0 HG3 PRO A 107 0.097 -11.996 -3.719 1.00 51.11 H new ATOM 0 HD2 PRO A 107 0.202 -9.514 -2.679 1.00 23.33 H new ATOM 0 HD3 PRO A 107 -0.269 -9.764 -4.349 1.00 23.33 H new ATOM 1687 N ASP A 108 -2.628 -10.529 -0.530 1.00 32.30 N ATOM 1688 CA ASP A 108 -3.025 -10.667 0.875 1.00 0.11 C ATOM 1689 C ASP A 108 -4.136 -9.715 1.220 1.00 45.24 C ATOM 1690 O ASP A 108 -5.065 -10.070 1.950 1.00 71.41 O ATOM 1691 CB ASP A 108 -1.830 -10.463 1.820 1.00 52.03 C ATOM 1692 CG ASP A 108 -0.784 -11.557 1.705 1.00 62.40 C ATOM 1693 OD1 ASP A 108 0.067 -11.495 0.797 1.00 55.44 O ATOM 1694 OD2 ASP A 108 -0.805 -12.493 2.529 1.00 51.42 O ATOM 0 H ASP A 108 -1.692 -10.144 -0.658 1.00 32.30 H new ATOM 0 HA ASP A 108 -3.391 -11.685 1.010 1.00 0.11 H new ATOM 0 HB2 ASP A 108 -1.365 -9.501 1.605 1.00 52.03 H new ATOM 0 HB3 ASP A 108 -2.191 -10.421 2.848 1.00 52.03 H new ATOM 1699 N PHE A 109 -4.059 -8.515 0.691 1.00 54.21 N ATOM 1700 CA PHE A 109 -5.079 -7.519 0.918 1.00 21.15 C ATOM 1701 C PHE A 109 -6.355 -7.986 0.219 1.00 62.14 C ATOM 1702 O PHE A 109 -7.459 -7.852 0.752 1.00 32.44 O ATOM 1703 CB PHE A 109 -4.610 -6.171 0.372 1.00 12.34 C ATOM 1704 CG PHE A 109 -5.428 -4.974 0.800 1.00 24.21 C ATOM 1705 CD1 PHE A 109 -6.673 -4.720 0.259 1.00 71.10 C ATOM 1706 CD2 PHE A 109 -4.929 -4.096 1.742 1.00 51.44 C ATOM 1707 CE1 PHE A 109 -7.402 -3.616 0.649 1.00 3.14 C ATOM 1708 CE2 PHE A 109 -5.649 -2.990 2.131 1.00 73.44 C ATOM 1709 CZ PHE A 109 -6.889 -2.749 1.584 1.00 54.12 C ATOM 0 H PHE A 109 -3.292 -8.204 0.095 1.00 54.21 H new ATOM 0 HA PHE A 109 -5.275 -7.395 1.983 1.00 21.15 H new ATOM 0 HB2 PHE A 109 -3.577 -6.013 0.682 1.00 12.34 H new ATOM 0 HB3 PHE A 109 -4.612 -6.219 -0.717 1.00 12.34 H new ATOM 0 HD1 PHE A 109 -7.081 -5.395 -0.479 1.00 71.10 H new ATOM 0 HD2 PHE A 109 -3.959 -4.280 2.180 1.00 51.44 H new ATOM 0 HE1 PHE A 109 -8.376 -3.433 0.220 1.00 3.14 H new ATOM 0 HE2 PHE A 109 -5.241 -2.311 2.865 1.00 73.44 H new ATOM 0 HZ PHE A 109 -7.457 -1.882 1.888 1.00 54.12 H new ATOM 1719 N LEU A 110 -6.189 -8.570 -0.965 1.00 70.34 N ATOM 1720 CA LEU A 110 -7.291 -9.127 -1.691 1.00 54.13 C ATOM 1721 C LEU A 110 -7.911 -10.296 -0.947 1.00 11.01 C ATOM 1722 O LEU A 110 -9.111 -10.414 -0.928 1.00 30.54 O ATOM 1723 CB LEU A 110 -6.897 -9.479 -3.129 1.00 1.31 C ATOM 1724 CG LEU A 110 -6.583 -8.272 -4.024 1.00 53.33 C ATOM 1725 CD1 LEU A 110 -6.103 -8.707 -5.400 1.00 14.45 C ATOM 1726 CD2 LEU A 110 -7.812 -7.383 -4.156 1.00 31.40 C ATOM 0 H LEU A 110 -5.287 -8.662 -1.432 1.00 70.34 H new ATOM 0 HA LEU A 110 -8.064 -8.362 -1.764 1.00 54.13 H new ATOM 0 HB2 LEU A 110 -6.024 -10.131 -3.102 1.00 1.31 H new ATOM 0 HB3 LEU A 110 -7.707 -10.050 -3.583 1.00 1.31 H new ATOM 0 HG LEU A 110 -5.779 -7.708 -3.552 1.00 53.33 H new ATOM 0 HD11 LEU A 110 -5.890 -7.827 -6.006 1.00 14.45 H new ATOM 0 HD12 LEU A 110 -5.197 -9.304 -5.297 1.00 14.45 H new ATOM 0 HD13 LEU A 110 -6.877 -9.302 -5.884 1.00 14.45 H new ATOM 0 HD21 LEU A 110 -7.577 -6.530 -4.793 1.00 31.40 H new ATOM 0 HD22 LEU A 110 -8.628 -7.954 -4.600 1.00 31.40 H new ATOM 0 HD23 LEU A 110 -8.112 -7.028 -3.170 1.00 31.40 H new ATOM 1738 N ARG A 111 -7.085 -11.130 -0.290 1.00 51.14 N ATOM 1739 CA ARG A 111 -7.595 -12.254 0.544 1.00 64.30 C ATOM 1740 C ARG A 111 -8.597 -11.736 1.557 1.00 54.13 C ATOM 1741 O ARG A 111 -9.565 -12.402 1.896 1.00 2.31 O ATOM 1742 CB ARG A 111 -6.465 -12.965 1.308 1.00 22.25 C ATOM 1743 CG ARG A 111 -5.446 -13.675 0.449 1.00 4.41 C ATOM 1744 CD ARG A 111 -4.379 -14.329 1.310 1.00 55.22 C ATOM 1745 NE ARG A 111 -3.373 -15.029 0.506 1.00 72.43 N ATOM 1746 CZ ARG A 111 -2.274 -15.618 0.997 1.00 11.02 C ATOM 1747 NH1 ARG A 111 -2.011 -15.567 2.294 1.00 30.02 N ATOM 1748 NH2 ARG A 111 -1.443 -16.255 0.187 1.00 64.32 N ATOM 0 H ARG A 111 -6.068 -11.055 -0.314 1.00 51.14 H new ATOM 0 HA ARG A 111 -8.062 -12.966 -0.136 1.00 64.30 H new ATOM 0 HB2 ARG A 111 -5.947 -12.229 1.923 1.00 22.25 H new ATOM 0 HB3 ARG A 111 -6.911 -13.691 1.988 1.00 22.25 H new ATOM 0 HG2 ARG A 111 -5.941 -14.430 -0.161 1.00 4.41 H new ATOM 0 HG3 ARG A 111 -4.983 -12.965 -0.236 1.00 4.41 H new ATOM 0 HD2 ARG A 111 -3.890 -13.569 1.920 1.00 55.22 H new ATOM 0 HD3 ARG A 111 -4.849 -15.034 1.996 1.00 55.22 H new ATOM 0 HE ARG A 111 -3.520 -15.071 -0.502 1.00 72.43 H new ATOM 0 HH11 ARG A 111 -2.646 -15.078 2.924 1.00 30.02 H new ATOM 0 HH12 ARG A 111 -1.173 -16.017 2.663 1.00 30.02 H new ATOM 0 HH21 ARG A 111 -1.639 -16.298 -0.813 1.00 64.32 H new ATOM 0 HH22 ARG A 111 -0.607 -16.703 0.563 1.00 64.32 H new ATOM 1762 N MET A 112 -8.335 -10.558 2.041 1.00 50.52 N ATOM 1763 CA MET A 112 -9.198 -9.888 2.971 1.00 10.42 C ATOM 1764 C MET A 112 -10.461 -9.343 2.253 1.00 52.41 C ATOM 1765 O MET A 112 -11.588 -9.553 2.710 1.00 24.10 O ATOM 1766 CB MET A 112 -8.379 -8.794 3.702 1.00 33.20 C ATOM 1767 CG MET A 112 -9.114 -7.909 4.712 1.00 75.52 C ATOM 1768 SD MET A 112 -10.271 -6.739 3.973 1.00 14.20 S ATOM 1769 CE MET A 112 -9.158 -5.792 2.946 1.00 13.12 C ATOM 0 H MET A 112 -7.500 -10.025 1.797 1.00 50.52 H new ATOM 0 HA MET A 112 -9.570 -10.583 3.724 1.00 10.42 H new ATOM 0 HB2 MET A 112 -7.555 -9.283 4.222 1.00 33.20 H new ATOM 0 HB3 MET A 112 -7.938 -8.144 2.946 1.00 33.20 H new ATOM 0 HG2 MET A 112 -9.657 -8.547 5.409 1.00 75.52 H new ATOM 0 HG3 MET A 112 -8.378 -7.355 5.295 1.00 75.52 H new ATOM 0 HE1 MET A 112 -9.629 -4.848 2.673 1.00 13.12 H new ATOM 0 HE2 MET A 112 -8.238 -5.593 3.495 1.00 13.12 H new ATOM 0 HE3 MET A 112 -8.927 -6.357 2.043 1.00 13.12 H new ATOM 1779 N MET A 113 -10.258 -8.678 1.112 1.00 54.45 N ATOM 1780 CA MET A 113 -11.367 -8.068 0.349 1.00 14.34 C ATOM 1781 C MET A 113 -12.301 -9.107 -0.246 1.00 4.40 C ATOM 1782 O MET A 113 -13.489 -9.127 0.045 1.00 53.42 O ATOM 1783 CB MET A 113 -10.842 -7.204 -0.811 1.00 3.25 C ATOM 1784 CG MET A 113 -10.015 -6.008 -0.413 1.00 23.24 C ATOM 1785 SD MET A 113 -9.398 -5.083 -1.838 1.00 54.32 S ATOM 1786 CE MET A 113 -10.921 -4.580 -2.632 1.00 13.32 C ATOM 0 H MET A 113 -9.339 -8.545 0.691 1.00 54.45 H new ATOM 0 HA MET A 113 -11.911 -7.456 1.068 1.00 14.34 H new ATOM 0 HB2 MET A 113 -10.243 -7.835 -1.467 1.00 3.25 H new ATOM 0 HB3 MET A 113 -11.694 -6.856 -1.395 1.00 3.25 H new ATOM 0 HG2 MET A 113 -10.616 -5.347 0.212 1.00 23.24 H new ATOM 0 HG3 MET A 113 -9.172 -6.340 0.193 1.00 23.24 H new ATOM 0 HE1 MET A 113 -10.716 -3.769 -3.331 1.00 13.32 H new ATOM 0 HE2 MET A 113 -11.346 -5.426 -3.172 1.00 13.32 H new ATOM 0 HE3 MET A 113 -11.629 -4.238 -1.877 1.00 13.32 H new ATOM 1796 N LEU A 114 -11.744 -9.974 -1.048 1.00 2.11 N ATOM 1797 CA LEU A 114 -12.506 -10.937 -1.817 1.00 21.35 C ATOM 1798 C LEU A 114 -12.631 -12.278 -1.120 1.00 50.40 C ATOM 1799 O LEU A 114 -13.299 -13.181 -1.608 1.00 51.23 O ATOM 1800 CB LEU A 114 -11.914 -11.055 -3.254 1.00 24.25 C ATOM 1801 CG LEU A 114 -10.388 -11.320 -3.382 1.00 51.35 C ATOM 1802 CD1 LEU A 114 -9.977 -12.704 -2.902 1.00 50.15 C ATOM 1803 CD2 LEU A 114 -9.886 -11.052 -4.788 1.00 72.40 C ATOM 0 H LEU A 114 -10.736 -10.037 -1.192 1.00 2.11 H new ATOM 0 HA LEU A 114 -13.529 -10.570 -1.902 1.00 21.35 H new ATOM 0 HB2 LEU A 114 -12.439 -11.859 -3.769 1.00 24.25 H new ATOM 0 HB3 LEU A 114 -12.141 -10.132 -3.788 1.00 24.25 H new ATOM 0 HG LEU A 114 -9.906 -10.608 -2.712 1.00 51.35 H new ATOM 0 HD11 LEU A 114 -8.900 -12.825 -3.018 1.00 50.15 H new ATOM 0 HD12 LEU A 114 -10.243 -12.819 -1.851 1.00 50.15 H new ATOM 0 HD13 LEU A 114 -10.493 -13.462 -3.492 1.00 50.15 H new ATOM 0 HD21 LEU A 114 -8.815 -11.249 -4.836 1.00 72.40 H new ATOM 0 HD22 LEU A 114 -10.406 -11.703 -5.490 1.00 72.40 H new ATOM 0 HD23 LEU A 114 -10.075 -10.011 -5.050 1.00 72.40 H new ATOM 1815 N GLY A 115 -11.988 -12.402 0.011 1.00 24.20 N ATOM 1816 CA GLY A 115 -12.062 -13.633 0.760 1.00 42.04 C ATOM 1817 C GLY A 115 -12.911 -13.473 1.988 1.00 35.24 C ATOM 1818 O GLY A 115 -13.050 -14.407 2.775 1.00 23.30 O ATOM 0 H GLY A 115 -11.411 -11.674 0.433 1.00 24.20 H new ATOM 0 HA2 GLY A 115 -12.475 -14.421 0.130 1.00 42.04 H new ATOM 0 HA3 GLY A 115 -11.059 -13.948 1.047 1.00 42.04 H new ATOM 1822 N LYS A 116 -13.473 -12.273 2.138 1.00 61.35 N ATOM 1823 CA LYS A 116 -14.334 -11.904 3.262 1.00 4.24 C ATOM 1824 C LYS A 116 -13.592 -11.960 4.613 1.00 13.00 C ATOM 1825 O LYS A 116 -13.511 -13.013 5.260 1.00 54.41 O ATOM 1826 CB LYS A 116 -15.628 -12.747 3.293 1.00 44.42 C ATOM 1827 CG LYS A 116 -16.566 -12.396 4.428 1.00 2.12 C ATOM 1828 CD LYS A 116 -17.787 -13.290 4.451 1.00 50.04 C ATOM 1829 CE LYS A 116 -18.670 -12.971 5.646 1.00 22.34 C ATOM 1830 NZ LYS A 116 -17.964 -13.191 6.929 1.00 11.44 N ATOM 0 H LYS A 116 -13.340 -11.515 1.468 1.00 61.35 H new ATOM 0 HA LYS A 116 -14.623 -10.865 3.103 1.00 4.24 H new ATOM 0 HB2 LYS A 116 -16.155 -12.619 2.347 1.00 44.42 H new ATOM 0 HB3 LYS A 116 -15.361 -13.801 3.369 1.00 44.42 H new ATOM 0 HG2 LYS A 116 -16.036 -12.482 5.376 1.00 2.12 H new ATOM 0 HG3 LYS A 116 -16.879 -11.357 4.331 1.00 2.12 H new ATOM 0 HD2 LYS A 116 -18.355 -13.161 3.529 1.00 50.04 H new ATOM 0 HD3 LYS A 116 -17.477 -14.334 4.491 1.00 50.04 H new ATOM 0 HE2 LYS A 116 -19.000 -11.934 5.587 1.00 22.34 H new ATOM 0 HE3 LYS A 116 -19.565 -13.593 5.613 1.00 22.34 H new ATOM 0 HZ1 LYS A 116 -18.659 -13.263 7.700 1.00 11.44 H new ATOM 0 HZ2 LYS A 116 -17.414 -14.072 6.876 1.00 11.44 H new ATOM 0 HZ3 LYS A 116 -17.323 -12.393 7.114 1.00 11.44 H new ATOM 1844 N ARG A 117 -13.024 -10.840 5.002 1.00 25.40 N ATOM 1845 CA ARG A 117 -12.323 -10.695 6.271 1.00 33.33 C ATOM 1846 C ARG A 117 -12.652 -9.337 6.854 1.00 51.32 C ATOM 1847 O ARG A 117 -12.764 -8.353 6.120 1.00 61.42 O ATOM 1848 CB ARG A 117 -10.805 -10.843 6.090 1.00 64.31 C ATOM 1849 CG ARG A 117 -10.340 -12.226 5.660 1.00 73.34 C ATOM 1850 CD ARG A 117 -10.586 -13.258 6.747 1.00 33.30 C ATOM 1851 NE ARG A 117 -10.264 -14.608 6.290 1.00 60.23 N ATOM 1852 CZ ARG A 117 -9.687 -15.566 7.018 1.00 63.51 C ATOM 1853 NH1 ARG A 117 -9.182 -15.295 8.221 1.00 14.44 N ATOM 1854 NH2 ARG A 117 -9.578 -16.791 6.518 1.00 70.31 N ATOM 0 H ARG A 117 -13.033 -9.988 4.441 1.00 25.40 H new ATOM 0 HA ARG A 117 -12.649 -11.483 6.950 1.00 33.33 H new ATOM 0 HB2 ARG A 117 -10.470 -10.117 5.349 1.00 64.31 H new ATOM 0 HB3 ARG A 117 -10.316 -10.588 7.030 1.00 64.31 H new ATOM 0 HG2 ARG A 117 -10.864 -12.521 4.751 1.00 73.34 H new ATOM 0 HG3 ARG A 117 -9.277 -12.195 5.419 1.00 73.34 H new ATOM 0 HD2 ARG A 117 -9.983 -13.016 7.622 1.00 33.30 H new ATOM 0 HD3 ARG A 117 -11.630 -13.218 7.058 1.00 33.30 H new ATOM 0 HE ARG A 117 -10.502 -14.839 5.326 1.00 60.23 H new ATOM 0 HH11 ARG A 117 -9.234 -14.347 8.594 1.00 14.44 H new ATOM 0 HH12 ARG A 117 -8.743 -16.035 8.769 1.00 14.44 H new ATOM 0 HH21 ARG A 117 -9.934 -16.994 5.584 1.00 70.31 H new ATOM 0 HH22 ARG A 117 -9.138 -17.529 7.068 1.00 70.31 H new ATOM 1868 N SER A 118 -12.803 -9.276 8.151 1.00 12.13 N ATOM 1869 CA SER A 118 -13.212 -8.059 8.800 1.00 21.22 C ATOM 1870 C SER A 118 -12.042 -7.097 9.059 1.00 2.32 C ATOM 1871 O SER A 118 -11.486 -7.049 10.163 1.00 21.11 O ATOM 1872 CB SER A 118 -13.960 -8.368 10.097 1.00 0.40 C ATOM 1873 OG SER A 118 -15.055 -9.250 9.850 1.00 43.15 O ATOM 0 H SER A 118 -12.647 -10.062 8.783 1.00 12.13 H new ATOM 0 HA SER A 118 -13.887 -7.547 8.114 1.00 21.22 H new ATOM 0 HB2 SER A 118 -13.278 -8.820 10.817 1.00 0.40 H new ATOM 0 HB3 SER A 118 -14.325 -7.442 10.541 1.00 0.40 H new ATOM 0 HG SER A 118 -15.520 -9.437 10.692 1.00 43.15 H new ATOM 1879 N ALA A 119 -11.630 -6.398 8.023 1.00 2.30 N ATOM 1880 CA ALA A 119 -10.624 -5.371 8.153 1.00 23.11 C ATOM 1881 C ALA A 119 -11.270 -4.045 7.874 1.00 43.12 C ATOM 1882 O ALA A 119 -11.890 -3.852 6.832 1.00 14.44 O ATOM 1883 CB ALA A 119 -9.438 -5.612 7.226 1.00 24.14 C ATOM 0 H ALA A 119 -11.981 -6.526 7.074 1.00 2.30 H new ATOM 0 HA ALA A 119 -10.223 -5.387 9.167 1.00 23.11 H new ATOM 0 HB1 ALA A 119 -8.706 -4.815 7.357 1.00 24.14 H new ATOM 0 HB2 ALA A 119 -8.978 -6.571 7.466 1.00 24.14 H new ATOM 0 HB3 ALA A 119 -9.781 -5.623 6.191 1.00 24.14 H new ATOM 1889 N ILE A 120 -11.126 -3.137 8.802 1.00 65.00 N ATOM 1890 CA ILE A 120 -11.776 -1.826 8.755 1.00 5.33 C ATOM 1891 C ILE A 120 -11.321 -1.013 7.515 1.00 20.14 C ATOM 1892 O ILE A 120 -12.038 -0.142 7.022 1.00 61.31 O ATOM 1893 CB ILE A 120 -11.476 -1.048 10.058 1.00 5.41 C ATOM 1894 CG1 ILE A 120 -11.779 -1.947 11.274 1.00 52.42 C ATOM 1895 CG2 ILE A 120 -12.313 0.229 10.123 1.00 73.34 C ATOM 1896 CD1 ILE A 120 -11.412 -1.328 12.607 1.00 32.51 C ATOM 0 H ILE A 120 -10.548 -3.276 9.631 1.00 65.00 H new ATOM 0 HA ILE A 120 -12.852 -1.978 8.668 1.00 5.33 H new ATOM 0 HB ILE A 120 -10.423 -0.767 10.071 1.00 5.41 H new ATOM 0 HG12 ILE A 120 -12.842 -2.189 11.278 1.00 52.42 H new ATOM 0 HG13 ILE A 120 -11.239 -2.887 11.161 1.00 52.42 H new ATOM 0 HG21 ILE A 120 -12.089 0.764 11.046 1.00 73.34 H new ATOM 0 HG22 ILE A 120 -12.076 0.864 9.269 1.00 73.34 H new ATOM 0 HG23 ILE A 120 -13.372 -0.028 10.100 1.00 73.34 H new ATOM 0 HD11 ILE A 120 -11.656 -2.023 13.410 1.00 32.51 H new ATOM 0 HD12 ILE A 120 -10.344 -1.112 12.626 1.00 32.51 H new ATOM 0 HD13 ILE A 120 -11.972 -0.403 12.745 1.00 32.51 H new ATOM 1908 N LEU A 121 -10.137 -1.316 7.014 1.00 74.20 N ATOM 1909 CA LEU A 121 -9.641 -0.682 5.803 1.00 72.03 C ATOM 1910 C LEU A 121 -10.445 -1.059 4.541 1.00 51.32 C ATOM 1911 O LEU A 121 -10.466 -0.315 3.573 1.00 25.11 O ATOM 1912 CB LEU A 121 -8.104 -0.795 5.632 1.00 62.32 C ATOM 1913 CG LEU A 121 -7.435 -2.168 5.860 1.00 2.43 C ATOM 1914 CD1 LEU A 121 -7.937 -3.214 4.904 1.00 20.31 C ATOM 1915 CD2 LEU A 121 -5.923 -2.039 5.762 1.00 25.33 C ATOM 0 H LEU A 121 -9.500 -1.997 7.426 1.00 74.20 H new ATOM 0 HA LEU A 121 -9.824 0.384 5.938 1.00 72.03 H new ATOM 0 HB2 LEU A 121 -7.859 -0.471 4.621 1.00 62.32 H new ATOM 0 HB3 LEU A 121 -7.641 -0.083 6.316 1.00 62.32 H new ATOM 0 HG LEU A 121 -7.704 -2.497 6.864 1.00 2.43 H new ATOM 0 HD11 LEU A 121 -7.436 -4.161 5.105 1.00 20.31 H new ATOM 0 HD12 LEU A 121 -9.012 -3.338 5.032 1.00 20.31 H new ATOM 0 HD13 LEU A 121 -7.727 -2.903 3.881 1.00 20.31 H new ATOM 0 HD21 LEU A 121 -5.463 -3.014 5.925 1.00 25.33 H new ATOM 0 HD22 LEU A 121 -5.653 -1.671 4.772 1.00 25.33 H new ATOM 0 HD23 LEU A 121 -5.568 -1.340 6.519 1.00 25.33 H new ATOM 1927 N LYS A 122 -11.116 -2.214 4.571 1.00 41.22 N ATOM 1928 CA LYS A 122 -11.942 -2.649 3.442 1.00 50.12 C ATOM 1929 C LYS A 122 -13.103 -1.672 3.247 1.00 62.43 C ATOM 1930 O LYS A 122 -13.561 -1.441 2.121 1.00 24.43 O ATOM 1931 CB LYS A 122 -12.488 -4.068 3.684 1.00 14.10 C ATOM 1932 CG LYS A 122 -13.335 -4.623 2.539 1.00 41.31 C ATOM 1933 CD LYS A 122 -13.875 -6.011 2.858 1.00 61.42 C ATOM 1934 CE LYS A 122 -14.738 -6.539 1.719 1.00 53.35 C ATOM 1935 NZ LYS A 122 -15.282 -7.882 2.000 1.00 71.52 N ATOM 0 H LYS A 122 -11.104 -2.861 5.360 1.00 41.22 H new ATOM 0 HA LYS A 122 -11.325 -2.665 2.544 1.00 50.12 H new ATOM 0 HB2 LYS A 122 -11.649 -4.742 3.859 1.00 14.10 H new ATOM 0 HB3 LYS A 122 -13.088 -4.063 4.594 1.00 14.10 H new ATOM 0 HG2 LYS A 122 -14.166 -3.946 2.340 1.00 41.31 H new ATOM 0 HG3 LYS A 122 -12.735 -4.666 1.630 1.00 41.31 H new ATOM 0 HD2 LYS A 122 -13.045 -6.695 3.037 1.00 61.42 H new ATOM 0 HD3 LYS A 122 -14.462 -5.974 3.776 1.00 61.42 H new ATOM 0 HE2 LYS A 122 -15.561 -5.847 1.540 1.00 53.35 H new ATOM 0 HE3 LYS A 122 -14.146 -6.574 0.804 1.00 53.35 H new ATOM 0 HZ1 LYS A 122 -14.785 -8.587 1.418 1.00 71.52 H new ATOM 0 HZ2 LYS A 122 -15.148 -8.107 3.006 1.00 71.52 H new ATOM 0 HZ3 LYS A 122 -16.297 -7.900 1.773 1.00 71.52 H new ATOM 1949 N MET A 123 -13.543 -1.080 4.357 1.00 20.15 N ATOM 1950 CA MET A 123 -14.649 -0.131 4.349 1.00 43.32 C ATOM 1951 C MET A 123 -14.276 1.080 3.500 1.00 44.34 C ATOM 1952 O MET A 123 -14.981 1.445 2.554 1.00 74.22 O ATOM 1953 CB MET A 123 -14.964 0.364 5.776 1.00 11.32 C ATOM 1954 CG MET A 123 -15.212 -0.720 6.821 1.00 21.43 C ATOM 1955 SD MET A 123 -16.566 -1.846 6.416 1.00 50.55 S ATOM 1956 CE MET A 123 -17.958 -0.714 6.328 1.00 40.14 C ATOM 0 H MET A 123 -13.144 -1.245 5.281 1.00 20.15 H new ATOM 0 HA MET A 123 -15.523 -0.638 3.940 1.00 43.32 H new ATOM 0 HB2 MET A 123 -14.135 0.985 6.115 1.00 11.32 H new ATOM 0 HB3 MET A 123 -15.844 1.005 5.731 1.00 11.32 H new ATOM 0 HG2 MET A 123 -14.298 -1.300 6.950 1.00 21.43 H new ATOM 0 HG3 MET A 123 -15.425 -0.244 7.778 1.00 21.43 H new ATOM 0 HE1 MET A 123 -18.888 -1.282 6.299 1.00 40.14 H new ATOM 0 HE2 MET A 123 -17.956 -0.066 7.205 1.00 40.14 H new ATOM 0 HE3 MET A 123 -17.876 -0.106 5.427 1.00 40.14 H new ATOM 1966 N ILE A 124 -13.139 1.679 3.831 1.00 13.32 N ATOM 1967 CA ILE A 124 -12.677 2.888 3.169 1.00 51.32 C ATOM 1968 C ILE A 124 -12.159 2.638 1.764 1.00 45.33 C ATOM 1969 O ILE A 124 -12.284 3.502 0.909 1.00 33.23 O ATOM 1970 CB ILE A 124 -11.606 3.637 3.964 1.00 41.23 C ATOM 1971 CG1 ILE A 124 -10.428 2.716 4.252 1.00 24.34 C ATOM 1972 CG2 ILE A 124 -12.201 4.203 5.248 1.00 44.21 C ATOM 1973 CD1 ILE A 124 -9.249 3.409 4.823 1.00 21.30 C ATOM 0 H ILE A 124 -12.515 1.341 4.563 1.00 13.32 H new ATOM 0 HA ILE A 124 -13.568 3.512 3.108 1.00 51.32 H new ATOM 0 HB ILE A 124 -11.239 4.475 3.371 1.00 41.23 H new ATOM 0 HG12 ILE A 124 -10.749 1.937 4.943 1.00 24.34 H new ATOM 0 HG13 ILE A 124 -10.133 2.220 3.327 1.00 24.34 H new ATOM 0 HG21 ILE A 124 -11.428 4.734 5.804 1.00 44.21 H new ATOM 0 HG22 ILE A 124 -13.009 4.892 5.002 1.00 44.21 H new ATOM 0 HG23 ILE A 124 -12.592 3.389 5.858 1.00 44.21 H new ATOM 0 HD11 ILE A 124 -8.453 2.686 5.000 1.00 21.30 H new ATOM 0 HD12 ILE A 124 -8.900 4.169 4.124 1.00 21.30 H new ATOM 0 HD13 ILE A 124 -9.526 3.882 5.765 1.00 21.30 H new ATOM 1985 N LEU A 125 -11.600 1.449 1.523 1.00 71.14 N ATOM 1986 CA LEU A 125 -11.048 1.098 0.211 1.00 61.24 C ATOM 1987 C LEU A 125 -12.149 1.253 -0.843 1.00 53.44 C ATOM 1988 O LEU A 125 -11.914 1.734 -1.957 1.00 65.14 O ATOM 1989 CB LEU A 125 -10.489 -0.364 0.253 1.00 14.22 C ATOM 1990 CG LEU A 125 -9.608 -0.879 -0.934 1.00 44.31 C ATOM 1991 CD1 LEU A 125 -10.357 -0.968 -2.258 1.00 72.22 C ATOM 1992 CD2 LEU A 125 -8.352 -0.034 -1.081 1.00 31.32 C ATOM 0 H LEU A 125 -11.517 0.711 2.222 1.00 71.14 H new ATOM 0 HA LEU A 125 -10.223 1.761 -0.050 1.00 61.24 H new ATOM 0 HB2 LEU A 125 -9.901 -0.464 1.165 1.00 14.22 H new ATOM 0 HB3 LEU A 125 -11.340 -1.038 0.346 1.00 14.22 H new ATOM 0 HG LEU A 125 -9.326 -1.900 -0.678 1.00 44.31 H new ATOM 0 HD11 LEU A 125 -9.683 -1.332 -3.034 1.00 72.22 H new ATOM 0 HD12 LEU A 125 -11.197 -1.655 -2.155 1.00 72.22 H new ATOM 0 HD13 LEU A 125 -10.728 0.019 -2.534 1.00 72.22 H new ATOM 0 HD21 LEU A 125 -7.755 -0.410 -1.912 1.00 31.32 H new ATOM 0 HD22 LEU A 125 -8.631 1.002 -1.275 1.00 31.32 H new ATOM 0 HD23 LEU A 125 -7.768 -0.087 -0.162 1.00 31.32 H new ATOM 2004 N MET A 126 -13.355 0.886 -0.466 1.00 12.55 N ATOM 2005 CA MET A 126 -14.486 0.991 -1.360 1.00 23.11 C ATOM 2006 C MET A 126 -15.263 2.287 -1.126 1.00 74.33 C ATOM 2007 O MET A 126 -16.254 2.539 -1.793 1.00 14.35 O ATOM 2008 CB MET A 126 -15.414 -0.223 -1.218 1.00 3.03 C ATOM 2009 CG MET A 126 -14.747 -1.554 -1.559 1.00 40.11 C ATOM 2010 SD MET A 126 -15.870 -2.972 -1.455 1.00 22.11 S ATOM 2011 CE MET A 126 -16.375 -2.897 0.271 1.00 15.41 C ATOM 0 H MET A 126 -13.577 0.511 0.456 1.00 12.55 H new ATOM 0 HA MET A 126 -14.097 1.010 -2.378 1.00 23.11 H new ATOM 0 HB2 MET A 126 -15.786 -0.266 -0.194 1.00 3.03 H new ATOM 0 HB3 MET A 126 -16.279 -0.085 -1.866 1.00 3.03 H new ATOM 0 HG2 MET A 126 -14.337 -1.498 -2.568 1.00 40.11 H new ATOM 0 HG3 MET A 126 -13.908 -1.715 -0.882 1.00 40.11 H new ATOM 0 HE1 MET A 126 -16.812 -3.852 0.564 1.00 15.41 H new ATOM 0 HE2 MET A 126 -15.506 -2.689 0.896 1.00 15.41 H new ATOM 0 HE3 MET A 126 -17.113 -2.105 0.400 1.00 15.41 H new ATOM 2021 N TYR A 127 -14.800 3.115 -0.195 1.00 71.54 N ATOM 2022 CA TYR A 127 -15.493 4.366 0.111 1.00 11.34 C ATOM 2023 C TYR A 127 -14.812 5.530 -0.582 1.00 74.31 C ATOM 2024 O TYR A 127 -15.474 6.425 -1.113 1.00 15.25 O ATOM 2025 CB TYR A 127 -15.516 4.599 1.630 1.00 44.04 C ATOM 2026 CG TYR A 127 -16.189 5.887 2.087 1.00 13.10 C ATOM 2027 CD1 TYR A 127 -17.573 6.008 2.124 1.00 61.25 C ATOM 2028 CD2 TYR A 127 -15.427 6.976 2.500 1.00 70.30 C ATOM 2029 CE1 TYR A 127 -18.177 7.180 2.555 1.00 22.10 C ATOM 2030 CE2 TYR A 127 -16.020 8.146 2.928 1.00 15.11 C ATOM 2031 CZ TYR A 127 -17.392 8.246 2.955 1.00 45.54 C ATOM 2032 OH TYR A 127 -17.986 9.418 3.388 1.00 21.21 O ATOM 0 H TYR A 127 -13.958 2.948 0.356 1.00 71.54 H new ATOM 0 HA TYR A 127 -16.518 4.294 -0.253 1.00 11.34 H new ATOM 0 HB2 TYR A 127 -16.024 3.758 2.101 1.00 44.04 H new ATOM 0 HB3 TYR A 127 -14.489 4.597 1.996 1.00 44.04 H new ATOM 0 HD1 TYR A 127 -18.188 5.177 1.812 1.00 61.25 H new ATOM 0 HD2 TYR A 127 -14.350 6.904 2.485 1.00 70.30 H new ATOM 0 HE1 TYR A 127 -19.254 7.260 2.578 1.00 22.10 H new ATOM 0 HE2 TYR A 127 -15.409 8.980 3.241 1.00 15.11 H new ATOM 0 HH TYR A 127 -17.292 10.065 3.633 1.00 21.21 H new ATOM 2042 N GLU A 128 -13.498 5.499 -0.583 1.00 21.54 N ATOM 2043 CA GLU A 128 -12.693 6.566 -1.121 1.00 32.12 C ATOM 2044 C GLU A 128 -12.818 6.736 -2.620 1.00 11.01 C ATOM 2045 O GLU A 128 -12.396 5.872 -3.409 1.00 1.42 O ATOM 2046 CB GLU A 128 -11.228 6.393 -0.760 1.00 32.34 C ATOM 2047 CG GLU A 128 -10.921 6.494 0.713 1.00 32.43 C ATOM 2048 CD GLU A 128 -9.446 6.327 0.997 1.00 41.40 C ATOM 2049 OE1 GLU A 128 -8.651 7.232 0.625 1.00 60.21 O ATOM 2050 OE2 GLU A 128 -9.065 5.319 1.580 1.00 34.02 O ATOM 0 H GLU A 128 -12.955 4.722 -0.205 1.00 21.54 H new ATOM 0 HA GLU A 128 -13.087 7.471 -0.659 1.00 32.12 H new ATOM 0 HB2 GLU A 128 -10.892 5.421 -1.120 1.00 32.34 H new ATOM 0 HB3 GLU A 128 -10.647 7.147 -1.290 1.00 32.34 H new ATOM 0 HG2 GLU A 128 -11.255 7.462 1.087 1.00 32.43 H new ATOM 0 HG3 GLU A 128 -11.483 5.732 1.253 1.00 32.43 H new