USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 880 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 91 THR OG1 : rot -82:sc= 1.29 USER MOD Set 1.2: A 93 CYS SG : rot 70:sc= 0.176 USER MOD Set 2.1: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 84 TYR OH : rot 29:sc= -0.592 USER MOD Set 3.1: A 60 GLN :FLIP amide:sc= 0 F(o=-3.4!,f=-0.83) USER MOD Set 3.2: A 73 MET CE :methyl -121:sc= -0.828 (180deg=-4.52!) USER MOD Set 4.1: A 45 GLN : amide:sc= 0.093 K(o=0.19,f=-0.35) USER MOD Set 4.2: A 111 SER OG : rot 103:sc= 0.0942 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.382 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= -0.0224 (180deg=-0.147) USER MOD Single : A 36 THR OG1 : rot 77:sc= 0.825 USER MOD Single : A 39 SER OG : rot 76:sc= 1.08 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.966 K(o=-0.97,f=-2.3!) USER MOD Single : A 46 GLN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 58 THR OG1 : rot -179:sc= -0.558 USER MOD Single : A 61 MET CE :methyl -174:sc= -0.26 (180deg=-0.336) USER MOD Single : A 64 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.9!) USER MOD Single : A 67 ASN :FLIP amide:sc=-0.00989 F(o=-0.74,f=-0.0099) USER MOD Single : A 69 GLN : amide:sc= 0.157 K(o=0.16,f=-6.8!) USER MOD Single : A 70 THR OG1 : rot -130:sc= -0.295 USER MOD Single : A 74 SER OG : rot 60:sc= 1.47 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -10:sc= -0.121 USER MOD Single : A 88 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.32) USER MOD Single : A 97 THR OG1 : rot 153:sc= -0.345 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 106 SER OG : rot 180:sc= 0.00692 USER MOD Single : A 108 MET CE :methyl -171:sc= -1.69 (180deg=-2.06) USER MOD Single : A 109 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 113 LYS NZ :NH3+ -172:sc= 1.44 (180deg=1.25) USER MOD Single : A 114 GLN : amide:sc= -3.91! C(o=-3.9!,f=-6.9!) USER MOD Single : A 115 ASN : amide:sc= -0.021 K(o=-0.021,f=-1.8) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -25:sc= 0.0695 USER MOD Single : A 123 ASN : amide:sc= 0.855 K(o=0.85,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 67:sc= 0.819 USER MOD Single : A 131 THR OG1 : rot 67:sc= 1.11 USER MOD Single : A 135 THR OG1 : rot -36:sc= 0.0195 USER MOD ----------------------------------------------------------------- ATOM 286 N LEU A 20 -1.511 14.522 -8.228 1.00 22.41 N ATOM 287 CA LEU A 20 -1.014 13.594 -7.189 1.00 75.44 C ATOM 288 C LEU A 20 0.454 13.226 -7.475 1.00 21.13 C ATOM 289 O LEU A 20 0.733 12.471 -8.420 1.00 21.24 O ATOM 290 CB LEU A 20 -1.873 12.288 -7.163 1.00 32.31 C ATOM 291 CG LEU A 20 -1.582 11.306 -5.980 1.00 71.53 C ATOM 292 CD1 LEU A 20 -2.175 11.822 -4.658 1.00 31.43 C ATOM 293 CD2 LEU A 20 -2.074 9.874 -6.285 1.00 43.44 C ATOM 0 HA LEU A 20 -1.089 14.090 -6.221 1.00 75.44 H new ATOM 0 HB2 LEU A 20 -2.926 12.568 -7.127 1.00 32.31 H new ATOM 0 HB3 LEU A 20 -1.717 11.754 -8.100 1.00 32.31 H new ATOM 0 HG LEU A 20 -0.499 11.262 -5.866 1.00 71.53 H new ATOM 0 HD11 LEU A 20 -1.953 11.114 -3.859 1.00 31.43 H new ATOM 0 HD12 LEU A 20 -1.738 12.791 -4.417 1.00 31.43 H new ATOM 0 HD13 LEU A 20 -3.255 11.927 -4.760 1.00 31.43 H new ATOM 0 HD21 LEU A 20 -1.852 9.225 -5.438 1.00 43.44 H new ATOM 0 HD22 LEU A 20 -3.150 9.888 -6.459 1.00 43.44 H new ATOM 0 HD23 LEU A 20 -1.568 9.497 -7.173 1.00 43.44 H new ATOM 305 N MET A 21 1.388 13.777 -6.681 1.00 11.33 N ATOM 306 CA MET A 21 2.813 13.402 -6.733 1.00 52.33 C ATOM 307 C MET A 21 3.185 12.720 -5.420 1.00 73.05 C ATOM 308 O MET A 21 3.404 13.394 -4.411 1.00 2.21 O ATOM 309 CB MET A 21 3.710 14.649 -6.970 1.00 2.10 C ATOM 310 CG MET A 21 5.219 14.355 -7.035 1.00 44.00 C ATOM 311 SD MET A 21 6.211 15.856 -7.214 1.00 44.10 S ATOM 312 CE MET A 21 7.883 15.223 -7.102 1.00 4.22 C ATOM 0 H MET A 21 1.178 14.494 -5.986 1.00 11.33 H new ATOM 0 HA MET A 21 2.976 12.719 -7.566 1.00 52.33 H new ATOM 0 HB2 MET A 21 3.406 15.126 -7.902 1.00 2.10 H new ATOM 0 HB3 MET A 21 3.528 15.367 -6.171 1.00 2.10 H new ATOM 0 HG2 MET A 21 5.522 13.829 -6.130 1.00 44.00 H new ATOM 0 HG3 MET A 21 5.420 13.689 -7.874 1.00 44.00 H new ATOM 0 HE1 MET A 21 8.591 16.046 -7.197 1.00 4.22 H new ATOM 0 HE2 MET A 21 8.023 14.734 -6.138 1.00 4.22 H new ATOM 0 HE3 MET A 21 8.054 14.503 -7.902 1.00 4.22 H new ATOM 322 N LEU A 22 3.250 11.379 -5.445 1.00 1.12 N ATOM 323 CA LEU A 22 3.581 10.575 -4.268 1.00 43.22 C ATOM 324 C LEU A 22 5.087 10.641 -4.013 1.00 55.14 C ATOM 325 O LEU A 22 5.876 10.069 -4.762 1.00 44.41 O ATOM 326 CB LEU A 22 3.127 9.110 -4.496 1.00 71.31 C ATOM 327 CG LEU A 22 1.613 8.936 -4.801 1.00 54.32 C ATOM 328 CD1 LEU A 22 1.303 7.514 -5.304 1.00 73.42 C ATOM 329 CD2 LEU A 22 0.752 9.305 -3.567 1.00 1.24 C ATOM 0 H LEU A 22 3.074 10.826 -6.284 1.00 1.12 H new ATOM 0 HA LEU A 22 3.062 10.967 -3.394 1.00 43.22 H new ATOM 0 HB2 LEU A 22 3.700 8.692 -5.323 1.00 71.31 H new ATOM 0 HB3 LEU A 22 3.374 8.526 -3.609 1.00 71.31 H new ATOM 0 HG LEU A 22 1.352 9.626 -5.603 1.00 54.32 H new ATOM 0 HD11 LEU A 22 0.236 7.425 -5.508 1.00 73.42 H new ATOM 0 HD12 LEU A 22 1.865 7.321 -6.218 1.00 73.42 H new ATOM 0 HD13 LEU A 22 1.588 6.788 -4.542 1.00 73.42 H new ATOM 0 HD21 LEU A 22 -0.303 9.175 -3.807 1.00 1.24 H new ATOM 0 HD22 LEU A 22 1.017 8.657 -2.732 1.00 1.24 H new ATOM 0 HD23 LEU A 22 0.936 10.344 -3.293 1.00 1.24 H new ATOM 409 N GLN A 27 9.909 8.942 5.931 1.00 14.51 N ATOM 410 CA GLN A 27 10.053 7.484 5.918 1.00 53.22 C ATOM 411 C GLN A 27 9.504 6.919 7.246 1.00 53.31 C ATOM 412 O GLN A 27 10.169 6.981 8.276 1.00 35.12 O ATOM 413 CB GLN A 27 11.542 7.100 5.690 1.00 62.00 C ATOM 414 CG GLN A 27 12.096 7.548 4.317 1.00 20.12 C ATOM 415 CD GLN A 27 13.601 7.315 4.145 1.00 61.32 C ATOM 416 OE1 GLN A 27 14.173 6.412 4.744 1.00 44.03 O ATOM 417 NE2 GLN A 27 14.250 8.118 3.315 1.00 4.44 N ATOM 0 HA GLN A 27 9.481 7.050 5.098 1.00 53.22 H new ATOM 0 HB2 GLN A 27 12.148 7.545 6.479 1.00 62.00 H new ATOM 0 HB3 GLN A 27 11.647 6.019 5.779 1.00 62.00 H new ATOM 0 HG2 GLN A 27 11.564 7.013 3.530 1.00 20.12 H new ATOM 0 HG3 GLN A 27 11.885 8.609 4.180 1.00 20.12 H new ATOM 0 HE21 GLN A 27 13.749 8.862 2.829 1.00 4.44 H new ATOM 0 HE22 GLN A 27 15.251 7.992 3.162 1.00 4.44 H new ATOM 426 N LEU A 28 8.258 6.405 7.194 1.00 75.22 N ATOM 427 CA LEU A 28 7.513 5.923 8.375 1.00 21.14 C ATOM 428 C LEU A 28 8.073 4.579 8.879 1.00 45.22 C ATOM 429 O LEU A 28 8.570 3.778 8.088 1.00 60.35 O ATOM 430 CB LEU A 28 5.998 5.762 8.030 1.00 54.44 C ATOM 431 CG LEU A 28 5.323 6.964 7.296 1.00 65.34 C ATOM 432 CD1 LEU A 28 3.810 6.724 7.090 1.00 21.12 C ATOM 433 CD2 LEU A 28 5.585 8.296 8.033 1.00 23.21 C ATOM 0 H LEU A 28 7.736 6.312 6.323 1.00 75.22 H new ATOM 0 HA LEU A 28 7.629 6.664 9.166 1.00 21.14 H new ATOM 0 HB2 LEU A 28 5.881 4.873 7.410 1.00 54.44 H new ATOM 0 HB3 LEU A 28 5.454 5.578 8.956 1.00 54.44 H new ATOM 0 HG LEU A 28 5.780 7.040 6.309 1.00 65.34 H new ATOM 0 HD11 LEU A 28 3.372 7.580 6.576 1.00 21.12 H new ATOM 0 HD12 LEU A 28 3.662 5.826 6.490 1.00 21.12 H new ATOM 0 HD13 LEU A 28 3.327 6.596 8.059 1.00 21.12 H new ATOM 0 HD21 LEU A 28 5.101 9.111 7.495 1.00 23.21 H new ATOM 0 HD22 LEU A 28 5.181 8.238 9.044 1.00 23.21 H new ATOM 0 HD23 LEU A 28 6.658 8.480 8.081 1.00 23.21 H new ATOM 445 N THR A 29 7.997 4.366 10.202 1.00 24.10 N ATOM 446 CA THR A 29 8.311 3.079 10.838 1.00 42.53 C ATOM 447 C THR A 29 7.043 2.201 10.897 1.00 54.24 C ATOM 448 O THR A 29 5.935 2.686 10.631 1.00 71.44 O ATOM 449 CB THR A 29 8.867 3.302 12.286 1.00 35.03 C ATOM 450 OG1 THR A 29 7.872 3.948 13.095 1.00 21.23 O ATOM 451 CG2 THR A 29 10.140 4.162 12.278 1.00 50.14 C ATOM 0 H THR A 29 7.714 5.088 10.864 1.00 24.10 H new ATOM 0 HA THR A 29 9.074 2.575 10.244 1.00 42.53 H new ATOM 0 HB THR A 29 9.114 2.324 12.699 1.00 35.03 H new ATOM 0 HG1 THR A 29 8.224 4.084 14.000 1.00 21.23 H new ATOM 0 HG21 THR A 29 10.496 4.295 13.300 1.00 50.14 H new ATOM 0 HG22 THR A 29 10.910 3.666 11.687 1.00 50.14 H new ATOM 0 HG23 THR A 29 9.918 5.136 11.842 1.00 50.14 H new ATOM 459 N ALA A 30 7.223 0.906 11.224 1.00 62.43 N ATOM 460 CA ALA A 30 6.103 -0.034 11.450 1.00 44.33 C ATOM 461 C ALA A 30 5.283 0.363 12.688 1.00 31.14 C ATOM 462 O ALA A 30 4.067 0.150 12.722 1.00 62.34 O ATOM 463 CB ALA A 30 6.632 -1.479 11.580 1.00 61.04 C ATOM 0 H ALA A 30 8.144 0.482 11.339 1.00 62.43 H new ATOM 0 HA ALA A 30 5.440 0.015 10.587 1.00 44.33 H new ATOM 0 HB1 ALA A 30 5.796 -2.159 11.746 1.00 61.04 H new ATOM 0 HB2 ALA A 30 7.152 -1.760 10.664 1.00 61.04 H new ATOM 0 HB3 ALA A 30 7.322 -1.540 12.422 1.00 61.04 H new ATOM 469 N ASP A 31 5.971 0.911 13.706 1.00 70.21 N ATOM 470 CA ASP A 31 5.325 1.435 14.922 1.00 3.53 C ATOM 471 C ASP A 31 4.398 2.604 14.583 1.00 44.30 C ATOM 472 O ASP A 31 3.225 2.577 14.939 1.00 51.23 O ATOM 473 CB ASP A 31 6.393 1.883 15.951 1.00 51.24 C ATOM 474 CG ASP A 31 7.359 0.749 16.339 1.00 11.11 C ATOM 475 OD1 ASP A 31 8.356 0.536 15.616 1.00 41.23 O ATOM 476 OD2 ASP A 31 7.122 0.054 17.348 1.00 51.24 O ATOM 0 H ASP A 31 6.987 1.003 13.709 1.00 70.21 H new ATOM 0 HA ASP A 31 4.727 0.636 15.360 1.00 3.53 H new ATOM 0 HB2 ASP A 31 6.963 2.715 15.537 1.00 51.24 H new ATOM 0 HB3 ASP A 31 5.895 2.253 16.847 1.00 51.24 H new ATOM 481 N TYR A 32 4.932 3.601 13.844 1.00 44.30 N ATOM 482 CA TYR A 32 4.160 4.801 13.437 1.00 15.00 C ATOM 483 C TYR A 32 2.985 4.383 12.562 1.00 52.23 C ATOM 484 O TYR A 32 1.883 4.901 12.723 1.00 71.35 O ATOM 485 CB TYR A 32 5.036 5.834 12.668 1.00 11.25 C ATOM 486 CG TYR A 32 4.254 7.091 12.181 1.00 11.02 C ATOM 487 CD1 TYR A 32 4.044 8.187 13.022 1.00 10.35 C ATOM 488 CD2 TYR A 32 3.699 7.154 10.895 1.00 64.33 C ATOM 489 CE1 TYR A 32 3.320 9.285 12.601 1.00 5.54 C ATOM 490 CE2 TYR A 32 2.970 8.250 10.477 1.00 71.41 C ATOM 491 CZ TYR A 32 2.787 9.312 11.325 1.00 23.24 C ATOM 492 OH TYR A 32 2.058 10.407 10.907 1.00 14.31 O ATOM 0 H TYR A 32 5.898 3.600 13.515 1.00 44.30 H new ATOM 0 HA TYR A 32 3.803 5.283 14.347 1.00 15.00 H new ATOM 0 HB2 TYR A 32 5.853 6.155 13.315 1.00 11.25 H new ATOM 0 HB3 TYR A 32 5.486 5.342 11.806 1.00 11.25 H new ATOM 0 HD1 TYR A 32 4.456 8.175 14.020 1.00 10.35 H new ATOM 0 HD2 TYR A 32 3.845 6.327 10.216 1.00 64.33 H new ATOM 0 HE1 TYR A 32 3.170 10.122 13.267 1.00 5.54 H new ATOM 0 HE2 TYR A 32 2.545 8.271 9.484 1.00 71.41 H new ATOM 0 HH TYR A 32 1.756 10.266 9.985 1.00 14.31 H new ATOM 502 N PHE A 33 3.263 3.450 11.629 1.00 32.34 N ATOM 503 CA PHE A 33 2.255 2.925 10.701 1.00 14.42 C ATOM 504 C PHE A 33 1.087 2.354 11.501 1.00 42.23 C ATOM 505 O PHE A 33 -0.039 2.716 11.248 1.00 25.22 O ATOM 506 CB PHE A 33 2.830 1.833 9.745 1.00 52.02 C ATOM 507 CG PHE A 33 1.831 1.371 8.651 1.00 24.34 C ATOM 508 CD1 PHE A 33 0.755 0.531 8.949 1.00 22.12 C ATOM 509 CD2 PHE A 33 1.962 1.800 7.336 1.00 42.34 C ATOM 510 CE1 PHE A 33 -0.144 0.153 7.982 1.00 65.05 C ATOM 511 CE2 PHE A 33 1.065 1.413 6.366 1.00 14.14 C ATOM 512 CZ PHE A 33 0.011 0.591 6.686 1.00 42.11 C ATOM 0 H PHE A 33 4.190 3.044 11.502 1.00 32.34 H new ATOM 0 HA PHE A 33 1.920 3.751 10.073 1.00 14.42 H new ATOM 0 HB2 PHE A 33 3.728 2.221 9.264 1.00 52.02 H new ATOM 0 HB3 PHE A 33 3.133 0.969 10.336 1.00 52.02 H new ATOM 0 HD1 PHE A 33 0.628 0.172 9.960 1.00 22.12 H new ATOM 0 HD2 PHE A 33 2.783 2.449 7.070 1.00 42.34 H new ATOM 0 HE1 PHE A 33 -0.974 -0.489 8.239 1.00 65.05 H new ATOM 0 HE2 PHE A 33 1.190 1.757 5.350 1.00 14.14 H new ATOM 0 HZ PHE A 33 -0.693 0.290 5.924 1.00 42.11 H new ATOM 522 N GLU A 34 1.400 1.470 12.463 1.00 61.03 N ATOM 523 CA GLU A 34 0.400 0.745 13.270 1.00 40.43 C ATOM 524 C GLU A 34 -0.480 1.731 14.062 1.00 72.30 C ATOM 525 O GLU A 34 -1.701 1.583 14.112 1.00 45.53 O ATOM 526 CB GLU A 34 1.119 -0.246 14.225 1.00 51.51 C ATOM 527 CG GLU A 34 0.178 -1.151 15.045 1.00 32.21 C ATOM 528 CD GLU A 34 0.940 -2.056 16.027 1.00 41.40 C ATOM 529 OE1 GLU A 34 1.535 -3.068 15.583 1.00 53.45 O ATOM 530 OE2 GLU A 34 0.991 -1.749 17.237 1.00 73.15 O ATOM 0 H GLU A 34 2.362 1.235 12.706 1.00 61.03 H new ATOM 0 HA GLU A 34 -0.252 0.180 12.604 1.00 40.43 H new ATOM 0 HB2 GLU A 34 1.785 -0.877 13.637 1.00 51.51 H new ATOM 0 HB3 GLU A 34 1.744 0.323 14.913 1.00 51.51 H new ATOM 0 HG2 GLU A 34 -0.526 -0.530 15.599 1.00 32.21 H new ATOM 0 HG3 GLU A 34 -0.409 -1.770 14.366 1.00 32.21 H new ATOM 537 N LYS A 35 0.164 2.754 14.634 1.00 62.45 N ATOM 538 CA LYS A 35 -0.524 3.781 15.443 1.00 61.32 C ATOM 539 C LYS A 35 -1.503 4.590 14.582 1.00 50.22 C ATOM 540 O LYS A 35 -2.694 4.701 14.900 1.00 23.22 O ATOM 541 CB LYS A 35 0.510 4.726 16.120 1.00 43.34 C ATOM 542 CG LYS A 35 1.479 4.013 17.079 1.00 70.14 C ATOM 543 CD LYS A 35 2.523 4.962 17.714 1.00 74.22 C ATOM 544 CE LYS A 35 1.889 5.971 18.686 1.00 74.30 C ATOM 545 NZ LYS A 35 1.230 5.304 19.840 1.00 63.52 N ATOM 0 H LYS A 35 1.171 2.898 14.554 1.00 62.45 H new ATOM 0 HA LYS A 35 -1.093 3.273 16.222 1.00 61.32 H new ATOM 0 HB2 LYS A 35 1.088 5.230 15.345 1.00 43.34 H new ATOM 0 HB3 LYS A 35 -0.026 5.499 16.671 1.00 43.34 H new ATOM 0 HG2 LYS A 35 0.906 3.532 17.872 1.00 70.14 H new ATOM 0 HG3 LYS A 35 1.999 3.223 16.537 1.00 70.14 H new ATOM 0 HD2 LYS A 35 3.270 4.372 18.245 1.00 74.22 H new ATOM 0 HD3 LYS A 35 3.045 5.502 16.925 1.00 74.22 H new ATOM 0 HE2 LYS A 35 2.658 6.651 19.053 1.00 74.30 H new ATOM 0 HE3 LYS A 35 1.156 6.576 18.152 1.00 74.30 H new ATOM 0 HZ1 LYS A 35 0.998 6.013 20.564 1.00 63.52 H new ATOM 0 HZ2 LYS A 35 0.357 4.838 19.519 1.00 63.52 H new ATOM 0 HZ3 LYS A 35 1.873 4.594 20.244 1.00 63.52 H new ATOM 559 N THR A 36 -0.989 5.107 13.459 1.00 42.55 N ATOM 560 CA THR A 36 -1.766 5.936 12.525 1.00 62.21 C ATOM 561 C THR A 36 -2.860 5.090 11.827 1.00 43.44 C ATOM 562 O THR A 36 -3.955 5.578 11.591 1.00 0.15 O ATOM 563 CB THR A 36 -0.821 6.616 11.468 1.00 53.35 C ATOM 564 OG1 THR A 36 0.300 7.214 12.138 1.00 52.14 O ATOM 565 CG2 THR A 36 -1.530 7.723 10.653 1.00 23.30 C ATOM 0 H THR A 36 -0.021 4.963 13.171 1.00 42.55 H new ATOM 0 HA THR A 36 -2.259 6.725 13.093 1.00 62.21 H new ATOM 0 HB THR A 36 -0.508 5.830 10.781 1.00 53.35 H new ATOM 0 HG1 THR A 36 0.942 6.517 12.387 1.00 52.14 H new ATOM 0 HG21 THR A 36 -0.828 8.156 9.940 1.00 23.30 H new ATOM 0 HG22 THR A 36 -2.376 7.294 10.115 1.00 23.30 H new ATOM 0 HG23 THR A 36 -1.886 8.500 11.329 1.00 23.30 H new ATOM 573 N TRP A 37 -2.549 3.811 11.560 1.00 23.24 N ATOM 574 CA TRP A 37 -3.477 2.840 10.931 1.00 42.44 C ATOM 575 C TRP A 37 -4.702 2.655 11.825 1.00 24.10 C ATOM 576 O TRP A 37 -5.838 2.808 11.376 1.00 53.35 O ATOM 577 CB TRP A 37 -2.753 1.479 10.689 1.00 25.25 C ATOM 578 CG TRP A 37 -3.587 0.408 10.009 1.00 32.04 C ATOM 579 CD1 TRP A 37 -4.196 -0.669 10.600 1.00 71.00 C ATOM 580 CD2 TRP A 37 -3.891 0.308 8.606 1.00 1.35 C ATOM 581 NE1 TRP A 37 -4.868 -1.410 9.661 1.00 51.42 N ATOM 582 CE2 TRP A 37 -4.692 -0.836 8.433 1.00 61.14 C ATOM 583 CE3 TRP A 37 -3.573 1.078 7.488 1.00 53.12 C ATOM 584 CZ2 TRP A 37 -5.169 -1.227 7.189 1.00 3.02 C ATOM 585 CZ3 TRP A 37 -4.054 0.690 6.250 1.00 21.14 C ATOM 586 CH2 TRP A 37 -4.847 -0.453 6.113 1.00 55.12 C ATOM 0 H TRP A 37 -1.636 3.411 11.775 1.00 23.24 H new ATOM 0 HA TRP A 37 -3.803 3.223 9.964 1.00 42.44 H new ATOM 0 HB2 TRP A 37 -1.865 1.662 10.084 1.00 25.25 H new ATOM 0 HB3 TRP A 37 -2.411 1.093 11.649 1.00 25.25 H new ATOM 0 HD1 TRP A 37 -4.153 -0.901 11.654 1.00 71.00 H new ATOM 0 HE1 TRP A 37 -5.411 -2.253 9.849 1.00 51.42 H new ATOM 0 HE3 TRP A 37 -2.961 1.963 7.587 1.00 53.12 H new ATOM 0 HZ2 TRP A 37 -5.775 -2.114 7.077 1.00 3.02 H new ATOM 0 HZ3 TRP A 37 -3.813 1.279 5.377 1.00 21.14 H new ATOM 0 HH2 TRP A 37 -5.212 -0.729 5.135 1.00 55.12 H new ATOM 597 N LEU A 38 -4.450 2.396 13.115 1.00 75.30 N ATOM 598 CA LEU A 38 -5.514 2.214 14.118 1.00 3.42 C ATOM 599 C LEU A 38 -6.279 3.532 14.354 1.00 1.04 C ATOM 600 O LEU A 38 -7.450 3.507 14.740 1.00 40.33 O ATOM 601 CB LEU A 38 -4.928 1.644 15.441 1.00 22.10 C ATOM 602 CG LEU A 38 -4.273 0.219 15.334 1.00 34.02 C ATOM 603 CD1 LEU A 38 -3.684 -0.242 16.691 1.00 12.25 C ATOM 604 CD2 LEU A 38 -5.270 -0.829 14.763 1.00 12.14 C ATOM 0 H LEU A 38 -3.507 2.307 13.494 1.00 75.30 H new ATOM 0 HA LEU A 38 -6.230 1.487 13.734 1.00 3.42 H new ATOM 0 HB2 LEU A 38 -4.179 2.341 15.816 1.00 22.10 H new ATOM 0 HB3 LEU A 38 -5.725 1.603 16.183 1.00 22.10 H new ATOM 0 HG LEU A 38 -3.445 0.298 14.629 1.00 34.02 H new ATOM 0 HD11 LEU A 38 -3.240 -1.231 16.578 1.00 12.25 H new ATOM 0 HD12 LEU A 38 -2.919 0.464 17.014 1.00 12.25 H new ATOM 0 HD13 LEU A 38 -4.478 -0.284 17.437 1.00 12.25 H new ATOM 0 HD21 LEU A 38 -4.781 -1.802 14.704 1.00 12.14 H new ATOM 0 HD22 LEU A 38 -6.139 -0.899 15.417 1.00 12.14 H new ATOM 0 HD23 LEU A 38 -5.589 -0.522 13.767 1.00 12.14 H new ATOM 616 N SER A 39 -5.619 4.673 14.095 1.00 15.42 N ATOM 617 CA SER A 39 -6.247 6.007 14.213 1.00 72.15 C ATOM 618 C SER A 39 -7.122 6.369 12.993 1.00 1.42 C ATOM 619 O SER A 39 -8.071 7.154 13.133 1.00 73.04 O ATOM 620 CB SER A 39 -5.163 7.082 14.412 1.00 43.22 C ATOM 621 OG SER A 39 -4.394 6.824 15.572 1.00 43.22 O ATOM 0 H SER A 39 -4.643 4.701 13.800 1.00 15.42 H new ATOM 0 HA SER A 39 -6.906 5.971 15.081 1.00 72.15 H new ATOM 0 HB2 SER A 39 -4.511 7.111 13.539 1.00 43.22 H new ATOM 0 HB3 SER A 39 -5.631 8.063 14.493 1.00 43.22 H new ATOM 0 HG SER A 39 -3.765 6.094 15.392 1.00 43.22 H new ATOM 627 N LEU A 40 -6.831 5.785 11.808 1.00 30.21 N ATOM 628 CA LEU A 40 -7.509 6.163 10.546 1.00 15.51 C ATOM 629 C LEU A 40 -8.662 5.210 10.219 1.00 54.23 C ATOM 630 O LEU A 40 -8.680 4.051 10.647 1.00 73.21 O ATOM 631 CB LEU A 40 -6.509 6.222 9.358 1.00 33.25 C ATOM 632 CG LEU A 40 -5.382 7.293 9.479 1.00 13.31 C ATOM 633 CD1 LEU A 40 -4.487 7.311 8.223 1.00 60.31 C ATOM 634 CD2 LEU A 40 -5.955 8.698 9.804 1.00 42.53 C ATOM 0 H LEU A 40 -6.132 5.051 11.699 1.00 30.21 H new ATOM 0 HA LEU A 40 -7.923 7.160 10.696 1.00 15.51 H new ATOM 0 HB2 LEU A 40 -6.044 5.242 9.249 1.00 33.25 H new ATOM 0 HB3 LEU A 40 -7.070 6.413 8.443 1.00 33.25 H new ATOM 0 HG LEU A 40 -4.751 7.009 10.321 1.00 13.31 H new ATOM 0 HD11 LEU A 40 -3.712 8.068 8.340 1.00 60.31 H new ATOM 0 HD12 LEU A 40 -4.023 6.333 8.093 1.00 60.31 H new ATOM 0 HD13 LEU A 40 -5.093 7.544 7.348 1.00 60.31 H new ATOM 0 HD21 LEU A 40 -5.138 9.415 9.880 1.00 42.53 H new ATOM 0 HD22 LEU A 40 -6.636 9.006 9.010 1.00 42.53 H new ATOM 0 HD23 LEU A 40 -6.495 8.661 10.750 1.00 42.53 H new ATOM 646 N LYS A 41 -9.605 5.727 9.423 1.00 61.34 N ATOM 647 CA LYS A 41 -10.810 5.009 8.998 1.00 72.23 C ATOM 648 C LYS A 41 -10.640 4.563 7.541 1.00 60.42 C ATOM 649 O LYS A 41 -9.864 5.173 6.802 1.00 50.25 O ATOM 650 CB LYS A 41 -12.048 5.931 9.165 1.00 62.21 C ATOM 651 CG LYS A 41 -12.260 6.449 10.607 1.00 14.35 C ATOM 652 CD LYS A 41 -12.431 5.301 11.624 1.00 61.54 C ATOM 653 CE LYS A 41 -12.584 5.791 13.072 1.00 12.44 C ATOM 654 NZ LYS A 41 -12.690 4.643 14.015 1.00 54.33 N ATOM 0 H LYS A 41 -9.550 6.675 9.050 1.00 61.34 H new ATOM 0 HA LYS A 41 -10.962 4.124 9.615 1.00 72.23 H new ATOM 0 HB2 LYS A 41 -11.945 6.785 8.495 1.00 62.21 H new ATOM 0 HB3 LYS A 41 -12.938 5.386 8.852 1.00 62.21 H new ATOM 0 HG2 LYS A 41 -11.409 7.065 10.898 1.00 14.35 H new ATOM 0 HG3 LYS A 41 -13.141 7.090 10.634 1.00 14.35 H new ATOM 0 HD2 LYS A 41 -13.307 4.712 11.353 1.00 61.54 H new ATOM 0 HD3 LYS A 41 -11.568 4.638 11.561 1.00 61.54 H new ATOM 0 HE2 LYS A 41 -11.729 6.411 13.342 1.00 12.44 H new ATOM 0 HE3 LYS A 41 -13.471 6.418 13.156 1.00 12.44 H new ATOM 0 HZ1 LYS A 41 -12.793 5.000 14.986 1.00 54.33 H new ATOM 0 HZ2 LYS A 41 -13.520 4.067 13.769 1.00 54.33 H new ATOM 0 HZ3 LYS A 41 -11.832 4.059 13.949 1.00 54.33 H new ATOM 668 N VAL A 42 -11.328 3.475 7.146 1.00 64.31 N ATOM 669 CA VAL A 42 -11.205 2.905 5.788 1.00 50.54 C ATOM 670 C VAL A 42 -11.751 3.888 4.735 1.00 4.31 C ATOM 671 O VAL A 42 -12.937 4.226 4.748 1.00 23.33 O ATOM 672 CB VAL A 42 -11.913 1.500 5.669 1.00 63.20 C ATOM 673 CG1 VAL A 42 -11.726 0.900 4.256 1.00 72.31 C ATOM 674 CG2 VAL A 42 -11.385 0.519 6.756 1.00 30.44 C ATOM 0 H VAL A 42 -11.977 2.971 7.750 1.00 64.31 H new ATOM 0 HA VAL A 42 -10.144 2.745 5.597 1.00 50.54 H new ATOM 0 HB VAL A 42 -12.980 1.650 5.833 1.00 63.20 H new ATOM 0 HG11 VAL A 42 -12.224 -0.068 4.203 1.00 72.31 H new ATOM 0 HG12 VAL A 42 -12.159 1.572 3.515 1.00 72.31 H new ATOM 0 HG13 VAL A 42 -10.663 0.772 4.053 1.00 72.31 H new ATOM 0 HG21 VAL A 42 -11.888 -0.443 6.654 1.00 30.44 H new ATOM 0 HG22 VAL A 42 -10.311 0.382 6.631 1.00 30.44 H new ATOM 0 HG23 VAL A 42 -11.586 0.930 7.745 1.00 30.44 H new ATOM 684 N ALA A 43 -10.851 4.362 3.856 1.00 53.03 N ATOM 685 CA ALA A 43 -11.184 5.317 2.789 1.00 32.23 C ATOM 686 C ALA A 43 -11.688 4.545 1.563 1.00 12.33 C ATOM 687 O ALA A 43 -12.672 4.932 0.924 1.00 23.24 O ATOM 688 CB ALA A 43 -9.953 6.171 2.455 1.00 52.40 C ATOM 0 H ALA A 43 -9.868 4.091 3.867 1.00 53.03 H new ATOM 0 HA ALA A 43 -11.975 5.991 3.118 1.00 32.23 H new ATOM 0 HB1 ALA A 43 -10.204 6.877 1.664 1.00 52.40 H new ATOM 0 HB2 ALA A 43 -9.638 6.718 3.343 1.00 52.40 H new ATOM 0 HB3 ALA A 43 -9.142 5.525 2.120 1.00 52.40 H new ATOM 694 N HIS A 44 -10.979 3.454 1.246 1.00 2.31 N ATOM 695 CA HIS A 44 -11.405 2.468 0.243 1.00 45.04 C ATOM 696 C HIS A 44 -10.849 1.085 0.614 1.00 5.43 C ATOM 697 O HIS A 44 -9.778 0.983 1.205 1.00 52.52 O ATOM 698 CB HIS A 44 -10.919 2.885 -1.171 1.00 54.05 C ATOM 699 CG HIS A 44 -11.360 1.976 -2.295 1.00 44.35 C ATOM 700 ND1 HIS A 44 -12.596 2.108 -2.874 1.00 32.04 N ATOM 701 CD2 HIS A 44 -10.698 0.951 -2.900 1.00 10.02 C ATOM 702 CE1 HIS A 44 -12.665 1.176 -3.804 1.00 11.53 C ATOM 703 NE2 HIS A 44 -11.542 0.456 -3.860 1.00 15.44 N ATOM 0 H HIS A 44 -10.085 3.228 1.682 1.00 2.31 H new ATOM 0 HA HIS A 44 -12.494 2.424 0.228 1.00 45.04 H new ATOM 0 HB2 HIS A 44 -11.277 3.893 -1.378 1.00 54.05 H new ATOM 0 HB3 HIS A 44 -9.830 2.928 -1.166 1.00 54.05 H new ATOM 0 HD1 HIS A 44 -13.316 2.789 -2.634 1.00 32.04 H new ATOM 0 HD2 HIS A 44 -9.704 0.598 -2.669 1.00 10.02 H new ATOM 0 HE1 HIS A 44 -13.522 1.015 -4.441 1.00 11.53 H new ATOM 711 N GLN A 45 -11.586 0.024 0.255 1.00 24.22 N ATOM 712 CA GLN A 45 -11.125 -1.364 0.394 1.00 13.25 C ATOM 713 C GLN A 45 -11.672 -2.178 -0.776 1.00 43.30 C ATOM 714 O GLN A 45 -12.875 -2.145 -1.059 1.00 30.22 O ATOM 715 CB GLN A 45 -11.546 -1.981 1.755 1.00 1.12 C ATOM 716 CG GLN A 45 -11.007 -3.406 1.996 1.00 11.44 C ATOM 717 CD GLN A 45 -11.263 -3.906 3.418 1.00 24.31 C ATOM 718 OE1 GLN A 45 -10.452 -3.695 4.317 1.00 65.42 O ATOM 719 NE2 GLN A 45 -12.389 -4.565 3.633 1.00 11.44 N ATOM 0 H GLN A 45 -12.522 0.105 -0.141 1.00 24.22 H new ATOM 0 HA GLN A 45 -10.035 -1.380 0.376 1.00 13.25 H new ATOM 0 HB2 GLN A 45 -11.198 -1.332 2.559 1.00 1.12 H new ATOM 0 HB3 GLN A 45 -12.634 -2.002 1.811 1.00 1.12 H new ATOM 0 HG2 GLN A 45 -11.473 -4.090 1.286 1.00 11.44 H new ATOM 0 HG3 GLN A 45 -9.935 -3.422 1.798 1.00 11.44 H new ATOM 0 HE21 GLN A 45 -13.042 -4.724 2.865 1.00 11.44 H new ATOM 0 HE22 GLN A 45 -12.605 -4.915 4.567 1.00 11.44 H new ATOM 728 N GLN A 46 -10.768 -2.884 -1.464 1.00 1.44 N ATOM 729 CA GLN A 46 -11.074 -3.665 -2.656 1.00 44.04 C ATOM 730 C GLN A 46 -10.199 -4.913 -2.678 1.00 43.40 C ATOM 731 O GLN A 46 -9.017 -4.846 -2.352 1.00 63.13 O ATOM 732 CB GLN A 46 -10.815 -2.806 -3.912 1.00 41.41 C ATOM 733 CG GLN A 46 -11.024 -3.527 -5.247 1.00 43.53 C ATOM 734 CD GLN A 46 -10.771 -2.616 -6.439 1.00 74.44 C ATOM 735 OE1 GLN A 46 -11.686 -1.968 -6.952 1.00 31.35 O ATOM 736 NE2 GLN A 46 -9.520 -2.535 -6.865 1.00 44.42 N ATOM 0 H GLN A 46 -9.784 -2.926 -1.198 1.00 1.44 H new ATOM 0 HA GLN A 46 -12.122 -3.966 -2.645 1.00 44.04 H new ATOM 0 HB2 GLN A 46 -11.471 -1.936 -3.880 1.00 41.41 H new ATOM 0 HB3 GLN A 46 -9.791 -2.434 -3.874 1.00 41.41 H new ATOM 0 HG2 GLN A 46 -10.357 -4.387 -5.302 1.00 43.53 H new ATOM 0 HG3 GLN A 46 -12.043 -3.910 -5.295 1.00 43.53 H new ATOM 0 HE21 GLN A 46 -8.791 -3.088 -6.414 1.00 44.42 H new ATOM 0 HE22 GLN A 46 -9.285 -1.920 -7.644 1.00 44.42 H new ATOM 745 N VAL A 47 -10.786 -6.043 -3.071 1.00 45.51 N ATOM 746 CA VAL A 47 -10.094 -7.332 -3.145 1.00 31.04 C ATOM 747 C VAL A 47 -9.921 -7.707 -4.639 1.00 33.42 C ATOM 748 O VAL A 47 -10.903 -7.758 -5.385 1.00 42.30 O ATOM 749 CB VAL A 47 -10.903 -8.443 -2.364 1.00 74.03 C ATOM 750 CG1 VAL A 47 -10.081 -9.741 -2.226 1.00 64.34 C ATOM 751 CG2 VAL A 47 -11.369 -7.928 -0.973 1.00 64.31 C ATOM 0 H VAL A 47 -11.766 -6.091 -3.350 1.00 45.51 H new ATOM 0 HA VAL A 47 -9.114 -7.259 -2.674 1.00 31.04 H new ATOM 0 HB VAL A 47 -11.793 -8.673 -2.950 1.00 74.03 H new ATOM 0 HG11 VAL A 47 -10.665 -10.485 -1.684 1.00 64.34 H new ATOM 0 HG12 VAL A 47 -9.835 -10.123 -3.217 1.00 64.34 H new ATOM 0 HG13 VAL A 47 -9.161 -9.533 -1.679 1.00 64.34 H new ATOM 0 HG21 VAL A 47 -11.922 -8.715 -0.460 1.00 64.31 H new ATOM 0 HG22 VAL A 47 -10.499 -7.650 -0.378 1.00 64.31 H new ATOM 0 HG23 VAL A 47 -12.013 -7.058 -1.104 1.00 64.31 H new ATOM 761 N LEU A 48 -8.665 -7.949 -5.059 1.00 1.13 N ATOM 762 CA LEU A 48 -8.297 -8.249 -6.461 1.00 33.31 C ATOM 763 C LEU A 48 -7.567 -9.603 -6.513 1.00 74.13 C ATOM 764 O LEU A 48 -6.782 -9.889 -5.615 1.00 14.53 O ATOM 765 CB LEU A 48 -7.363 -7.148 -7.042 1.00 10.11 C ATOM 766 CG LEU A 48 -7.986 -5.728 -7.208 1.00 21.12 C ATOM 767 CD1 LEU A 48 -6.921 -4.700 -7.668 1.00 31.34 C ATOM 768 CD2 LEU A 48 -9.199 -5.764 -8.177 1.00 63.40 C ATOM 0 H LEU A 48 -7.864 -7.942 -4.427 1.00 1.13 H new ATOM 0 HA LEU A 48 -9.209 -8.283 -7.057 1.00 33.31 H new ATOM 0 HB2 LEU A 48 -6.490 -7.065 -6.395 1.00 10.11 H new ATOM 0 HB3 LEU A 48 -7.007 -7.481 -8.017 1.00 10.11 H new ATOM 0 HG LEU A 48 -8.352 -5.404 -6.233 1.00 21.12 H new ATOM 0 HD11 LEU A 48 -7.384 -3.719 -7.775 1.00 31.34 H new ATOM 0 HD12 LEU A 48 -6.124 -4.646 -6.927 1.00 31.34 H new ATOM 0 HD13 LEU A 48 -6.505 -5.011 -8.626 1.00 31.34 H new ATOM 0 HD21 LEU A 48 -9.616 -4.762 -8.276 1.00 63.40 H new ATOM 0 HD22 LEU A 48 -8.873 -6.120 -9.155 1.00 63.40 H new ATOM 0 HD23 LEU A 48 -9.961 -6.436 -7.782 1.00 63.40 H new ATOM 780 N PRO A 49 -7.783 -10.450 -7.564 1.00 51.03 N ATOM 781 CA PRO A 49 -7.085 -11.748 -7.691 1.00 14.53 C ATOM 782 C PRO A 49 -5.617 -11.557 -8.170 1.00 75.11 C ATOM 783 O PRO A 49 -5.380 -11.047 -9.270 1.00 72.31 O ATOM 784 CB PRO A 49 -7.953 -12.488 -8.732 1.00 73.14 C ATOM 785 CG PRO A 49 -8.526 -11.415 -9.604 1.00 62.14 C ATOM 786 CD PRO A 49 -8.708 -10.204 -8.713 1.00 44.20 C ATOM 0 HA PRO A 49 -6.990 -12.294 -6.752 1.00 14.53 H new ATOM 0 HB2 PRO A 49 -7.356 -13.190 -9.314 1.00 73.14 H new ATOM 0 HB3 PRO A 49 -8.742 -13.064 -8.248 1.00 73.14 H new ATOM 0 HG2 PRO A 49 -7.858 -11.190 -10.436 1.00 62.14 H new ATOM 0 HG3 PRO A 49 -9.477 -11.729 -10.035 1.00 62.14 H new ATOM 0 HD2 PRO A 49 -8.455 -9.282 -9.237 1.00 44.20 H new ATOM 0 HD3 PRO A 49 -9.741 -10.107 -8.379 1.00 44.20 H new ATOM 794 N TRP A 50 -4.636 -11.940 -7.322 1.00 31.41 N ATOM 795 CA TRP A 50 -3.211 -11.768 -7.650 1.00 3.44 C ATOM 796 C TRP A 50 -2.734 -12.996 -8.451 1.00 75.40 C ATOM 797 O TRP A 50 -2.894 -14.138 -8.009 1.00 4.05 O ATOM 798 CB TRP A 50 -2.357 -11.551 -6.372 1.00 22.53 C ATOM 799 CG TRP A 50 -0.977 -10.952 -6.649 1.00 25.15 C ATOM 800 CD1 TRP A 50 0.011 -11.476 -7.432 1.00 63.11 C ATOM 801 CD2 TRP A 50 -0.440 -9.718 -6.142 1.00 75.23 C ATOM 802 NE1 TRP A 50 1.093 -10.644 -7.471 1.00 61.34 N ATOM 803 CE2 TRP A 50 0.852 -9.569 -6.674 1.00 55.11 C ATOM 804 CE3 TRP A 50 -0.920 -8.736 -5.293 1.00 21.41 C ATOM 805 CZ2 TRP A 50 1.658 -8.476 -6.389 1.00 40.33 C ATOM 806 CZ3 TRP A 50 -0.120 -7.651 -4.998 1.00 14.33 C ATOM 807 CH2 TRP A 50 1.157 -7.530 -5.545 1.00 11.42 C ATOM 0 H TRP A 50 -4.808 -12.367 -6.412 1.00 31.41 H new ATOM 0 HA TRP A 50 -3.086 -10.873 -8.259 1.00 3.44 H new ATOM 0 HB2 TRP A 50 -2.898 -10.894 -5.691 1.00 22.53 H new ATOM 0 HB3 TRP A 50 -2.233 -12.506 -5.862 1.00 22.53 H new ATOM 0 HD1 TRP A 50 -0.054 -12.421 -7.951 1.00 63.11 H new ATOM 0 HE1 TRP A 50 1.944 -10.803 -8.010 1.00 61.34 H new ATOM 0 HE3 TRP A 50 -1.909 -8.818 -4.866 1.00 21.41 H new ATOM 0 HZ2 TRP A 50 2.644 -8.379 -6.819 1.00 40.33 H new ATOM 0 HZ3 TRP A 50 -0.489 -6.884 -4.333 1.00 14.33 H new ATOM 0 HH2 TRP A 50 1.761 -6.670 -5.295 1.00 11.42 H new ATOM 864 N PHE A 54 4.438 -14.086 -8.856 1.00 25.53 N ATOM 865 CA PHE A 54 4.581 -13.063 -7.814 1.00 14.12 C ATOM 866 C PHE A 54 5.874 -13.304 -7.013 1.00 33.41 C ATOM 867 O PHE A 54 6.099 -14.388 -6.460 1.00 5.44 O ATOM 868 CB PHE A 54 3.345 -13.040 -6.868 1.00 73.35 C ATOM 869 CG PHE A 54 3.502 -12.157 -5.605 1.00 51.13 C ATOM 870 CD1 PHE A 54 4.035 -10.866 -5.681 1.00 3.15 C ATOM 871 CD2 PHE A 54 3.145 -12.634 -4.353 1.00 31.30 C ATOM 872 CE1 PHE A 54 4.196 -10.096 -4.550 1.00 31.52 C ATOM 873 CE2 PHE A 54 3.312 -11.865 -3.222 1.00 72.44 C ATOM 874 CZ PHE A 54 3.835 -10.597 -3.321 1.00 1.03 C ATOM 0 HA PHE A 54 4.641 -12.089 -8.299 1.00 14.12 H new ATOM 0 HB2 PHE A 54 2.481 -12.689 -7.433 1.00 73.35 H new ATOM 0 HB3 PHE A 54 3.128 -14.061 -6.554 1.00 73.35 H new ATOM 0 HD1 PHE A 54 4.325 -10.466 -6.642 1.00 3.15 H new ATOM 0 HD2 PHE A 54 2.728 -13.626 -4.263 1.00 31.30 H new ATOM 0 HE1 PHE A 54 4.605 -9.100 -4.628 1.00 31.52 H new ATOM 0 HE2 PHE A 54 3.032 -12.259 -2.256 1.00 72.44 H new ATOM 0 HZ PHE A 54 3.962 -9.995 -2.434 1.00 1.03 H new ATOM 884 N HIS A 55 6.722 -12.271 -6.983 1.00 50.33 N ATOM 885 CA HIS A 55 7.903 -12.200 -6.129 1.00 22.20 C ATOM 886 C HIS A 55 7.802 -10.892 -5.319 1.00 61.42 C ATOM 887 O HIS A 55 7.703 -9.814 -5.929 1.00 52.10 O ATOM 888 CB HIS A 55 9.199 -12.216 -6.980 1.00 61.22 C ATOM 889 CG HIS A 55 9.432 -13.497 -7.761 1.00 64.01 C ATOM 890 ND1 HIS A 55 10.394 -14.424 -7.420 1.00 31.35 N ATOM 891 CD2 HIS A 55 8.831 -13.989 -8.879 1.00 3.33 C ATOM 892 CE1 HIS A 55 10.374 -15.421 -8.283 1.00 51.30 C ATOM 893 NE2 HIS A 55 9.436 -15.184 -9.175 1.00 22.42 N ATOM 0 H HIS A 55 6.600 -11.444 -7.567 1.00 50.33 H new ATOM 0 HA HIS A 55 7.946 -13.062 -5.464 1.00 22.20 H new ATOM 0 HB2 HIS A 55 9.168 -11.381 -7.680 1.00 61.22 H new ATOM 0 HB3 HIS A 55 10.051 -12.048 -6.322 1.00 61.22 H new ATOM 0 HD2 HIS A 55 8.027 -13.525 -9.431 1.00 3.33 H new ATOM 0 HE1 HIS A 55 11.019 -16.287 -8.261 1.00 51.30 H new ATOM 0 HE2 HIS A 55 9.197 -15.791 -9.960 1.00 22.42 H new ATOM 902 N PRO A 56 7.780 -10.954 -3.944 1.00 34.21 N ATOM 903 CA PRO A 56 7.673 -9.745 -3.082 1.00 64.44 C ATOM 904 C PRO A 56 8.894 -8.813 -3.245 1.00 62.20 C ATOM 905 O PRO A 56 8.804 -7.611 -3.032 1.00 0.00 O ATOM 906 CB PRO A 56 7.581 -10.341 -1.652 1.00 32.02 C ATOM 907 CG PRO A 56 8.198 -11.694 -1.750 1.00 52.35 C ATOM 908 CD PRO A 56 7.837 -12.196 -3.125 1.00 65.22 C ATOM 0 HA PRO A 56 6.820 -9.115 -3.334 1.00 64.44 H new ATOM 0 HB2 PRO A 56 8.111 -9.718 -0.931 1.00 32.02 H new ATOM 0 HB3 PRO A 56 6.545 -10.404 -1.318 1.00 32.02 H new ATOM 0 HG2 PRO A 56 9.279 -11.644 -1.621 1.00 52.35 H new ATOM 0 HG3 PRO A 56 7.815 -12.358 -0.975 1.00 52.35 H new ATOM 0 HD2 PRO A 56 8.582 -12.894 -3.506 1.00 65.22 H new ATOM 0 HD3 PRO A 56 6.881 -12.720 -3.123 1.00 65.22 H new ATOM 916 N ASP A 57 10.021 -9.428 -3.610 1.00 70.15 N ATOM 917 CA ASP A 57 11.287 -8.742 -3.931 1.00 74.31 C ATOM 918 C ASP A 57 11.082 -7.783 -5.112 1.00 1.21 C ATOM 919 O ASP A 57 11.454 -6.604 -5.055 1.00 55.12 O ATOM 920 CB ASP A 57 12.372 -9.794 -4.310 1.00 22.32 C ATOM 921 CG ASP A 57 12.612 -10.860 -3.230 1.00 11.15 C ATOM 922 OD1 ASP A 57 11.724 -11.721 -3.030 1.00 51.30 O ATOM 923 OD2 ASP A 57 13.670 -10.836 -2.562 1.00 34.04 O ATOM 0 H ASP A 57 10.086 -10.442 -3.694 1.00 70.15 H new ATOM 0 HA ASP A 57 11.611 -8.176 -3.058 1.00 74.31 H new ATOM 0 HB2 ASP A 57 12.076 -10.289 -5.235 1.00 22.32 H new ATOM 0 HB3 ASP A 57 13.310 -9.277 -4.511 1.00 22.32 H new ATOM 928 N THR A 58 10.463 -8.322 -6.168 1.00 2.40 N ATOM 929 CA THR A 58 10.223 -7.606 -7.428 1.00 42.13 C ATOM 930 C THR A 58 9.182 -6.493 -7.218 1.00 23.15 C ATOM 931 O THR A 58 9.327 -5.382 -7.740 1.00 13.43 O ATOM 932 CB THR A 58 9.748 -8.612 -8.523 1.00 74.42 C ATOM 933 OG1 THR A 58 10.608 -9.763 -8.514 1.00 1.15 O ATOM 934 CG2 THR A 58 9.752 -8.000 -9.927 1.00 60.24 C ATOM 0 H THR A 58 10.110 -9.279 -6.173 1.00 2.40 H new ATOM 0 HA THR A 58 11.152 -7.142 -7.761 1.00 42.13 H new ATOM 0 HB THR A 58 8.720 -8.888 -8.286 1.00 74.42 H new ATOM 0 HG1 THR A 58 10.322 -10.391 -9.210 1.00 1.15 H new ATOM 0 HG21 THR A 58 9.413 -8.743 -10.649 1.00 60.24 H new ATOM 0 HG22 THR A 58 9.083 -7.140 -9.951 1.00 60.24 H new ATOM 0 HG23 THR A 58 10.763 -7.681 -10.182 1.00 60.24 H new ATOM 942 N LEU A 59 8.145 -6.824 -6.421 1.00 1.43 N ATOM 943 CA LEU A 59 7.089 -5.872 -6.019 1.00 31.31 C ATOM 944 C LEU A 59 7.707 -4.680 -5.278 1.00 63.43 C ATOM 945 O LEU A 59 7.432 -3.535 -5.610 1.00 51.32 O ATOM 946 CB LEU A 59 6.021 -6.572 -5.126 1.00 45.11 C ATOM 947 CG LEU A 59 4.867 -5.655 -4.594 1.00 74.40 C ATOM 948 CD1 LEU A 59 4.003 -5.069 -5.743 1.00 54.10 C ATOM 949 CD2 LEU A 59 3.994 -6.405 -3.559 1.00 42.10 C ATOM 0 H LEU A 59 8.016 -7.760 -6.038 1.00 1.43 H new ATOM 0 HA LEU A 59 6.593 -5.509 -6.919 1.00 31.31 H new ATOM 0 HB2 LEU A 59 5.577 -7.388 -5.696 1.00 45.11 H new ATOM 0 HB3 LEU A 59 6.527 -7.019 -4.271 1.00 45.11 H new ATOM 0 HG LEU A 59 5.336 -4.809 -4.092 1.00 74.40 H new ATOM 0 HD11 LEU A 59 3.217 -4.441 -5.323 1.00 54.10 H new ATOM 0 HD12 LEU A 59 4.632 -4.471 -6.403 1.00 54.10 H new ATOM 0 HD13 LEU A 59 3.552 -5.883 -6.311 1.00 54.10 H new ATOM 0 HD21 LEU A 59 3.201 -5.746 -3.206 1.00 42.10 H new ATOM 0 HD22 LEU A 59 3.553 -7.286 -4.025 1.00 42.10 H new ATOM 0 HD23 LEU A 59 4.613 -6.712 -2.716 1.00 42.10 H new ATOM 961 N GLN A 60 8.579 -4.991 -4.309 1.00 60.51 N ATOM 962 CA GLN A 60 9.212 -4.003 -3.419 1.00 74.24 C ATOM 963 C GLN A 60 10.072 -3.017 -4.223 1.00 41.53 C ATOM 964 O GLN A 60 9.990 -1.803 -4.025 1.00 75.22 O ATOM 965 CB GLN A 60 10.074 -4.719 -2.353 1.00 44.04 C ATOM 966 CG GLN A 60 10.708 -3.782 -1.317 1.00 30.20 C ATOM 967 CD GLN A 60 11.445 -4.545 -0.222 1.00 1.30 C ATOM 968 OE1 GLN A 60 10.730 -4.904 0.836 1.00 25.51 O flip ATOM 969 NE2 GLN A 60 12.638 -4.826 -0.332 1.00 54.12 N flip ATOM 0 H GLN A 60 8.870 -5.950 -4.117 1.00 60.51 H new ATOM 0 HA GLN A 60 8.425 -3.440 -2.917 1.00 74.24 H new ATOM 0 HB2 GLN A 60 9.454 -5.450 -1.833 1.00 44.04 H new ATOM 0 HB3 GLN A 60 10.866 -5.273 -2.856 1.00 44.04 H new ATOM 0 HG2 GLN A 60 11.403 -3.107 -1.817 1.00 30.20 H new ATOM 0 HG3 GLN A 60 9.932 -3.163 -0.866 1.00 30.20 H new ATOM 0 HE21 GLN A 60 13.157 -4.533 -1.160 1.00 54.12 H new ATOM 0 HE22 GLN A 60 13.108 -5.352 0.405 1.00 54.12 H new ATOM 978 N MET A 61 10.886 -3.565 -5.135 1.00 51.12 N ATOM 979 CA MET A 61 11.766 -2.764 -6.002 1.00 74.42 C ATOM 980 C MET A 61 10.949 -1.854 -6.932 1.00 43.30 C ATOM 981 O MET A 61 11.350 -0.719 -7.191 1.00 2.02 O ATOM 982 CB MET A 61 12.728 -3.675 -6.812 1.00 53.51 C ATOM 983 CG MET A 61 13.767 -4.418 -5.957 1.00 31.11 C ATOM 984 SD MET A 61 14.954 -5.363 -6.949 1.00 12.22 S ATOM 985 CE MET A 61 13.894 -6.515 -7.821 1.00 34.50 C ATOM 0 H MET A 61 10.954 -4.570 -5.294 1.00 51.12 H new ATOM 0 HA MET A 61 12.373 -2.123 -5.362 1.00 74.42 H new ATOM 0 HB2 MET A 61 12.138 -4.407 -7.363 1.00 53.51 H new ATOM 0 HB3 MET A 61 13.251 -3.066 -7.550 1.00 53.51 H new ATOM 0 HG2 MET A 61 14.307 -3.697 -5.343 1.00 31.11 H new ATOM 0 HG3 MET A 61 13.252 -5.094 -5.275 1.00 31.11 H new ATOM 0 HE1 MET A 61 14.507 -7.221 -8.381 1.00 34.50 H new ATOM 0 HE2 MET A 61 13.279 -7.058 -7.103 1.00 34.50 H new ATOM 0 HE3 MET A 61 13.250 -5.968 -8.509 1.00 34.50 H new ATOM 995 N ALA A 62 9.800 -2.362 -7.410 1.00 40.32 N ATOM 996 CA ALA A 62 8.891 -1.601 -8.289 1.00 13.15 C ATOM 997 C ALA A 62 8.227 -0.444 -7.507 1.00 13.12 C ATOM 998 O ALA A 62 8.056 0.661 -8.038 1.00 54.24 O ATOM 999 CB ALA A 62 7.843 -2.542 -8.907 1.00 23.44 C ATOM 0 H ALA A 62 9.475 -3.306 -7.200 1.00 40.32 H new ATOM 0 HA ALA A 62 9.467 -1.160 -9.103 1.00 13.15 H new ATOM 0 HB1 ALA A 62 7.177 -1.971 -9.554 1.00 23.44 H new ATOM 0 HB2 ALA A 62 8.346 -3.312 -9.493 1.00 23.44 H new ATOM 0 HB3 ALA A 62 7.262 -3.012 -8.113 1.00 23.44 H new ATOM 1005 N LEU A 63 7.879 -0.720 -6.234 1.00 2.12 N ATOM 1006 CA LEU A 63 7.332 0.284 -5.294 1.00 41.31 C ATOM 1007 C LEU A 63 8.321 1.449 -5.137 1.00 53.31 C ATOM 1008 O LEU A 63 7.933 2.605 -5.183 1.00 53.25 O ATOM 1009 CB LEU A 63 7.017 -0.369 -3.915 1.00 50.23 C ATOM 1010 CG LEU A 63 5.858 -1.418 -3.913 1.00 50.50 C ATOM 1011 CD1 LEU A 63 5.870 -2.269 -2.625 1.00 71.04 C ATOM 1012 CD2 LEU A 63 4.483 -0.738 -4.128 1.00 21.24 C ATOM 0 H LEU A 63 7.969 -1.650 -5.825 1.00 2.12 H new ATOM 0 HA LEU A 63 6.398 0.674 -5.699 1.00 41.31 H new ATOM 0 HB2 LEU A 63 7.922 -0.853 -3.547 1.00 50.23 H new ATOM 0 HB3 LEU A 63 6.768 0.422 -3.207 1.00 50.23 H new ATOM 0 HG LEU A 63 6.025 -2.093 -4.752 1.00 50.50 H new ATOM 0 HD11 LEU A 63 5.051 -2.988 -2.656 1.00 71.04 H new ATOM 0 HD12 LEU A 63 6.818 -2.802 -2.550 1.00 71.04 H new ATOM 0 HD13 LEU A 63 5.749 -1.619 -1.758 1.00 71.04 H new ATOM 0 HD21 LEU A 63 3.698 -1.494 -4.121 1.00 21.24 H new ATOM 0 HD22 LEU A 63 4.303 -0.021 -3.327 1.00 21.24 H new ATOM 0 HD23 LEU A 63 4.479 -0.220 -5.087 1.00 21.24 H new ATOM 1024 N GLN A 64 9.604 1.116 -4.976 1.00 51.20 N ATOM 1025 CA GLN A 64 10.695 2.105 -4.893 1.00 11.03 C ATOM 1026 C GLN A 64 10.773 2.998 -6.156 1.00 1.51 C ATOM 1027 O GLN A 64 11.043 4.201 -6.040 1.00 71.21 O ATOM 1028 CB GLN A 64 12.041 1.379 -4.640 1.00 63.33 C ATOM 1029 CG GLN A 64 12.091 0.590 -3.320 1.00 51.21 C ATOM 1030 CD GLN A 64 13.372 -0.242 -3.170 1.00 60.24 C ATOM 1031 OE1 GLN A 64 13.429 -1.410 -3.556 1.00 63.32 O ATOM 1032 NE2 GLN A 64 14.419 0.364 -2.636 1.00 11.21 N ATOM 0 H GLN A 64 9.922 0.150 -4.899 1.00 51.20 H new ATOM 0 HA GLN A 64 10.483 2.770 -4.055 1.00 11.03 H new ATOM 0 HB2 GLN A 64 12.234 0.695 -5.467 1.00 63.33 H new ATOM 0 HB3 GLN A 64 12.845 2.115 -4.641 1.00 63.33 H new ATOM 0 HG2 GLN A 64 12.015 1.285 -2.484 1.00 51.21 H new ATOM 0 HG3 GLN A 64 11.226 -0.071 -3.264 1.00 51.21 H new ATOM 0 HE21 GLN A 64 14.344 1.332 -2.325 1.00 11.21 H new ATOM 0 HE22 GLN A 64 15.302 -0.137 -2.535 1.00 11.21 H new ATOM 1041 N VAL A 65 10.516 2.413 -7.355 1.00 62.24 N ATOM 1042 CA VAL A 65 10.548 3.161 -8.642 1.00 3.12 C ATOM 1043 C VAL A 65 9.433 4.222 -8.674 1.00 31.43 C ATOM 1044 O VAL A 65 9.570 5.273 -9.304 1.00 30.35 O ATOM 1045 CB VAL A 65 10.403 2.184 -9.878 1.00 55.21 C ATOM 1046 CG1 VAL A 65 10.437 2.933 -11.238 1.00 11.43 C ATOM 1047 CG2 VAL A 65 11.474 1.067 -9.843 1.00 52.21 C ATOM 0 H VAL A 65 10.284 1.425 -7.458 1.00 62.24 H new ATOM 0 HA VAL A 65 11.515 3.658 -8.714 1.00 3.12 H new ATOM 0 HB VAL A 65 9.420 1.722 -9.790 1.00 55.21 H new ATOM 0 HG11 VAL A 65 10.334 2.215 -12.052 1.00 11.43 H new ATOM 0 HG12 VAL A 65 9.616 3.649 -11.280 1.00 11.43 H new ATOM 0 HG13 VAL A 65 11.385 3.461 -11.339 1.00 11.43 H new ATOM 0 HG21 VAL A 65 11.346 0.413 -10.706 1.00 52.21 H new ATOM 0 HG22 VAL A 65 12.468 1.515 -9.871 1.00 52.21 H new ATOM 0 HG23 VAL A 65 11.363 0.485 -8.928 1.00 52.21 H new ATOM 1057 N VAL A 66 8.322 3.925 -7.980 1.00 5.41 N ATOM 1058 CA VAL A 66 7.152 4.814 -7.907 1.00 35.44 C ATOM 1059 C VAL A 66 7.041 5.476 -6.505 1.00 2.43 C ATOM 1060 O VAL A 66 5.967 5.971 -6.130 1.00 2.41 O ATOM 1061 CB VAL A 66 5.842 4.017 -8.260 1.00 14.45 C ATOM 1062 CG1 VAL A 66 5.950 3.353 -9.656 1.00 1.12 C ATOM 1063 CG2 VAL A 66 5.512 2.975 -7.180 1.00 22.31 C ATOM 0 H VAL A 66 8.210 3.059 -7.453 1.00 5.41 H new ATOM 0 HA VAL A 66 7.279 5.612 -8.639 1.00 35.44 H new ATOM 0 HB VAL A 66 5.021 4.734 -8.291 1.00 14.45 H new ATOM 0 HG11 VAL A 66 5.030 2.809 -9.873 1.00 1.12 H new ATOM 0 HG12 VAL A 66 6.104 4.121 -10.413 1.00 1.12 H new ATOM 0 HG13 VAL A 66 6.792 2.660 -9.665 1.00 1.12 H new ATOM 0 HG21 VAL A 66 4.602 2.442 -7.455 1.00 22.31 H new ATOM 0 HG22 VAL A 66 6.336 2.266 -7.095 1.00 22.31 H new ATOM 0 HG23 VAL A 66 5.364 3.477 -6.224 1.00 22.31 H new ATOM 1073 N ASN A 67 8.161 5.457 -5.744 1.00 15.25 N ATOM 1074 CA ASN A 67 8.317 6.210 -4.469 1.00 73.24 C ATOM 1075 C ASN A 67 7.289 5.814 -3.376 1.00 61.21 C ATOM 1076 O ASN A 67 6.982 6.610 -2.473 1.00 25.14 O ATOM 1077 CB ASN A 67 8.318 7.742 -4.745 1.00 32.52 C ATOM 1078 CG ASN A 67 9.588 8.252 -5.457 1.00 70.23 C ATOM 1079 OD1 ASN A 67 10.751 7.712 -5.100 1.00 53.44 O flip ATOM 1080 ND2 ASN A 67 9.531 9.156 -6.288 1.00 41.22 N flip ATOM 0 H ASN A 67 8.989 4.917 -5.996 1.00 15.25 H new ATOM 0 HA ASN A 67 9.284 5.928 -4.053 1.00 73.24 H new ATOM 0 HB2 ASN A 67 7.448 7.992 -5.353 1.00 32.52 H new ATOM 0 HB3 ASN A 67 8.208 8.271 -3.798 1.00 32.52 H new ATOM 0 HD21 ASN A 67 8.629 9.555 -6.546 1.00 41.22 H new ATOM 0 HD22 ASN A 67 10.386 9.507 -6.719 1.00 41.22 H new ATOM 1087 N ILE A 68 6.816 4.561 -3.434 1.00 34.52 N ATOM 1088 CA ILE A 68 5.987 3.967 -2.375 1.00 52.11 C ATOM 1089 C ILE A 68 6.927 3.219 -1.423 1.00 34.44 C ATOM 1090 O ILE A 68 7.650 2.304 -1.845 1.00 12.05 O ATOM 1091 CB ILE A 68 4.910 2.959 -2.935 1.00 40.54 C ATOM 1092 CG1 ILE A 68 4.020 3.632 -4.020 1.00 61.22 C ATOM 1093 CG2 ILE A 68 4.040 2.365 -1.792 1.00 72.02 C ATOM 1094 CD1 ILE A 68 3.176 4.794 -3.535 1.00 53.04 C ATOM 0 H ILE A 68 6.997 3.931 -4.216 1.00 34.52 H new ATOM 0 HA ILE A 68 5.441 4.766 -1.873 1.00 52.11 H new ATOM 0 HB ILE A 68 5.447 2.135 -3.405 1.00 40.54 H new ATOM 0 HG12 ILE A 68 4.663 3.983 -4.827 1.00 61.22 H new ATOM 0 HG13 ILE A 68 3.359 2.876 -4.444 1.00 61.22 H new ATOM 0 HG21 ILE A 68 3.309 1.675 -2.213 1.00 72.02 H new ATOM 0 HG22 ILE A 68 4.679 1.832 -1.088 1.00 72.02 H new ATOM 0 HG23 ILE A 68 3.522 3.171 -1.273 1.00 72.02 H new ATOM 0 HD11 ILE A 68 2.594 5.192 -4.366 1.00 53.04 H new ATOM 0 HD12 ILE A 68 2.501 4.451 -2.751 1.00 53.04 H new ATOM 0 HD13 ILE A 68 3.825 5.575 -3.139 1.00 53.04 H new ATOM 1106 N GLN A 69 6.936 3.634 -0.159 1.00 53.43 N ATOM 1107 CA GLN A 69 7.734 2.983 0.878 1.00 53.43 C ATOM 1108 C GLN A 69 7.088 1.643 1.296 1.00 0.30 C ATOM 1109 O GLN A 69 5.874 1.574 1.494 1.00 32.43 O ATOM 1110 CB GLN A 69 7.853 3.922 2.103 1.00 63.01 C ATOM 1111 CG GLN A 69 8.671 3.332 3.265 1.00 15.22 C ATOM 1112 CD GLN A 69 8.729 4.224 4.500 1.00 20.11 C ATOM 1113 OE1 GLN A 69 7.809 4.993 4.773 1.00 63.12 O ATOM 1114 NE2 GLN A 69 9.800 4.105 5.273 1.00 64.40 N ATOM 0 H GLN A 69 6.392 4.429 0.175 1.00 53.43 H new ATOM 0 HA GLN A 69 8.729 2.776 0.483 1.00 53.43 H new ATOM 0 HB2 GLN A 69 8.313 4.858 1.787 1.00 63.01 H new ATOM 0 HB3 GLN A 69 6.852 4.163 2.462 1.00 63.01 H new ATOM 0 HG2 GLN A 69 8.243 2.369 3.545 1.00 15.22 H new ATOM 0 HG3 GLN A 69 9.687 3.141 2.920 1.00 15.22 H new ATOM 0 HE21 GLN A 69 10.545 3.457 5.016 1.00 64.40 H new ATOM 0 HE22 GLN A 69 9.879 4.661 6.124 1.00 64.40 H new ATOM 1123 N THR A 70 7.913 0.594 1.430 1.00 64.32 N ATOM 1124 CA THR A 70 7.486 -0.691 1.977 1.00 34.22 C ATOM 1125 C THR A 70 7.737 -0.674 3.494 1.00 15.02 C ATOM 1126 O THR A 70 8.886 -0.653 3.946 1.00 30.14 O ATOM 1127 CB THR A 70 8.247 -1.882 1.309 1.00 63.05 C ATOM 1128 OG1 THR A 70 8.109 -1.809 -0.120 1.00 72.03 O ATOM 1129 CG2 THR A 70 7.713 -3.237 1.802 1.00 5.25 C ATOM 0 H THR A 70 8.896 0.619 1.160 1.00 64.32 H new ATOM 0 HA THR A 70 6.426 -0.836 1.769 1.00 34.22 H new ATOM 0 HB THR A 70 9.298 -1.804 1.587 1.00 63.05 H new ATOM 0 HG1 THR A 70 7.821 -2.680 -0.466 1.00 72.03 H new ATOM 0 HG21 THR A 70 8.264 -4.043 1.318 1.00 5.25 H new ATOM 0 HG22 THR A 70 7.841 -3.307 2.882 1.00 5.25 H new ATOM 0 HG23 THR A 70 6.655 -3.322 1.556 1.00 5.25 H new ATOM 1137 N ILE A 71 6.654 -0.642 4.265 1.00 41.54 N ATOM 1138 CA ILE A 71 6.714 -0.584 5.727 1.00 1.30 C ATOM 1139 C ILE A 71 7.001 -1.976 6.280 1.00 55.04 C ATOM 1140 O ILE A 71 8.004 -2.194 6.968 1.00 72.23 O ATOM 1141 CB ILE A 71 5.365 -0.039 6.306 1.00 3.13 C ATOM 1142 CG1 ILE A 71 5.061 1.376 5.732 1.00 43.12 C ATOM 1143 CG2 ILE A 71 5.357 -0.037 7.850 1.00 12.05 C ATOM 1144 CD1 ILE A 71 6.013 2.473 6.178 1.00 60.40 C ATOM 0 H ILE A 71 5.704 -0.656 3.894 1.00 41.54 H new ATOM 0 HA ILE A 71 7.514 0.093 6.025 1.00 1.30 H new ATOM 0 HB ILE A 71 4.570 -0.715 5.991 1.00 3.13 H new ATOM 0 HG12 ILE A 71 5.080 1.321 4.644 1.00 43.12 H new ATOM 0 HG13 ILE A 71 4.048 1.657 6.019 1.00 43.12 H new ATOM 0 HG21 ILE A 71 4.403 0.349 8.208 1.00 12.05 H new ATOM 0 HG22 ILE A 71 5.498 -1.054 8.216 1.00 12.05 H new ATOM 0 HG23 ILE A 71 6.165 0.596 8.217 1.00 12.05 H new ATOM 0 HD11 ILE A 71 5.716 3.419 5.724 1.00 60.40 H new ATOM 0 HD12 ILE A 71 5.979 2.565 7.264 1.00 60.40 H new ATOM 0 HD13 ILE A 71 7.027 2.223 5.866 1.00 60.40 H new ATOM 1156 N ALA A 72 6.117 -2.915 5.936 1.00 54.33 N ATOM 1157 CA ALA A 72 6.185 -4.293 6.409 1.00 22.41 C ATOM 1158 C ALA A 72 5.933 -5.246 5.238 1.00 0.23 C ATOM 1159 O ALA A 72 5.314 -4.866 4.235 1.00 40.04 O ATOM 1160 CB ALA A 72 5.165 -4.513 7.536 1.00 64.04 C ATOM 0 H ALA A 72 5.328 -2.735 5.315 1.00 54.33 H new ATOM 0 HA ALA A 72 7.177 -4.496 6.812 1.00 22.41 H new ATOM 0 HB1 ALA A 72 5.223 -5.545 7.883 1.00 64.04 H new ATOM 0 HB2 ALA A 72 5.386 -3.839 8.364 1.00 64.04 H new ATOM 0 HB3 ALA A 72 4.161 -4.312 7.162 1.00 64.04 H new ATOM 1166 N MET A 73 6.455 -6.468 5.362 1.00 72.23 N ATOM 1167 CA MET A 73 6.317 -7.520 4.352 1.00 73.14 C ATOM 1168 C MET A 73 6.533 -8.881 5.029 1.00 74.30 C ATOM 1169 O MET A 73 7.487 -9.035 5.798 1.00 43.43 O ATOM 1170 CB MET A 73 7.343 -7.293 3.196 1.00 14.22 C ATOM 1171 CG MET A 73 7.384 -8.389 2.126 1.00 45.53 C ATOM 1172 SD MET A 73 8.506 -8.002 0.760 1.00 64.33 S ATOM 1173 CE MET A 73 7.681 -6.600 0.000 1.00 54.11 C ATOM 0 H MET A 73 6.993 -6.759 6.178 1.00 72.23 H new ATOM 0 HA MET A 73 5.319 -7.494 3.915 1.00 73.14 H new ATOM 0 HB2 MET A 73 7.113 -6.344 2.711 1.00 14.22 H new ATOM 0 HB3 MET A 73 8.338 -7.196 3.630 1.00 14.22 H new ATOM 0 HG2 MET A 73 7.692 -9.328 2.587 1.00 45.53 H new ATOM 0 HG3 MET A 73 6.379 -8.542 1.732 1.00 45.53 H new ATOM 0 HE1 MET A 73 7.450 -6.833 -1.039 1.00 54.11 H new ATOM 0 HE2 MET A 73 6.757 -6.386 0.538 1.00 54.11 H new ATOM 0 HE3 MET A 73 8.334 -5.728 0.040 1.00 54.11 H new ATOM 1183 N SER A 74 5.628 -9.846 4.774 1.00 14.21 N ATOM 1184 CA SER A 74 5.815 -11.249 5.196 1.00 25.20 C ATOM 1185 C SER A 74 6.931 -11.913 4.380 1.00 14.21 C ATOM 1186 O SER A 74 7.282 -11.444 3.285 1.00 64.31 O ATOM 1187 CB SER A 74 4.499 -12.044 5.048 1.00 61.35 C ATOM 1188 OG SER A 74 3.501 -11.528 5.904 1.00 51.21 O ATOM 0 H SER A 74 4.755 -9.678 4.275 1.00 14.21 H new ATOM 0 HA SER A 74 6.104 -11.252 6.247 1.00 25.20 H new ATOM 0 HB2 SER A 74 4.156 -11.999 4.014 1.00 61.35 H new ATOM 0 HB3 SER A 74 4.676 -13.094 5.280 1.00 61.35 H new ATOM 0 HG SER A 74 3.335 -10.588 5.683 1.00 51.21 H new ATOM 1194 N ARG A 75 7.466 -13.014 4.922 1.00 65.25 N ATOM 1195 CA ARG A 75 8.585 -13.752 4.325 1.00 31.02 C ATOM 1196 C ARG A 75 8.152 -14.371 2.978 1.00 11.21 C ATOM 1197 O ARG A 75 7.014 -14.840 2.853 1.00 64.54 O ATOM 1198 CB ARG A 75 9.068 -14.854 5.322 1.00 12.40 C ATOM 1199 CG ARG A 75 10.425 -15.501 4.975 1.00 20.41 C ATOM 1200 CD ARG A 75 11.559 -14.459 4.894 1.00 11.02 C ATOM 1201 NE ARG A 75 11.604 -13.597 6.101 1.00 25.41 N ATOM 1202 CZ ARG A 75 11.855 -12.279 6.110 1.00 2.54 C ATOM 1203 NH1 ARG A 75 12.097 -11.626 4.971 1.00 24.54 N ATOM 1204 NH2 ARG A 75 11.865 -11.615 7.259 1.00 54.45 N ATOM 0 H ARG A 75 7.131 -13.421 5.795 1.00 65.25 H new ATOM 0 HA ARG A 75 9.414 -13.071 4.130 1.00 31.02 H new ATOM 0 HB2 ARG A 75 9.136 -14.416 6.318 1.00 12.40 H new ATOM 0 HB3 ARG A 75 8.311 -15.637 5.369 1.00 12.40 H new ATOM 0 HG2 ARG A 75 10.673 -16.249 5.728 1.00 20.41 H new ATOM 0 HG3 ARG A 75 10.344 -16.023 4.022 1.00 20.41 H new ATOM 0 HD2 ARG A 75 12.514 -14.970 4.777 1.00 11.02 H new ATOM 0 HD3 ARG A 75 11.419 -13.838 4.009 1.00 11.02 H new ATOM 0 HE ARG A 75 11.429 -14.045 7.001 1.00 25.41 H new ATOM 0 HH11 ARG A 75 12.092 -12.129 4.084 1.00 24.54 H new ATOM 0 HH12 ARG A 75 12.287 -10.624 4.988 1.00 24.54 H new ATOM 0 HH21 ARG A 75 11.682 -12.107 8.134 1.00 54.45 H new ATOM 0 HH22 ARG A 75 12.056 -10.613 7.267 1.00 54.45 H new ATOM 1218 N ALA A 76 9.052 -14.330 1.983 1.00 75.10 N ATOM 1219 CA ALA A 76 8.814 -14.901 0.646 1.00 24.54 C ATOM 1220 C ALA A 76 8.598 -16.419 0.755 1.00 73.40 C ATOM 1221 O ALA A 76 9.422 -17.117 1.365 1.00 71.01 O ATOM 1222 CB ALA A 76 9.998 -14.578 -0.275 1.00 31.22 C ATOM 0 H ALA A 76 9.970 -13.898 2.083 1.00 75.10 H new ATOM 0 HA ALA A 76 7.915 -14.459 0.217 1.00 24.54 H new ATOM 0 HB1 ALA A 76 9.817 -15.002 -1.263 1.00 31.22 H new ATOM 0 HB2 ALA A 76 10.109 -13.497 -0.359 1.00 31.22 H new ATOM 0 HB3 ALA A 76 10.910 -15.005 0.142 1.00 31.22 H new ATOM 1228 N GLY A 77 7.486 -16.914 0.185 1.00 33.05 N ATOM 1229 CA GLY A 77 7.090 -18.326 0.307 1.00 11.33 C ATOM 1230 C GLY A 77 6.119 -18.583 1.462 1.00 10.14 C ATOM 1231 O GLY A 77 5.411 -19.588 1.459 1.00 55.40 O ATOM 0 H GLY A 77 6.841 -16.351 -0.369 1.00 33.05 H new ATOM 0 HA2 GLY A 77 6.628 -18.649 -0.626 1.00 11.33 H new ATOM 0 HA3 GLY A 77 7.982 -18.936 0.449 1.00 11.33 H new ATOM 1235 N SER A 78 6.084 -17.667 2.452 1.00 64.40 N ATOM 1236 CA SER A 78 5.176 -17.763 3.613 1.00 64.20 C ATOM 1237 C SER A 78 3.841 -17.058 3.307 1.00 75.35 C ATOM 1238 O SER A 78 3.822 -15.862 2.982 1.00 3.42 O ATOM 1239 CB SER A 78 5.829 -17.140 4.868 1.00 51.54 C ATOM 1240 OG SER A 78 5.003 -17.285 6.019 1.00 74.03 O ATOM 0 H SER A 78 6.683 -16.842 2.469 1.00 64.40 H new ATOM 0 HA SER A 78 4.982 -18.817 3.810 1.00 64.20 H new ATOM 0 HB2 SER A 78 6.793 -17.615 5.050 1.00 51.54 H new ATOM 0 HB3 SER A 78 6.023 -16.082 4.690 1.00 51.54 H new ATOM 0 HG SER A 78 5.448 -16.882 6.794 1.00 74.03 H new ATOM 1246 N ARG A 79 2.737 -17.823 3.367 1.00 34.01 N ATOM 1247 CA ARG A 79 1.360 -17.299 3.245 1.00 73.43 C ATOM 1248 C ARG A 79 0.579 -17.602 4.552 1.00 40.32 C ATOM 1249 O ARG A 79 0.887 -18.597 5.216 1.00 40.35 O ATOM 1250 CB ARG A 79 0.628 -17.897 1.994 1.00 72.45 C ATOM 1251 CG ARG A 79 0.819 -17.115 0.663 1.00 62.44 C ATOM 1252 CD ARG A 79 2.260 -17.153 0.112 1.00 22.31 C ATOM 1253 NE ARG A 79 2.725 -18.538 -0.133 1.00 51.31 N ATOM 1254 CZ ARG A 79 3.477 -18.942 -1.165 1.00 51.23 C ATOM 1255 NH1 ARG A 79 3.879 -18.083 -2.101 1.00 2.13 N ATOM 1256 NH2 ARG A 79 3.829 -20.216 -1.247 1.00 11.54 N ATOM 0 H ARG A 79 2.773 -18.833 3.503 1.00 34.01 H new ATOM 0 HA ARG A 79 1.405 -16.220 3.098 1.00 73.43 H new ATOM 0 HB2 ARG A 79 0.976 -18.919 1.847 1.00 72.45 H new ATOM 0 HB3 ARG A 79 -0.439 -17.952 2.212 1.00 72.45 H new ATOM 0 HG2 ARG A 79 0.143 -17.526 -0.087 1.00 62.44 H new ATOM 0 HG3 ARG A 79 0.528 -16.076 0.819 1.00 62.44 H new ATOM 0 HD2 ARG A 79 2.308 -16.585 -0.817 1.00 22.31 H new ATOM 0 HD3 ARG A 79 2.931 -16.665 0.819 1.00 22.31 H new ATOM 0 HE ARG A 79 2.448 -19.248 0.545 1.00 51.31 H new ATOM 0 HH11 ARG A 79 3.614 -17.100 -2.038 1.00 2.13 H new ATOM 0 HH12 ARG A 79 4.451 -18.409 -2.880 1.00 2.13 H new ATOM 0 HH21 ARG A 79 3.528 -20.876 -0.530 1.00 11.54 H new ATOM 0 HH22 ARG A 79 4.401 -20.538 -2.027 1.00 11.54 H new ATOM 1270 N PRO A 80 -0.446 -16.775 4.965 1.00 43.15 N ATOM 1271 CA PRO A 80 -0.938 -15.563 4.235 1.00 62.51 C ATOM 1272 C PRO A 80 0.092 -14.412 4.201 1.00 51.53 C ATOM 1273 O PRO A 80 0.493 -13.885 5.248 1.00 54.41 O ATOM 1274 CB PRO A 80 -2.225 -15.149 5.015 1.00 70.52 C ATOM 1275 CG PRO A 80 -2.556 -16.335 5.860 1.00 5.02 C ATOM 1276 CD PRO A 80 -1.235 -16.982 6.199 1.00 22.20 C ATOM 0 HA PRO A 80 -1.124 -15.782 3.184 1.00 62.51 H new ATOM 0 HB2 PRO A 80 -2.050 -14.264 5.627 1.00 70.52 H new ATOM 0 HB3 PRO A 80 -3.041 -14.909 4.333 1.00 70.52 H new ATOM 0 HG2 PRO A 80 -3.087 -16.035 6.763 1.00 5.02 H new ATOM 0 HG3 PRO A 80 -3.204 -17.028 5.324 1.00 5.02 H new ATOM 0 HD2 PRO A 80 -0.765 -16.514 7.064 1.00 22.20 H new ATOM 0 HD3 PRO A 80 -1.351 -18.040 6.433 1.00 22.20 H new ATOM 1284 N TRP A 81 0.525 -14.062 2.972 1.00 22.32 N ATOM 1285 CA TRP A 81 1.550 -13.032 2.758 1.00 32.54 C ATOM 1286 C TRP A 81 0.912 -11.651 2.980 1.00 42.34 C ATOM 1287 O TRP A 81 0.129 -11.183 2.159 1.00 42.43 O ATOM 1288 CB TRP A 81 2.178 -13.157 1.338 1.00 24.21 C ATOM 1289 CG TRP A 81 3.294 -12.159 1.070 1.00 14.41 C ATOM 1290 CD1 TRP A 81 4.630 -12.318 1.334 1.00 60.44 C ATOM 1291 CD2 TRP A 81 3.160 -10.843 0.497 1.00 50.24 C ATOM 1292 NE1 TRP A 81 5.320 -11.185 0.985 1.00 55.50 N ATOM 1293 CE2 TRP A 81 4.439 -10.271 0.462 1.00 72.32 C ATOM 1294 CE3 TRP A 81 2.080 -10.097 0.021 1.00 11.45 C ATOM 1295 CZ2 TRP A 81 4.661 -8.992 -0.035 1.00 23.24 C ATOM 1296 CZ3 TRP A 81 2.307 -8.829 -0.473 1.00 72.00 C ATOM 1297 CH2 TRP A 81 3.590 -8.287 -0.493 1.00 31.34 C ATOM 0 H TRP A 81 0.175 -14.483 2.111 1.00 22.32 H new ATOM 0 HA TRP A 81 2.364 -13.166 3.471 1.00 32.54 H new ATOM 0 HB2 TRP A 81 2.568 -14.167 1.211 1.00 24.21 H new ATOM 0 HB3 TRP A 81 1.395 -13.022 0.592 1.00 24.21 H new ATOM 0 HD1 TRP A 81 5.075 -13.207 1.756 1.00 60.44 H new ATOM 0 HE1 TRP A 81 6.324 -11.044 1.096 1.00 55.50 H new ATOM 0 HE3 TRP A 81 1.081 -10.507 0.039 1.00 11.45 H new ATOM 0 HZ2 TRP A 81 5.655 -8.570 -0.057 1.00 23.24 H new ATOM 0 HZ3 TRP A 81 1.478 -8.248 -0.850 1.00 72.00 H new ATOM 0 HH2 TRP A 81 3.738 -7.289 -0.879 1.00 31.34 H new ATOM 1308 N LYS A 82 1.239 -11.026 4.100 1.00 52.44 N ATOM 1309 CA LYS A 82 0.658 -9.753 4.524 1.00 24.11 C ATOM 1310 C LYS A 82 1.756 -8.683 4.489 1.00 50.24 C ATOM 1311 O LYS A 82 2.898 -8.951 4.866 1.00 23.42 O ATOM 1312 CB LYS A 82 0.067 -9.932 5.945 1.00 0.13 C ATOM 1313 CG LYS A 82 -0.804 -8.766 6.459 1.00 25.44 C ATOM 1314 CD LYS A 82 -1.367 -9.056 7.874 1.00 62.20 C ATOM 1315 CE LYS A 82 -2.320 -7.956 8.369 1.00 34.42 C ATOM 1316 NZ LYS A 82 -2.820 -8.225 9.749 1.00 43.41 N ATOM 0 H LYS A 82 1.929 -11.393 4.756 1.00 52.44 H new ATOM 0 HA LYS A 82 -0.146 -9.436 3.860 1.00 24.11 H new ATOM 0 HB2 LYS A 82 -0.533 -10.842 5.957 1.00 0.13 H new ATOM 0 HB3 LYS A 82 0.889 -10.083 6.644 1.00 0.13 H new ATOM 0 HG2 LYS A 82 -0.212 -7.851 6.483 1.00 25.44 H new ATOM 0 HG3 LYS A 82 -1.628 -8.594 5.767 1.00 25.44 H new ATOM 0 HD2 LYS A 82 -1.894 -10.010 7.863 1.00 62.20 H new ATOM 0 HD3 LYS A 82 -0.540 -9.158 8.576 1.00 62.20 H new ATOM 0 HE2 LYS A 82 -1.805 -6.996 8.352 1.00 34.42 H new ATOM 0 HE3 LYS A 82 -3.166 -7.876 7.687 1.00 34.42 H new ATOM 0 HZ1 LYS A 82 -3.459 -7.459 10.042 1.00 43.41 H new ATOM 0 HZ2 LYS A 82 -3.335 -9.129 9.762 1.00 43.41 H new ATOM 0 HZ3 LYS A 82 -2.015 -8.276 10.406 1.00 43.41 H new ATOM 1330 N ALA A 83 1.406 -7.472 4.056 1.00 53.31 N ATOM 1331 CA ALA A 83 2.369 -6.390 3.837 1.00 40.04 C ATOM 1332 C ALA A 83 1.692 -5.047 4.088 1.00 63.35 C ATOM 1333 O ALA A 83 0.472 -4.922 3.956 1.00 51.01 O ATOM 1334 CB ALA A 83 2.945 -6.451 2.410 1.00 71.13 C ATOM 0 H ALA A 83 0.442 -7.212 3.846 1.00 53.31 H new ATOM 0 HA ALA A 83 3.198 -6.507 4.535 1.00 40.04 H new ATOM 0 HB1 ALA A 83 3.658 -5.638 2.270 1.00 71.13 H new ATOM 0 HB2 ALA A 83 3.450 -7.406 2.262 1.00 71.13 H new ATOM 0 HB3 ALA A 83 2.136 -6.352 1.686 1.00 71.13 H new ATOM 1340 N TYR A 84 2.490 -4.057 4.481 1.00 24.14 N ATOM 1341 CA TYR A 84 2.036 -2.677 4.701 1.00 3.30 C ATOM 1342 C TYR A 84 2.905 -1.708 3.892 1.00 54.32 C ATOM 1343 O TYR A 84 4.122 -1.856 3.855 1.00 23.43 O ATOM 1344 CB TYR A 84 2.090 -2.359 6.212 1.00 62.30 C ATOM 1345 CG TYR A 84 1.014 -3.107 7.039 1.00 13.52 C ATOM 1346 CD1 TYR A 84 -0.346 -2.890 6.782 1.00 4.52 C ATOM 1347 CD2 TYR A 84 1.341 -3.967 8.086 1.00 32.25 C ATOM 1348 CE1 TYR A 84 -1.324 -3.500 7.529 1.00 60.41 C ATOM 1349 CE2 TYR A 84 0.352 -4.592 8.825 1.00 34.21 C ATOM 1350 CZ TYR A 84 -0.974 -4.337 8.549 1.00 21.01 C ATOM 1351 OH TYR A 84 -1.954 -4.934 9.303 1.00 41.11 O ATOM 0 H TYR A 84 3.486 -4.188 4.659 1.00 24.14 H new ATOM 0 HA TYR A 84 1.007 -2.563 4.362 1.00 3.30 H new ATOM 0 HB2 TYR A 84 3.077 -2.619 6.595 1.00 62.30 H new ATOM 0 HB3 TYR A 84 1.965 -1.286 6.354 1.00 62.30 H new ATOM 0 HD1 TYR A 84 -0.632 -2.228 5.978 1.00 4.52 H new ATOM 0 HD2 TYR A 84 2.379 -4.148 8.323 1.00 32.25 H new ATOM 0 HE1 TYR A 84 -2.366 -3.318 7.310 1.00 60.41 H new ATOM 0 HE2 TYR A 84 0.618 -5.278 9.616 1.00 34.21 H new ATOM 0 HH TYR A 84 -2.760 -5.052 8.758 1.00 41.11 H new ATOM 1361 N LEU A 85 2.253 -0.750 3.206 1.00 33.42 N ATOM 1362 CA LEU A 85 2.905 0.249 2.330 1.00 74.31 C ATOM 1363 C LEU A 85 2.487 1.673 2.734 1.00 23.42 C ATOM 1364 O LEU A 85 1.398 1.861 3.266 1.00 72.14 O ATOM 1365 CB LEU A 85 2.502 0.010 0.846 1.00 64.14 C ATOM 1366 CG LEU A 85 2.722 -1.428 0.286 1.00 20.41 C ATOM 1367 CD1 LEU A 85 2.269 -1.527 -1.192 1.00 31.30 C ATOM 1368 CD2 LEU A 85 4.192 -1.891 0.470 1.00 30.14 C ATOM 0 H LEU A 85 1.239 -0.645 3.244 1.00 33.42 H new ATOM 0 HA LEU A 85 3.984 0.141 2.440 1.00 74.31 H new ATOM 0 HB2 LEU A 85 1.447 0.261 0.735 1.00 64.14 H new ATOM 0 HB3 LEU A 85 3.063 0.707 0.224 1.00 64.14 H new ATOM 0 HG LEU A 85 2.098 -2.109 0.865 1.00 20.41 H new ATOM 0 HD11 LEU A 85 2.434 -2.541 -1.556 1.00 31.30 H new ATOM 0 HD12 LEU A 85 1.209 -1.283 -1.265 1.00 31.30 H new ATOM 0 HD13 LEU A 85 2.845 -0.826 -1.797 1.00 31.30 H new ATOM 0 HD21 LEU A 85 4.309 -2.898 0.069 1.00 30.14 H new ATOM 0 HD22 LEU A 85 4.857 -1.209 -0.060 1.00 30.14 H new ATOM 0 HD23 LEU A 85 4.443 -1.892 1.531 1.00 30.14 H new ATOM 1380 N SER A 86 3.343 2.670 2.470 1.00 3.03 N ATOM 1381 CA SER A 86 3.030 4.084 2.741 1.00 52.21 C ATOM 1382 C SER A 86 3.516 4.990 1.613 1.00 2.32 C ATOM 1383 O SER A 86 4.449 4.656 0.876 1.00 4.40 O ATOM 1384 CB SER A 86 3.659 4.538 4.075 1.00 52.14 C ATOM 1385 OG SER A 86 3.071 3.856 5.163 1.00 62.53 O ATOM 0 H SER A 86 4.267 2.523 2.065 1.00 3.03 H new ATOM 0 HA SER A 86 1.945 4.167 2.809 1.00 52.21 H new ATOM 0 HB2 SER A 86 4.733 4.350 4.059 1.00 52.14 H new ATOM 0 HB3 SER A 86 3.526 5.613 4.198 1.00 52.14 H new ATOM 0 HG SER A 86 2.283 3.362 4.853 1.00 62.53 H new ATOM 1391 N ALA A 87 2.842 6.136 1.500 1.00 53.35 N ATOM 1392 CA ALA A 87 3.246 7.246 0.635 1.00 53.02 C ATOM 1393 C ALA A 87 2.699 8.545 1.221 1.00 61.21 C ATOM 1394 O ALA A 87 1.817 8.517 2.075 1.00 70.35 O ATOM 1395 CB ALA A 87 2.737 7.043 -0.801 1.00 31.21 C ATOM 0 H ALA A 87 1.983 6.322 2.018 1.00 53.35 H new ATOM 0 HA ALA A 87 4.334 7.290 0.589 1.00 53.02 H new ATOM 0 HB1 ALA A 87 3.052 7.883 -1.421 1.00 31.21 H new ATOM 0 HB2 ALA A 87 3.149 6.119 -1.206 1.00 31.21 H new ATOM 0 HB3 ALA A 87 1.649 6.984 -0.796 1.00 31.21 H new ATOM 1401 N GLN A 88 3.240 9.670 0.771 1.00 32.54 N ATOM 1402 CA GLN A 88 2.781 11.013 1.163 1.00 33.11 C ATOM 1403 C GLN A 88 2.836 11.866 -0.082 1.00 33.54 C ATOM 1404 O GLN A 88 3.911 12.056 -0.624 1.00 14.21 O ATOM 1405 CB GLN A 88 3.700 11.613 2.259 1.00 55.44 C ATOM 1406 CG GLN A 88 3.732 10.799 3.561 1.00 40.21 C ATOM 1407 CD GLN A 88 4.654 11.348 4.649 1.00 33.11 C ATOM 1408 OE1 GLN A 88 5.195 10.585 5.436 1.00 25.32 O ATOM 1409 NE2 GLN A 88 4.789 12.659 4.748 1.00 55.42 N ATOM 0 H GLN A 88 4.021 9.684 0.115 1.00 32.54 H new ATOM 0 HA GLN A 88 1.773 10.971 1.575 1.00 33.11 H new ATOM 0 HB2 GLN A 88 4.714 11.691 1.866 1.00 55.44 H new ATOM 0 HB3 GLN A 88 3.367 12.626 2.484 1.00 55.44 H new ATOM 0 HG2 GLN A 88 2.719 10.742 3.960 1.00 40.21 H new ATOM 0 HG3 GLN A 88 4.040 9.780 3.326 1.00 40.21 H new ATOM 0 HE21 GLN A 88 4.326 13.272 4.077 1.00 55.42 H new ATOM 0 HE22 GLN A 88 5.356 13.058 5.496 1.00 55.42 H new ATOM 1418 N ASP A 89 1.705 12.354 -0.582 1.00 14.34 N ATOM 1419 CA ASP A 89 1.723 13.127 -1.829 1.00 65.42 C ATOM 1420 C ASP A 89 2.166 14.577 -1.550 1.00 3.22 C ATOM 1421 O ASP A 89 2.332 14.969 -0.393 1.00 13.13 O ATOM 1422 CB ASP A 89 0.356 13.050 -2.550 1.00 34.40 C ATOM 1423 CG ASP A 89 -0.648 14.117 -2.105 1.00 35.42 C ATOM 1424 OD1 ASP A 89 -1.109 14.086 -0.950 1.00 23.11 O ATOM 1425 OD2 ASP A 89 -0.941 15.015 -2.907 1.00 72.43 O ATOM 0 H ASP A 89 0.784 12.235 -0.160 1.00 14.34 H new ATOM 0 HA ASP A 89 2.454 12.689 -2.508 1.00 65.42 H new ATOM 0 HB2 ASP A 89 0.518 13.145 -3.624 1.00 34.40 H new ATOM 0 HB3 ASP A 89 -0.078 12.065 -2.379 1.00 34.40 H new ATOM 1430 N ASP A 90 2.329 15.366 -2.619 1.00 14.21 N ATOM 1431 CA ASP A 90 2.834 16.757 -2.556 1.00 44.33 C ATOM 1432 C ASP A 90 1.907 17.714 -1.757 1.00 75.20 C ATOM 1433 O ASP A 90 2.351 18.780 -1.327 1.00 21.43 O ATOM 1434 CB ASP A 90 3.049 17.297 -3.991 1.00 53.40 C ATOM 1435 CG ASP A 90 1.729 17.452 -4.767 1.00 70.33 C ATOM 1436 OD1 ASP A 90 1.159 16.427 -5.209 1.00 33.33 O ATOM 1437 OD2 ASP A 90 1.253 18.594 -4.921 1.00 73.24 O ATOM 0 H ASP A 90 2.113 15.059 -3.568 1.00 14.21 H new ATOM 0 HA ASP A 90 3.781 16.727 -2.017 1.00 44.33 H new ATOM 0 HB2 ASP A 90 3.552 18.262 -3.941 1.00 53.40 H new ATOM 0 HB3 ASP A 90 3.709 16.621 -4.535 1.00 53.40 H new ATOM 1442 N THR A 91 0.625 17.332 -1.577 1.00 52.10 N ATOM 1443 CA THR A 91 -0.349 18.139 -0.794 1.00 41.24 C ATOM 1444 C THR A 91 -0.343 17.710 0.693 1.00 35.33 C ATOM 1445 O THR A 91 -0.870 18.419 1.562 1.00 15.11 O ATOM 1446 CB THR A 91 -1.800 18.066 -1.378 1.00 32.13 C ATOM 1447 OG1 THR A 91 -2.429 16.805 -1.062 1.00 51.42 O ATOM 1448 CG2 THR A 91 -1.808 18.280 -2.903 1.00 74.11 C ATOM 0 H THR A 91 0.236 16.471 -1.961 1.00 52.10 H new ATOM 0 HA THR A 91 -0.028 19.178 -0.868 1.00 41.24 H new ATOM 0 HB THR A 91 -2.369 18.871 -0.912 1.00 32.13 H new ATOM 0 HG1 THR A 91 -2.138 16.124 -1.704 1.00 51.42 H new ATOM 0 HG21 THR A 91 -2.832 18.223 -3.273 1.00 74.11 H new ATOM 0 HG22 THR A 91 -1.393 19.261 -3.135 1.00 74.11 H new ATOM 0 HG23 THR A 91 -1.205 17.508 -3.382 1.00 74.11 H new ATOM 1456 N GLY A 92 0.275 16.536 0.967 1.00 22.31 N ATOM 1457 CA GLY A 92 0.534 16.071 2.333 1.00 43.41 C ATOM 1458 C GLY A 92 -0.472 15.078 2.888 1.00 33.43 C ATOM 1459 O GLY A 92 -0.533 14.897 4.109 1.00 54.14 O ATOM 0 H GLY A 92 0.603 15.894 0.245 1.00 22.31 H new ATOM 0 HA2 GLY A 92 1.523 15.614 2.361 1.00 43.41 H new ATOM 0 HA3 GLY A 92 0.565 16.938 2.993 1.00 43.41 H new ATOM 1463 N CYS A 93 -1.263 14.433 2.020 1.00 31.32 N ATOM 1464 CA CYS A 93 -2.167 13.349 2.447 1.00 74.41 C ATOM 1465 C CYS A 93 -1.318 12.110 2.833 1.00 31.41 C ATOM 1466 O CYS A 93 -0.485 11.655 2.040 1.00 3.32 O ATOM 1467 CB CYS A 93 -3.189 13.006 1.338 1.00 13.24 C ATOM 1468 SG CYS A 93 -4.145 14.426 0.743 1.00 32.14 S ATOM 0 H CYS A 93 -1.298 14.640 1.022 1.00 31.32 H new ATOM 0 HA CYS A 93 -2.739 13.676 3.315 1.00 74.41 H new ATOM 0 HB2 CYS A 93 -2.659 12.561 0.496 1.00 13.24 H new ATOM 0 HB3 CYS A 93 -3.878 12.251 1.716 1.00 13.24 H new ATOM 0 HG CYS A 93 -3.368 15.220 0.068 1.00 32.14 H new ATOM 1474 N LEU A 94 -1.495 11.614 4.073 1.00 55.50 N ATOM 1475 CA LEU A 94 -0.719 10.473 4.598 1.00 32.23 C ATOM 1476 C LEU A 94 -1.406 9.176 4.151 1.00 34.30 C ATOM 1477 O LEU A 94 -2.445 8.843 4.676 1.00 44.32 O ATOM 1478 CB LEU A 94 -0.648 10.591 6.162 1.00 71.02 C ATOM 1479 CG LEU A 94 0.408 9.725 6.928 1.00 71.44 C ATOM 1480 CD1 LEU A 94 0.033 8.238 6.961 1.00 22.23 C ATOM 1481 CD2 LEU A 94 1.809 9.913 6.343 1.00 23.42 C ATOM 0 H LEU A 94 -2.174 11.989 4.735 1.00 55.50 H new ATOM 0 HA LEU A 94 0.301 10.470 4.214 1.00 32.23 H new ATOM 0 HB2 LEU A 94 -0.461 11.636 6.408 1.00 71.02 H new ATOM 0 HB3 LEU A 94 -1.632 10.342 6.559 1.00 71.02 H new ATOM 0 HG LEU A 94 0.412 10.081 7.958 1.00 71.44 H new ATOM 0 HD11 LEU A 94 0.798 7.682 7.504 1.00 22.23 H new ATOM 0 HD12 LEU A 94 -0.928 8.116 7.461 1.00 22.23 H new ATOM 0 HD13 LEU A 94 -0.038 7.858 5.942 1.00 22.23 H new ATOM 0 HD21 LEU A 94 2.520 9.299 6.896 1.00 23.42 H new ATOM 0 HD22 LEU A 94 1.809 9.613 5.295 1.00 23.42 H new ATOM 0 HD23 LEU A 94 2.098 10.961 6.420 1.00 23.42 H new ATOM 1493 N PHE A 95 -0.776 8.427 3.238 1.00 64.34 N ATOM 1494 CA PHE A 95 -1.363 7.205 2.637 1.00 35.22 C ATOM 1495 C PHE A 95 -0.827 5.961 3.350 1.00 72.31 C ATOM 1496 O PHE A 95 0.391 5.796 3.477 1.00 63.34 O ATOM 1497 CB PHE A 95 -1.032 7.099 1.125 1.00 33.10 C ATOM 1498 CG PHE A 95 -1.611 8.224 0.267 1.00 1.25 C ATOM 1499 CD1 PHE A 95 -2.896 8.134 -0.266 1.00 40.12 C ATOM 1500 CD2 PHE A 95 -0.872 9.367 -0.006 1.00 21.51 C ATOM 1501 CE1 PHE A 95 -3.418 9.148 -1.044 1.00 2.24 C ATOM 1502 CE2 PHE A 95 -1.393 10.382 -0.782 1.00 33.11 C ATOM 1503 CZ PHE A 95 -2.663 10.273 -1.304 1.00 12.52 C ATOM 0 H PHE A 95 0.157 8.645 2.889 1.00 64.34 H new ATOM 0 HA PHE A 95 -2.445 7.269 2.754 1.00 35.22 H new ATOM 0 HB2 PHE A 95 0.051 7.088 1.003 1.00 33.10 H new ATOM 0 HB3 PHE A 95 -1.405 6.146 0.751 1.00 33.10 H new ATOM 0 HD1 PHE A 95 -3.493 7.256 -0.067 1.00 40.12 H new ATOM 0 HD2 PHE A 95 0.126 9.463 0.395 1.00 21.51 H new ATOM 0 HE1 PHE A 95 -4.416 9.061 -1.448 1.00 2.24 H new ATOM 0 HE2 PHE A 95 -0.803 11.265 -0.981 1.00 33.11 H new ATOM 0 HZ PHE A 95 -3.067 11.066 -1.915 1.00 12.52 H new ATOM 1513 N LEU A 96 -1.746 5.098 3.805 1.00 61.43 N ATOM 1514 CA LEU A 96 -1.423 3.786 4.392 1.00 55.31 C ATOM 1515 C LEU A 96 -2.179 2.701 3.605 1.00 13.21 C ATOM 1516 O LEU A 96 -3.375 2.838 3.367 1.00 4.13 O ATOM 1517 CB LEU A 96 -1.838 3.753 5.887 1.00 63.21 C ATOM 1518 CG LEU A 96 -1.232 4.863 6.791 1.00 70.32 C ATOM 1519 CD1 LEU A 96 -1.784 4.792 8.225 1.00 42.42 C ATOM 1520 CD2 LEU A 96 0.313 4.818 6.791 1.00 20.31 C ATOM 0 H LEU A 96 -2.747 5.292 3.776 1.00 61.43 H new ATOM 0 HA LEU A 96 -0.350 3.606 4.333 1.00 55.31 H new ATOM 0 HB2 LEU A 96 -2.924 3.821 5.943 1.00 63.21 H new ATOM 0 HB3 LEU A 96 -1.557 2.784 6.299 1.00 63.21 H new ATOM 0 HG LEU A 96 -1.536 5.820 6.366 1.00 70.32 H new ATOM 0 HD11 LEU A 96 -1.337 5.584 8.827 1.00 42.42 H new ATOM 0 HD12 LEU A 96 -2.866 4.919 8.205 1.00 42.42 H new ATOM 0 HD13 LEU A 96 -1.540 3.823 8.661 1.00 42.42 H new ATOM 0 HD21 LEU A 96 0.700 5.609 7.434 1.00 20.31 H new ATOM 0 HD22 LEU A 96 0.649 3.850 7.164 1.00 20.31 H new ATOM 0 HD23 LEU A 96 0.681 4.963 5.775 1.00 20.31 H new ATOM 1532 N THR A 97 -1.478 1.654 3.167 1.00 23.52 N ATOM 1533 CA THR A 97 -2.073 0.545 2.402 1.00 62.12 C ATOM 1534 C THR A 97 -1.739 -0.799 3.061 1.00 33.53 C ATOM 1535 O THR A 97 -0.676 -0.957 3.658 1.00 52.40 O ATOM 1536 CB THR A 97 -1.564 0.571 0.920 1.00 43.34 C ATOM 1537 OG1 THR A 97 -1.776 1.880 0.380 1.00 71.25 O ATOM 1538 CG2 THR A 97 -2.278 -0.468 0.015 1.00 13.04 C ATOM 0 H THR A 97 -0.477 1.546 3.331 1.00 23.52 H new ATOM 0 HA THR A 97 -3.156 0.667 2.398 1.00 62.12 H new ATOM 0 HB THR A 97 -0.505 0.312 0.937 1.00 43.34 H new ATOM 0 HG1 THR A 97 -1.123 2.051 -0.330 1.00 71.25 H new ATOM 0 HG21 THR A 97 -1.882 -0.401 -0.998 1.00 13.04 H new ATOM 0 HG22 THR A 97 -2.106 -1.471 0.406 1.00 13.04 H new ATOM 0 HG23 THR A 97 -3.348 -0.263 0.001 1.00 13.04 H new ATOM 1546 N GLU A 98 -2.686 -1.738 2.962 1.00 44.44 N ATOM 1547 CA GLU A 98 -2.526 -3.119 3.402 1.00 22.23 C ATOM 1548 C GLU A 98 -2.682 -4.059 2.204 1.00 13.03 C ATOM 1549 O GLU A 98 -3.525 -3.834 1.331 1.00 3.15 O ATOM 1550 CB GLU A 98 -3.591 -3.447 4.477 1.00 40.33 C ATOM 1551 CG GLU A 98 -3.574 -4.895 5.005 1.00 4.14 C ATOM 1552 CD GLU A 98 -4.659 -5.155 6.063 1.00 4.04 C ATOM 1553 OE1 GLU A 98 -5.829 -5.390 5.686 1.00 41.02 O ATOM 1554 OE2 GLU A 98 -4.355 -5.104 7.274 1.00 3.35 O ATOM 0 H GLU A 98 -3.606 -1.549 2.563 1.00 44.44 H new ATOM 0 HA GLU A 98 -1.534 -3.253 3.832 1.00 22.23 H new ATOM 0 HB2 GLU A 98 -3.453 -2.769 5.320 1.00 40.33 H new ATOM 0 HB3 GLU A 98 -4.577 -3.241 4.061 1.00 40.33 H new ATOM 0 HG2 GLU A 98 -3.714 -5.583 4.171 1.00 4.14 H new ATOM 0 HG3 GLU A 98 -2.595 -5.109 5.434 1.00 4.14 H new ATOM 1561 N LEU A 99 -1.840 -5.095 2.180 1.00 52.24 N ATOM 1562 CA LEU A 99 -1.894 -6.188 1.217 1.00 61.22 C ATOM 1563 C LEU A 99 -2.013 -7.500 2.006 1.00 30.44 C ATOM 1564 O LEU A 99 -1.269 -7.709 2.970 1.00 75.22 O ATOM 1565 CB LEU A 99 -0.623 -6.195 0.328 1.00 15.14 C ATOM 1566 CG LEU A 99 -0.384 -4.929 -0.564 1.00 23.04 C ATOM 1567 CD1 LEU A 99 0.921 -5.073 -1.389 1.00 1.15 C ATOM 1568 CD2 LEU A 99 -1.603 -4.641 -1.491 1.00 60.55 C ATOM 0 H LEU A 99 -1.080 -5.196 2.853 1.00 52.24 H new ATOM 0 HA LEU A 99 -2.752 -6.068 0.555 1.00 61.22 H new ATOM 0 HB2 LEU A 99 0.245 -6.325 0.975 1.00 15.14 H new ATOM 0 HB3 LEU A 99 -0.668 -7.068 -0.324 1.00 15.14 H new ATOM 0 HG LEU A 99 -0.273 -4.074 0.102 1.00 23.04 H new ATOM 0 HD11 LEU A 99 1.065 -4.182 -2.000 1.00 1.15 H new ATOM 0 HD12 LEU A 99 1.768 -5.190 -0.713 1.00 1.15 H new ATOM 0 HD13 LEU A 99 0.848 -5.948 -2.035 1.00 1.15 H new ATOM 0 HD21 LEU A 99 -1.400 -3.756 -2.094 1.00 60.55 H new ATOM 0 HD22 LEU A 99 -1.772 -5.496 -2.146 1.00 60.55 H new ATOM 0 HD23 LEU A 99 -2.491 -4.469 -0.882 1.00 60.55 H new ATOM 1580 N LEU A 100 -2.972 -8.358 1.637 1.00 14.20 N ATOM 1581 CA LEU A 100 -3.144 -9.678 2.272 1.00 22.32 C ATOM 1582 C LEU A 100 -3.366 -10.738 1.171 1.00 14.33 C ATOM 1583 O LEU A 100 -4.410 -10.755 0.529 1.00 72.02 O ATOM 1584 CB LEU A 100 -4.338 -9.638 3.283 1.00 63.15 C ATOM 1585 CG LEU A 100 -4.299 -10.663 4.476 1.00 63.22 C ATOM 1586 CD1 LEU A 100 -5.518 -10.467 5.399 1.00 43.44 C ATOM 1587 CD2 LEU A 100 -4.190 -12.138 4.008 1.00 11.15 C ATOM 0 H LEU A 100 -3.647 -8.163 0.897 1.00 14.20 H new ATOM 0 HA LEU A 100 -2.249 -9.943 2.835 1.00 22.32 H new ATOM 0 HB2 LEU A 100 -4.394 -8.633 3.702 1.00 63.15 H new ATOM 0 HB3 LEU A 100 -5.260 -9.803 2.725 1.00 63.15 H new ATOM 0 HG LEU A 100 -3.389 -10.453 5.039 1.00 63.22 H new ATOM 0 HD11 LEU A 100 -5.473 -11.185 6.218 1.00 43.44 H new ATOM 0 HD12 LEU A 100 -5.510 -9.455 5.803 1.00 43.44 H new ATOM 0 HD13 LEU A 100 -6.434 -10.623 4.830 1.00 43.44 H new ATOM 0 HD21 LEU A 100 -4.168 -12.795 4.878 1.00 11.15 H new ATOM 0 HD22 LEU A 100 -5.050 -12.387 3.387 1.00 11.15 H new ATOM 0 HD23 LEU A 100 -3.275 -12.270 3.430 1.00 11.15 H new ATOM 1599 N LEU A 101 -2.396 -11.653 1.001 1.00 72.34 N ATOM 1600 CA LEU A 101 -2.448 -12.704 -0.019 1.00 52.33 C ATOM 1601 C LEU A 101 -2.782 -14.025 0.677 1.00 61.41 C ATOM 1602 O LEU A 101 -2.040 -14.461 1.557 1.00 72.02 O ATOM 1603 CB LEU A 101 -1.098 -12.823 -0.768 1.00 10.51 C ATOM 1604 CG LEU A 101 -1.056 -13.855 -1.937 1.00 62.51 C ATOM 1605 CD1 LEU A 101 -2.054 -13.483 -3.063 1.00 65.05 C ATOM 1606 CD2 LEU A 101 0.381 -14.007 -2.488 1.00 52.41 C ATOM 0 H LEU A 101 -1.551 -11.681 1.572 1.00 72.34 H new ATOM 0 HA LEU A 101 -3.211 -12.457 -0.758 1.00 52.33 H new ATOM 0 HB2 LEU A 101 -0.837 -11.842 -1.166 1.00 10.51 H new ATOM 0 HB3 LEU A 101 -0.326 -13.090 -0.046 1.00 10.51 H new ATOM 0 HG LEU A 101 -1.366 -14.820 -1.536 1.00 62.51 H new ATOM 0 HD11 LEU A 101 -1.996 -14.225 -3.860 1.00 65.05 H new ATOM 0 HD12 LEU A 101 -3.066 -13.462 -2.660 1.00 65.05 H new ATOM 0 HD13 LEU A 101 -1.802 -12.501 -3.463 1.00 65.05 H new ATOM 0 HD21 LEU A 101 0.384 -14.732 -3.302 1.00 52.41 H new ATOM 0 HD22 LEU A 101 0.732 -13.044 -2.858 1.00 52.41 H new ATOM 0 HD23 LEU A 101 1.041 -14.352 -1.692 1.00 52.41 H new ATOM 1618 N GLU A 102 -3.895 -14.640 0.265 1.00 62.34 N ATOM 1619 CA GLU A 102 -4.397 -15.897 0.844 1.00 62.40 C ATOM 1620 C GLU A 102 -3.434 -17.088 0.584 1.00 11.23 C ATOM 1621 O GLU A 102 -2.663 -17.057 -0.388 1.00 52.43 O ATOM 1622 CB GLU A 102 -5.801 -16.188 0.257 1.00 45.13 C ATOM 1623 CG GLU A 102 -6.883 -15.180 0.662 1.00 21.52 C ATOM 1624 CD GLU A 102 -7.198 -15.228 2.165 1.00 53.32 C ATOM 1625 OE1 GLU A 102 -7.824 -16.216 2.609 1.00 44.43 O ATOM 1626 OE2 GLU A 102 -6.820 -14.297 2.907 1.00 23.22 O ATOM 0 H GLU A 102 -4.481 -14.278 -0.487 1.00 62.34 H new ATOM 0 HA GLU A 102 -4.460 -15.781 1.926 1.00 62.40 H new ATOM 0 HB2 GLU A 102 -5.729 -16.207 -0.830 1.00 45.13 H new ATOM 0 HB3 GLU A 102 -6.113 -17.183 0.573 1.00 45.13 H new ATOM 0 HG2 GLU A 102 -6.557 -14.175 0.394 1.00 21.52 H new ATOM 0 HG3 GLU A 102 -7.793 -15.382 0.097 1.00 21.52 H new ATOM 1633 N PRO A 103 -3.458 -18.144 1.475 1.00 45.03 N ATOM 1634 CA PRO A 103 -2.638 -19.364 1.305 1.00 1.03 C ATOM 1635 C PRO A 103 -2.951 -20.128 -0.005 1.00 41.51 C ATOM 1636 O PRO A 103 -2.121 -20.174 -0.919 1.00 65.02 O ATOM 1637 CB PRO A 103 -2.978 -20.220 2.564 1.00 53.41 C ATOM 1638 CG PRO A 103 -3.542 -19.256 3.552 1.00 44.24 C ATOM 1639 CD PRO A 103 -4.254 -18.204 2.734 1.00 52.31 C ATOM 0 HA PRO A 103 -1.577 -19.127 1.222 1.00 1.03 H new ATOM 0 HB2 PRO A 103 -3.696 -21.004 2.325 1.00 53.41 H new ATOM 0 HB3 PRO A 103 -2.089 -20.712 2.958 1.00 53.41 H new ATOM 0 HG2 PRO A 103 -4.230 -19.753 4.235 1.00 44.24 H new ATOM 0 HG3 PRO A 103 -2.754 -18.812 4.160 1.00 44.24 H new ATOM 0 HD2 PRO A 103 -5.291 -18.480 2.541 1.00 52.31 H new ATOM 0 HD3 PRO A 103 -4.270 -17.241 3.245 1.00 52.31 H new ATOM 1647 N GLY A 104 -4.162 -20.703 -0.073 1.00 2.21 N ATOM 1648 CA GLY A 104 -4.594 -21.512 -1.217 1.00 64.53 C ATOM 1649 C GLY A 104 -5.127 -20.668 -2.354 1.00 3.30 C ATOM 1650 O GLY A 104 -4.872 -20.958 -3.529 1.00 73.14 O ATOM 0 H GLY A 104 -4.865 -20.619 0.662 1.00 2.21 H new ATOM 0 HA2 GLY A 104 -3.754 -22.109 -1.574 1.00 64.53 H new ATOM 0 HA3 GLY A 104 -5.366 -22.210 -0.894 1.00 64.53 H new ATOM 1654 N ASN A 105 -5.875 -19.622 -1.994 1.00 64.35 N ATOM 1655 CA ASN A 105 -6.464 -18.685 -2.961 1.00 44.00 C ATOM 1656 C ASN A 105 -5.389 -17.697 -3.437 1.00 71.34 C ATOM 1657 O ASN A 105 -4.674 -17.118 -2.618 1.00 14.54 O ATOM 1658 CB ASN A 105 -7.654 -17.912 -2.338 1.00 0.33 C ATOM 1659 CG ASN A 105 -8.802 -18.816 -1.882 1.00 52.23 C ATOM 1660 OD1 ASN A 105 -9.055 -19.860 -2.472 1.00 60.52 O ATOM 1661 ND2 ASN A 105 -9.500 -18.424 -0.829 1.00 54.11 N ATOM 0 H ASN A 105 -6.091 -19.398 -1.023 1.00 64.35 H new ATOM 0 HA ASN A 105 -6.841 -19.256 -3.810 1.00 44.00 H new ATOM 0 HB2 ASN A 105 -7.295 -17.336 -1.485 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -8.034 -17.197 -3.068 1.00 0.33 H new ATOM 0 HD21 ASN A 105 -10.272 -18.996 -0.488 1.00 54.11 H new ATOM 0 HD22 ASN A 105 -9.266 -17.550 -0.358 1.00 54.11 H new ATOM 1668 N SER A 106 -5.291 -17.515 -4.764 1.00 34.24 N ATOM 1669 CA SER A 106 -4.378 -16.546 -5.390 1.00 23.34 C ATOM 1670 C SER A 106 -5.084 -15.175 -5.452 1.00 53.12 C ATOM 1671 O SER A 106 -5.278 -14.581 -6.518 1.00 23.12 O ATOM 1672 CB SER A 106 -3.950 -17.077 -6.784 1.00 54.33 C ATOM 1673 OG SER A 106 -5.074 -17.444 -7.574 1.00 24.44 O ATOM 0 H SER A 106 -5.848 -18.041 -5.438 1.00 34.24 H new ATOM 0 HA SER A 106 -3.466 -16.418 -4.807 1.00 23.34 H new ATOM 0 HB2 SER A 106 -3.374 -16.312 -7.304 1.00 54.33 H new ATOM 0 HB3 SER A 106 -3.295 -17.939 -6.660 1.00 54.33 H new ATOM 0 HG SER A 106 -4.768 -17.772 -8.445 1.00 24.44 H new ATOM 1679 N GLU A 107 -5.490 -14.700 -4.264 1.00 1.14 N ATOM 1680 CA GLU A 107 -6.335 -13.521 -4.101 1.00 24.12 C ATOM 1681 C GLU A 107 -5.707 -12.587 -3.064 1.00 64.03 C ATOM 1682 O GLU A 107 -5.321 -13.022 -1.974 1.00 42.22 O ATOM 1683 CB GLU A 107 -7.744 -13.973 -3.649 1.00 53.42 C ATOM 1684 CG GLU A 107 -8.774 -12.838 -3.534 1.00 51.23 C ATOM 1685 CD GLU A 107 -10.080 -13.292 -2.854 1.00 63.31 C ATOM 1686 OE1 GLU A 107 -10.144 -13.283 -1.606 1.00 1.41 O ATOM 1687 OE2 GLU A 107 -11.038 -13.662 -3.561 1.00 21.15 O ATOM 0 H GLU A 107 -5.232 -15.136 -3.379 1.00 1.14 H new ATOM 0 HA GLU A 107 -6.421 -12.983 -5.045 1.00 24.12 H new ATOM 0 HB2 GLU A 107 -8.117 -14.714 -4.355 1.00 53.42 H new ATOM 0 HB3 GLU A 107 -7.659 -14.468 -2.682 1.00 53.42 H new ATOM 0 HG2 GLU A 107 -8.340 -12.014 -2.967 1.00 51.23 H new ATOM 0 HG3 GLU A 107 -9.000 -12.455 -4.529 1.00 51.23 H new ATOM 1694 N MET A 108 -5.636 -11.305 -3.419 1.00 42.41 N ATOM 1695 CA MET A 108 -5.042 -10.240 -2.601 1.00 1.52 C ATOM 1696 C MET A 108 -6.141 -9.276 -2.126 1.00 21.04 C ATOM 1697 O MET A 108 -7.001 -8.882 -2.906 1.00 53.14 O ATOM 1698 CB MET A 108 -3.978 -9.475 -3.433 1.00 3.23 C ATOM 1699 CG MET A 108 -3.402 -8.224 -2.757 1.00 23.11 C ATOM 1700 SD MET A 108 -2.531 -8.575 -1.225 1.00 21.14 S ATOM 1701 CE MET A 108 -1.035 -9.348 -1.821 1.00 20.43 C ATOM 0 H MET A 108 -6.000 -10.965 -4.309 1.00 42.41 H new ATOM 0 HA MET A 108 -4.559 -10.679 -1.728 1.00 1.52 H new ATOM 0 HB2 MET A 108 -3.158 -10.156 -3.661 1.00 3.23 H new ATOM 0 HB3 MET A 108 -4.424 -9.183 -4.384 1.00 3.23 H new ATOM 0 HG2 MET A 108 -2.720 -7.728 -3.448 1.00 23.11 H new ATOM 0 HG3 MET A 108 -4.213 -7.525 -2.553 1.00 23.11 H new ATOM 0 HE1 MET A 108 -0.478 -9.760 -0.979 1.00 20.43 H new ATOM 0 HE2 MET A 108 -1.291 -10.150 -2.514 1.00 20.43 H new ATOM 0 HE3 MET A 108 -0.422 -8.607 -2.334 1.00 20.43 H new ATOM 1711 N GLN A 109 -6.112 -8.904 -0.845 1.00 31.42 N ATOM 1712 CA GLN A 109 -7.003 -7.890 -0.277 1.00 1.22 C ATOM 1713 C GLN A 109 -6.216 -6.590 -0.101 1.00 53.13 C ATOM 1714 O GLN A 109 -5.160 -6.587 0.545 1.00 64.11 O ATOM 1715 CB GLN A 109 -7.561 -8.371 1.077 1.00 71.25 C ATOM 1716 CG GLN A 109 -8.495 -7.360 1.780 1.00 65.22 C ATOM 1717 CD GLN A 109 -8.944 -7.792 3.185 1.00 75.15 C ATOM 1718 OE1 GLN A 109 -8.109 -8.541 3.903 1.00 11.22 O flip ATOM 1719 NE2 GLN A 109 -10.029 -7.435 3.635 1.00 52.03 N flip ATOM 0 H GLN A 109 -5.463 -9.302 -0.166 1.00 31.42 H new ATOM 0 HA GLN A 109 -7.845 -7.719 -0.947 1.00 1.22 H new ATOM 0 HB2 GLN A 109 -8.106 -9.302 0.921 1.00 71.25 H new ATOM 0 HB3 GLN A 109 -6.726 -8.597 1.740 1.00 71.25 H new ATOM 0 HG2 GLN A 109 -7.984 -6.400 1.853 1.00 65.22 H new ATOM 0 HG3 GLN A 109 -9.378 -7.205 1.160 1.00 65.22 H new ATOM 0 HE21 GLN A 109 -10.653 -6.861 3.067 1.00 52.03 H new ATOM 0 HE22 GLN A 109 -10.307 -7.712 4.577 1.00 52.03 H new ATOM 1728 N ILE A 110 -6.726 -5.503 -0.696 1.00 31.11 N ATOM 1729 CA ILE A 110 -6.107 -4.172 -0.625 1.00 50.33 C ATOM 1730 C ILE A 110 -6.994 -3.279 0.272 1.00 21.02 C ATOM 1731 O ILE A 110 -8.160 -3.039 -0.051 1.00 32.21 O ATOM 1732 CB ILE A 110 -5.927 -3.492 -2.061 1.00 71.25 C ATOM 1733 CG1 ILE A 110 -5.144 -4.419 -3.073 1.00 10.32 C ATOM 1734 CG2 ILE A 110 -5.215 -2.118 -1.927 1.00 43.41 C ATOM 1735 CD1 ILE A 110 -5.963 -5.546 -3.707 1.00 23.25 C ATOM 0 H ILE A 110 -7.586 -5.523 -1.244 1.00 31.11 H new ATOM 0 HA ILE A 110 -5.105 -4.282 -0.210 1.00 50.33 H new ATOM 0 HB ILE A 110 -6.926 -3.341 -2.469 1.00 71.25 H new ATOM 0 HG12 ILE A 110 -4.739 -3.796 -3.870 1.00 10.32 H new ATOM 0 HG13 ILE A 110 -4.295 -4.860 -2.551 1.00 10.32 H new ATOM 0 HG21 ILE A 110 -5.101 -1.670 -2.914 1.00 43.41 H new ATOM 0 HG22 ILE A 110 -5.811 -1.459 -1.296 1.00 43.41 H new ATOM 0 HG23 ILE A 110 -4.232 -2.260 -1.477 1.00 43.41 H new ATOM 0 HD11 ILE A 110 -5.330 -6.120 -4.384 1.00 23.25 H new ATOM 0 HD12 ILE A 110 -6.346 -6.202 -2.925 1.00 23.25 H new ATOM 0 HD13 ILE A 110 -6.797 -5.120 -4.265 1.00 23.25 H new ATOM 1747 N SER A 111 -6.452 -2.820 1.408 1.00 11.44 N ATOM 1748 CA SER A 111 -7.155 -1.894 2.314 1.00 75.14 C ATOM 1749 C SER A 111 -6.397 -0.553 2.321 1.00 70.44 C ATOM 1750 O SER A 111 -5.287 -0.470 2.846 1.00 75.50 O ATOM 1751 CB SER A 111 -7.248 -2.503 3.734 1.00 54.25 C ATOM 1752 OG SER A 111 -8.044 -1.701 4.598 1.00 2.11 O ATOM 0 H SER A 111 -5.518 -3.077 1.726 1.00 11.44 H new ATOM 0 HA SER A 111 -8.175 -1.724 1.969 1.00 75.14 H new ATOM 0 HB2 SER A 111 -7.673 -3.505 3.673 1.00 54.25 H new ATOM 0 HB3 SER A 111 -6.247 -2.606 4.152 1.00 54.25 H new ATOM 0 HG SER A 111 -8.928 -2.111 4.703 1.00 2.11 H new ATOM 1758 N VAL A 112 -6.984 0.475 1.684 1.00 21.21 N ATOM 1759 CA VAL A 112 -6.384 1.815 1.568 1.00 14.42 C ATOM 1760 C VAL A 112 -7.052 2.770 2.575 1.00 13.33 C ATOM 1761 O VAL A 112 -8.275 2.957 2.553 1.00 51.20 O ATOM 1762 CB VAL A 112 -6.534 2.399 0.107 1.00 14.45 C ATOM 1763 CG1 VAL A 112 -5.820 3.771 -0.024 1.00 24.21 C ATOM 1764 CG2 VAL A 112 -6.022 1.395 -0.958 1.00 14.53 C ATOM 0 H VAL A 112 -7.895 0.398 1.232 1.00 21.21 H new ATOM 0 HA VAL A 112 -5.320 1.724 1.786 1.00 14.42 H new ATOM 0 HB VAL A 112 -7.596 2.559 -0.077 1.00 14.45 H new ATOM 0 HG11 VAL A 112 -5.940 4.148 -1.040 1.00 24.21 H new ATOM 0 HG12 VAL A 112 -6.259 4.478 0.680 1.00 24.21 H new ATOM 0 HG13 VAL A 112 -4.759 3.651 0.196 1.00 24.21 H new ATOM 0 HG21 VAL A 112 -6.139 1.827 -1.952 1.00 14.53 H new ATOM 0 HG22 VAL A 112 -4.969 1.179 -0.778 1.00 14.53 H new ATOM 0 HG23 VAL A 112 -6.598 0.472 -0.894 1.00 14.53 H new ATOM 1774 N LYS A 113 -6.242 3.356 3.467 1.00 1.34 N ATOM 1775 CA LYS A 113 -6.694 4.356 4.443 1.00 43.43 C ATOM 1776 C LYS A 113 -5.661 5.480 4.470 1.00 71.04 C ATOM 1777 O LYS A 113 -4.542 5.280 4.949 1.00 33.31 O ATOM 1778 CB LYS A 113 -6.845 3.746 5.876 1.00 62.34 C ATOM 1779 CG LYS A 113 -7.555 2.379 5.931 1.00 54.43 C ATOM 1780 CD LYS A 113 -8.050 2.010 7.340 1.00 44.21 C ATOM 1781 CE LYS A 113 -6.971 2.075 8.419 1.00 33.53 C ATOM 1782 NZ LYS A 113 -7.459 1.503 9.696 1.00 44.30 N ATOM 0 H LYS A 113 -5.246 3.147 3.532 1.00 1.34 H new ATOM 0 HA LYS A 113 -7.675 4.726 4.146 1.00 43.43 H new ATOM 0 HB2 LYS A 113 -5.853 3.641 6.316 1.00 62.34 H new ATOM 0 HB3 LYS A 113 -7.397 4.451 6.498 1.00 62.34 H new ATOM 0 HG2 LYS A 113 -8.403 2.389 5.246 1.00 54.43 H new ATOM 0 HG3 LYS A 113 -6.871 1.607 5.579 1.00 54.43 H new ATOM 0 HD2 LYS A 113 -8.864 2.681 7.615 1.00 44.21 H new ATOM 0 HD3 LYS A 113 -8.463 1.002 7.315 1.00 44.21 H new ATOM 0 HE2 LYS A 113 -6.087 1.530 8.087 1.00 33.53 H new ATOM 0 HE3 LYS A 113 -6.668 3.111 8.573 1.00 33.53 H new ATOM 0 HZ1 LYS A 113 -6.760 1.681 10.446 1.00 44.30 H new ATOM 0 HZ2 LYS A 113 -8.363 1.948 9.953 1.00 44.30 H new ATOM 0 HZ3 LYS A 113 -7.597 0.478 9.587 1.00 44.30 H new ATOM 1796 N GLN A 114 -6.018 6.645 3.922 1.00 45.52 N ATOM 1797 CA GLN A 114 -5.199 7.849 4.029 1.00 65.35 C ATOM 1798 C GLN A 114 -5.775 8.766 5.107 1.00 12.21 C ATOM 1799 O GLN A 114 -6.921 8.608 5.523 1.00 21.13 O ATOM 1800 CB GLN A 114 -5.062 8.591 2.662 1.00 61.30 C ATOM 1801 CG GLN A 114 -6.382 9.093 2.025 1.00 2.45 C ATOM 1802 CD GLN A 114 -7.120 8.075 1.148 1.00 62.22 C ATOM 1803 OE1 GLN A 114 -7.000 6.862 1.315 1.00 14.13 O ATOM 1804 NE2 GLN A 114 -7.923 8.568 0.224 1.00 4.52 N ATOM 0 H GLN A 114 -6.881 6.777 3.394 1.00 45.52 H new ATOM 0 HA GLN A 114 -4.191 7.552 4.317 1.00 65.35 H new ATOM 0 HB2 GLN A 114 -4.401 9.446 2.800 1.00 61.30 H new ATOM 0 HB3 GLN A 114 -4.573 7.921 1.955 1.00 61.30 H new ATOM 0 HG2 GLN A 114 -7.052 9.412 2.823 1.00 2.45 H new ATOM 0 HG3 GLN A 114 -6.162 9.974 1.422 1.00 2.45 H new ATOM 0 HE21 GLN A 114 -8.005 9.578 0.105 1.00 4.52 H new ATOM 0 HE22 GLN A 114 -8.462 7.939 -0.372 1.00 4.52 H new ATOM 1813 N ASN A 115 -4.960 9.725 5.565 1.00 34.40 N ATOM 1814 CA ASN A 115 -5.291 10.592 6.709 1.00 0.32 C ATOM 1815 C ASN A 115 -6.411 11.560 6.323 1.00 3.35 C ATOM 1816 O ASN A 115 -7.393 11.725 7.052 1.00 63.01 O ATOM 1817 CB ASN A 115 -4.026 11.346 7.183 1.00 74.00 C ATOM 1818 CG ASN A 115 -4.236 12.200 8.437 1.00 23.30 C ATOM 1819 OD1 ASN A 115 -5.039 11.871 9.308 1.00 52.34 O ATOM 1820 ND2 ASN A 115 -3.511 13.308 8.540 1.00 51.41 N ATOM 0 H ASN A 115 -4.049 9.924 5.153 1.00 34.40 H new ATOM 0 HA ASN A 115 -5.647 9.982 7.539 1.00 0.32 H new ATOM 0 HB2 ASN A 115 -3.237 10.620 7.379 1.00 74.00 H new ATOM 0 HB3 ASN A 115 -3.675 11.988 6.375 1.00 74.00 H new ATOM 0 HD21 ASN A 115 -3.613 13.910 9.357 1.00 51.41 H new ATOM 0 HD22 ASN A 115 -2.852 13.557 7.802 1.00 51.41 H new ATOM 1827 N GLU A 116 -6.251 12.177 5.154 1.00 35.45 N ATOM 1828 CA GLU A 116 -7.274 13.026 4.546 1.00 21.31 C ATOM 1829 C GLU A 116 -7.748 12.343 3.262 1.00 71.02 C ATOM 1830 O GLU A 116 -6.992 12.298 2.276 1.00 54.13 O ATOM 1831 CB GLU A 116 -6.668 14.419 4.239 1.00 32.21 C ATOM 1832 CG GLU A 116 -6.128 15.149 5.483 1.00 54.34 C ATOM 1833 CD GLU A 116 -5.440 16.478 5.145 1.00 12.34 C ATOM 1834 OE1 GLU A 116 -4.264 16.453 4.724 1.00 52.12 O ATOM 1835 OE2 GLU A 116 -6.068 17.547 5.289 1.00 45.42 O ATOM 0 H GLU A 116 -5.400 12.101 4.597 1.00 35.45 H new ATOM 0 HA GLU A 116 -8.120 13.165 5.219 1.00 21.31 H new ATOM 0 HB2 GLU A 116 -5.859 14.302 3.518 1.00 32.21 H new ATOM 0 HB3 GLU A 116 -7.429 15.040 3.766 1.00 32.21 H new ATOM 0 HG2 GLU A 116 -6.951 15.337 6.173 1.00 54.34 H new ATOM 0 HG3 GLU A 116 -5.420 14.501 6.000 1.00 54.34 H new ATOM 1842 N ALA A 117 -8.975 11.782 3.275 1.00 75.44 N ATOM 1843 CA ALA A 117 -9.511 11.104 2.091 1.00 74.11 C ATOM 1844 C ALA A 117 -10.063 12.154 1.124 1.00 5.15 C ATOM 1845 O ALA A 117 -11.087 12.787 1.396 1.00 41.04 O ATOM 1846 CB ALA A 117 -10.596 10.093 2.508 1.00 42.03 C ATOM 0 H ALA A 117 -9.600 11.787 4.081 1.00 75.44 H new ATOM 0 HA ALA A 117 -8.721 10.548 1.587 1.00 74.11 H new ATOM 0 HB1 ALA A 117 -10.988 9.594 1.622 1.00 42.03 H new ATOM 0 HB2 ALA A 117 -10.164 9.352 3.180 1.00 42.03 H new ATOM 0 HB3 ALA A 117 -11.405 10.617 3.018 1.00 42.03 H new ATOM 1852 N ARG A 118 -9.360 12.338 0.004 1.00 35.51 N ATOM 1853 CA ARG A 118 -9.809 13.184 -1.100 1.00 43.14 C ATOM 1854 C ARG A 118 -10.093 12.236 -2.257 1.00 72.13 C ATOM 1855 O ARG A 118 -9.300 11.314 -2.478 1.00 4.31 O ATOM 1856 CB ARG A 118 -8.701 14.212 -1.426 1.00 52.51 C ATOM 1857 CG ARG A 118 -9.108 15.364 -2.361 1.00 35.34 C ATOM 1858 CD ARG A 118 -7.966 16.379 -2.552 1.00 21.14 C ATOM 1859 NE ARG A 118 -7.497 16.920 -1.263 1.00 53.34 N ATOM 1860 CZ ARG A 118 -6.216 17.130 -0.902 1.00 72.44 C ATOM 1861 NH1 ARG A 118 -5.219 16.845 -1.731 1.00 11.15 N ATOM 1862 NH2 ARG A 118 -5.946 17.595 0.304 1.00 50.53 N ATOM 0 H ARG A 118 -8.454 11.899 -0.162 1.00 35.51 H new ATOM 0 HA ARG A 118 -10.706 13.759 -0.869 1.00 43.14 H new ATOM 0 HB2 ARG A 118 -8.342 14.639 -0.490 1.00 52.51 H new ATOM 0 HB3 ARG A 118 -7.862 13.682 -1.877 1.00 52.51 H new ATOM 0 HG2 ARG A 118 -9.400 14.959 -3.330 1.00 35.34 H new ATOM 0 HG3 ARG A 118 -9.981 15.872 -1.952 1.00 35.34 H new ATOM 0 HD2 ARG A 118 -7.135 15.899 -3.069 1.00 21.14 H new ATOM 0 HD3 ARG A 118 -8.308 17.196 -3.187 1.00 21.14 H new ATOM 0 HE ARG A 118 -8.213 17.159 -0.577 1.00 53.34 H new ATOM 0 HH11 ARG A 118 -5.418 16.462 -2.655 1.00 11.15 H new ATOM 0 HH12 ARG A 118 -4.254 17.009 -1.444 1.00 11.15 H new ATOM 0 HH21 ARG A 118 -6.705 17.793 0.956 1.00 50.53 H new ATOM 0 HH22 ARG A 118 -4.978 17.756 0.584 1.00 50.53 H new ATOM 1876 N THR A 119 -11.227 12.407 -2.949 1.00 22.22 N ATOM 1877 CA THR A 119 -11.670 11.465 -3.996 1.00 61.32 C ATOM 1878 C THR A 119 -10.580 11.272 -5.077 1.00 65.22 C ATOM 1879 O THR A 119 -10.249 10.137 -5.431 1.00 14.01 O ATOM 1880 CB THR A 119 -13.022 11.927 -4.643 1.00 72.04 C ATOM 1881 OG1 THR A 119 -13.984 12.180 -3.606 1.00 11.02 O ATOM 1882 CG2 THR A 119 -13.597 10.877 -5.619 1.00 44.31 C ATOM 0 H THR A 119 -11.861 13.193 -2.804 1.00 22.22 H new ATOM 0 HA THR A 119 -11.840 10.501 -3.516 1.00 61.32 H new ATOM 0 HB THR A 119 -12.818 12.833 -5.213 1.00 72.04 H new ATOM 0 HG1 THR A 119 -14.829 12.471 -4.008 1.00 11.02 H new ATOM 0 HG21 THR A 119 -14.533 11.245 -6.040 1.00 44.31 H new ATOM 0 HG22 THR A 119 -12.883 10.698 -6.423 1.00 44.31 H new ATOM 0 HG23 THR A 119 -13.781 9.945 -5.084 1.00 44.31 H new ATOM 1890 N GLU A 120 -9.987 12.384 -5.531 1.00 54.13 N ATOM 1891 CA GLU A 120 -8.930 12.375 -6.563 1.00 11.24 C ATOM 1892 C GLU A 120 -7.652 11.654 -6.072 1.00 53.31 C ATOM 1893 O GLU A 120 -7.083 10.839 -6.809 1.00 24.13 O ATOM 1894 CB GLU A 120 -8.597 13.821 -7.034 1.00 11.41 C ATOM 1895 CG GLU A 120 -8.118 14.775 -5.925 1.00 25.44 C ATOM 1896 CD GLU A 120 -7.603 16.115 -6.454 1.00 61.55 C ATOM 1897 OE1 GLU A 120 -6.432 16.174 -6.876 1.00 1.05 O ATOM 1898 OE2 GLU A 120 -8.354 17.104 -6.452 1.00 72.02 O ATOM 0 H GLU A 120 -10.223 13.318 -5.196 1.00 54.13 H new ATOM 0 HA GLU A 120 -9.317 11.815 -7.414 1.00 11.24 H new ATOM 0 HB2 GLU A 120 -7.827 13.768 -7.803 1.00 11.41 H new ATOM 0 HB3 GLU A 120 -9.485 14.248 -7.501 1.00 11.41 H new ATOM 0 HG2 GLU A 120 -8.941 14.958 -5.234 1.00 25.44 H new ATOM 0 HG3 GLU A 120 -7.325 14.289 -5.356 1.00 25.44 H new ATOM 1905 N THR A 121 -7.215 11.958 -4.824 1.00 14.13 N ATOM 1906 CA THR A 121 -5.981 11.384 -4.250 1.00 24.35 C ATOM 1907 C THR A 121 -6.116 9.872 -4.118 1.00 44.52 C ATOM 1908 O THR A 121 -5.206 9.136 -4.464 1.00 11.32 O ATOM 1909 CB THR A 121 -5.600 12.024 -2.854 1.00 31.43 C ATOM 1910 OG1 THR A 121 -6.641 11.806 -1.872 1.00 23.14 O ATOM 1911 CG2 THR A 121 -5.327 13.533 -2.980 1.00 12.15 C ATOM 0 H THR A 121 -7.703 12.599 -4.198 1.00 14.13 H new ATOM 0 HA THR A 121 -5.170 11.620 -4.939 1.00 24.35 H new ATOM 0 HB THR A 121 -4.688 11.528 -2.521 1.00 31.43 H new ATOM 0 HG1 THR A 121 -7.501 11.687 -2.327 1.00 23.14 H new ATOM 0 HG21 THR A 121 -5.068 13.939 -2.002 1.00 12.15 H new ATOM 0 HG22 THR A 121 -4.500 13.697 -3.671 1.00 12.15 H new ATOM 0 HG23 THR A 121 -6.219 14.034 -3.356 1.00 12.15 H new ATOM 1919 N LEU A 122 -7.289 9.452 -3.640 1.00 11.43 N ATOM 1920 CA LEU A 122 -7.649 8.048 -3.438 1.00 13.20 C ATOM 1921 C LEU A 122 -7.601 7.252 -4.755 1.00 51.23 C ATOM 1922 O LEU A 122 -6.859 6.278 -4.857 1.00 61.20 O ATOM 1923 CB LEU A 122 -9.065 7.981 -2.798 1.00 44.42 C ATOM 1924 CG LEU A 122 -9.624 6.561 -2.478 1.00 2.42 C ATOM 1925 CD1 LEU A 122 -8.642 5.728 -1.608 1.00 24.13 C ATOM 1926 CD2 LEU A 122 -11.021 6.662 -1.806 1.00 40.03 C ATOM 0 H LEU A 122 -8.034 10.096 -3.376 1.00 11.43 H new ATOM 0 HA LEU A 122 -6.921 7.589 -2.769 1.00 13.20 H new ATOM 0 HB2 LEU A 122 -9.047 8.556 -1.872 1.00 44.42 H new ATOM 0 HB3 LEU A 122 -9.765 8.479 -3.469 1.00 44.42 H new ATOM 0 HG LEU A 122 -9.734 6.032 -3.425 1.00 2.42 H new ATOM 0 HD11 LEU A 122 -9.074 4.747 -1.410 1.00 24.13 H new ATOM 0 HD12 LEU A 122 -7.697 5.609 -2.139 1.00 24.13 H new ATOM 0 HD13 LEU A 122 -8.465 6.243 -0.664 1.00 24.13 H new ATOM 0 HD21 LEU A 122 -11.394 5.661 -1.590 1.00 40.03 H new ATOM 0 HD22 LEU A 122 -10.938 7.226 -0.877 1.00 40.03 H new ATOM 0 HD23 LEU A 122 -11.712 7.170 -2.478 1.00 40.03 H new ATOM 1938 N ASN A 123 -8.346 7.716 -5.773 1.00 73.14 N ATOM 1939 CA ASN A 123 -8.518 6.969 -7.041 1.00 1.25 C ATOM 1940 C ASN A 123 -7.189 6.878 -7.811 1.00 72.21 C ATOM 1941 O ASN A 123 -6.822 5.799 -8.290 1.00 52.33 O ATOM 1942 CB ASN A 123 -9.631 7.588 -7.939 1.00 51.13 C ATOM 1943 CG ASN A 123 -11.054 7.235 -7.489 1.00 54.50 C ATOM 1944 OD1 ASN A 123 -11.560 6.164 -7.810 1.00 44.33 O ATOM 1945 ND2 ASN A 123 -11.731 8.140 -6.801 1.00 71.22 N ATOM 0 H ASN A 123 -8.842 8.607 -5.747 1.00 73.14 H new ATOM 0 HA ASN A 123 -8.836 5.961 -6.776 1.00 1.25 H new ATOM 0 HB2 ASN A 123 -9.520 8.672 -7.945 1.00 51.13 H new ATOM 0 HB3 ASN A 123 -9.489 7.248 -8.965 1.00 51.13 H new ATOM 0 HD21 ASN A 123 -12.695 7.955 -6.526 1.00 71.22 H new ATOM 0 HD22 ASN A 123 -11.288 9.023 -6.546 1.00 71.22 H new ATOM 1952 N SER A 124 -6.476 8.006 -7.907 1.00 74.15 N ATOM 1953 CA SER A 124 -5.176 8.077 -8.608 1.00 21.23 C ATOM 1954 C SER A 124 -4.091 7.252 -7.869 1.00 62.03 C ATOM 1955 O SER A 124 -3.194 6.688 -8.502 1.00 13.15 O ATOM 1956 CB SER A 124 -4.743 9.553 -8.772 1.00 63.11 C ATOM 1957 OG SER A 124 -3.566 9.679 -9.570 1.00 30.41 O ATOM 0 H SER A 124 -6.776 8.894 -7.505 1.00 74.15 H new ATOM 0 HA SER A 124 -5.294 7.638 -9.599 1.00 21.23 H new ATOM 0 HB2 SER A 124 -5.554 10.120 -9.229 1.00 63.11 H new ATOM 0 HB3 SER A 124 -4.563 9.990 -7.790 1.00 63.11 H new ATOM 0 HG SER A 124 -3.326 10.626 -9.651 1.00 30.41 H new ATOM 1963 N PHE A 125 -4.197 7.180 -6.531 1.00 70.31 N ATOM 1964 CA PHE A 125 -3.281 6.368 -5.689 1.00 62.01 C ATOM 1965 C PHE A 125 -3.480 4.870 -5.971 1.00 23.05 C ATOM 1966 O PHE A 125 -2.509 4.128 -6.127 1.00 52.01 O ATOM 1967 CB PHE A 125 -3.507 6.672 -4.184 1.00 72.55 C ATOM 1968 CG PHE A 125 -2.592 5.894 -3.234 1.00 32.32 C ATOM 1969 CD1 PHE A 125 -1.231 6.171 -3.180 1.00 74.13 C ATOM 1970 CD2 PHE A 125 -3.089 4.889 -2.411 1.00 43.44 C ATOM 1971 CE1 PHE A 125 -0.396 5.476 -2.333 1.00 11.22 C ATOM 1972 CE2 PHE A 125 -2.255 4.194 -1.562 1.00 23.21 C ATOM 1973 CZ PHE A 125 -0.905 4.488 -1.521 1.00 43.34 C ATOM 0 H PHE A 125 -4.912 7.676 -5.999 1.00 70.31 H new ATOM 0 HA PHE A 125 -2.255 6.635 -5.942 1.00 62.01 H new ATOM 0 HB2 PHE A 125 -3.361 7.739 -4.016 1.00 72.55 H new ATOM 0 HB3 PHE A 125 -4.544 6.449 -3.933 1.00 72.55 H new ATOM 0 HD1 PHE A 125 -0.821 6.944 -3.813 1.00 74.13 H new ATOM 0 HD2 PHE A 125 -4.142 4.650 -2.438 1.00 43.44 H new ATOM 0 HE1 PHE A 125 0.659 5.707 -2.306 1.00 11.22 H new ATOM 0 HE2 PHE A 125 -2.657 3.418 -0.927 1.00 23.21 H new ATOM 0 HZ PHE A 125 -0.252 3.944 -0.854 1.00 43.34 H new ATOM 1983 N ILE A 126 -4.757 4.457 -6.030 1.00 4.12 N ATOM 1984 CA ILE A 126 -5.157 3.080 -6.381 1.00 3.42 C ATOM 1985 C ILE A 126 -4.643 2.726 -7.788 1.00 64.22 C ATOM 1986 O ILE A 126 -4.210 1.604 -8.018 1.00 15.31 O ATOM 1987 CB ILE A 126 -6.724 2.904 -6.302 1.00 64.01 C ATOM 1988 CG1 ILE A 126 -7.244 3.189 -4.853 1.00 54.32 C ATOM 1989 CG2 ILE A 126 -7.172 1.489 -6.771 1.00 74.10 C ATOM 1990 CD1 ILE A 126 -8.753 3.303 -4.742 1.00 61.43 C ATOM 0 H ILE A 126 -5.547 5.072 -5.835 1.00 4.12 H new ATOM 0 HA ILE A 126 -4.710 2.398 -5.658 1.00 3.42 H new ATOM 0 HB ILE A 126 -7.165 3.633 -6.982 1.00 64.01 H new ATOM 0 HG12 ILE A 126 -6.902 2.391 -4.194 1.00 54.32 H new ATOM 0 HG13 ILE A 126 -6.794 4.114 -4.494 1.00 54.32 H new ATOM 0 HG21 ILE A 126 -8.257 1.409 -6.701 1.00 74.10 H new ATOM 0 HG22 ILE A 126 -6.862 1.333 -7.804 1.00 74.10 H new ATOM 0 HG23 ILE A 126 -6.711 0.732 -6.136 1.00 74.10 H new ATOM 0 HD11 ILE A 126 -9.028 3.501 -3.706 1.00 61.43 H new ATOM 0 HD12 ILE A 126 -9.104 4.120 -5.373 1.00 61.43 H new ATOM 0 HD13 ILE A 126 -9.213 2.370 -5.068 1.00 61.43 H new ATOM 2002 N SER A 127 -4.665 3.717 -8.700 1.00 43.31 N ATOM 2003 CA SER A 127 -4.142 3.555 -10.068 1.00 40.11 C ATOM 2004 C SER A 127 -2.641 3.210 -10.041 1.00 34.42 C ATOM 2005 O SER A 127 -2.195 2.327 -10.774 1.00 52.01 O ATOM 2006 CB SER A 127 -4.366 4.842 -10.891 1.00 45.13 C ATOM 2007 OG SER A 127 -5.711 5.280 -10.819 1.00 72.35 O ATOM 0 H SER A 127 -5.043 4.645 -8.510 1.00 43.31 H new ATOM 0 HA SER A 127 -4.683 2.734 -10.539 1.00 40.11 H new ATOM 0 HB2 SER A 127 -3.707 5.629 -10.524 1.00 45.13 H new ATOM 0 HB3 SER A 127 -4.097 4.660 -11.932 1.00 45.13 H new ATOM 0 HG SER A 127 -5.912 5.570 -9.905 1.00 72.35 H new ATOM 2013 N VAL A 128 -1.878 3.932 -9.183 1.00 50.41 N ATOM 2014 CA VAL A 128 -0.426 3.701 -9.007 1.00 73.41 C ATOM 2015 C VAL A 128 -0.187 2.270 -8.496 1.00 42.12 C ATOM 2016 O VAL A 128 0.633 1.548 -9.057 1.00 31.24 O ATOM 2017 CB VAL A 128 0.234 4.755 -8.029 1.00 73.23 C ATOM 2018 CG1 VAL A 128 1.743 4.472 -7.795 1.00 72.24 C ATOM 2019 CG2 VAL A 128 0.019 6.197 -8.549 1.00 50.54 C ATOM 0 H VAL A 128 -2.249 4.683 -8.600 1.00 50.41 H new ATOM 0 HA VAL A 128 0.051 3.827 -9.979 1.00 73.41 H new ATOM 0 HB VAL A 128 -0.265 4.655 -7.065 1.00 73.23 H new ATOM 0 HG11 VAL A 128 2.153 5.221 -7.117 1.00 72.24 H new ATOM 0 HG12 VAL A 128 1.864 3.481 -7.357 1.00 72.24 H new ATOM 0 HG13 VAL A 128 2.273 4.515 -8.746 1.00 72.24 H new ATOM 0 HG21 VAL A 128 0.481 6.905 -7.861 1.00 50.54 H new ATOM 0 HG22 VAL A 128 0.473 6.300 -9.534 1.00 50.54 H new ATOM 0 HG23 VAL A 128 -1.049 6.403 -8.618 1.00 50.54 H new ATOM 2029 N LEU A 129 -0.927 1.882 -7.437 1.00 60.12 N ATOM 2030 CA LEU A 129 -0.903 0.505 -6.880 1.00 22.31 C ATOM 2031 C LEU A 129 -1.127 -0.553 -7.983 1.00 32.32 C ATOM 2032 O LEU A 129 -0.364 -1.489 -8.090 1.00 10.53 O ATOM 2033 CB LEU A 129 -1.980 0.343 -5.761 1.00 11.11 C ATOM 2034 CG LEU A 129 -1.867 1.303 -4.526 1.00 71.55 C ATOM 2035 CD1 LEU A 129 -3.016 1.047 -3.516 1.00 1.51 C ATOM 2036 CD2 LEU A 129 -0.474 1.207 -3.838 1.00 15.20 C ATOM 0 H LEU A 129 -1.559 2.511 -6.941 1.00 60.12 H new ATOM 0 HA LEU A 129 0.085 0.345 -6.448 1.00 22.31 H new ATOM 0 HB2 LEU A 129 -2.962 0.484 -6.212 1.00 11.11 H new ATOM 0 HB3 LEU A 129 -1.941 -0.684 -5.398 1.00 11.11 H new ATOM 0 HG LEU A 129 -1.967 2.323 -4.898 1.00 71.55 H new ATOM 0 HD11 LEU A 129 -2.914 1.726 -2.669 1.00 1.51 H new ATOM 0 HD12 LEU A 129 -3.975 1.218 -4.005 1.00 1.51 H new ATOM 0 HD13 LEU A 129 -2.967 0.017 -3.163 1.00 1.51 H new ATOM 0 HD21 LEU A 129 -0.440 1.889 -2.988 1.00 15.20 H new ATOM 0 HD22 LEU A 129 -0.309 0.187 -3.492 1.00 15.20 H new ATOM 0 HD23 LEU A 129 0.304 1.478 -4.552 1.00 15.20 H new ATOM 2048 N GLU A 130 -2.163 -0.343 -8.809 1.00 44.11 N ATOM 2049 CA GLU A 130 -2.544 -1.264 -9.915 1.00 50.12 C ATOM 2050 C GLU A 130 -1.471 -1.330 -11.028 1.00 73.45 C ATOM 2051 O GLU A 130 -1.333 -2.354 -11.699 1.00 55.04 O ATOM 2052 CB GLU A 130 -3.915 -0.844 -10.512 1.00 24.44 C ATOM 2053 CG GLU A 130 -5.099 -1.026 -9.546 1.00 34.32 C ATOM 2054 CD GLU A 130 -6.423 -0.486 -10.119 1.00 50.41 C ATOM 2055 OE1 GLU A 130 -6.613 0.749 -10.140 1.00 4.43 O ATOM 2056 OE2 GLU A 130 -7.256 -1.284 -10.587 1.00 62.01 O ATOM 0 H GLU A 130 -2.770 0.473 -8.736 1.00 44.11 H new ATOM 0 HA GLU A 130 -2.623 -2.264 -9.489 1.00 50.12 H new ATOM 0 HB2 GLU A 130 -3.863 0.202 -10.814 1.00 24.44 H new ATOM 0 HB3 GLU A 130 -4.102 -1.428 -11.414 1.00 24.44 H new ATOM 0 HG2 GLU A 130 -5.214 -2.085 -9.314 1.00 34.32 H new ATOM 0 HG3 GLU A 130 -4.879 -0.516 -8.608 1.00 34.32 H new ATOM 2063 N THR A 131 -0.738 -0.224 -11.225 1.00 51.45 N ATOM 2064 CA THR A 131 0.379 -0.158 -12.188 1.00 42.14 C ATOM 2065 C THR A 131 1.550 -1.046 -11.701 1.00 70.30 C ATOM 2066 O THR A 131 2.094 -1.866 -12.459 1.00 23.32 O ATOM 2067 CB THR A 131 0.840 1.329 -12.381 1.00 10.51 C ATOM 2068 OG1 THR A 131 -0.275 2.135 -12.795 1.00 13.11 O ATOM 2069 CG2 THR A 131 1.969 1.478 -13.414 1.00 40.32 C ATOM 0 H THR A 131 -0.900 0.650 -10.724 1.00 51.45 H new ATOM 0 HA THR A 131 0.043 -0.535 -13.154 1.00 42.14 H new ATOM 0 HB THR A 131 1.226 1.663 -11.418 1.00 10.51 H new ATOM 0 HG1 THR A 131 -0.931 2.183 -12.069 1.00 13.11 H new ATOM 0 HG21 THR A 131 2.244 2.529 -13.503 1.00 40.32 H new ATOM 0 HG22 THR A 131 2.836 0.902 -13.091 1.00 40.32 H new ATOM 0 HG23 THR A 131 1.628 1.109 -14.381 1.00 40.32 H new ATOM 2077 N VAL A 132 1.890 -0.896 -10.414 1.00 54.23 N ATOM 2078 CA VAL A 132 3.003 -1.631 -9.781 1.00 54.25 C ATOM 2079 C VAL A 132 2.673 -3.127 -9.687 1.00 45.25 C ATOM 2080 O VAL A 132 3.407 -3.961 -10.198 1.00 53.34 O ATOM 2081 CB VAL A 132 3.305 -1.081 -8.342 1.00 64.41 C ATOM 2082 CG1 VAL A 132 4.516 -1.793 -7.696 1.00 52.30 C ATOM 2083 CG2 VAL A 132 3.503 0.439 -8.372 1.00 14.50 C ATOM 0 H VAL A 132 1.404 -0.263 -9.779 1.00 54.23 H new ATOM 0 HA VAL A 132 3.885 -1.487 -10.405 1.00 54.25 H new ATOM 0 HB VAL A 132 2.438 -1.298 -7.718 1.00 64.41 H new ATOM 0 HG11 VAL A 132 4.691 -1.383 -6.701 1.00 52.30 H new ATOM 0 HG12 VAL A 132 4.311 -2.861 -7.617 1.00 52.30 H new ATOM 0 HG13 VAL A 132 5.401 -1.638 -8.313 1.00 52.30 H new ATOM 0 HG21 VAL A 132 3.711 0.799 -7.364 1.00 14.50 H new ATOM 0 HG22 VAL A 132 4.341 0.684 -9.025 1.00 14.50 H new ATOM 0 HG23 VAL A 132 2.598 0.916 -8.748 1.00 14.50 H new ATOM 2093 N ILE A 133 1.522 -3.422 -9.074 1.00 15.41 N ATOM 2094 CA ILE A 133 1.030 -4.788 -8.834 1.00 31.12 C ATOM 2095 C ILE A 133 0.836 -5.508 -10.172 1.00 23.44 C ATOM 2096 O ILE A 133 1.282 -6.643 -10.337 1.00 0.10 O ATOM 2097 CB ILE A 133 -0.330 -4.739 -8.016 1.00 14.33 C ATOM 2098 CG1 ILE A 133 -0.069 -4.267 -6.534 1.00 3.23 C ATOM 2099 CG2 ILE A 133 -1.113 -6.080 -8.066 1.00 62.13 C ATOM 2100 CD1 ILE A 133 -1.305 -4.203 -5.647 1.00 1.55 C ATOM 0 H ILE A 133 0.890 -2.703 -8.722 1.00 15.41 H new ATOM 0 HA ILE A 133 1.763 -5.340 -8.245 1.00 31.12 H new ATOM 0 HB ILE A 133 -0.971 -4.003 -8.501 1.00 14.33 H new ATOM 0 HG12 ILE A 133 0.653 -4.943 -6.076 1.00 3.23 H new ATOM 0 HG13 ILE A 133 0.392 -3.279 -6.560 1.00 3.23 H new ATOM 0 HG21 ILE A 133 -2.033 -5.986 -7.489 1.00 62.13 H new ATOM 0 HG22 ILE A 133 -1.356 -6.321 -9.101 1.00 62.13 H new ATOM 0 HG23 ILE A 133 -0.500 -6.876 -7.643 1.00 62.13 H new ATOM 0 HD11 ILE A 133 -1.020 -3.868 -4.650 1.00 1.55 H new ATOM 0 HD12 ILE A 133 -2.023 -3.503 -6.074 1.00 1.55 H new ATOM 0 HD13 ILE A 133 -1.758 -5.192 -5.582 1.00 1.55 H new ATOM 2112 N GLY A 134 0.213 -4.788 -11.124 1.00 71.25 N ATOM 2113 CA GLY A 134 -0.060 -5.300 -12.464 1.00 4.44 C ATOM 2114 C GLY A 134 1.194 -5.803 -13.166 1.00 1.34 C ATOM 2115 O GLY A 134 1.232 -6.954 -13.627 1.00 55.12 O ATOM 0 H GLY A 134 -0.113 -3.833 -10.977 1.00 71.25 H new ATOM 0 HA2 GLY A 134 -0.785 -6.111 -12.398 1.00 4.44 H new ATOM 0 HA3 GLY A 134 -0.516 -4.513 -13.064 1.00 4.44 H new ATOM 2119 N THR A 135 2.255 -4.967 -13.190 1.00 62.44 N ATOM 2120 CA THR A 135 3.520 -5.310 -13.884 1.00 70.15 C ATOM 2121 C THR A 135 4.281 -6.469 -13.173 1.00 75.12 C ATOM 2122 O THR A 135 5.165 -7.091 -13.775 1.00 40.42 O ATOM 2123 CB THR A 135 4.437 -4.046 -14.076 1.00 14.31 C ATOM 2124 OG1 THR A 135 5.432 -4.304 -15.080 1.00 60.11 O ATOM 2125 CG2 THR A 135 5.148 -3.605 -12.786 1.00 54.41 C ATOM 0 H THR A 135 2.263 -4.052 -12.739 1.00 62.44 H new ATOM 0 HA THR A 135 3.250 -5.670 -14.877 1.00 70.15 H new ATOM 0 HB THR A 135 3.773 -3.237 -14.381 1.00 14.31 H new ATOM 0 HG1 THR A 135 5.727 -5.236 -15.016 1.00 60.11 H new ATOM 0 HG21 THR A 135 5.763 -2.729 -12.991 1.00 54.41 H new ATOM 0 HG22 THR A 135 4.405 -3.358 -12.028 1.00 54.41 H new ATOM 0 HG23 THR A 135 5.780 -4.416 -12.424 1.00 54.41 H new ATOM 2133 N ILE A 136 3.913 -6.772 -11.897 1.00 74.15 N ATOM 2134 CA ILE A 136 4.466 -7.941 -11.163 1.00 55.51 C ATOM 2135 C ILE A 136 3.744 -9.227 -11.611 1.00 44.34 C ATOM 2136 O ILE A 136 4.378 -10.274 -11.820 1.00 74.20 O ATOM 2137 CB ILE A 136 4.331 -7.799 -9.593 1.00 64.23 C ATOM 2138 CG1 ILE A 136 4.878 -6.425 -9.099 1.00 13.02 C ATOM 2139 CG2 ILE A 136 5.022 -8.966 -8.841 1.00 45.34 C ATOM 2140 CD1 ILE A 136 6.275 -6.060 -9.566 1.00 71.40 C ATOM 0 H ILE A 136 3.240 -6.225 -11.360 1.00 74.15 H new ATOM 0 HA ILE A 136 5.528 -7.989 -11.402 1.00 55.51 H new ATOM 0 HB ILE A 136 3.267 -7.846 -9.363 1.00 64.23 H new ATOM 0 HG12 ILE A 136 4.191 -5.644 -9.426 1.00 13.02 H new ATOM 0 HG13 ILE A 136 4.868 -6.423 -8.009 1.00 13.02 H new ATOM 0 HG21 ILE A 136 4.904 -8.827 -7.766 1.00 45.34 H new ATOM 0 HG22 ILE A 136 4.565 -9.911 -9.137 1.00 45.34 H new ATOM 0 HG23 ILE A 136 6.083 -8.982 -9.090 1.00 45.34 H new ATOM 0 HD11 ILE A 136 6.551 -5.086 -9.162 1.00 71.40 H new ATOM 0 HD12 ILE A 136 6.983 -6.811 -9.217 1.00 71.40 H new ATOM 0 HD13 ILE A 136 6.296 -6.020 -10.655 1.00 71.40 H new