USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1292 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: B 44 THR OG1 : rot -24:sc= 1.77 USER MOD Set 1.2: D 53 THR OG1 : rot 61:sc= -1.48 USER MOD Set 2.1: A 3 TYR OH : rot -74:sc= -2.73! USER MOD Set 2.2: D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 2 GLN : amide:sc= -0.939 K(o=-1.6,f=-5.5!) USER MOD Set 3.2: D 49 THR OG1 : rot -136:sc= -0.681 USER MOD Set 4.1: B 3 TYR OH : rot -74:sc= -2.55! USER MOD Set 4.2: C 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: B 53 THR OG1 : rot 60:sc= -1.48 USER MOD Set 5.2: D 44 THR OG1 : rot -22:sc= 1.7 USER MOD Set 6.1: B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: C 3 TYR OH : rot -76:sc= -3.2! USER MOD Set 7.1: B 49 THR OG1 : rot -136:sc= -0.415 USER MOD Set 7.2: C 2 GLN : amide:sc= -1.07 K(o=-1.5,f=-5.5!) USER MOD Set 8.1: B 2 GLN : amide:sc= -1.06 K(o=-1.5,f=-5.6!) USER MOD Set 8.2: C 49 THR OG1 : rot -136:sc= -0.438 USER MOD Set 9.1: A 53 THR OG1 : rot 56:sc= -1.21 USER MOD Set 9.2: C 44 THR OG1 : rot -21:sc= 1.49 USER MOD Set10.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set10.2: D 3 TYR OH : rot -75:sc= -2.57! USER MOD Set11.1: A 49 THR OG1 : rot -135:sc= -0.566 USER MOD Set11.2: D 2 GLN : amide:sc= -0.982 K(o=-1.5,f=-5.8!) USER MOD Set12.1: A 44 THR OG1 : rot -28:sc= 1.71 USER MOD Set12.2: C 53 THR OG1 : rot 58:sc= -1.1 USER MOD Single : A 1 MET CE :methyl -150:sc= -1.59 (180deg=-5.28) USER MOD Single : A 1 MET N :NH3+ -165:sc= 1.26 (180deg=1.1) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0239) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.8!) USER MOD Single : A 35 ASN : amide:sc= -5.88 X(o=-5.9,f=-5.7!) USER MOD Single : A 37 ASN : amide:sc= -5.27! C(o=-5.3!,f=-9.6!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 171:sc= -2.2 USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.488 USER MOD Single : B 1 MET CE :methyl -149:sc= -1.43 (180deg=-5.11) USER MOD Single : B 1 MET N :NH3+ 171:sc= 1.24 (180deg=1.08) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0302) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.8!) USER MOD Single : B 35 ASN : amide:sc= -5.71 X(o=-5.7,f=-5.6!) USER MOD Single : B 37 ASN : amide:sc= -5.08! C(o=-5.1!,f=-9.5!) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 THR OG1 : rot 171:sc= -2.21 USER MOD Single : B 55 THR OG1 : rot -160:sc= -0.599 USER MOD Single : C 1 MET CE :methyl -151:sc= -1.56 (180deg=-5.29) USER MOD Single : C 1 MET N :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 25 THR OG1 : rot 180:sc= 0 USER MOD Single : C 28 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0291) USER MOD Single : C 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 32 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.7!) USER MOD Single : C 35 ASN : amide:sc= -5.89 X(o=-5.9,f=-5.7!) USER MOD Single : C 37 ASN : amide:sc= -5.12! C(o=-5.1!,f=-9.5!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 51 THR OG1 : rot 171:sc= -2.12 USER MOD Single : C 55 THR OG1 : rot -168:sc= -0.602 USER MOD Single : D 1 MET CE :methyl -149:sc= -1.6 (180deg=-5.3!) USER MOD Single : D 1 MET N :NH3+ 173:sc= 1.21 (180deg=1.07) USER MOD Single : D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 25 THR OG1 : rot 180:sc= 0 USER MOD Single : D 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0418) USER MOD Single : D 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 32 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.7!) USER MOD Single : D 35 ASN : amide:sc= -5.87 X(o=-5.9,f=-5.7!) USER MOD Single : D 37 ASN : amide:sc= -4.83! C(o=-4.8!,f=-9.4!) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 51 THR OG1 : rot 171:sc= -2.18 USER MOD Single : D 55 THR OG1 : rot -168:sc= -0.715 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.520 20.599 -0.273 1.00 0.00 N ATOM 2 CA MET A 1 9.760 19.717 0.651 1.00 0.00 C ATOM 3 C MET A 1 8.290 19.631 0.247 1.00 0.00 C ATOM 4 O MET A 1 7.700 20.610 -0.209 1.00 0.00 O ATOM 5 CB MET A 1 9.892 20.271 2.072 1.00 0.00 C ATOM 6 CG MET A 1 10.972 19.584 2.894 1.00 0.00 C ATOM 7 SD MET A 1 10.630 17.835 3.165 1.00 0.00 S ATOM 8 CE MET A 1 8.925 17.902 3.707 1.00 0.00 C ATOM 0 H1 MET A 1 11.540 20.445 -0.140 1.00 0.00 H new ATOM 0 H2 MET A 1 10.262 20.377 -1.256 1.00 0.00 H new ATOM 0 H3 MET A 1 10.291 21.593 -0.071 1.00 0.00 H new ATOM 0 HA MET A 1 10.170 18.708 0.604 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.111 21.338 2.019 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.935 20.167 2.584 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.931 19.688 2.387 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.065 20.086 3.857 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.727 17.075 4.389 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.743 18.846 4.220 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.265 17.826 2.843 1.00 0.00 H new ATOM 20 N GLN A 2 7.705 18.454 0.437 1.00 0.00 N ATOM 21 CA GLN A 2 6.298 18.236 0.107 1.00 0.00 C ATOM 22 C GLN A 2 5.425 18.420 1.344 1.00 0.00 C ATOM 23 O GLN A 2 5.681 17.824 2.389 1.00 0.00 O ATOM 24 CB GLN A 2 6.088 16.844 -0.496 1.00 0.00 C ATOM 25 CG GLN A 2 6.523 15.706 0.410 1.00 0.00 C ATOM 26 CD GLN A 2 6.434 14.356 -0.274 1.00 0.00 C ATOM 27 OE1 GLN A 2 5.432 13.651 -0.154 1.00 0.00 O ATOM 28 NE2 GLN A 2 7.485 13.988 -0.999 1.00 0.00 N ATOM 0 H GLN A 2 8.181 17.636 0.817 1.00 0.00 H new ATOM 0 HA GLN A 2 6.005 18.976 -0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.032 16.719 -0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.639 16.779 -1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.548 15.877 0.737 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.900 15.699 1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.295 14.603 -1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.482 13.090 -1.483 1.00 0.00 H new ATOM 37 N TYR A 3 4.402 19.264 1.224 1.00 0.00 N ATOM 38 CA TYR A 3 3.506 19.539 2.344 1.00 0.00 C ATOM 39 C TYR A 3 2.131 18.907 2.155 1.00 0.00 C ATOM 40 O TYR A 3 1.501 19.047 1.104 1.00 0.00 O ATOM 41 CB TYR A 3 3.361 21.046 2.548 1.00 0.00 C ATOM 42 CG TYR A 3 4.510 21.661 3.314 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.619 21.490 4.687 1.00 0.00 C ATOM 44 CD2 TYR A 3 5.485 22.409 2.665 1.00 0.00 C ATOM 45 CE1 TYR A 3 5.667 22.047 5.395 1.00 0.00 C ATOM 46 CE2 TYR A 3 6.536 22.970 3.366 1.00 0.00 C ATOM 47 CZ TYR A 3 6.622 22.785 4.730 1.00 0.00 C ATOM 48 OH TYR A 3 7.668 23.340 5.431 1.00 0.00 O ATOM 0 H TYR A 3 4.174 19.767 0.366 1.00 0.00 H new ATOM 0 HA TYR A 3 3.954 19.090 3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.282 21.531 1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.431 21.245 3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.872 20.912 5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.421 22.554 1.597 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.737 21.905 6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.286 23.550 2.848 1.00 0.00 H new ATOM 0 HH TYR A 3 7.346 24.112 5.942 1.00 0.00 H new ATOM 58 N LYS A 4 1.679 18.214 3.196 1.00 0.00 N ATOM 59 CA LYS A 4 0.379 17.552 3.184 1.00 0.00 C ATOM 60 C LYS A 4 -0.618 18.295 4.072 1.00 0.00 C ATOM 61 O LYS A 4 -0.369 18.508 5.258 1.00 0.00 O ATOM 62 CB LYS A 4 0.517 16.103 3.656 1.00 0.00 C ATOM 63 CG LYS A 4 -0.702 15.245 3.356 1.00 0.00 C ATOM 64 CD LYS A 4 -0.360 13.764 3.385 1.00 0.00 C ATOM 65 CE LYS A 4 -1.591 12.904 3.151 1.00 0.00 C ATOM 66 NZ LYS A 4 -1.248 11.456 3.074 1.00 0.00 N ATOM 0 H LYS A 4 2.199 18.096 4.065 1.00 0.00 H new ATOM 0 HA LYS A 4 0.004 17.560 2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.391 15.657 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.700 16.096 4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.484 15.454 4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.102 15.508 2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.387 13.547 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.085 13.511 4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.306 13.066 3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.079 13.212 2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.114 10.902 2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.585 11.298 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.805 11.156 3.966 1.00 0.00 H new ATOM 80 N VAL A 5 -1.748 18.682 3.490 1.00 0.00 N ATOM 81 CA VAL A 5 -2.784 19.398 4.232 1.00 0.00 C ATOM 82 C VAL A 5 -4.178 18.958 3.801 1.00 0.00 C ATOM 83 O VAL A 5 -4.512 18.993 2.618 1.00 0.00 O ATOM 84 CB VAL A 5 -2.658 20.923 4.046 1.00 0.00 C ATOM 85 CG1 VAL A 5 -3.620 21.656 4.970 1.00 0.00 C ATOM 86 CG2 VAL A 5 -1.227 21.373 4.291 1.00 0.00 C ATOM 0 H VAL A 5 -1.971 18.513 2.509 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.641 19.154 5.285 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.922 21.168 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.516 22.731 4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.643 21.356 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.391 21.407 6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.157 22.452 4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.934 21.115 5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.563 20.875 3.585 1.00 0.00 H new ATOM 96 N ILE A 6 -4.988 18.537 4.770 1.00 0.00 N ATOM 97 CA ILE A 6 -6.345 18.086 4.488 1.00 0.00 C ATOM 98 C ILE A 6 -7.363 19.206 4.698 1.00 0.00 C ATOM 99 O ILE A 6 -7.537 19.697 5.813 1.00 0.00 O ATOM 100 CB ILE A 6 -6.729 16.887 5.378 1.00 0.00 C ATOM 101 CG1 ILE A 6 -5.637 15.814 5.327 1.00 0.00 C ATOM 102 CG2 ILE A 6 -8.067 16.308 4.945 1.00 0.00 C ATOM 103 CD1 ILE A 6 -5.828 14.707 6.341 1.00 0.00 C ATOM 0 H ILE A 6 -4.727 18.500 5.755 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.363 17.781 3.442 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.823 17.236 6.406 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.612 15.380 4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.668 16.285 5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.322 15.463 5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.839 17.073 5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.001 15.973 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.018 13.984 6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.823 15.129 7.346 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.781 14.210 6.162 1.00 0.00 H new ATOM 115 N LEU A 7 -8.043 19.591 3.623 1.00 0.00 N ATOM 116 CA LEU A 7 -9.059 20.638 3.694 1.00 0.00 C ATOM 117 C LEU A 7 -10.453 20.014 3.675 1.00 0.00 C ATOM 118 O LEU A 7 -10.781 19.241 2.775 1.00 0.00 O ATOM 119 CB LEU A 7 -8.898 21.630 2.533 1.00 0.00 C ATOM 120 CG LEU A 7 -8.188 22.940 2.893 1.00 0.00 C ATOM 121 CD1 LEU A 7 -6.730 22.895 2.461 1.00 0.00 C ATOM 122 CD2 LEU A 7 -8.893 24.133 2.258 1.00 0.00 C ATOM 0 H LEU A 7 -7.910 19.195 2.693 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.931 21.186 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.343 21.142 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.886 21.867 2.138 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.226 23.058 3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.243 23.834 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.226 22.070 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.674 22.748 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.370 25.051 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.893 24.021 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.921 24.182 2.617 1.00 0.00 H new ATOM 337 N ASP A 22 -12.281 25.452 2.571 1.00 0.00 N ATOM 338 CA ASP A 22 -12.827 24.859 1.356 1.00 0.00 C ATOM 339 C ASP A 22 -11.728 24.540 0.356 1.00 0.00 C ATOM 340 O ASP A 22 -10.715 25.236 0.274 1.00 0.00 O ATOM 341 CB ASP A 22 -13.855 25.797 0.720 1.00 0.00 C ATOM 342 CG ASP A 22 -15.265 25.521 1.205 1.00 0.00 C ATOM 343 OD1 ASP A 22 -15.412 24.934 2.297 1.00 0.00 O ATOM 344 OD2 ASP A 22 -16.221 25.889 0.491 1.00 0.00 O ATOM 0 HA ASP A 22 -13.318 23.926 1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.591 26.830 0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.819 25.690 -0.364 1.00 0.00 H new ATOM 349 N ALA A 23 -11.943 23.480 -0.406 1.00 0.00 N ATOM 350 CA ALA A 23 -10.991 23.046 -1.413 1.00 0.00 C ATOM 351 C ALA A 23 -10.617 24.194 -2.349 1.00 0.00 C ATOM 352 O ALA A 23 -9.447 24.381 -2.680 1.00 0.00 O ATOM 353 CB ALA A 23 -11.588 21.883 -2.185 1.00 0.00 C ATOM 0 H ALA A 23 -12.779 22.899 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.072 22.721 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.881 21.549 -2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.800 21.062 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.513 22.202 -2.666 1.00 0.00 H new ATOM 359 N ALA A 24 -11.619 24.967 -2.762 1.00 0.00 N ATOM 360 CA ALA A 24 -11.398 26.106 -3.646 1.00 0.00 C ATOM 361 C ALA A 24 -10.612 27.205 -2.936 1.00 0.00 C ATOM 362 O ALA A 24 -9.820 27.916 -3.554 1.00 0.00 O ATOM 363 CB ALA A 24 -12.728 26.646 -4.151 1.00 0.00 C ATOM 0 H ALA A 24 -12.594 24.824 -2.497 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.809 25.767 -4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.549 27.496 -4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.253 25.865 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.336 26.965 -3.305 1.00 0.00 H new ATOM 369 N THR A 25 -10.839 27.335 -1.631 1.00 0.00 N ATOM 370 CA THR A 25 -10.155 28.343 -0.826 1.00 0.00 C ATOM 371 C THR A 25 -8.652 28.084 -0.823 1.00 0.00 C ATOM 372 O THR A 25 -7.849 29.014 -0.893 1.00 0.00 O ATOM 373 CB THR A 25 -10.710 28.331 0.605 1.00 0.00 C ATOM 374 OG1 THR A 25 -12.021 28.868 0.634 1.00 0.00 O ATOM 375 CG2 THR A 25 -9.877 29.116 1.600 1.00 0.00 C ATOM 0 H THR A 25 -11.493 26.753 -1.108 1.00 0.00 H new ATOM 0 HA THR A 25 -10.331 29.327 -1.260 1.00 0.00 H new ATOM 0 HB THR A 25 -10.693 27.282 0.902 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.361 28.852 1.553 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.337 29.057 2.586 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.872 28.697 1.643 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.823 30.159 1.287 1.00 0.00 H new ATOM 383 N PHE A 26 -8.284 26.811 -0.759 1.00 0.00 N ATOM 384 CA PHE A 26 -6.880 26.420 -0.767 1.00 0.00 C ATOM 385 C PHE A 26 -6.218 26.799 -2.089 1.00 0.00 C ATOM 386 O PHE A 26 -5.161 27.430 -2.110 1.00 0.00 O ATOM 387 CB PHE A 26 -6.743 24.916 -0.527 1.00 0.00 C ATOM 388 CG PHE A 26 -5.319 24.464 -0.371 1.00 0.00 C ATOM 389 CD1 PHE A 26 -4.636 24.681 0.816 1.00 0.00 C ATOM 390 CD2 PHE A 26 -4.662 23.826 -1.410 1.00 0.00 C ATOM 391 CE1 PHE A 26 -3.326 24.269 0.962 1.00 0.00 C ATOM 392 CE2 PHE A 26 -3.351 23.411 -1.270 1.00 0.00 C ATOM 393 CZ PHE A 26 -2.683 23.634 -0.081 1.00 0.00 C ATOM 0 H PHE A 26 -8.939 26.031 -0.701 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.376 26.954 0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.302 24.646 0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.197 24.380 -1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.134 25.178 1.636 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.180 23.651 -2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.805 24.444 1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.850 22.914 -2.088 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.658 23.312 0.032 1.00 0.00 H new ATOM 403 N GLU A 27 -6.844 26.397 -3.191 1.00 0.00 N ATOM 404 CA GLU A 27 -6.320 26.678 -4.524 1.00 0.00 C ATOM 405 C GLU A 27 -6.093 28.173 -4.742 1.00 0.00 C ATOM 406 O GLU A 27 -5.033 28.585 -5.214 1.00 0.00 O ATOM 407 CB GLU A 27 -7.277 26.142 -5.591 1.00 0.00 C ATOM 408 CG GLU A 27 -7.423 24.629 -5.573 1.00 0.00 C ATOM 409 CD GLU A 27 -8.564 24.144 -6.446 1.00 0.00 C ATOM 410 OE1 GLU A 27 -9.663 24.732 -6.369 1.00 0.00 O ATOM 411 OE2 GLU A 27 -8.359 23.174 -7.207 1.00 0.00 O ATOM 0 H GLU A 27 -7.719 25.873 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.356 26.176 -4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.258 26.595 -5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.923 26.453 -6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.492 24.174 -5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.587 24.295 -4.548 1.00 0.00 H new ATOM 418 N LYS A 28 -7.101 28.977 -4.423 1.00 0.00 N ATOM 419 CA LYS A 28 -7.018 30.422 -4.615 1.00 0.00 C ATOM 420 C LYS A 28 -6.000 31.077 -3.681 1.00 0.00 C ATOM 421 O LYS A 28 -5.168 31.867 -4.124 1.00 0.00 O ATOM 422 CB LYS A 28 -8.393 31.059 -4.408 1.00 0.00 C ATOM 423 CG LYS A 28 -8.454 32.523 -4.818 1.00 0.00 C ATOM 424 CD LYS A 28 -9.840 33.106 -4.601 1.00 0.00 C ATOM 425 CE LYS A 28 -10.708 32.957 -5.841 1.00 0.00 C ATOM 426 NZ LYS A 28 -10.341 33.941 -6.897 1.00 0.00 N ATOM 0 H LYS A 28 -7.985 28.654 -4.030 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.680 30.591 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.133 30.499 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.670 30.973 -3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.724 33.093 -4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.178 32.619 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.318 32.606 -3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.755 34.161 -4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.607 31.946 -6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.755 33.090 -5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.056 33.923 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.298 34.894 -6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.412 33.693 -7.295 1.00 0.00 H new ATOM 440 N VAL A 29 -6.066 30.758 -2.391 1.00 0.00 N ATOM 441 CA VAL A 29 -5.143 31.332 -1.412 1.00 0.00 C ATOM 442 C VAL A 29 -3.699 30.912 -1.669 1.00 0.00 C ATOM 443 O VAL A 29 -2.781 31.727 -1.582 1.00 0.00 O ATOM 444 CB VAL A 29 -5.526 30.931 0.027 1.00 0.00 C ATOM 445 CG1 VAL A 29 -4.560 31.542 1.035 1.00 0.00 C ATOM 446 CG2 VAL A 29 -6.958 31.344 0.332 1.00 0.00 C ATOM 0 H VAL A 29 -6.746 30.107 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.221 32.413 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.457 29.846 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.850 31.245 2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.549 31.190 0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.589 32.629 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.211 31.053 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.055 32.425 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.635 30.850 -0.365 1.00 0.00 H new ATOM 456 N VAL A 30 -3.504 29.634 -1.969 1.00 0.00 N ATOM 457 CA VAL A 30 -2.169 29.103 -2.218 1.00 0.00 C ATOM 458 C VAL A 30 -1.577 29.652 -3.511 1.00 0.00 C ATOM 459 O VAL A 30 -0.408 30.035 -3.548 1.00 0.00 O ATOM 460 CB VAL A 30 -2.174 27.559 -2.254 1.00 0.00 C ATOM 461 CG1 VAL A 30 -0.776 27.011 -2.504 1.00 0.00 C ATOM 462 CG2 VAL A 30 -2.737 27.007 -0.953 1.00 0.00 C ATOM 0 H VAL A 30 -4.253 28.946 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.541 29.429 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.811 27.239 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.810 25.922 -2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.406 27.380 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.109 27.338 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.736 25.918 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.121 27.343 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.758 27.364 -0.818 1.00 0.00 H new ATOM 472 N LYS A 31 -2.378 29.699 -4.567 1.00 0.00 N ATOM 473 CA LYS A 31 -1.906 30.217 -5.845 1.00 0.00 C ATOM 474 C LYS A 31 -1.589 31.705 -5.742 1.00 0.00 C ATOM 475 O LYS A 31 -0.553 32.165 -6.221 1.00 0.00 O ATOM 476 CB LYS A 31 -2.952 29.983 -6.936 1.00 0.00 C ATOM 477 CG LYS A 31 -2.461 30.329 -8.332 1.00 0.00 C ATOM 478 CD LYS A 31 -3.611 30.706 -9.252 1.00 0.00 C ATOM 479 CE LYS A 31 -3.105 31.246 -10.581 1.00 0.00 C ATOM 480 NZ LYS A 31 -4.164 31.991 -11.317 1.00 0.00 N ATOM 0 H LYS A 31 -3.349 29.388 -4.566 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.993 29.683 -6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.258 28.937 -6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.837 30.579 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.754 31.156 -8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.923 29.478 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.239 29.833 -9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.236 31.456 -8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.254 31.904 -10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.748 30.420 -11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.779 32.343 -12.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.966 31.357 -11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.487 32.794 -10.741 1.00 0.00 H new ATOM 494 N GLN A 32 -2.482 32.452 -5.103 1.00 0.00 N ATOM 495 CA GLN A 32 -2.294 33.888 -4.928 1.00 0.00 C ATOM 496 C GLN A 32 -1.088 34.186 -4.040 1.00 0.00 C ATOM 497 O GLN A 32 -0.308 35.095 -4.324 1.00 0.00 O ATOM 498 CB GLN A 32 -3.550 34.523 -4.332 1.00 0.00 C ATOM 499 CG GLN A 32 -3.483 36.039 -4.255 1.00 0.00 C ATOM 500 CD GLN A 32 -4.037 36.712 -5.496 1.00 0.00 C ATOM 501 OE1 GLN A 32 -4.916 36.173 -6.167 1.00 0.00 O ATOM 502 NE2 GLN A 32 -3.524 37.897 -5.806 1.00 0.00 N ATOM 0 H GLN A 32 -3.344 32.087 -4.697 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.108 34.320 -5.911 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.413 34.235 -4.932 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.710 34.123 -3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.040 36.380 -3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.447 36.346 -4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.796 38.307 -5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.858 38.398 -6.630 1.00 0.00 H new ATOM 511 N PHE A 33 -0.935 33.411 -2.969 1.00 0.00 N ATOM 512 CA PHE A 33 0.175 33.568 -2.035 1.00 0.00 C ATOM 513 C PHE A 33 1.528 33.189 -2.638 1.00 0.00 C ATOM 514 O PHE A 33 2.494 33.943 -2.519 1.00 0.00 O ATOM 515 CB PHE A 33 -0.152 32.772 -0.759 1.00 0.00 C ATOM 516 CG PHE A 33 1.022 32.331 0.073 1.00 0.00 C ATOM 517 CD1 PHE A 33 1.945 33.229 0.586 1.00 0.00 C ATOM 518 CD2 PHE A 33 1.167 30.986 0.370 1.00 0.00 C ATOM 519 CE1 PHE A 33 2.999 32.784 1.370 1.00 0.00 C ATOM 520 CE2 PHE A 33 2.213 30.536 1.149 1.00 0.00 C ATOM 521 CZ PHE A 33 3.131 31.434 1.650 1.00 0.00 C ATOM 0 H PHE A 33 -1.577 32.657 -2.725 1.00 0.00 H new ATOM 0 HA PHE A 33 0.282 34.624 -1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.804 33.382 -0.134 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.720 31.887 -1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.843 34.283 0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.449 30.277 -0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.716 33.490 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.312 29.483 1.366 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.952 31.086 2.260 1.00 0.00 H new ATOM 531 N PHE A 34 1.603 32.029 -3.273 1.00 0.00 N ATOM 532 CA PHE A 34 2.855 31.581 -3.873 1.00 0.00 C ATOM 533 C PHE A 34 3.164 32.277 -5.207 1.00 0.00 C ATOM 534 O PHE A 34 4.332 32.488 -5.537 1.00 0.00 O ATOM 535 CB PHE A 34 2.873 30.058 -3.999 1.00 0.00 C ATOM 536 CG PHE A 34 3.182 29.397 -2.684 1.00 0.00 C ATOM 537 CD1 PHE A 34 4.358 29.698 -2.013 1.00 0.00 C ATOM 538 CD2 PHE A 34 2.292 28.507 -2.099 1.00 0.00 C ATOM 539 CE1 PHE A 34 4.646 29.122 -0.790 1.00 0.00 C ATOM 540 CE2 PHE A 34 2.574 27.930 -0.872 1.00 0.00 C ATOM 541 CZ PHE A 34 3.754 28.238 -0.218 1.00 0.00 C ATOM 0 H PHE A 34 0.821 31.384 -3.387 1.00 0.00 H new ATOM 0 HA PHE A 34 3.660 31.876 -3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.906 29.711 -4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.617 29.762 -4.739 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.059 30.392 -2.452 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.370 28.262 -2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.568 29.364 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.873 27.240 -0.426 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.976 27.787 0.738 1.00 0.00 H new ATOM 551 N ASN A 35 2.134 32.658 -5.964 1.00 0.00 N ATOM 552 CA ASN A 35 2.355 33.353 -7.239 1.00 0.00 C ATOM 553 C ASN A 35 3.217 34.606 -7.041 1.00 0.00 C ATOM 554 O ASN A 35 3.940 35.026 -7.944 1.00 0.00 O ATOM 555 CB ASN A 35 1.025 33.722 -7.914 1.00 0.00 C ATOM 556 CG ASN A 35 0.413 32.578 -8.713 1.00 0.00 C ATOM 557 OD1 ASN A 35 -0.287 32.812 -9.699 1.00 0.00 O ATOM 558 ND2 ASN A 35 0.668 31.339 -8.305 1.00 0.00 N ATOM 0 H ASN A 35 1.155 32.502 -5.725 1.00 0.00 H new ATOM 0 HA ASN A 35 2.889 32.666 -7.895 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.316 34.042 -7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.186 34.572 -8.577 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.279 30.545 -8.813 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.252 31.183 -7.484 1.00 0.00 H new ATOM 565 N ASP A 36 3.137 35.183 -5.848 1.00 0.00 N ATOM 566 CA ASP A 36 3.905 36.380 -5.494 1.00 0.00 C ATOM 567 C ASP A 36 5.418 36.138 -5.572 1.00 0.00 C ATOM 568 O ASP A 36 6.205 37.085 -5.614 1.00 0.00 O ATOM 569 CB ASP A 36 3.524 36.860 -4.092 1.00 0.00 C ATOM 570 CG ASP A 36 2.044 37.170 -3.970 1.00 0.00 C ATOM 571 OD1 ASP A 36 1.450 37.630 -4.968 1.00 0.00 O ATOM 572 OD2 ASP A 36 1.479 36.955 -2.879 1.00 0.00 O ATOM 0 H ASP A 36 2.540 34.838 -5.096 1.00 0.00 H new ATOM 0 HA ASP A 36 3.656 37.152 -6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.794 36.096 -3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.101 37.752 -3.847 1.00 0.00 H new ATOM 577 N ASN A 37 5.818 34.869 -5.582 1.00 0.00 N ATOM 578 CA ASN A 37 7.239 34.520 -5.646 1.00 0.00 C ATOM 579 C ASN A 37 7.651 34.029 -7.036 1.00 0.00 C ATOM 580 O ASN A 37 8.842 33.980 -7.350 1.00 0.00 O ATOM 581 CB ASN A 37 7.596 33.477 -4.582 1.00 0.00 C ATOM 582 CG ASN A 37 7.066 32.096 -4.905 1.00 0.00 C ATOM 583 OD1 ASN A 37 7.441 31.495 -5.912 1.00 0.00 O ATOM 584 ND2 ASN A 37 6.191 31.583 -4.048 1.00 0.00 N ATOM 0 H ASN A 37 5.186 34.069 -5.547 1.00 0.00 H new ATOM 0 HA ASN A 37 7.799 35.433 -5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.680 33.429 -4.478 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.197 33.797 -3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.801 30.655 -4.211 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.909 32.117 -3.226 1.00 0.00 H new ATOM 591 N GLY A 38 6.676 33.676 -7.872 1.00 0.00 N ATOM 592 CA GLY A 38 6.990 33.215 -9.215 1.00 0.00 C ATOM 593 C GLY A 38 6.371 31.869 -9.558 1.00 0.00 C ATOM 594 O GLY A 38 6.784 31.222 -10.521 1.00 0.00 O ATOM 0 H GLY A 38 5.682 33.701 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.646 33.958 -9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.072 33.145 -9.322 1.00 0.00 H new ATOM 598 N VAL A 39 5.379 31.443 -8.781 1.00 0.00 N ATOM 599 CA VAL A 39 4.716 30.164 -9.029 1.00 0.00 C ATOM 600 C VAL A 39 3.535 30.333 -9.978 1.00 0.00 C ATOM 601 O VAL A 39 2.823 31.336 -9.926 1.00 0.00 O ATOM 602 CB VAL A 39 4.220 29.514 -7.723 1.00 0.00 C ATOM 603 CG1 VAL A 39 3.729 28.097 -7.982 1.00 0.00 C ATOM 604 CG2 VAL A 39 5.318 29.521 -6.672 1.00 0.00 C ATOM 0 H VAL A 39 5.018 31.960 -7.979 1.00 0.00 H new ATOM 0 HA VAL A 39 5.460 29.511 -9.486 1.00 0.00 H new ATOM 0 HB VAL A 39 3.382 30.100 -7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.383 27.655 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.907 28.122 -8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.545 27.498 -8.387 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.949 29.058 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.178 28.962 -7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.616 30.549 -6.464 1.00 0.00 H new ATOM 614 N ASP A 40 3.332 29.346 -10.846 1.00 0.00 N ATOM 615 CA ASP A 40 2.235 29.391 -11.807 1.00 0.00 C ATOM 616 C ASP A 40 1.838 27.987 -12.255 1.00 0.00 C ATOM 617 O ASP A 40 2.406 26.993 -11.800 1.00 0.00 O ATOM 618 CB ASP A 40 2.631 30.231 -13.022 1.00 0.00 C ATOM 619 CG ASP A 40 2.535 31.720 -12.751 1.00 0.00 C ATOM 620 OD1 ASP A 40 3.536 32.305 -12.286 1.00 0.00 O ATOM 621 OD2 ASP A 40 1.460 32.302 -13.004 1.00 0.00 O ATOM 0 H ASP A 40 3.911 28.508 -10.904 1.00 0.00 H new ATOM 0 HA ASP A 40 1.377 29.850 -11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.651 29.983 -13.315 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.986 29.975 -13.863 1.00 0.00 H new ATOM 626 N GLY A 41 0.858 27.916 -13.151 1.00 0.00 N ATOM 627 CA GLY A 41 0.394 26.636 -13.648 1.00 0.00 C ATOM 628 C GLY A 41 -1.065 26.384 -13.317 1.00 0.00 C ATOM 629 O GLY A 41 -1.875 27.311 -13.314 1.00 0.00 O ATOM 0 H GLY A 41 0.377 28.726 -13.542 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.531 26.597 -14.729 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.004 25.840 -13.221 1.00 0.00 H new ATOM 633 N GLU A 42 -1.400 25.130 -13.035 1.00 0.00 N ATOM 634 CA GLU A 42 -2.770 24.764 -12.698 1.00 0.00 C ATOM 635 C GLU A 42 -2.798 23.564 -11.758 1.00 0.00 C ATOM 636 O GLU A 42 -1.846 22.786 -11.702 1.00 0.00 O ATOM 637 CB GLU A 42 -3.565 24.456 -13.967 1.00 0.00 C ATOM 638 CG GLU A 42 -3.726 25.655 -14.889 1.00 0.00 C ATOM 639 CD GLU A 42 -4.929 25.530 -15.804 1.00 0.00 C ATOM 640 OE1 GLU A 42 -4.874 24.718 -16.750 1.00 0.00 O ATOM 641 OE2 GLU A 42 -5.927 26.247 -15.573 1.00 0.00 O ATOM 0 H GLU A 42 -0.742 24.351 -13.033 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.231 25.610 -12.188 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.068 23.653 -14.512 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.552 24.088 -13.687 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.823 26.560 -14.289 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.825 25.768 -15.492 1.00 0.00 H new ATOM 648 N TRP A 43 -3.896 23.420 -11.022 1.00 0.00 N ATOM 649 CA TRP A 43 -4.047 22.314 -10.086 1.00 0.00 C ATOM 650 C TRP A 43 -4.312 21.009 -10.820 1.00 0.00 C ATOM 651 O TRP A 43 -5.334 20.851 -11.487 1.00 0.00 O ATOM 652 CB TRP A 43 -5.174 22.603 -9.094 1.00 0.00 C ATOM 653 CG TRP A 43 -4.815 23.659 -8.093 1.00 0.00 C ATOM 654 CD1 TRP A 43 -5.173 24.976 -8.127 1.00 0.00 C ATOM 655 CD2 TRP A 43 -4.020 23.488 -6.913 1.00 0.00 C ATOM 656 NE1 TRP A 43 -4.651 25.634 -7.041 1.00 0.00 N ATOM 657 CE2 TRP A 43 -3.939 24.743 -6.280 1.00 0.00 C ATOM 658 CE3 TRP A 43 -3.370 22.397 -6.331 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -3.234 24.935 -5.095 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -2.670 22.588 -5.154 1.00 0.00 C ATOM 661 CH2 TRP A 43 -2.608 23.849 -4.546 1.00 0.00 C ATOM 0 H TRP A 43 -4.693 24.056 -11.057 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.112 22.210 -9.535 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.062 22.917 -9.643 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.432 21.684 -8.568 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.778 25.433 -8.896 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.773 26.625 -6.834 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.413 21.421 -6.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.183 25.906 -4.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.163 21.752 -4.696 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.055 23.966 -3.626 1.00 0.00 H new ATOM 672 N THR A 44 -3.379 20.076 -10.686 1.00 0.00 N ATOM 673 CA THR A 44 -3.501 18.779 -11.328 1.00 0.00 C ATOM 674 C THR A 44 -3.756 17.691 -10.295 1.00 0.00 C ATOM 675 O THR A 44 -3.179 17.699 -9.206 1.00 0.00 O ATOM 676 CB THR A 44 -2.236 18.459 -12.127 1.00 0.00 C ATOM 677 OG1 THR A 44 -1.126 18.294 -11.265 1.00 0.00 O ATOM 678 CG2 THR A 44 -1.880 19.529 -13.136 1.00 0.00 C ATOM 0 H THR A 44 -2.528 20.196 -10.136 1.00 0.00 H new ATOM 0 HA THR A 44 -4.349 18.814 -12.011 1.00 0.00 H new ATOM 0 HB THR A 44 -2.459 17.536 -12.663 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.257 18.831 -10.456 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.974 19.240 -13.668 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.697 19.644 -13.848 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.712 20.474 -12.620 1.00 0.00 H new ATOM 686 N TYR A 45 -4.617 16.752 -10.653 1.00 0.00 N ATOM 687 CA TYR A 45 -4.953 15.641 -9.772 1.00 0.00 C ATOM 688 C TYR A 45 -3.785 14.665 -9.662 1.00 0.00 C ATOM 689 O TYR A 45 -3.079 14.416 -10.640 1.00 0.00 O ATOM 690 CB TYR A 45 -6.201 14.916 -10.276 1.00 0.00 C ATOM 691 CG TYR A 45 -7.492 15.609 -9.901 1.00 0.00 C ATOM 692 CD1 TYR A 45 -8.086 15.384 -8.666 1.00 0.00 C ATOM 693 CD2 TYR A 45 -8.115 16.488 -10.778 1.00 0.00 C ATOM 694 CE1 TYR A 45 -9.265 16.014 -8.314 1.00 0.00 C ATOM 695 CE2 TYR A 45 -9.294 17.123 -10.433 1.00 0.00 C ATOM 696 CZ TYR A 45 -9.864 16.882 -9.201 1.00 0.00 C ATOM 697 OH TYR A 45 -11.037 17.513 -8.854 1.00 0.00 O ATOM 0 H TYR A 45 -5.099 16.736 -11.552 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.159 16.045 -8.781 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.147 14.827 -11.361 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.211 13.903 -9.873 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.619 14.705 -7.968 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.672 16.678 -11.744 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.714 15.827 -7.350 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.766 17.804 -11.125 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.327 18.092 -9.590 1.00 0.00 H new ATOM 707 N ASP A 46 -3.585 14.119 -8.468 1.00 0.00 N ATOM 708 CA ASP A 46 -2.500 13.173 -8.232 1.00 0.00 C ATOM 709 C ASP A 46 -2.796 11.829 -8.892 1.00 0.00 C ATOM 710 O ASP A 46 -3.947 11.516 -9.193 1.00 0.00 O ATOM 711 CB ASP A 46 -2.296 12.959 -6.731 1.00 0.00 C ATOM 712 CG ASP A 46 -1.794 14.202 -6.023 1.00 0.00 C ATOM 713 OD1 ASP A 46 -2.383 15.283 -6.229 1.00 0.00 O ATOM 714 OD2 ASP A 46 -0.811 14.092 -5.260 1.00 0.00 O ATOM 0 H ASP A 46 -4.160 14.315 -7.648 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.593 13.592 -8.668 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.239 12.646 -6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.585 12.147 -6.578 1.00 0.00 H new ATOM 719 N ASP A 47 -1.750 11.037 -9.107 1.00 0.00 N ATOM 720 CA ASP A 47 -1.903 9.724 -9.726 1.00 0.00 C ATOM 721 C ASP A 47 -2.682 8.784 -8.808 1.00 0.00 C ATOM 722 O ASP A 47 -2.427 8.723 -7.605 1.00 0.00 O ATOM 723 CB ASP A 47 -0.532 9.125 -10.045 1.00 0.00 C ATOM 724 CG ASP A 47 -0.030 9.524 -11.419 1.00 0.00 C ATOM 725 OD1 ASP A 47 0.431 10.674 -11.572 1.00 0.00 O ATOM 726 OD2 ASP A 47 -0.098 8.684 -12.343 1.00 0.00 O ATOM 0 H ASP A 47 -0.790 11.280 -8.863 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.461 9.846 -10.654 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.186 9.448 -9.291 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.591 8.038 -9.985 1.00 0.00 H new ATOM 731 N ALA A 48 -3.641 8.061 -9.381 1.00 0.00 N ATOM 732 CA ALA A 48 -4.471 7.135 -8.614 1.00 0.00 C ATOM 733 C ALA A 48 -3.630 6.120 -7.847 1.00 0.00 C ATOM 734 O ALA A 48 -2.634 5.607 -8.355 1.00 0.00 O ATOM 735 CB ALA A 48 -5.445 6.419 -9.538 1.00 0.00 C ATOM 0 H ALA A 48 -3.863 8.099 -10.376 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.029 7.719 -7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.059 5.731 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.086 7.151 -10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.889 5.861 -10.291 1.00 0.00 H new ATOM 741 N THR A 49 -4.049 5.836 -6.617 1.00 0.00 N ATOM 742 CA THR A 49 -3.352 4.884 -5.762 1.00 0.00 C ATOM 743 C THR A 49 -4.329 3.867 -5.179 1.00 0.00 C ATOM 744 O THR A 49 -5.527 4.134 -5.075 1.00 0.00 O ATOM 745 CB THR A 49 -2.625 5.613 -4.631 1.00 0.00 C ATOM 746 OG1 THR A 49 -1.896 6.718 -5.134 1.00 0.00 O ATOM 747 CG2 THR A 49 -1.657 4.729 -3.875 1.00 0.00 C ATOM 0 H THR A 49 -4.874 6.256 -6.189 1.00 0.00 H new ATOM 0 HA THR A 49 -2.619 4.356 -6.371 1.00 0.00 H new ATOM 0 HB THR A 49 -3.408 5.936 -3.945 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.999 6.726 -4.738 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.175 5.308 -3.087 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.198 3.893 -3.432 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.900 4.349 -4.561 1.00 0.00 H new ATOM 755 N LYS A 50 -3.815 2.701 -4.801 1.00 0.00 N ATOM 756 CA LYS A 50 -4.651 1.650 -4.231 1.00 0.00 C ATOM 757 C LYS A 50 -4.112 1.198 -2.876 1.00 0.00 C ATOM 758 O LYS A 50 -2.983 0.720 -2.771 1.00 0.00 O ATOM 759 CB LYS A 50 -4.730 0.457 -5.185 1.00 0.00 C ATOM 760 CG LYS A 50 -5.678 0.675 -6.352 1.00 0.00 C ATOM 761 CD LYS A 50 -5.362 -0.262 -7.508 1.00 0.00 C ATOM 762 CE LYS A 50 -5.895 0.280 -8.824 1.00 0.00 C ATOM 763 NZ LYS A 50 -5.225 -0.350 -9.996 1.00 0.00 N ATOM 0 H LYS A 50 -2.827 2.460 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.652 2.057 -4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.733 0.245 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.050 -0.423 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.705 0.515 -6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.609 1.709 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.283 -0.402 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.798 -1.242 -7.313 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.969 0.103 -8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.748 1.359 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.616 0.046 -10.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.203 -0.160 -9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.387 -1.377 -9.978 1.00 0.00 H new ATOM 777 N THR A 51 -4.935 1.354 -1.842 1.00 0.00 N ATOM 778 CA THR A 51 -4.554 0.965 -0.489 1.00 0.00 C ATOM 779 C THR A 51 -5.351 -0.260 -0.041 1.00 0.00 C ATOM 780 O THR A 51 -6.575 -0.296 -0.169 1.00 0.00 O ATOM 781 CB THR A 51 -4.769 2.145 0.469 1.00 0.00 C ATOM 782 OG1 THR A 51 -3.854 3.187 0.178 1.00 0.00 O ATOM 783 CG2 THR A 51 -4.600 1.788 1.930 1.00 0.00 C ATOM 0 H THR A 51 -5.873 1.748 -1.917 1.00 0.00 H new ATOM 0 HA THR A 51 -3.498 0.697 -0.477 1.00 0.00 H new ATOM 0 HB THR A 51 -5.802 2.455 0.313 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.093 3.986 0.693 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.768 2.674 2.543 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.321 1.017 2.202 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.590 1.416 2.099 1.00 0.00 H new ATOM 791 N PHE A 52 -4.649 -1.263 0.483 1.00 0.00 N ATOM 792 CA PHE A 52 -5.288 -2.491 0.947 1.00 0.00 C ATOM 793 C PHE A 52 -5.889 -2.314 2.338 1.00 0.00 C ATOM 794 O PHE A 52 -5.165 -2.109 3.312 1.00 0.00 O ATOM 795 CB PHE A 52 -4.280 -3.644 0.962 1.00 0.00 C ATOM 796 CG PHE A 52 -4.900 -4.982 1.250 1.00 0.00 C ATOM 797 CD1 PHE A 52 -5.422 -5.755 0.224 1.00 0.00 C ATOM 798 CD2 PHE A 52 -4.961 -5.469 2.547 1.00 0.00 C ATOM 799 CE1 PHE A 52 -5.992 -6.987 0.487 1.00 0.00 C ATOM 800 CE2 PHE A 52 -5.530 -6.699 2.815 1.00 0.00 C ATOM 801 CZ PHE A 52 -6.046 -7.460 1.783 1.00 0.00 C ATOM 0 H PHE A 52 -3.635 -1.248 0.597 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.095 -2.726 0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.776 -3.687 -0.003 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.516 -3.438 1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.383 -5.391 -0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.559 -4.879 3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.395 -7.579 -0.321 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.572 -7.066 3.830 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.490 -8.422 1.990 1.00 0.00 H new ATOM 811 N THR A 53 -7.210 -2.406 2.428 1.00 0.00 N ATOM 812 CA THR A 53 -7.896 -2.267 3.708 1.00 0.00 C ATOM 813 C THR A 53 -8.026 -3.626 4.391 1.00 0.00 C ATOM 814 O THR A 53 -8.581 -4.564 3.820 1.00 0.00 O ATOM 815 CB THR A 53 -9.279 -1.642 3.510 1.00 0.00 C ATOM 816 OG1 THR A 53 -9.172 -0.374 2.888 1.00 0.00 O ATOM 817 CG2 THR A 53 -10.046 -1.455 4.802 1.00 0.00 C ATOM 0 H THR A 53 -7.827 -2.576 1.633 1.00 0.00 H new ATOM 0 HA THR A 53 -7.305 -1.609 4.345 1.00 0.00 H new ATOM 0 HB THR A 53 -9.825 -2.347 2.882 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.689 -0.465 2.040 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.017 -1.008 4.587 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.191 -2.423 5.283 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.484 -0.800 5.467 1.00 0.00 H new ATOM 825 N VAL A 54 -7.507 -3.729 5.612 1.00 0.00 N ATOM 826 CA VAL A 54 -7.566 -4.981 6.359 1.00 0.00 C ATOM 827 C VAL A 54 -8.987 -5.275 6.826 1.00 0.00 C ATOM 828 O VAL A 54 -9.800 -4.366 6.989 1.00 0.00 O ATOM 829 CB VAL A 54 -6.638 -4.964 7.590 1.00 0.00 C ATOM 830 CG1 VAL A 54 -6.417 -6.378 8.106 1.00 0.00 C ATOM 831 CG2 VAL A 54 -5.310 -4.298 7.264 1.00 0.00 C ATOM 0 H VAL A 54 -7.043 -2.964 6.103 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.232 -5.761 5.675 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.122 -4.380 8.373 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.760 -6.350 8.975 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.374 -6.816 8.389 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.958 -6.983 7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.675 -4.300 8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.815 -4.846 6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.487 -3.270 6.946 1.00 0.00 H new ATOM 841 N THR A 55 -9.276 -6.554 7.043 1.00 0.00 N ATOM 842 CA THR A 55 -10.597 -6.973 7.496 1.00 0.00 C ATOM 843 C THR A 55 -10.499 -8.195 8.400 1.00 0.00 C ATOM 844 O THR A 55 -10.742 -8.113 9.604 1.00 0.00 O ATOM 845 CB THR A 55 -11.499 -7.279 6.298 1.00 0.00 C ATOM 846 OG1 THR A 55 -11.591 -6.156 5.440 1.00 0.00 O ATOM 847 CG2 THR A 55 -12.907 -7.671 6.692 1.00 0.00 C ATOM 0 H THR A 55 -8.613 -7.318 6.912 1.00 0.00 H new ATOM 0 HA THR A 55 -11.033 -6.154 8.068 1.00 0.00 H new ATOM 0 HB THR A 55 -11.031 -8.125 5.794 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.388 -6.240 4.875 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.493 -7.874 5.795 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.875 -8.565 7.315 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.369 -6.856 7.250 1.00 0.00 H new ATOM 855 N GLU A 56 -10.138 -9.326 7.810 1.00 0.00 N ATOM 856 CA GLU A 56 -10.002 -10.573 8.556 1.00 0.00 C ATOM 857 C GLU A 56 -11.326 -10.969 9.201 1.00 0.00 C ATOM 858 O GLU A 56 -12.381 -10.516 8.712 1.00 0.00 O ATOM 859 CB GLU A 56 -8.920 -10.436 9.629 1.00 0.00 C ATOM 860 CG GLU A 56 -7.607 -9.879 9.101 1.00 0.00 C ATOM 861 CD GLU A 56 -6.585 -9.660 10.199 1.00 0.00 C ATOM 862 OE1 GLU A 56 -6.329 -10.607 10.971 1.00 0.00 O ATOM 863 OE2 GLU A 56 -6.040 -8.539 10.287 1.00 0.00 O ATOM 864 OXT GLU A 56 -11.297 -11.731 10.191 1.00 0.00 O ATOM 0 H GLU A 56 -9.933 -9.407 6.814 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.711 -11.355 7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.288 -9.786 10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.737 -11.413 10.076 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.197 -10.565 8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.796 -8.934 8.591 1.00 0.00 H new ATOM 872 N MET B 1 -10.442 16.882 1.697 1.00 0.00 N ATOM 873 CA MET B 1 -9.488 16.586 0.599 1.00 0.00 C ATOM 874 C MET B 1 -8.047 16.847 1.031 1.00 0.00 C ATOM 875 O MET B 1 -7.771 17.784 1.780 1.00 0.00 O ATOM 876 CB MET B 1 -9.850 17.456 -0.608 1.00 0.00 C ATOM 877 CG MET B 1 -10.703 16.738 -1.642 1.00 0.00 C ATOM 878 SD MET B 1 -9.855 15.331 -2.387 1.00 0.00 S ATOM 879 CE MET B 1 -8.279 16.070 -2.807 1.00 0.00 C ATOM 0 H1 MET B 1 -11.415 16.843 1.331 1.00 0.00 H new ATOM 0 H2 MET B 1 -10.328 16.179 2.455 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.252 17.832 2.075 1.00 0.00 H new ATOM 0 HA MET B 1 -9.561 15.531 0.335 1.00 0.00 H new ATOM 0 HB2 MET B 1 -10.383 18.341 -0.261 1.00 0.00 H new ATOM 0 HB3 MET B 1 -8.933 17.803 -1.084 1.00 0.00 H new ATOM 0 HG2 MET B 1 -11.624 16.394 -1.172 1.00 0.00 H new ATOM 0 HG3 MET B 1 -10.987 17.442 -2.424 1.00 0.00 H new ATOM 0 HE1 MET B 1 -7.877 15.587 -3.698 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.416 17.134 -3.001 1.00 0.00 H new ATOM 0 HE3 MET B 1 -7.583 15.939 -1.978 1.00 0.00 H new ATOM 891 N GLN B 2 -7.134 16.017 0.538 1.00 0.00 N ATOM 892 CA GLN B 2 -5.717 16.161 0.859 1.00 0.00 C ATOM 893 C GLN B 2 -5.003 16.957 -0.230 1.00 0.00 C ATOM 894 O GLN B 2 -5.110 16.639 -1.414 1.00 0.00 O ATOM 895 CB GLN B 2 -5.057 14.791 1.043 1.00 0.00 C ATOM 896 CG GLN B 2 -5.160 13.886 -0.172 1.00 0.00 C ATOM 897 CD GLN B 2 -4.626 12.492 0.099 1.00 0.00 C ATOM 898 OE1 GLN B 2 -3.459 12.200 -0.163 1.00 0.00 O ATOM 899 NE2 GLN B 2 -5.480 11.623 0.629 1.00 0.00 N ATOM 0 H GLN B 2 -7.349 15.238 -0.085 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.634 16.706 1.799 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -4.005 14.936 1.287 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.515 14.290 1.896 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -6.202 13.819 -0.484 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -4.607 14.329 -1.000 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -6.439 11.908 0.830 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.177 10.671 0.835 1.00 0.00 H new ATOM 908 N TYR B 3 -4.286 18.002 0.177 1.00 0.00 N ATOM 909 CA TYR B 3 -3.573 18.851 -0.772 1.00 0.00 C ATOM 910 C TYR B 3 -2.062 18.653 -0.709 1.00 0.00 C ATOM 911 O TYR B 3 -1.458 18.679 0.365 1.00 0.00 O ATOM 912 CB TYR B 3 -3.915 20.322 -0.528 1.00 0.00 C ATOM 913 CG TYR B 3 -5.233 20.740 -1.138 1.00 0.00 C ATOM 914 CD1 TYR B 3 -5.347 20.948 -2.506 1.00 0.00 C ATOM 915 CD2 TYR B 3 -6.361 20.925 -0.349 1.00 0.00 C ATOM 916 CE1 TYR B 3 -6.547 21.330 -3.073 1.00 0.00 C ATOM 917 CE2 TYR B 3 -7.567 21.306 -0.909 1.00 0.00 C ATOM 918 CZ TYR B 3 -7.654 21.507 -2.271 1.00 0.00 C ATOM 919 OH TYR B 3 -8.852 21.885 -2.832 1.00 0.00 O ATOM 0 H TYR B 3 -4.184 18.280 1.153 1.00 0.00 H new ATOM 0 HA TYR B 3 -3.900 18.558 -1.770 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.945 20.507 0.546 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.120 20.945 -0.937 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.482 20.809 -3.138 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.295 20.769 0.718 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -6.618 21.489 -4.139 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.436 21.445 -0.283 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.812 22.832 -3.081 1.00 0.00 H new ATOM 929 N LYS B 4 -1.467 18.462 -1.883 1.00 0.00 N ATOM 930 CA LYS B 4 -0.026 18.265 -2.002 1.00 0.00 C ATOM 931 C LYS B 4 0.648 19.503 -2.592 1.00 0.00 C ATOM 932 O LYS B 4 0.290 19.958 -3.679 1.00 0.00 O ATOM 933 CB LYS B 4 0.271 17.045 -2.876 1.00 0.00 C ATOM 934 CG LYS B 4 1.709 16.563 -2.783 1.00 0.00 C ATOM 935 CD LYS B 4 1.845 15.124 -3.252 1.00 0.00 C ATOM 936 CE LYS B 4 3.292 14.660 -3.216 1.00 0.00 C ATOM 937 NZ LYS B 4 3.422 13.220 -3.574 1.00 0.00 N ATOM 0 H LYS B 4 -1.966 18.439 -2.772 1.00 0.00 H new ATOM 0 HA LYS B 4 0.376 18.097 -1.003 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.395 16.232 -2.588 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.045 17.289 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS B 4 2.349 17.206 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS B 4 2.056 16.645 -1.753 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.238 14.476 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS B 4 1.458 15.033 -4.267 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.883 15.261 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS B 4 3.702 14.825 -2.219 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 4.424 12.942 -3.538 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 2.879 12.644 -2.900 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.055 13.067 -4.535 1.00 0.00 H new ATOM 951 N VAL B 5 1.626 20.040 -1.869 1.00 0.00 N ATOM 952 CA VAL B 5 2.348 21.225 -2.325 1.00 0.00 C ATOM 953 C VAL B 5 3.829 21.138 -1.973 1.00 0.00 C ATOM 954 O VAL B 5 4.190 20.938 -0.814 1.00 0.00 O ATOM 955 CB VAL B 5 1.762 22.513 -1.717 1.00 0.00 C ATOM 956 CG1 VAL B 5 2.402 23.742 -2.347 1.00 0.00 C ATOM 957 CG2 VAL B 5 0.251 22.543 -1.889 1.00 0.00 C ATOM 0 H VAL B 5 1.937 19.676 -0.968 1.00 0.00 H new ATOM 0 HA VAL B 5 2.236 21.262 -3.409 1.00 0.00 H new ATOM 0 HB VAL B 5 1.985 22.524 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL B 5 1.975 24.642 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL B 5 3.477 23.725 -2.168 1.00 0.00 H new ATOM 0 HG13 VAL B 5 2.213 23.741 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -0.147 23.460 -1.454 1.00 0.00 H new ATOM 0 HG22 VAL B 5 0.005 22.509 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -0.190 21.682 -1.386 1.00 0.00 H new ATOM 967 N ILE B 6 4.685 21.284 -2.982 1.00 0.00 N ATOM 968 CA ILE B 6 6.126 21.219 -2.776 1.00 0.00 C ATOM 969 C ILE B 6 6.733 22.610 -2.607 1.00 0.00 C ATOM 970 O ILE B 6 6.695 23.430 -3.525 1.00 0.00 O ATOM 971 CB ILE B 6 6.823 20.506 -3.952 1.00 0.00 C ATOM 972 CG1 ILE B 6 6.127 19.179 -4.262 1.00 0.00 C ATOM 973 CG2 ILE B 6 8.294 20.276 -3.640 1.00 0.00 C ATOM 974 CD1 ILE B 6 6.603 18.530 -5.544 1.00 0.00 C ATOM 0 H ILE B 6 4.404 21.448 -3.949 1.00 0.00 H new ATOM 0 HA ILE B 6 6.287 20.650 -1.860 1.00 0.00 H new ATOM 0 HB ILE B 6 6.754 21.145 -4.832 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.291 18.490 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.052 19.349 -4.328 1.00 0.00 H new ATOM 0 HG21 ILE B 6 8.770 19.772 -4.481 1.00 0.00 H new ATOM 0 HG22 ILE B 6 8.784 21.234 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE B 6 8.384 19.657 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE B 6 6.066 17.594 -5.699 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.414 19.200 -6.383 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.672 18.328 -5.474 1.00 0.00 H new ATOM 986 N LEU B 7 7.308 22.862 -1.434 1.00 0.00 N ATOM 987 CA LEU B 7 7.941 24.147 -1.152 1.00 0.00 C ATOM 988 C LEU B 7 9.460 24.010 -1.243 1.00 0.00 C ATOM 989 O LEU B 7 10.051 23.149 -0.591 1.00 0.00 O ATOM 990 CB LEU B 7 7.533 24.661 0.236 1.00 0.00 C ATOM 991 CG LEU B 7 6.435 25.731 0.235 1.00 0.00 C ATOM 992 CD1 LEU B 7 5.083 25.112 0.560 1.00 0.00 C ATOM 993 CD2 LEU B 7 6.760 26.845 1.222 1.00 0.00 C ATOM 0 H LEU B 7 7.349 22.194 -0.664 1.00 0.00 H new ATOM 0 HA LEU B 7 7.605 24.871 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.194 23.815 0.835 1.00 0.00 H new ATOM 0 HB3 LEU B 7 8.415 25.068 0.730 1.00 0.00 H new ATOM 0 HG LEU B 7 6.387 26.164 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.317 25.887 0.554 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.840 24.356 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.123 24.648 1.546 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.966 27.592 1.202 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.842 26.429 2.226 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.705 27.313 0.945 1.00 0.00 H new ATOM 1208 N ASP B 22 9.540 29.180 1.454 1.00 0.00 N ATOM 1209 CA ASP B 22 10.306 28.465 2.469 1.00 0.00 C ATOM 1210 C ASP B 22 9.412 27.546 3.285 1.00 0.00 C ATOM 1211 O ASP B 22 8.238 27.836 3.516 1.00 0.00 O ATOM 1212 CB ASP B 22 11.023 29.451 3.392 1.00 0.00 C ATOM 1213 CG ASP B 22 12.425 29.777 2.912 1.00 0.00 C ATOM 1214 OD1 ASP B 22 12.687 29.624 1.702 1.00 0.00 O ATOM 1215 OD2 ASP B 22 13.258 30.185 3.748 1.00 0.00 O ATOM 0 HA ASP B 22 11.049 27.854 1.956 1.00 0.00 H new ATOM 0 HB2 ASP B 22 10.442 30.371 3.459 1.00 0.00 H new ATOM 0 HB3 ASP B 22 11.074 29.032 4.397 1.00 0.00 H new ATOM 1220 N ALA B 23 9.984 26.435 3.718 1.00 0.00 N ATOM 1221 CA ALA B 23 9.266 25.455 4.513 1.00 0.00 C ATOM 1222 C ALA B 23 8.595 26.109 5.720 1.00 0.00 C ATOM 1223 O ALA B 23 7.442 25.819 6.035 1.00 0.00 O ATOM 1224 CB ALA B 23 10.232 24.369 4.946 1.00 0.00 C ATOM 0 H ALA B 23 10.955 26.188 3.529 1.00 0.00 H new ATOM 0 HA ALA B 23 8.474 25.012 3.909 1.00 0.00 H new ATOM 0 HB1 ALA B 23 9.702 23.628 5.544 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.657 23.888 4.065 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.032 24.810 5.540 1.00 0.00 H new ATOM 1230 N ALA B 24 9.323 27.004 6.384 1.00 0.00 N ATOM 1231 CA ALA B 24 8.800 27.714 7.546 1.00 0.00 C ATOM 1232 C ALA B 24 7.678 28.668 7.144 1.00 0.00 C ATOM 1233 O ALA B 24 6.732 28.886 7.902 1.00 0.00 O ATOM 1234 CB ALA B 24 9.917 28.473 8.247 1.00 0.00 C ATOM 0 H ALA B 24 10.280 27.254 6.135 1.00 0.00 H new ATOM 0 HA ALA B 24 8.387 26.979 8.237 1.00 0.00 H new ATOM 0 HB1 ALA B 24 9.513 28.998 9.112 1.00 0.00 H new ATOM 0 HB2 ALA B 24 10.684 27.771 8.574 1.00 0.00 H new ATOM 0 HB3 ALA B 24 10.356 29.194 7.557 1.00 0.00 H new ATOM 1240 N THR B 25 7.793 29.232 5.944 1.00 0.00 N ATOM 1241 CA THR B 25 6.793 30.163 5.431 1.00 0.00 C ATOM 1242 C THR B 25 5.447 29.461 5.282 1.00 0.00 C ATOM 1243 O THR B 25 4.399 30.034 5.577 1.00 0.00 O ATOM 1244 CB THR B 25 7.257 30.737 4.085 1.00 0.00 C ATOM 1245 OG1 THR B 25 8.334 31.637 4.274 1.00 0.00 O ATOM 1246 CG2 THR B 25 6.177 31.477 3.320 1.00 0.00 C ATOM 0 H THR B 25 8.571 29.059 5.308 1.00 0.00 H new ATOM 0 HA THR B 25 6.674 30.984 6.138 1.00 0.00 H new ATOM 0 HB THR B 25 7.552 29.867 3.498 1.00 0.00 H new ATOM 0 HG1 THR B 25 8.619 31.993 3.406 1.00 0.00 H new ATOM 0 HG21 THR B 25 6.587 31.851 2.382 1.00 0.00 H new ATOM 0 HG22 THR B 25 5.350 30.799 3.110 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.817 32.314 3.917 1.00 0.00 H new ATOM 1254 N PHE B 26 5.492 28.212 4.836 1.00 0.00 N ATOM 1255 CA PHE B 26 4.280 27.420 4.663 1.00 0.00 C ATOM 1256 C PHE B 26 3.594 27.176 6.006 1.00 0.00 C ATOM 1257 O PHE B 26 2.396 27.413 6.156 1.00 0.00 O ATOM 1258 CB PHE B 26 4.606 26.083 3.995 1.00 0.00 C ATOM 1259 CG PHE B 26 3.388 25.277 3.649 1.00 0.00 C ATOM 1260 CD1 PHE B 26 2.618 25.603 2.544 1.00 0.00 C ATOM 1261 CD2 PHE B 26 3.011 24.197 4.429 1.00 0.00 C ATOM 1262 CE1 PHE B 26 1.494 24.865 2.224 1.00 0.00 C ATOM 1263 CE2 PHE B 26 1.888 23.454 4.114 1.00 0.00 C ATOM 1264 CZ PHE B 26 1.128 23.789 3.010 1.00 0.00 C ATOM 0 H PHE B 26 6.353 27.726 4.588 1.00 0.00 H new ATOM 0 HA PHE B 26 3.600 27.981 4.022 1.00 0.00 H new ATOM 0 HB2 PHE B 26 5.179 26.269 3.087 1.00 0.00 H new ATOM 0 HB3 PHE B 26 5.242 25.499 4.660 1.00 0.00 H new ATOM 0 HD1 PHE B 26 2.899 26.443 1.926 1.00 0.00 H new ATOM 0 HD2 PHE B 26 3.601 23.932 5.294 1.00 0.00 H new ATOM 0 HE1 PHE B 26 0.902 25.129 1.360 1.00 0.00 H new ATOM 0 HE2 PHE B 26 1.606 22.613 4.730 1.00 0.00 H new ATOM 0 HZ PHE B 26 0.250 23.211 2.762 1.00 0.00 H new ATOM 1274 N GLU B 27 4.365 26.693 6.975 1.00 0.00 N ATOM 1275 CA GLU B 27 3.840 26.401 8.306 1.00 0.00 C ATOM 1276 C GLU B 27 3.172 27.622 8.933 1.00 0.00 C ATOM 1277 O GLU B 27 2.059 27.531 9.453 1.00 0.00 O ATOM 1278 CB GLU B 27 4.964 25.904 9.219 1.00 0.00 C ATOM 1279 CG GLU B 27 5.569 24.582 8.775 1.00 0.00 C ATOM 1280 CD GLU B 27 6.841 24.243 9.526 1.00 0.00 C ATOM 1281 OE1 GLU B 27 7.697 25.139 9.681 1.00 0.00 O ATOM 1282 OE2 GLU B 27 6.982 23.080 9.961 1.00 0.00 O ATOM 0 H GLU B 27 5.359 26.495 6.863 1.00 0.00 H new ATOM 0 HA GLU B 27 3.084 25.623 8.196 1.00 0.00 H new ATOM 0 HB2 GLU B 27 5.750 26.659 9.258 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.576 25.795 10.232 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.840 23.785 8.923 1.00 0.00 H new ATOM 0 HG3 GLU B 27 5.782 24.624 7.707 1.00 0.00 H new ATOM 1289 N LYS B 28 3.864 28.755 8.906 1.00 0.00 N ATOM 1290 CA LYS B 28 3.344 29.984 9.501 1.00 0.00 C ATOM 1291 C LYS B 28 2.132 30.530 8.746 1.00 0.00 C ATOM 1292 O LYS B 28 1.115 30.861 9.358 1.00 0.00 O ATOM 1293 CB LYS B 28 4.442 31.049 9.554 1.00 0.00 C ATOM 1294 CG LYS B 28 4.061 32.275 10.368 1.00 0.00 C ATOM 1295 CD LYS B 28 5.183 33.299 10.393 1.00 0.00 C ATOM 1296 CE LYS B 28 6.113 33.080 11.576 1.00 0.00 C ATOM 1297 NZ LYS B 28 5.504 33.543 12.853 1.00 0.00 N ATOM 0 H LYS B 28 4.786 28.850 8.479 1.00 0.00 H new ATOM 0 HA LYS B 28 3.017 29.737 10.511 1.00 0.00 H new ATOM 0 HB2 LYS B 28 5.344 30.608 9.977 1.00 0.00 H new ATOM 0 HB3 LYS B 28 4.685 31.359 8.538 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.163 32.728 9.947 1.00 0.00 H new ATOM 0 HG3 LYS B 28 3.818 31.975 11.387 1.00 0.00 H new ATOM 0 HD2 LYS B 28 5.752 33.239 9.466 1.00 0.00 H new ATOM 0 HD3 LYS B 28 4.760 34.302 10.443 1.00 0.00 H new ATOM 0 HE2 LYS B 28 6.359 32.021 11.654 1.00 0.00 H new ATOM 0 HE3 LYS B 28 7.049 33.612 11.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 6.224 33.535 13.604 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 5.139 34.509 12.733 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 4.723 32.908 13.116 1.00 0.00 H new ATOM 1311 N VAL B 29 2.234 30.631 7.424 1.00 0.00 N ATOM 1312 CA VAL B 29 1.134 31.146 6.609 1.00 0.00 C ATOM 1313 C VAL B 29 -0.095 30.241 6.665 1.00 0.00 C ATOM 1314 O VAL B 29 -1.224 30.720 6.772 1.00 0.00 O ATOM 1315 CB VAL B 29 1.555 31.315 5.135 1.00 0.00 C ATOM 1316 CG1 VAL B 29 0.401 31.858 4.300 1.00 0.00 C ATOM 1317 CG2 VAL B 29 2.772 32.222 5.029 1.00 0.00 C ATOM 0 H VAL B 29 3.064 30.364 6.894 1.00 0.00 H new ATOM 0 HA VAL B 29 0.878 32.118 7.030 1.00 0.00 H new ATOM 0 HB VAL B 29 1.823 30.334 4.741 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.722 31.969 3.264 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.440 31.166 4.347 1.00 0.00 H new ATOM 0 HG13 VAL B 29 0.094 32.828 4.691 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.055 32.330 3.982 1.00 0.00 H new ATOM 0 HG22 VAL B 29 2.533 33.201 5.443 1.00 0.00 H new ATOM 0 HG23 VAL B 29 3.601 31.785 5.586 1.00 0.00 H new ATOM 1327 N VAL B 30 0.133 28.936 6.577 1.00 0.00 N ATOM 1328 CA VAL B 30 -0.959 27.969 6.599 1.00 0.00 C ATOM 1329 C VAL B 30 -1.630 27.911 7.966 1.00 0.00 C ATOM 1330 O VAL B 30 -2.858 27.879 8.058 1.00 0.00 O ATOM 1331 CB VAL B 30 -0.472 26.562 6.191 1.00 0.00 C ATOM 1332 CG1 VAL B 30 -1.618 25.558 6.207 1.00 0.00 C ATOM 1333 CG2 VAL B 30 0.173 26.610 4.813 1.00 0.00 C ATOM 0 H VAL B 30 1.062 28.523 6.490 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.695 28.307 5.870 1.00 0.00 H new ATOM 0 HB VAL B 30 0.271 26.234 6.918 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.245 24.576 5.916 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.040 25.503 7.211 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -2.390 25.876 5.506 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.513 25.612 4.535 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.555 26.962 4.082 1.00 0.00 H new ATOM 0 HG23 VAL B 30 1.024 27.291 4.833 1.00 0.00 H new ATOM 1343 N LYS B 31 -0.835 27.902 9.028 1.00 0.00 N ATOM 1344 CA LYS B 31 -1.383 27.856 10.378 1.00 0.00 C ATOM 1345 C LYS B 31 -2.154 29.134 10.692 1.00 0.00 C ATOM 1346 O LYS B 31 -3.258 29.090 11.233 1.00 0.00 O ATOM 1347 CB LYS B 31 -0.266 27.658 11.404 1.00 0.00 C ATOM 1348 CG LYS B 31 -0.774 27.412 12.814 1.00 0.00 C ATOM 1349 CD LYS B 31 0.237 27.855 13.859 1.00 0.00 C ATOM 1350 CE LYS B 31 -0.351 27.805 15.259 1.00 0.00 C ATOM 1351 NZ LYS B 31 0.457 28.593 16.231 1.00 0.00 N ATOM 0 H LYS B 31 0.184 27.926 8.982 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.069 27.011 10.434 1.00 0.00 H new ATOM 0 HB2 LYS B 31 0.353 26.815 11.097 1.00 0.00 H new ATOM 0 HB3 LYS B 31 0.375 28.540 11.406 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -1.711 27.949 12.963 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.991 26.352 12.943 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.117 27.214 13.810 1.00 0.00 H new ATOM 0 HD3 LYS B 31 0.569 28.870 13.639 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -1.370 28.190 15.238 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -0.409 26.769 15.591 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 0.022 28.533 17.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.423 28.210 16.271 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 0.491 29.587 15.928 1.00 0.00 H new ATOM 1365 N GLN B 32 -1.569 30.273 10.338 1.00 0.00 N ATOM 1366 CA GLN B 32 -2.204 31.565 10.573 1.00 0.00 C ATOM 1367 C GLN B 32 -3.482 31.715 9.752 1.00 0.00 C ATOM 1368 O GLN B 32 -4.493 32.215 10.247 1.00 0.00 O ATOM 1369 CB GLN B 32 -1.238 32.703 10.247 1.00 0.00 C ATOM 1370 CG GLN B 32 -1.778 34.077 10.610 1.00 0.00 C ATOM 1371 CD GLN B 32 -1.410 34.492 12.022 1.00 0.00 C ATOM 1372 OE1 GLN B 32 -0.387 34.070 12.559 1.00 0.00 O ATOM 1373 NE2 GLN B 32 -2.248 35.324 12.631 1.00 0.00 N ATOM 0 H GLN B 32 -0.656 30.328 9.887 1.00 0.00 H new ATOM 0 HA GLN B 32 -2.470 31.614 11.629 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -0.301 32.537 10.778 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -1.009 32.681 9.182 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -1.391 34.813 9.906 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -2.863 34.076 10.506 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -3.085 35.649 12.148 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -2.054 35.638 13.582 1.00 0.00 H new ATOM 1382 N PHE B 33 -3.436 31.270 8.498 1.00 0.00 N ATOM 1383 CA PHE B 33 -4.582 31.335 7.597 1.00 0.00 C ATOM 1384 C PHE B 33 -5.721 30.398 8.001 1.00 0.00 C ATOM 1385 O PHE B 33 -6.878 30.815 8.057 1.00 0.00 O ATOM 1386 CB PHE B 33 -4.082 31.081 6.163 1.00 0.00 C ATOM 1387 CG PHE B 33 -5.097 30.556 5.184 1.00 0.00 C ATOM 1388 CD1 PHE B 33 -6.276 31.230 4.907 1.00 0.00 C ATOM 1389 CD2 PHE B 33 -4.829 29.378 4.506 1.00 0.00 C ATOM 1390 CE1 PHE B 33 -7.173 30.724 3.979 1.00 0.00 C ATOM 1391 CE2 PHE B 33 -5.717 28.869 3.582 1.00 0.00 C ATOM 1392 CZ PHE B 33 -6.892 29.541 3.317 1.00 0.00 C ATOM 0 H PHE B 33 -2.604 30.855 8.079 1.00 0.00 H new ATOM 0 HA PHE B 33 -5.024 32.330 7.657 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -3.680 32.015 5.771 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.255 30.373 6.210 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -6.497 32.156 5.418 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -3.909 28.849 4.705 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.092 31.253 3.772 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -5.493 27.946 3.067 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.591 29.145 2.595 1.00 0.00 H new ATOM 1402 N PHE B 34 -5.403 29.141 8.272 1.00 0.00 N ATOM 1403 CA PHE B 34 -6.424 28.173 8.657 1.00 0.00 C ATOM 1404 C PHE B 34 -6.873 28.324 10.118 1.00 0.00 C ATOM 1405 O PHE B 34 -8.030 28.055 10.439 1.00 0.00 O ATOM 1406 CB PHE B 34 -5.962 26.751 8.340 1.00 0.00 C ATOM 1407 CG PHE B 34 -6.110 26.436 6.875 1.00 0.00 C ATOM 1408 CD1 PHE B 34 -7.350 26.535 6.264 1.00 0.00 C ATOM 1409 CD2 PHE B 34 -5.015 26.074 6.104 1.00 0.00 C ATOM 1410 CE1 PHE B 34 -7.500 26.276 4.916 1.00 0.00 C ATOM 1411 CE2 PHE B 34 -5.159 25.817 4.750 1.00 0.00 C ATOM 1412 CZ PHE B 34 -6.404 25.916 4.157 1.00 0.00 C ATOM 0 H PHE B 34 -4.455 28.768 8.234 1.00 0.00 H new ATOM 0 HA PHE B 34 -7.310 28.383 8.058 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -4.920 26.632 8.635 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.543 26.039 8.927 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -8.211 26.819 6.851 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.041 25.992 6.563 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -8.474 26.355 4.456 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -4.299 25.540 4.158 1.00 0.00 H new ATOM 0 HZ PHE B 34 -6.519 25.712 3.103 1.00 0.00 H new ATOM 1422 N ASN B 35 -5.979 28.774 11.000 1.00 0.00 N ATOM 1423 CA ASN B 35 -6.346 28.970 12.409 1.00 0.00 C ATOM 1424 C ASN B 35 -7.563 29.893 12.538 1.00 0.00 C ATOM 1425 O ASN B 35 -8.339 29.789 13.488 1.00 0.00 O ATOM 1426 CB ASN B 35 -5.168 29.523 13.224 1.00 0.00 C ATOM 1427 CG ASN B 35 -4.195 28.448 13.688 1.00 0.00 C ATOM 1428 OD1 ASN B 35 -3.558 28.593 14.732 1.00 0.00 O ATOM 1429 ND2 ASN B 35 -4.071 27.363 12.931 1.00 0.00 N ATOM 0 H ASN B 35 -5.012 29.007 10.773 1.00 0.00 H new ATOM 0 HA ASN B 35 -6.609 27.993 12.815 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.630 30.254 12.620 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.555 30.052 14.095 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -3.433 26.618 13.209 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -4.614 27.276 12.072 1.00 0.00 H new ATOM 1436 N ASP B 36 -7.722 30.785 11.567 1.00 0.00 N ATOM 1437 CA ASP B 36 -8.840 31.731 11.535 1.00 0.00 C ATOM 1438 C ASP B 36 -10.197 31.020 11.470 1.00 0.00 C ATOM 1439 O ASP B 36 -11.236 31.623 11.742 1.00 0.00 O ATOM 1440 CB ASP B 36 -8.692 32.688 10.350 1.00 0.00 C ATOM 1441 CG ASP B 36 -7.395 33.474 10.402 1.00 0.00 C ATOM 1442 OD1 ASP B 36 -6.958 33.826 11.518 1.00 0.00 O ATOM 1443 OD2 ASP B 36 -6.818 33.739 9.327 1.00 0.00 O ATOM 0 H ASP B 36 -7.082 30.876 10.778 1.00 0.00 H new ATOM 0 HA ASP B 36 -8.811 32.298 12.466 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -8.733 32.120 9.420 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -9.534 33.381 10.338 1.00 0.00 H new ATOM 1448 N ASN B 37 -10.183 29.743 11.096 1.00 0.00 N ATOM 1449 CA ASN B 37 -11.421 28.967 10.988 1.00 0.00 C ATOM 1450 C ASN B 37 -11.595 27.992 12.156 1.00 0.00 C ATOM 1451 O ASN B 37 -12.695 27.488 12.386 1.00 0.00 O ATOM 1452 CB ASN B 37 -11.485 28.219 9.652 1.00 0.00 C ATOM 1453 CG ASN B 37 -10.538 27.038 9.589 1.00 0.00 C ATOM 1454 OD1 ASN B 37 -10.660 26.088 10.362 1.00 0.00 O ATOM 1455 ND2 ASN B 37 -9.588 27.094 8.663 1.00 0.00 N ATOM 0 H ASN B 37 -9.336 29.224 10.864 1.00 0.00 H new ATOM 0 HA ASN B 37 -12.246 29.679 11.030 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -12.504 27.870 9.486 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -11.249 28.910 8.843 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.920 26.329 8.570 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -9.526 27.902 8.044 1.00 0.00 H new ATOM 1462 N GLY B 38 -10.521 27.735 12.901 1.00 0.00 N ATOM 1463 CA GLY B 38 -10.614 26.832 14.038 1.00 0.00 C ATOM 1464 C GLY B 38 -9.592 25.706 14.007 1.00 0.00 C ATOM 1465 O GLY B 38 -9.741 24.712 14.719 1.00 0.00 O ATOM 0 H GLY B 38 -9.595 28.132 12.740 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -10.484 27.404 14.957 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -11.615 26.402 14.069 1.00 0.00 H new ATOM 1469 N VAL B 39 -8.553 25.853 13.191 1.00 0.00 N ATOM 1470 CA VAL B 39 -7.514 24.830 13.093 1.00 0.00 C ATOM 1471 C VAL B 39 -6.401 25.078 14.105 1.00 0.00 C ATOM 1472 O VAL B 39 -6.040 26.222 14.377 1.00 0.00 O ATOM 1473 CB VAL B 39 -6.901 24.771 11.680 1.00 0.00 C ATOM 1474 CG1 VAL B 39 -5.981 23.567 11.543 1.00 0.00 C ATOM 1475 CG2 VAL B 39 -7.995 24.737 10.624 1.00 0.00 C ATOM 0 H VAL B 39 -8.407 26.665 12.591 1.00 0.00 H new ATOM 0 HA VAL B 39 -7.996 23.876 13.308 1.00 0.00 H new ATOM 0 HB VAL B 39 -6.306 25.671 11.526 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -5.559 23.544 10.538 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -5.175 23.640 12.274 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -6.549 22.653 11.719 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -7.543 24.696 9.633 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.619 23.856 10.775 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -8.608 25.635 10.706 1.00 0.00 H new ATOM 1485 N ASP B 40 -5.861 23.998 14.661 1.00 0.00 N ATOM 1486 CA ASP B 40 -4.789 24.104 15.646 1.00 0.00 C ATOM 1487 C ASP B 40 -3.953 22.829 15.689 1.00 0.00 C ATOM 1488 O ASP B 40 -4.198 21.886 14.935 1.00 0.00 O ATOM 1489 CB ASP B 40 -5.371 24.393 17.031 1.00 0.00 C ATOM 1490 CG ASP B 40 -5.771 25.846 17.198 1.00 0.00 C ATOM 1491 OD1 ASP B 40 -6.926 26.187 16.864 1.00 0.00 O ATOM 1492 OD2 ASP B 40 -4.930 26.643 17.664 1.00 0.00 O ATOM 0 H ASP B 40 -6.147 23.042 14.448 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.140 24.928 15.350 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -6.241 23.758 17.196 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -4.636 24.131 17.793 1.00 0.00 H new ATOM 1497 N GLY B 41 -2.964 22.809 16.578 1.00 0.00 N ATOM 1498 CA GLY B 41 -2.102 21.648 16.705 1.00 0.00 C ATOM 1499 C GLY B 41 -0.655 21.971 16.387 1.00 0.00 C ATOM 1500 O GLY B 41 -0.174 23.063 16.689 1.00 0.00 O ATOM 0 H GLY B 41 -2.744 23.577 17.213 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -2.170 21.256 17.720 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -2.453 20.862 16.036 1.00 0.00 H new ATOM 1504 N GLU B 42 0.042 21.019 15.772 1.00 0.00 N ATOM 1505 CA GLU B 42 1.442 21.212 15.411 1.00 0.00 C ATOM 1506 C GLU B 42 1.799 20.404 14.168 1.00 0.00 C ATOM 1507 O GLU B 42 1.135 19.418 13.844 1.00 0.00 O ATOM 1508 CB GLU B 42 2.350 20.816 16.575 1.00 0.00 C ATOM 1509 CG GLU B 42 2.163 21.680 17.812 1.00 0.00 C ATOM 1510 CD GLU B 42 3.383 21.688 18.709 1.00 0.00 C ATOM 1511 OE1 GLU B 42 3.638 20.662 19.375 1.00 0.00 O ATOM 1512 OE2 GLU B 42 4.088 22.719 18.746 1.00 0.00 O ATOM 0 H GLU B 42 -0.339 20.109 15.514 1.00 0.00 H new ATOM 0 HA GLU B 42 1.593 22.268 15.189 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.159 19.775 16.836 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.389 20.878 16.252 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.935 22.701 17.506 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.304 21.318 18.377 1.00 0.00 H new ATOM 1519 N TRP B 43 2.851 20.827 13.476 1.00 0.00 N ATOM 1520 CA TRP B 43 3.296 20.140 12.270 1.00 0.00 C ATOM 1521 C TRP B 43 3.989 18.831 12.610 1.00 0.00 C ATOM 1522 O TRP B 43 5.039 18.814 13.252 1.00 0.00 O ATOM 1523 CB TRP B 43 4.230 21.039 11.456 1.00 0.00 C ATOM 1524 CG TRP B 43 3.514 22.171 10.785 1.00 0.00 C ATOM 1525 CD1 TRP B 43 3.448 23.465 11.210 1.00 0.00 C ATOM 1526 CD2 TRP B 43 2.756 22.106 9.570 1.00 0.00 C ATOM 1527 NE1 TRP B 43 2.696 24.211 10.334 1.00 0.00 N ATOM 1528 CE2 TRP B 43 2.260 23.400 9.319 1.00 0.00 C ATOM 1529 CE3 TRP B 43 2.450 21.081 8.670 1.00 0.00 C ATOM 1530 CZ2 TRP B 43 1.476 23.694 8.207 1.00 0.00 C ATOM 1531 CZ3 TRP B 43 1.671 21.375 7.566 1.00 0.00 C ATOM 1532 CH2 TRP B 43 1.192 22.672 7.343 1.00 0.00 C ATOM 0 H TRP B 43 3.411 21.641 13.729 1.00 0.00 H new ATOM 0 HA TRP B 43 2.416 19.912 11.669 1.00 0.00 H new ATOM 0 HB2 TRP B 43 5.001 21.442 12.113 1.00 0.00 H new ATOM 0 HB3 TRP B 43 4.737 20.438 10.701 1.00 0.00 H new ATOM 0 HD1 TRP B 43 3.918 23.848 12.104 1.00 0.00 H new ATOM 0 HE1 TRP B 43 2.495 25.207 10.425 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.815 20.078 8.834 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 1.105 24.693 8.033 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 1.428 20.591 6.864 1.00 0.00 H new ATOM 0 HH2 TRP B 43 0.586 22.869 6.471 1.00 0.00 H new ATOM 1543 N THR B 44 3.389 17.733 12.168 1.00 0.00 N ATOM 1544 CA THR B 44 3.939 16.412 12.418 1.00 0.00 C ATOM 1545 C THR B 44 4.472 15.801 11.128 1.00 0.00 C ATOM 1546 O THR B 44 3.872 15.942 10.063 1.00 0.00 O ATOM 1547 CB THR B 44 2.876 15.498 13.029 1.00 0.00 C ATOM 1548 OG1 THR B 44 1.833 15.251 12.103 1.00 0.00 O ATOM 1549 CG2 THR B 44 2.250 16.066 14.285 1.00 0.00 C ATOM 0 H THR B 44 2.520 17.734 11.634 1.00 0.00 H new ATOM 0 HA THR B 44 4.764 16.514 13.123 1.00 0.00 H new ATOM 0 HB THR B 44 3.400 14.578 13.287 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.796 15.980 11.449 1.00 0.00 H new ATOM 0 HG21 THR B 44 1.505 15.369 14.667 1.00 0.00 H new ATOM 0 HG22 THR B 44 3.022 16.221 15.038 1.00 0.00 H new ATOM 0 HG23 THR B 44 1.772 17.018 14.055 1.00 0.00 H new ATOM 1557 N TYR B 45 5.598 15.117 11.243 1.00 0.00 N ATOM 1558 CA TYR B 45 6.222 14.467 10.097 1.00 0.00 C ATOM 1559 C TYR B 45 5.413 13.253 9.657 1.00 0.00 C ATOM 1560 O TYR B 45 4.864 12.528 10.487 1.00 0.00 O ATOM 1561 CB TYR B 45 7.657 14.056 10.432 1.00 0.00 C ATOM 1562 CG TYR B 45 8.647 15.193 10.334 1.00 0.00 C ATOM 1563 CD1 TYR B 45 9.228 15.528 9.116 1.00 0.00 C ATOM 1564 CD2 TYR B 45 9.002 15.934 11.454 1.00 0.00 C ATOM 1565 CE1 TYR B 45 10.132 16.568 9.018 1.00 0.00 C ATOM 1566 CE2 TYR B 45 9.905 16.976 11.364 1.00 0.00 C ATOM 1567 CZ TYR B 45 10.467 17.289 10.143 1.00 0.00 C ATOM 1568 OH TYR B 45 11.367 18.326 10.050 1.00 0.00 O ATOM 0 H TYR B 45 6.102 14.996 12.121 1.00 0.00 H new ATOM 0 HA TYR B 45 6.246 15.180 9.273 1.00 0.00 H new ATOM 0 HB2 TYR B 45 7.683 13.648 11.442 1.00 0.00 H new ATOM 0 HB3 TYR B 45 7.965 13.257 9.757 1.00 0.00 H new ATOM 0 HD1 TYR B 45 8.968 14.966 8.231 1.00 0.00 H new ATOM 0 HD2 TYR B 45 8.565 15.692 12.411 1.00 0.00 H new ATOM 0 HE1 TYR B 45 10.574 16.815 8.064 1.00 0.00 H new ATOM 0 HE2 TYR B 45 10.170 17.543 12.245 1.00 0.00 H new ATOM 0 HH TYR B 45 11.492 18.731 10.934 1.00 0.00 H new ATOM 1578 N ASP B 46 5.338 13.039 8.347 1.00 0.00 N ATOM 1579 CA ASP B 46 4.591 11.912 7.798 1.00 0.00 C ATOM 1580 C ASP B 46 5.319 10.596 8.057 1.00 0.00 C ATOM 1581 O ASP B 46 6.522 10.581 8.311 1.00 0.00 O ATOM 1582 CB ASP B 46 4.397 12.087 6.291 1.00 0.00 C ATOM 1583 CG ASP B 46 3.496 13.256 5.946 1.00 0.00 C ATOM 1584 OD1 ASP B 46 3.726 14.360 6.481 1.00 0.00 O ATOM 1585 OD2 ASP B 46 2.562 13.068 5.139 1.00 0.00 O ATOM 0 H ASP B 46 5.785 13.630 7.646 1.00 0.00 H new ATOM 0 HA ASP B 46 3.620 11.885 8.293 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.369 12.232 5.819 1.00 0.00 H new ATOM 0 HB3 ASP B 46 3.973 11.173 5.875 1.00 0.00 H new ATOM 1590 N ASP B 47 4.579 9.493 7.990 1.00 0.00 N ATOM 1591 CA ASP B 47 5.159 8.173 8.214 1.00 0.00 C ATOM 1592 C ASP B 47 6.151 7.827 7.105 1.00 0.00 C ATOM 1593 O ASP B 47 5.872 8.032 5.924 1.00 0.00 O ATOM 1594 CB ASP B 47 4.057 7.113 8.280 1.00 0.00 C ATOM 1595 CG ASP B 47 3.522 6.919 9.684 1.00 0.00 C ATOM 1596 OD1 ASP B 47 2.729 7.769 10.140 1.00 0.00 O ATOM 1597 OD2 ASP B 47 3.896 5.917 10.330 1.00 0.00 O ATOM 0 H ASP B 47 3.580 9.487 7.783 1.00 0.00 H new ATOM 0 HA ASP B 47 5.691 8.189 9.165 1.00 0.00 H new ATOM 0 HB2 ASP B 47 3.239 7.402 7.620 1.00 0.00 H new ATOM 0 HB3 ASP B 47 4.446 6.165 7.909 1.00 0.00 H new ATOM 1602 N ALA B 48 7.315 7.315 7.495 1.00 0.00 N ATOM 1603 CA ALA B 48 8.357 6.955 6.538 1.00 0.00 C ATOM 1604 C ALA B 48 7.842 5.993 5.470 1.00 0.00 C ATOM 1605 O ALA B 48 7.079 5.072 5.761 1.00 0.00 O ATOM 1606 CB ALA B 48 9.546 6.346 7.266 1.00 0.00 C ATOM 0 H ALA B 48 7.561 7.140 8.469 1.00 0.00 H new ATOM 0 HA ALA B 48 8.671 7.868 6.032 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.318 6.081 6.544 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.947 7.069 7.976 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.226 5.451 7.800 1.00 0.00 H new ATOM 1612 N THR B 49 8.276 6.218 4.232 1.00 0.00 N ATOM 1613 CA THR B 49 7.874 5.382 3.105 1.00 0.00 C ATOM 1614 C THR B 49 9.091 4.932 2.301 1.00 0.00 C ATOM 1615 O THR B 49 10.140 5.576 2.337 1.00 0.00 O ATOM 1616 CB THR B 49 6.905 6.141 2.196 1.00 0.00 C ATOM 1617 OG1 THR B 49 5.891 6.770 2.959 1.00 0.00 O ATOM 1618 CG2 THR B 49 6.228 5.256 1.171 1.00 0.00 C ATOM 0 H THR B 49 8.910 6.977 3.984 1.00 0.00 H new ATOM 0 HA THR B 49 7.373 4.499 3.503 1.00 0.00 H new ATOM 0 HB THR B 49 7.516 6.875 1.670 1.00 0.00 H new ATOM 0 HG1 THR B 49 5.022 6.626 2.530 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.555 5.857 0.560 1.00 0.00 H new ATOM 0 HG22 THR B 49 6.982 4.795 0.534 1.00 0.00 H new ATOM 0 HG23 THR B 49 5.659 4.479 1.681 1.00 0.00 H new ATOM 1626 N LYS B 50 8.948 3.825 1.579 1.00 0.00 N ATOM 1627 CA LYS B 50 10.042 3.296 0.770 1.00 0.00 C ATOM 1628 C LYS B 50 9.608 3.109 -0.683 1.00 0.00 C ATOM 1629 O LYS B 50 8.678 2.357 -0.973 1.00 0.00 O ATOM 1630 CB LYS B 50 10.531 1.966 1.342 1.00 0.00 C ATOM 1631 CG LYS B 50 11.415 2.121 2.568 1.00 0.00 C ATOM 1632 CD LYS B 50 11.459 0.841 3.388 1.00 0.00 C ATOM 1633 CE LYS B 50 11.853 1.119 4.830 1.00 0.00 C ATOM 1634 NZ LYS B 50 11.461 0.005 5.737 1.00 0.00 N ATOM 0 H LYS B 50 8.088 3.278 1.537 1.00 0.00 H new ATOM 0 HA LYS B 50 10.859 4.018 0.796 1.00 0.00 H new ATOM 0 HB2 LYS B 50 9.668 1.352 1.601 1.00 0.00 H new ATOM 0 HB3 LYS B 50 11.084 1.429 0.571 1.00 0.00 H new ATOM 0 HG2 LYS B 50 12.425 2.391 2.258 1.00 0.00 H new ATOM 0 HG3 LYS B 50 11.042 2.938 3.186 1.00 0.00 H new ATOM 0 HD2 LYS B 50 10.483 0.357 3.363 1.00 0.00 H new ATOM 0 HD3 LYS B 50 12.171 0.146 2.942 1.00 0.00 H new ATOM 0 HE2 LYS B 50 12.930 1.273 4.889 1.00 0.00 H new ATOM 0 HE3 LYS B 50 11.380 2.043 5.164 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 11.747 0.233 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 10.430 -0.126 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 11.932 -0.871 5.434 1.00 0.00 H new ATOM 1648 N THR B 51 10.293 3.801 -1.588 1.00 0.00 N ATOM 1649 CA THR B 51 9.990 3.719 -3.013 1.00 0.00 C ATOM 1650 C THR B 51 11.106 2.985 -3.757 1.00 0.00 C ATOM 1651 O THR B 51 12.285 3.296 -3.587 1.00 0.00 O ATOM 1652 CB THR B 51 9.780 5.128 -3.580 1.00 0.00 C ATOM 1653 OG1 THR B 51 8.598 5.702 -3.051 1.00 0.00 O ATOM 1654 CG2 THR B 51 9.667 5.173 -5.091 1.00 0.00 C ATOM 0 H THR B 51 11.065 4.427 -1.359 1.00 0.00 H new ATOM 0 HA THR B 51 9.070 3.150 -3.151 1.00 0.00 H new ATOM 0 HB THR B 51 10.670 5.686 -3.288 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.552 6.648 -3.304 1.00 0.00 H new ATOM 0 HG21 THR B 51 9.520 6.203 -5.414 1.00 0.00 H new ATOM 0 HG22 THR B 51 10.581 4.780 -5.536 1.00 0.00 H new ATOM 0 HG23 THR B 51 8.819 4.568 -5.411 1.00 0.00 H new ATOM 1662 N PHE B 52 10.726 2.010 -4.580 1.00 0.00 N ATOM 1663 CA PHE B 52 11.694 1.229 -5.348 1.00 0.00 C ATOM 1664 C PHE B 52 12.143 1.977 -6.599 1.00 0.00 C ATOM 1665 O PHE B 52 11.348 2.216 -7.507 1.00 0.00 O ATOM 1666 CB PHE B 52 11.095 -0.124 -5.740 1.00 0.00 C ATOM 1667 CG PHE B 52 12.085 -1.062 -6.373 1.00 0.00 C ATOM 1668 CD1 PHE B 52 12.864 -1.900 -5.591 1.00 0.00 C ATOM 1669 CD2 PHE B 52 12.234 -1.106 -7.750 1.00 0.00 C ATOM 1670 CE1 PHE B 52 13.775 -2.763 -6.171 1.00 0.00 C ATOM 1671 CE2 PHE B 52 13.143 -1.966 -8.335 1.00 0.00 C ATOM 1672 CZ PHE B 52 13.915 -2.796 -7.545 1.00 0.00 C ATOM 0 H PHE B 52 9.754 1.742 -4.732 1.00 0.00 H new ATOM 0 HA PHE B 52 12.566 1.067 -4.715 1.00 0.00 H new ATOM 0 HB2 PHE B 52 10.676 -0.597 -4.852 1.00 0.00 H new ATOM 0 HB3 PHE B 52 10.270 0.041 -6.433 1.00 0.00 H new ATOM 0 HD1 PHE B 52 12.758 -1.879 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE B 52 11.633 -0.461 -8.373 1.00 0.00 H new ATOM 0 HE1 PHE B 52 14.377 -3.411 -5.551 1.00 0.00 H new ATOM 0 HE2 PHE B 52 13.250 -1.990 -9.409 1.00 0.00 H new ATOM 0 HZ PHE B 52 14.626 -3.469 -8.001 1.00 0.00 H new ATOM 1682 N THR B 53 13.422 2.331 -6.650 1.00 0.00 N ATOM 1683 CA THR B 53 13.971 3.036 -7.803 1.00 0.00 C ATOM 1684 C THR B 53 14.485 2.042 -8.840 1.00 0.00 C ATOM 1685 O THR B 53 15.328 1.199 -8.536 1.00 0.00 O ATOM 1686 CB THR B 53 15.099 3.975 -7.368 1.00 0.00 C ATOM 1687 OG1 THR B 53 14.630 4.916 -6.418 1.00 0.00 O ATOM 1688 CG2 THR B 53 15.711 4.750 -8.516 1.00 0.00 C ATOM 0 H THR B 53 14.097 2.142 -5.909 1.00 0.00 H new ATOM 0 HA THR B 53 13.176 3.630 -8.253 1.00 0.00 H new ATOM 0 HB THR B 53 15.864 3.327 -6.940 1.00 0.00 H new ATOM 0 HG1 THR B 53 14.288 4.443 -5.631 1.00 0.00 H new ATOM 0 HG21 THR B 53 16.503 5.396 -8.138 1.00 0.00 H new ATOM 0 HG22 THR B 53 16.127 4.054 -9.244 1.00 0.00 H new ATOM 0 HG23 THR B 53 14.944 5.359 -8.994 1.00 0.00 H new ATOM 1696 N VAL B 54 13.969 2.139 -10.062 1.00 0.00 N ATOM 1697 CA VAL B 54 14.380 1.237 -11.134 1.00 0.00 C ATOM 1698 C VAL B 54 15.799 1.546 -11.596 1.00 0.00 C ATOM 1699 O VAL B 54 16.282 2.668 -11.448 1.00 0.00 O ATOM 1700 CB VAL B 54 13.436 1.318 -12.351 1.00 0.00 C ATOM 1701 CG1 VAL B 54 13.640 0.117 -13.260 1.00 0.00 C ATOM 1702 CG2 VAL B 54 11.982 1.416 -11.910 1.00 0.00 C ATOM 0 H VAL B 54 13.269 2.829 -10.334 1.00 0.00 H new ATOM 0 HA VAL B 54 14.337 0.229 -10.721 1.00 0.00 H new ATOM 0 HB VAL B 54 13.678 2.222 -12.909 1.00 0.00 H new ATOM 0 HG11 VAL B 54 12.967 0.189 -14.114 1.00 0.00 H new ATOM 0 HG12 VAL B 54 14.672 0.098 -13.612 1.00 0.00 H new ATOM 0 HG13 VAL B 54 13.428 -0.798 -12.707 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.338 1.472 -12.788 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.720 0.536 -11.323 1.00 0.00 H new ATOM 0 HG23 VAL B 54 11.846 2.311 -11.303 1.00 0.00 H new ATOM 1712 N THR B 55 16.461 0.541 -12.161 1.00 0.00 N ATOM 1713 CA THR B 55 17.824 0.701 -12.650 1.00 0.00 C ATOM 1714 C THR B 55 18.070 -0.177 -13.870 1.00 0.00 C ATOM 1715 O THR B 55 18.224 0.318 -14.986 1.00 0.00 O ATOM 1716 CB THR B 55 18.828 0.359 -11.547 1.00 0.00 C ATOM 1717 OG1 THR B 55 18.604 1.156 -10.399 1.00 0.00 O ATOM 1718 CG2 THR B 55 20.270 0.556 -11.968 1.00 0.00 C ATOM 0 H THR B 55 16.074 -0.394 -12.291 1.00 0.00 H new ATOM 0 HA THR B 55 17.959 1.742 -12.942 1.00 0.00 H new ATOM 0 HB THR B 55 18.670 -0.698 -11.331 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.412 1.164 -9.844 1.00 0.00 H new ATOM 0 HG21 THR B 55 20.930 0.296 -11.140 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.490 -0.084 -12.822 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.429 1.598 -12.245 1.00 0.00 H new ATOM 1726 N GLU B 56 18.102 -1.484 -13.647 1.00 0.00 N ATOM 1727 CA GLU B 56 18.326 -2.442 -14.723 1.00 0.00 C ATOM 1728 C GLU B 56 19.676 -2.206 -15.392 1.00 0.00 C ATOM 1729 O GLU B 56 20.571 -1.638 -14.732 1.00 0.00 O ATOM 1730 CB GLU B 56 17.206 -2.347 -15.762 1.00 0.00 C ATOM 1731 CG GLU B 56 15.812 -2.394 -15.158 1.00 0.00 C ATOM 1732 CD GLU B 56 14.722 -2.205 -16.195 1.00 0.00 C ATOM 1733 OE1 GLU B 56 14.746 -2.919 -17.219 1.00 0.00 O ATOM 1734 OE2 GLU B 56 13.843 -1.342 -15.983 1.00 0.00 O ATOM 1735 OXT GLU B 56 19.828 -2.593 -16.570 1.00 0.00 O ATOM 0 H GLU B 56 17.975 -1.907 -12.727 1.00 0.00 H new ATOM 0 HA GLU B 56 18.326 -3.442 -14.289 1.00 0.00 H new ATOM 0 HB2 GLU B 56 17.319 -1.419 -16.323 1.00 0.00 H new ATOM 0 HB3 GLU B 56 17.312 -3.165 -16.475 1.00 0.00 H new ATOM 0 HG2 GLU B 56 15.669 -3.351 -14.656 1.00 0.00 H new ATOM 0 HG3 GLU B 56 15.723 -1.619 -14.397 1.00 0.00 H new ATOM 1743 N MET C 1 5.387 -0.192 8.388 1.00 0.00 N ATOM 1744 CA MET C 1 5.963 0.680 7.333 1.00 0.00 C ATOM 1745 C MET C 1 5.119 0.641 6.061 1.00 0.00 C ATOM 1746 O MET C 1 4.571 -0.399 5.696 1.00 0.00 O ATOM 1747 CB MET C 1 7.392 0.215 7.042 1.00 0.00 C ATOM 1748 CG MET C 1 8.455 1.019 7.775 1.00 0.00 C ATOM 1749 SD MET C 1 8.479 2.753 7.280 1.00 0.00 S ATOM 1750 CE MET C 1 8.472 2.595 5.495 1.00 0.00 C ATOM 0 H1 MET C 1 5.982 -0.145 9.240 1.00 0.00 H new ATOM 0 H2 MET C 1 4.426 0.131 8.619 1.00 0.00 H new ATOM 0 H3 MET C 1 5.350 -1.173 8.045 1.00 0.00 H new ATOM 0 HA MET C 1 5.971 1.712 7.685 1.00 0.00 H new ATOM 0 HB2 MET C 1 7.487 -0.835 7.319 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.575 0.279 5.969 1.00 0.00 H new ATOM 0 HG2 MET C 1 8.278 0.954 8.849 1.00 0.00 H new ATOM 0 HG3 MET C 1 9.434 0.578 7.586 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.982 3.451 5.052 1.00 0.00 H new ATOM 0 HE2 MET C 1 8.987 1.678 5.209 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.443 2.560 5.137 1.00 0.00 H new ATOM 1762 N GLN C 2 5.036 1.782 5.385 1.00 0.00 N ATOM 1763 CA GLN C 2 4.273 1.881 4.143 1.00 0.00 C ATOM 1764 C GLN C 2 5.190 1.699 2.939 1.00 0.00 C ATOM 1765 O GLN C 2 6.217 2.366 2.823 1.00 0.00 O ATOM 1766 CB GLN C 2 3.537 3.222 4.062 1.00 0.00 C ATOM 1767 CG GLN C 2 4.450 4.433 4.131 1.00 0.00 C ATOM 1768 CD GLN C 2 3.676 5.737 4.198 1.00 0.00 C ATOM 1769 OE1 GLN C 2 3.423 6.376 3.177 1.00 0.00 O ATOM 1770 NE2 GLN C 2 3.294 6.137 5.406 1.00 0.00 N ATOM 0 H GLN C 2 5.486 2.650 5.674 1.00 0.00 H new ATOM 0 HA GLN C 2 3.529 1.085 4.134 1.00 0.00 H new ATOM 0 HB2 GLN C 2 2.972 3.259 3.131 1.00 0.00 H new ATOM 0 HB3 GLN C 2 2.814 3.278 4.876 1.00 0.00 H new ATOM 0 HG2 GLN C 2 5.094 4.350 5.007 1.00 0.00 H new ATOM 0 HG3 GLN C 2 5.101 4.444 3.257 1.00 0.00 H new ATOM 0 HE21 GLN C 2 3.525 5.576 6.226 1.00 0.00 H new ATOM 0 HE22 GLN C 2 2.769 7.005 5.514 1.00 0.00 H new ATOM 1779 N TYR C 3 4.819 0.780 2.049 1.00 0.00 N ATOM 1780 CA TYR C 3 5.623 0.501 0.863 1.00 0.00 C ATOM 1781 C TYR C 3 4.972 1.023 -0.414 1.00 0.00 C ATOM 1782 O TYR C 3 3.793 0.782 -0.676 1.00 0.00 O ATOM 1783 CB TYR C 3 5.882 -0.999 0.740 1.00 0.00 C ATOM 1784 CG TYR C 3 7.008 -1.488 1.623 1.00 0.00 C ATOM 1785 CD1 TYR C 3 8.332 -1.233 1.292 1.00 0.00 C ATOM 1786 CD2 TYR C 3 6.747 -2.200 2.788 1.00 0.00 C ATOM 1787 CE1 TYR C 3 9.366 -1.674 2.094 1.00 0.00 C ATOM 1788 CE2 TYR C 3 7.777 -2.643 3.596 1.00 0.00 C ATOM 1789 CZ TYR C 3 9.084 -2.378 3.245 1.00 0.00 C ATOM 1790 OH TYR C 3 10.112 -2.817 4.048 1.00 0.00 O ATOM 0 H TYR C 3 3.971 0.219 2.127 1.00 0.00 H new ATOM 0 HA TYR C 3 6.570 1.027 0.986 1.00 0.00 H new ATOM 0 HB2 TYR C 3 4.970 -1.540 0.994 1.00 0.00 H new ATOM 0 HB3 TYR C 3 6.115 -1.236 -0.298 1.00 0.00 H new ATOM 0 HD1 TYR C 3 8.557 -0.680 0.392 1.00 0.00 H new ATOM 0 HD2 TYR C 3 5.725 -2.410 3.066 1.00 0.00 H new ATOM 0 HE1 TYR C 3 10.390 -1.468 1.821 1.00 0.00 H new ATOM 0 HE2 TYR C 3 7.559 -3.194 4.499 1.00 0.00 H new ATOM 0 HH TYR C 3 10.532 -3.603 3.641 1.00 0.00 H new ATOM 1800 N LYS C 4 5.769 1.738 -1.204 1.00 0.00 N ATOM 1801 CA LYS C 4 5.309 2.304 -2.465 1.00 0.00 C ATOM 1802 C LYS C 4 5.894 1.541 -3.653 1.00 0.00 C ATOM 1803 O LYS C 4 7.112 1.408 -3.778 1.00 0.00 O ATOM 1804 CB LYS C 4 5.698 3.782 -2.555 1.00 0.00 C ATOM 1805 CG LYS C 4 4.982 4.536 -3.664 1.00 0.00 C ATOM 1806 CD LYS C 4 5.004 6.036 -3.420 1.00 0.00 C ATOM 1807 CE LYS C 4 4.350 6.796 -4.562 1.00 0.00 C ATOM 1808 NZ LYS C 4 4.276 8.258 -4.287 1.00 0.00 N ATOM 0 H LYS C 4 6.745 1.939 -0.988 1.00 0.00 H new ATOM 0 HA LYS C 4 4.223 2.216 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS C 4 5.482 4.264 -1.602 1.00 0.00 H new ATOM 0 HB3 LYS C 4 6.774 3.856 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS C 4 5.455 4.315 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS C 4 3.950 4.192 -3.732 1.00 0.00 H new ATOM 0 HD2 LYS C 4 4.486 6.262 -2.488 1.00 0.00 H new ATOM 0 HD3 LYS C 4 6.034 6.371 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS C 4 4.913 6.627 -5.480 1.00 0.00 H new ATOM 0 HE3 LYS C 4 3.346 6.407 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 3.824 8.740 -5.090 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 3.717 8.421 -3.425 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 5.236 8.635 -4.153 1.00 0.00 H new ATOM 1822 N VAL C 5 5.019 1.042 -4.520 1.00 0.00 N ATOM 1823 CA VAL C 5 5.453 0.294 -5.696 1.00 0.00 C ATOM 1824 C VAL C 5 4.581 0.611 -6.906 1.00 0.00 C ATOM 1825 O VAL C 5 3.358 0.484 -6.852 1.00 0.00 O ATOM 1826 CB VAL C 5 5.429 -1.225 -5.440 1.00 0.00 C ATOM 1827 CG1 VAL C 5 6.065 -1.974 -6.601 1.00 0.00 C ATOM 1828 CG2 VAL C 5 6.138 -1.556 -4.134 1.00 0.00 C ATOM 0 H VAL C 5 4.008 1.141 -4.432 1.00 0.00 H new ATOM 0 HA VAL C 5 6.478 0.602 -5.902 1.00 0.00 H new ATOM 0 HB VAL C 5 4.390 -1.544 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL C 5 6.038 -3.045 -6.401 1.00 0.00 H new ATOM 0 HG12 VAL C 5 5.513 -1.762 -7.517 1.00 0.00 H new ATOM 0 HG13 VAL C 5 7.100 -1.652 -6.718 1.00 0.00 H new ATOM 0 HG21 VAL C 5 6.112 -2.633 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL C 5 7.174 -1.222 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL C 5 5.636 -1.050 -3.309 1.00 0.00 H new ATOM 1838 N ILE C 6 5.218 1.025 -7.999 1.00 0.00 N ATOM 1839 CA ILE C 6 4.500 1.363 -9.222 1.00 0.00 C ATOM 1840 C ILE C 6 4.467 0.186 -10.195 1.00 0.00 C ATOM 1841 O ILE C 6 5.506 -0.257 -10.684 1.00 0.00 O ATOM 1842 CB ILE C 6 5.144 2.575 -9.925 1.00 0.00 C ATOM 1843 CG1 ILE C 6 5.356 3.719 -8.929 1.00 0.00 C ATOM 1844 CG2 ILE C 6 4.284 3.036 -11.092 1.00 0.00 C ATOM 1845 CD1 ILE C 6 6.180 4.861 -9.485 1.00 0.00 C ATOM 0 H ILE C 6 6.230 1.134 -8.061 1.00 0.00 H new ATOM 0 HA ILE C 6 3.480 1.612 -8.930 1.00 0.00 H new ATOM 0 HB ILE C 6 6.115 2.271 -10.315 1.00 0.00 H new ATOM 0 HG12 ILE C 6 4.385 4.102 -8.616 1.00 0.00 H new ATOM 0 HG13 ILE C 6 5.847 3.328 -8.038 1.00 0.00 H new ATOM 0 HG21 ILE C 6 4.755 3.892 -11.575 1.00 0.00 H new ATOM 0 HG22 ILE C 6 4.182 2.224 -11.812 1.00 0.00 H new ATOM 0 HG23 ILE C 6 3.298 3.323 -10.726 1.00 0.00 H new ATOM 0 HD11 ILE C 6 6.289 5.635 -8.725 1.00 0.00 H new ATOM 0 HD12 ILE C 6 7.165 4.493 -9.772 1.00 0.00 H new ATOM 0 HD13 ILE C 6 5.680 5.279 -10.359 1.00 0.00 H new ATOM 1857 N LEU C 7 3.265 -0.303 -10.485 1.00 0.00 N ATOM 1858 CA LEU C 7 3.094 -1.414 -11.416 1.00 0.00 C ATOM 1859 C LEU C 7 2.601 -0.897 -12.763 1.00 0.00 C ATOM 1860 O LEU C 7 1.588 -0.199 -12.834 1.00 0.00 O ATOM 1861 CB LEU C 7 2.119 -2.454 -10.849 1.00 0.00 C ATOM 1862 CG LEU C 7 2.780 -3.688 -10.223 1.00 0.00 C ATOM 1863 CD1 LEU C 7 2.828 -3.558 -8.708 1.00 0.00 C ATOM 1864 CD2 LEU C 7 2.043 -4.959 -10.626 1.00 0.00 C ATOM 0 H LEU C 7 2.395 0.052 -10.089 1.00 0.00 H new ATOM 0 HA LEU C 7 4.060 -1.899 -11.558 1.00 0.00 H new ATOM 0 HB2 LEU C 7 1.496 -1.973 -10.095 1.00 0.00 H new ATOM 0 HB3 LEU C 7 1.456 -2.782 -11.649 1.00 0.00 H new ATOM 0 HG LEU C 7 3.802 -3.753 -10.597 1.00 0.00 H new ATOM 0 HD11 LEU C 7 3.300 -4.443 -8.282 1.00 0.00 H new ATOM 0 HD12 LEU C 7 3.404 -2.673 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU C 7 1.814 -3.465 -8.319 1.00 0.00 H new ATOM 0 HD21 LEU C 7 2.529 -5.822 -10.170 1.00 0.00 H new ATOM 0 HD22 LEU C 7 1.009 -4.904 -10.285 1.00 0.00 H new ATOM 0 HD23 LEU C 7 2.063 -5.062 -11.711 1.00 0.00 H new ATOM 2079 N ASP C 22 1.408 -6.508 -13.862 1.00 0.00 N ATOM 2080 CA ASP C 22 0.047 -6.019 -14.044 1.00 0.00 C ATOM 2081 C ASP C 22 -0.591 -5.673 -12.707 1.00 0.00 C ATOM 2082 O ASP C 22 -0.306 -6.296 -11.684 1.00 0.00 O ATOM 2083 CB ASP C 22 -0.806 -7.057 -14.775 1.00 0.00 C ATOM 2084 CG ASP C 22 -0.804 -6.851 -16.277 1.00 0.00 C ATOM 2085 OD1 ASP C 22 0.154 -6.234 -16.789 1.00 0.00 O ATOM 2086 OD2 ASP C 22 -1.759 -7.304 -16.941 1.00 0.00 O ATOM 0 HA ASP C 22 0.097 -5.114 -14.649 1.00 0.00 H new ATOM 0 HB2 ASP C 22 -0.433 -8.056 -14.547 1.00 0.00 H new ATOM 0 HB3 ASP C 22 -1.830 -7.007 -14.405 1.00 0.00 H new ATOM 2091 N ALA C 23 -1.456 -4.674 -12.729 1.00 0.00 N ATOM 2092 CA ALA C 23 -2.151 -4.225 -11.535 1.00 0.00 C ATOM 2093 C ALA C 23 -2.841 -5.390 -10.827 1.00 0.00 C ATOM 2094 O ALA C 23 -2.779 -5.509 -9.603 1.00 0.00 O ATOM 2095 CB ALA C 23 -3.150 -3.151 -11.921 1.00 0.00 C ATOM 0 H ALA C 23 -1.696 -4.153 -13.572 1.00 0.00 H new ATOM 0 HA ALA C 23 -1.428 -3.809 -10.833 1.00 0.00 H new ATOM 0 HB1 ALA C 23 -3.677 -2.807 -11.031 1.00 0.00 H new ATOM 0 HB2 ALA C 23 -2.624 -2.312 -12.378 1.00 0.00 H new ATOM 0 HB3 ALA C 23 -3.868 -3.560 -12.632 1.00 0.00 H new ATOM 2101 N ALA C 24 -3.487 -6.253 -11.606 1.00 0.00 N ATOM 2102 CA ALA C 24 -4.177 -7.419 -11.060 1.00 0.00 C ATOM 2103 C ALA C 24 -3.182 -8.420 -10.481 1.00 0.00 C ATOM 2104 O ALA C 24 -3.473 -9.103 -9.497 1.00 0.00 O ATOM 2105 CB ALA C 24 -5.027 -8.078 -12.135 1.00 0.00 C ATOM 0 H ALA C 24 -3.547 -6.167 -12.621 1.00 0.00 H new ATOM 0 HA ALA C 24 -4.828 -7.084 -10.253 1.00 0.00 H new ATOM 0 HB1 ALA C 24 -5.536 -8.946 -11.715 1.00 0.00 H new ATOM 0 HB2 ALA C 24 -5.766 -7.366 -12.502 1.00 0.00 H new ATOM 0 HB3 ALA C 24 -4.389 -8.395 -12.960 1.00 0.00 H new ATOM 2111 N THR C 25 -2.005 -8.497 -11.096 1.00 0.00 N ATOM 2112 CA THR C 25 -0.959 -9.410 -10.649 1.00 0.00 C ATOM 2113 C THR C 25 -0.508 -9.044 -9.238 1.00 0.00 C ATOM 2114 O THR C 25 -0.257 -9.917 -8.408 1.00 0.00 O ATOM 2115 CB THR C 25 0.222 -9.367 -11.628 1.00 0.00 C ATOM 2116 OG1 THR C 25 -0.121 -9.999 -12.849 1.00 0.00 O ATOM 2117 CG2 THR C 25 1.482 -10.033 -11.111 1.00 0.00 C ATOM 0 H THR C 25 -1.752 -7.935 -11.909 1.00 0.00 H new ATOM 0 HA THR C 25 -1.354 -10.426 -10.627 1.00 0.00 H new ATOM 0 HB THR C 25 0.432 -8.306 -11.764 1.00 0.00 H new ATOM 0 HG1 THR C 25 0.642 -9.961 -13.463 1.00 0.00 H new ATOM 0 HG21 THR C 25 2.268 -9.959 -11.863 1.00 0.00 H new ATOM 0 HG22 THR C 25 1.807 -9.537 -10.196 1.00 0.00 H new ATOM 0 HG23 THR C 25 1.279 -11.083 -10.901 1.00 0.00 H new ATOM 2125 N PHE C 26 -0.423 -7.745 -8.973 1.00 0.00 N ATOM 2126 CA PHE C 26 -0.022 -7.257 -7.659 1.00 0.00 C ATOM 2127 C PHE C 26 -1.045 -7.656 -6.597 1.00 0.00 C ATOM 2128 O PHE C 26 -0.691 -8.207 -5.555 1.00 0.00 O ATOM 2129 CB PHE C 26 0.141 -5.736 -7.679 1.00 0.00 C ATOM 2130 CG PHE C 26 0.696 -5.178 -6.401 1.00 0.00 C ATOM 2131 CD1 PHE C 26 2.048 -5.282 -6.113 1.00 0.00 C ATOM 2132 CD2 PHE C 26 -0.134 -4.551 -5.485 1.00 0.00 C ATOM 2133 CE1 PHE C 26 2.562 -4.771 -4.936 1.00 0.00 C ATOM 2134 CE2 PHE C 26 0.374 -4.037 -4.307 1.00 0.00 C ATOM 2135 CZ PHE C 26 1.724 -4.147 -4.031 1.00 0.00 C ATOM 0 H PHE C 26 -0.627 -7.011 -9.651 1.00 0.00 H new ATOM 0 HA PHE C 26 0.936 -7.712 -7.408 1.00 0.00 H new ATOM 0 HB2 PHE C 26 0.799 -5.460 -8.503 1.00 0.00 H new ATOM 0 HB3 PHE C 26 -0.828 -5.277 -7.877 1.00 0.00 H new ATOM 0 HD1 PHE C 26 2.708 -5.768 -6.817 1.00 0.00 H new ATOM 0 HD2 PHE C 26 -1.190 -4.463 -5.694 1.00 0.00 H new ATOM 0 HE1 PHE C 26 3.617 -4.859 -4.724 1.00 0.00 H new ATOM 0 HE2 PHE C 26 -0.283 -3.550 -3.602 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.123 -3.746 -3.111 1.00 0.00 H new ATOM 2145 N GLU C 27 -2.312 -7.361 -6.868 1.00 0.00 N ATOM 2146 CA GLU C 27 -3.394 -7.672 -5.938 1.00 0.00 C ATOM 2147 C GLU C 27 -3.423 -9.156 -5.576 1.00 0.00 C ATOM 2148 O GLU C 27 -3.514 -9.515 -4.402 1.00 0.00 O ATOM 2149 CB GLU C 27 -4.740 -7.262 -6.539 1.00 0.00 C ATOM 2150 CG GLU C 27 -4.872 -5.766 -6.773 1.00 0.00 C ATOM 2151 CD GLU C 27 -6.088 -5.413 -7.607 1.00 0.00 C ATOM 2152 OE1 GLU C 27 -6.312 -6.074 -8.642 1.00 0.00 O ATOM 2153 OE2 GLU C 27 -6.818 -4.474 -7.222 1.00 0.00 O ATOM 0 H GLU C 27 -2.617 -6.905 -7.728 1.00 0.00 H new ATOM 0 HA GLU C 27 -3.212 -7.107 -5.024 1.00 0.00 H new ATOM 0 HB2 GLU C 27 -4.879 -7.783 -7.486 1.00 0.00 H new ATOM 0 HB3 GLU C 27 -5.540 -7.589 -5.875 1.00 0.00 H new ATOM 0 HG2 GLU C 27 -4.934 -5.255 -5.812 1.00 0.00 H new ATOM 0 HG3 GLU C 27 -3.975 -5.399 -7.271 1.00 0.00 H new ATOM 2160 N LYS C 28 -3.375 -10.013 -6.590 1.00 0.00 N ATOM 2161 CA LYS C 28 -3.429 -11.457 -6.376 1.00 0.00 C ATOM 2162 C LYS C 28 -2.180 -11.989 -5.670 1.00 0.00 C ATOM 2163 O LYS C 28 -2.287 -12.741 -4.701 1.00 0.00 O ATOM 2164 CB LYS C 28 -3.612 -12.180 -7.711 1.00 0.00 C ATOM 2165 CG LYS C 28 -3.902 -13.665 -7.565 1.00 0.00 C ATOM 2166 CD LYS C 28 -4.085 -14.333 -8.918 1.00 0.00 C ATOM 2167 CE LYS C 28 -5.541 -14.317 -9.354 1.00 0.00 C ATOM 2168 NZ LYS C 28 -6.354 -15.323 -8.616 1.00 0.00 N ATOM 0 H LYS C 28 -3.299 -9.734 -7.568 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.282 -11.653 -5.727 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -4.429 -11.711 -8.259 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -2.711 -12.052 -8.311 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -3.084 -14.145 -7.029 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -4.801 -13.804 -6.965 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -3.475 -13.822 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -3.730 -15.362 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -5.958 -13.323 -9.190 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -5.602 -14.516 -10.424 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -7.294 -15.400 -9.055 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -5.879 -16.247 -8.652 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -6.458 -15.025 -7.625 1.00 0.00 H new ATOM 2182 N VAL C 29 -1.002 -11.605 -6.152 1.00 0.00 N ATOM 2183 CA VAL C 29 0.253 -12.059 -5.552 1.00 0.00 C ATOM 2184 C VAL C 29 0.424 -11.551 -4.122 1.00 0.00 C ATOM 2185 O VAL C 29 0.851 -12.293 -3.239 1.00 0.00 O ATOM 2186 CB VAL C 29 1.470 -11.610 -6.386 1.00 0.00 C ATOM 2187 CG1 VAL C 29 2.769 -12.097 -5.755 1.00 0.00 C ATOM 2188 CG2 VAL C 29 1.347 -12.104 -7.819 1.00 0.00 C ATOM 0 H VAL C 29 -0.888 -10.983 -6.953 1.00 0.00 H new ATOM 0 HA VAL C 29 0.202 -13.148 -5.535 1.00 0.00 H new ATOM 0 HB VAL C 29 1.491 -10.520 -6.401 1.00 0.00 H new ATOM 0 HG11 VAL C 29 3.613 -11.768 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL C 29 2.862 -11.686 -4.750 1.00 0.00 H new ATOM 0 HG13 VAL C 29 2.762 -13.186 -5.703 1.00 0.00 H new ATOM 0 HG21 VAL C 29 2.215 -11.777 -8.392 1.00 0.00 H new ATOM 0 HG22 VAL C 29 1.297 -13.193 -7.825 1.00 0.00 H new ATOM 0 HG23 VAL C 29 0.441 -11.696 -8.268 1.00 0.00 H new ATOM 2198 N VAL C 30 0.107 -10.280 -3.910 1.00 0.00 N ATOM 2199 CA VAL C 30 0.247 -9.669 -2.592 1.00 0.00 C ATOM 2200 C VAL C 30 -0.757 -10.241 -1.597 1.00 0.00 C ATOM 2201 O VAL C 30 -0.406 -10.536 -0.456 1.00 0.00 O ATOM 2202 CB VAL C 30 0.101 -8.133 -2.667 1.00 0.00 C ATOM 2203 CG1 VAL C 30 0.257 -7.500 -1.291 1.00 0.00 C ATOM 2204 CG2 VAL C 30 1.122 -7.557 -3.636 1.00 0.00 C ATOM 0 H VAL C 30 -0.248 -9.652 -4.631 1.00 0.00 H new ATOM 0 HA VAL C 30 1.250 -9.906 -2.238 1.00 0.00 H new ATOM 0 HB VAL C 30 -0.900 -7.902 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.150 -6.418 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.510 -7.891 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL C 30 1.243 -7.737 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL C 30 1.010 -6.474 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL C 30 2.127 -7.804 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL C 30 0.961 -7.980 -4.628 1.00 0.00 H new ATOM 2214 N LYS C 31 -2.003 -10.403 -2.025 1.00 0.00 N ATOM 2215 CA LYS C 31 -3.032 -10.951 -1.151 1.00 0.00 C ATOM 2216 C LYS C 31 -2.730 -12.406 -0.806 1.00 0.00 C ATOM 2217 O LYS C 31 -2.830 -12.815 0.350 1.00 0.00 O ATOM 2218 CB LYS C 31 -4.406 -10.850 -1.815 1.00 0.00 C ATOM 2219 CG LYS C 31 -5.554 -11.241 -0.897 1.00 0.00 C ATOM 2220 CD LYS C 31 -6.751 -11.748 -1.683 1.00 0.00 C ATOM 2221 CE LYS C 31 -7.820 -12.317 -0.764 1.00 0.00 C ATOM 2222 NZ LYS C 31 -8.786 -13.177 -1.501 1.00 0.00 N ATOM 0 H LYS C 31 -2.323 -10.165 -2.964 1.00 0.00 H new ATOM 0 HA LYS C 31 -3.039 -10.368 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS C 31 -4.560 -9.828 -2.160 1.00 0.00 H new ATOM 0 HB3 LYS C 31 -4.422 -11.490 -2.697 1.00 0.00 H new ATOM 0 HG2 LYS C 31 -5.220 -12.013 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS C 31 -5.850 -10.381 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS C 31 -7.172 -10.933 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS C 31 -6.427 -12.516 -2.386 1.00 0.00 H new ATOM 0 HE2 LYS C 31 -7.347 -12.899 0.027 1.00 0.00 H new ATOM 0 HE3 LYS C 31 -8.356 -11.500 -0.282 1.00 0.00 H new ATOM 0 HZ1 LYS C 31 -9.498 -13.545 -0.839 1.00 0.00 H new ATOM 0 HZ2 LYS C 31 -9.257 -12.616 -2.239 1.00 0.00 H new ATOM 0 HZ3 LYS C 31 -8.279 -13.971 -1.940 1.00 0.00 H new ATOM 2236 N GLN C 32 -2.347 -13.180 -1.814 1.00 0.00 N ATOM 2237 CA GLN C 32 -2.020 -14.587 -1.618 1.00 0.00 C ATOM 2238 C GLN C 32 -0.783 -14.752 -0.738 1.00 0.00 C ATOM 2239 O GLN C 32 -0.744 -15.618 0.136 1.00 0.00 O ATOM 2240 CB GLN C 32 -1.797 -15.279 -2.963 1.00 0.00 C ATOM 2241 CG GLN C 32 -1.594 -16.780 -2.846 1.00 0.00 C ATOM 2242 CD GLN C 32 -2.896 -17.552 -2.936 1.00 0.00 C ATOM 2243 OE1 GLN C 32 -3.853 -17.108 -3.569 1.00 0.00 O ATOM 2244 NE2 GLN C 32 -2.937 -18.718 -2.300 1.00 0.00 N ATOM 0 H GLN C 32 -2.255 -12.857 -2.777 1.00 0.00 H new ATOM 0 HA GLN C 32 -2.865 -15.054 -1.112 1.00 0.00 H new ATOM 0 HB2 GLN C 32 -2.654 -15.085 -3.609 1.00 0.00 H new ATOM 0 HB3 GLN C 32 -0.926 -14.839 -3.449 1.00 0.00 H new ATOM 0 HG2 GLN C 32 -0.922 -17.115 -3.636 1.00 0.00 H new ATOM 0 HG3 GLN C 32 -1.107 -17.004 -1.897 1.00 0.00 H new ATOM 0 HE21 GLN C 32 -2.120 -19.048 -1.787 1.00 0.00 H new ATOM 0 HE22 GLN C 32 -3.786 -19.283 -2.325 1.00 0.00 H new ATOM 2253 N PHE C 33 0.222 -13.910 -0.966 1.00 0.00 N ATOM 2254 CA PHE C 33 1.462 -13.937 -0.199 1.00 0.00 C ATOM 2255 C PHE C 33 1.281 -13.497 1.254 1.00 0.00 C ATOM 2256 O PHE C 33 1.748 -14.172 2.171 1.00 0.00 O ATOM 2257 CB PHE C 33 2.511 -13.099 -0.951 1.00 0.00 C ATOM 2258 CG PHE C 33 3.632 -12.532 -0.123 1.00 0.00 C ATOM 2259 CD1 PHE C 33 4.471 -13.332 0.637 1.00 0.00 C ATOM 2260 CD2 PHE C 33 3.860 -11.165 -0.149 1.00 0.00 C ATOM 2261 CE1 PHE C 33 5.510 -12.770 1.364 1.00 0.00 C ATOM 2262 CE2 PHE C 33 4.890 -10.600 0.573 1.00 0.00 C ATOM 2263 CZ PHE C 33 5.717 -11.402 1.331 1.00 0.00 C ATOM 0 H PHE C 33 0.198 -13.190 -1.688 1.00 0.00 H new ATOM 0 HA PHE C 33 1.810 -14.967 -0.121 1.00 0.00 H new ATOM 0 HB2 PHE C 33 2.945 -13.719 -1.735 1.00 0.00 H new ATOM 0 HB3 PHE C 33 1.999 -12.273 -1.444 1.00 0.00 H new ATOM 0 HD1 PHE C 33 4.315 -14.400 0.663 1.00 0.00 H new ATOM 0 HD2 PHE C 33 3.220 -10.531 -0.745 1.00 0.00 H new ATOM 0 HE1 PHE C 33 6.157 -13.400 1.956 1.00 0.00 H new ATOM 0 HE2 PHE C 33 5.049 -9.532 0.545 1.00 0.00 H new ATOM 0 HZ PHE C 33 6.525 -10.963 1.898 1.00 0.00 H new ATOM 2273 N PHE C 34 0.620 -12.369 1.466 1.00 0.00 N ATOM 2274 CA PHE C 34 0.408 -11.864 2.818 1.00 0.00 C ATOM 2275 C PHE C 34 -0.710 -12.608 3.564 1.00 0.00 C ATOM 2276 O PHE C 34 -0.648 -12.752 4.785 1.00 0.00 O ATOM 2277 CB PHE C 34 0.181 -10.354 2.799 1.00 0.00 C ATOM 2278 CG PHE C 34 1.475 -9.603 2.642 1.00 0.00 C ATOM 2279 CD1 PHE C 34 2.500 -9.783 3.558 1.00 0.00 C ATOM 2280 CD2 PHE C 34 1.684 -8.748 1.569 1.00 0.00 C ATOM 2281 CE1 PHE C 34 3.705 -9.122 3.415 1.00 0.00 C ATOM 2282 CE2 PHE C 34 2.891 -8.086 1.419 1.00 0.00 C ATOM 2283 CZ PHE C 34 3.902 -8.274 2.344 1.00 0.00 C ATOM 0 H PHE C 34 0.223 -11.788 0.727 1.00 0.00 H new ATOM 0 HA PHE C 34 1.319 -12.061 3.383 1.00 0.00 H new ATOM 0 HB2 PHE C 34 -0.492 -10.097 1.981 1.00 0.00 H new ATOM 0 HB3 PHE C 34 -0.309 -10.047 3.723 1.00 0.00 H new ATOM 0 HD1 PHE C 34 2.355 -10.449 4.395 1.00 0.00 H new ATOM 0 HD2 PHE C 34 0.898 -8.597 0.844 1.00 0.00 H new ATOM 0 HE1 PHE C 34 4.492 -9.269 4.140 1.00 0.00 H new ATOM 0 HE2 PHE C 34 3.043 -7.423 0.580 1.00 0.00 H new ATOM 0 HZ PHE C 34 4.844 -7.758 2.228 1.00 0.00 H new ATOM 2293 N ASN C 35 -1.719 -13.101 2.844 1.00 0.00 N ATOM 2294 CA ASN C 35 -2.809 -13.845 3.488 1.00 0.00 C ATOM 2295 C ASN C 35 -2.264 -15.020 4.307 1.00 0.00 C ATOM 2296 O ASN C 35 -2.866 -15.435 5.297 1.00 0.00 O ATOM 2297 CB ASN C 35 -3.833 -14.344 2.457 1.00 0.00 C ATOM 2298 CG ASN C 35 -4.864 -13.291 2.066 1.00 0.00 C ATOM 2299 OD1 ASN C 35 -5.997 -13.627 1.722 1.00 0.00 O ATOM 2300 ND2 ASN C 35 -4.489 -12.018 2.119 1.00 0.00 N ATOM 0 H ASN C 35 -1.807 -13.003 1.833 1.00 0.00 H new ATOM 0 HA ASN C 35 -3.316 -13.157 4.164 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -3.305 -14.674 1.562 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -4.350 -15.214 2.861 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -5.149 -11.281 1.870 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -3.541 -11.777 2.409 1.00 0.00 H new ATOM 2307 N ASP C 36 -1.116 -15.539 3.887 1.00 0.00 N ATOM 2308 CA ASP C 36 -0.456 -16.656 4.566 1.00 0.00 C ATOM 2309 C ASP C 36 -0.082 -16.312 6.013 1.00 0.00 C ATOM 2310 O ASP C 36 0.192 -17.201 6.821 1.00 0.00 O ATOM 2311 CB ASP C 36 0.791 -17.087 3.791 1.00 0.00 C ATOM 2312 CG ASP C 36 0.470 -17.507 2.369 1.00 0.00 C ATOM 2313 OD1 ASP C 36 -0.616 -18.086 2.151 1.00 0.00 O ATOM 2314 OD2 ASP C 36 1.305 -17.257 1.474 1.00 0.00 O ATOM 0 H ASP C 36 -0.614 -15.200 3.067 1.00 0.00 H new ATOM 0 HA ASP C 36 -1.167 -17.481 4.597 1.00 0.00 H new ATOM 0 HB2 ASP C 36 1.506 -16.265 3.772 1.00 0.00 H new ATOM 0 HB3 ASP C 36 1.272 -17.915 4.312 1.00 0.00 H new ATOM 2319 N ASN C 37 -0.058 -15.019 6.331 1.00 0.00 N ATOM 2320 CA ASN C 37 0.295 -14.575 7.681 1.00 0.00 C ATOM 2321 C ASN C 37 -0.931 -14.126 8.480 1.00 0.00 C ATOM 2322 O ASN C 37 -0.865 -14.007 9.704 1.00 0.00 O ATOM 2323 CB ASN C 37 1.340 -13.454 7.631 1.00 0.00 C ATOM 2324 CG ASN C 37 0.770 -12.133 7.157 1.00 0.00 C ATOM 2325 OD1 ASN C 37 -0.115 -11.561 7.794 1.00 0.00 O ATOM 2326 ND2 ASN C 37 1.280 -11.642 6.035 1.00 0.00 N ATOM 0 H ASN C 37 -0.276 -14.265 5.680 1.00 0.00 H new ATOM 0 HA ASN C 37 0.724 -15.434 8.196 1.00 0.00 H new ATOM 0 HB2 ASN C 37 1.771 -13.322 8.624 1.00 0.00 H new ATOM 0 HB3 ASN C 37 2.152 -13.752 6.968 1.00 0.00 H new ATOM 0 HD21 ASN C 37 0.940 -10.754 5.666 1.00 0.00 H new ATOM 0 HD22 ASN C 37 2.013 -12.152 5.542 1.00 0.00 H new ATOM 2333 N GLY C 38 -2.051 -13.890 7.798 1.00 0.00 N ATOM 2334 CA GLY C 38 -3.260 -13.476 8.493 1.00 0.00 C ATOM 2335 C GLY C 38 -3.872 -12.197 7.944 1.00 0.00 C ATOM 2336 O GLY C 38 -4.702 -11.571 8.605 1.00 0.00 O ATOM 0 H GLY C 38 -2.143 -13.977 6.786 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -3.997 -14.277 8.431 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -3.031 -13.335 9.549 1.00 0.00 H new ATOM 2340 N VAL C 39 -3.473 -11.804 6.738 1.00 0.00 N ATOM 2341 CA VAL C 39 -4.004 -10.589 6.122 1.00 0.00 C ATOM 2342 C VAL C 39 -5.259 -10.891 5.307 1.00 0.00 C ATOM 2343 O VAL C 39 -5.359 -11.937 4.667 1.00 0.00 O ATOM 2344 CB VAL C 39 -2.965 -9.912 5.207 1.00 0.00 C ATOM 2345 CG1 VAL C 39 -3.464 -8.549 4.747 1.00 0.00 C ATOM 2346 CG2 VAL C 39 -1.630 -9.784 5.921 1.00 0.00 C ATOM 0 H VAL C 39 -2.789 -12.304 6.170 1.00 0.00 H new ATOM 0 HA VAL C 39 -4.252 -9.909 6.937 1.00 0.00 H new ATOM 0 HB VAL C 39 -2.822 -10.537 4.326 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -2.717 -8.087 4.102 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -4.396 -8.670 4.194 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -3.637 -7.913 5.615 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -0.908 -9.304 5.260 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -1.755 -9.182 6.821 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -1.268 -10.775 6.195 1.00 0.00 H new ATOM 2356 N ASP C 40 -6.215 -9.967 5.339 1.00 0.00 N ATOM 2357 CA ASP C 40 -7.464 -10.139 4.604 1.00 0.00 C ATOM 2358 C ASP C 40 -8.113 -8.794 4.298 1.00 0.00 C ATOM 2359 O ASP C 40 -7.582 -7.740 4.649 1.00 0.00 O ATOM 2360 CB ASP C 40 -8.431 -11.016 5.401 1.00 0.00 C ATOM 2361 CG ASP C 40 -8.086 -12.489 5.310 1.00 0.00 C ATOM 2362 OD1 ASP C 40 -7.267 -12.959 6.127 1.00 0.00 O ATOM 2363 OD2 ASP C 40 -8.637 -13.173 4.421 1.00 0.00 O ATOM 0 H ASP C 40 -6.149 -9.095 5.864 1.00 0.00 H new ATOM 0 HA ASP C 40 -7.232 -10.629 3.658 1.00 0.00 H new ATOM 0 HB2 ASP C 40 -8.420 -10.707 6.446 1.00 0.00 H new ATOM 0 HB3 ASP C 40 -9.445 -10.860 5.034 1.00 0.00 H new ATOM 2368 N GLY C 41 -9.268 -8.841 3.639 1.00 0.00 N ATOM 2369 CA GLY C 41 -9.976 -7.623 3.290 1.00 0.00 C ATOM 2370 C GLY C 41 -10.133 -7.461 1.791 1.00 0.00 C ATOM 2371 O GLY C 41 -10.319 -8.443 1.070 1.00 0.00 O ATOM 0 H GLY C 41 -9.726 -9.702 3.341 1.00 0.00 H new ATOM 0 HA2 GLY C 41 -10.960 -7.630 3.758 1.00 0.00 H new ATOM 0 HA3 GLY C 41 -9.438 -6.764 3.692 1.00 0.00 H new ATOM 2375 N GLU C 42 -10.057 -6.222 1.318 1.00 0.00 N ATOM 2376 CA GLU C 42 -10.190 -5.939 -0.106 1.00 0.00 C ATOM 2377 C GLU C 42 -9.393 -4.697 -0.490 1.00 0.00 C ATOM 2378 O GLU C 42 -9.099 -3.851 0.356 1.00 0.00 O ATOM 2379 CB GLU C 42 -11.663 -5.756 -0.478 1.00 0.00 C ATOM 2380 CG GLU C 42 -12.498 -7.010 -0.283 1.00 0.00 C ATOM 2381 CD GLU C 42 -13.744 -7.023 -1.146 1.00 0.00 C ATOM 2382 OE1 GLU C 42 -14.681 -6.254 -0.848 1.00 0.00 O ATOM 2383 OE2 GLU C 42 -13.782 -7.802 -2.122 1.00 0.00 O ATOM 0 H GLU C 42 -9.904 -5.398 1.900 1.00 0.00 H new ATOM 0 HA GLU C 42 -9.790 -6.789 -0.659 1.00 0.00 H new ATOM 0 HB2 GLU C 42 -12.084 -4.951 0.125 1.00 0.00 H new ATOM 0 HB3 GLU C 42 -11.730 -5.443 -1.520 1.00 0.00 H new ATOM 0 HG2 GLU C 42 -11.891 -7.885 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU C 42 -12.786 -7.090 0.765 1.00 0.00 H new ATOM 2390 N TRP C 43 -9.048 -4.592 -1.768 1.00 0.00 N ATOM 2391 CA TRP C 43 -8.286 -3.452 -2.262 1.00 0.00 C ATOM 2392 C TRP C 43 -9.158 -2.209 -2.350 1.00 0.00 C ATOM 2393 O TRP C 43 -10.119 -2.161 -3.119 1.00 0.00 O ATOM 2394 CB TRP C 43 -7.671 -3.768 -3.624 1.00 0.00 C ATOM 2395 CG TRP C 43 -6.534 -4.739 -3.543 1.00 0.00 C ATOM 2396 CD1 TRP C 43 -6.578 -6.077 -3.805 1.00 0.00 C ATOM 2397 CD2 TRP C 43 -5.182 -4.447 -3.164 1.00 0.00 C ATOM 2398 NE1 TRP C 43 -5.337 -6.637 -3.616 1.00 0.00 N ATOM 2399 CE2 TRP C 43 -4.464 -5.657 -3.221 1.00 0.00 C ATOM 2400 CE3 TRP C 43 -4.510 -3.282 -2.783 1.00 0.00 C ATOM 2401 CZ2 TRP C 43 -3.108 -5.733 -2.913 1.00 0.00 C ATOM 2402 CZ3 TRP C 43 -3.164 -3.360 -2.476 1.00 0.00 C ATOM 2403 CH2 TRP C 43 -2.476 -4.577 -2.544 1.00 0.00 C ATOM 0 H TRP C 43 -9.284 -5.283 -2.481 1.00 0.00 H new ATOM 0 HA TRP C 43 -7.482 -3.253 -1.554 1.00 0.00 H new ATOM 0 HB2 TRP C 43 -8.442 -4.174 -4.279 1.00 0.00 H new ATOM 0 HB3 TRP C 43 -7.319 -2.843 -4.081 1.00 0.00 H new ATOM 0 HD1 TRP C 43 -7.460 -6.618 -4.116 1.00 0.00 H new ATOM 0 HE1 TRP C 43 -5.104 -7.621 -3.748 1.00 0.00 H new ATOM 0 HE3 TRP C 43 -5.032 -2.338 -2.729 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 -2.574 -6.671 -2.964 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 -2.635 -2.467 -2.179 1.00 0.00 H new ATOM 0 HH2 TRP C 43 -1.424 -4.604 -2.300 1.00 0.00 H new ATOM 2414 N THR C 44 -8.810 -1.205 -1.558 1.00 0.00 N ATOM 2415 CA THR C 44 -9.552 0.044 -1.539 1.00 0.00 C ATOM 2416 C THR C 44 -8.729 1.164 -2.160 1.00 0.00 C ATOM 2417 O THR C 44 -7.520 1.256 -1.953 1.00 0.00 O ATOM 2418 CB THR C 44 -9.942 0.410 -0.106 1.00 0.00 C ATOM 2419 OG1 THR C 44 -8.792 0.695 0.670 1.00 0.00 O ATOM 2420 CG2 THR C 44 -10.714 -0.683 0.601 1.00 0.00 C ATOM 0 H THR C 44 -8.016 -1.233 -0.919 1.00 0.00 H new ATOM 0 HA THR C 44 -10.460 -0.088 -2.127 1.00 0.00 H new ATOM 0 HB THR C 44 -10.584 1.286 -0.196 1.00 0.00 H new ATOM 0 HG1 THR C 44 -8.006 0.284 0.253 1.00 0.00 H new ATOM 0 HG21 THR C 44 -10.959 -0.359 1.612 1.00 0.00 H new ATOM 0 HG22 THR C 44 -11.633 -0.892 0.054 1.00 0.00 H new ATOM 0 HG23 THR C 44 -10.106 -1.587 0.647 1.00 0.00 H new ATOM 2428 N TYR C 45 -9.404 2.018 -2.913 1.00 0.00 N ATOM 2429 CA TYR C 45 -8.753 3.148 -3.565 1.00 0.00 C ATOM 2430 C TYR C 45 -8.362 4.209 -2.543 1.00 0.00 C ATOM 2431 O TYR C 45 -9.089 4.455 -1.581 1.00 0.00 O ATOM 2432 CB TYR C 45 -9.669 3.751 -4.631 1.00 0.00 C ATOM 2433 CG TYR C 45 -9.661 2.986 -5.934 1.00 0.00 C ATOM 2434 CD1 TYR C 45 -8.688 3.230 -6.897 1.00 0.00 C ATOM 2435 CD2 TYR C 45 -10.622 2.018 -6.204 1.00 0.00 C ATOM 2436 CE1 TYR C 45 -8.674 2.533 -8.090 1.00 0.00 C ATOM 2437 CE2 TYR C 45 -10.612 1.316 -7.395 1.00 0.00 C ATOM 2438 CZ TYR C 45 -9.638 1.578 -8.334 1.00 0.00 C ATOM 2439 OH TYR C 45 -9.626 0.881 -9.521 1.00 0.00 O ATOM 0 H TYR C 45 -10.406 1.951 -3.089 1.00 0.00 H new ATOM 0 HA TYR C 45 -7.846 2.785 -4.049 1.00 0.00 H new ATOM 0 HB2 TYR C 45 -10.688 3.786 -4.246 1.00 0.00 H new ATOM 0 HB3 TYR C 45 -9.364 4.780 -4.821 1.00 0.00 H new ATOM 0 HD1 TYR C 45 -7.931 3.977 -6.709 1.00 0.00 H new ATOM 0 HD2 TYR C 45 -11.388 1.811 -5.472 1.00 0.00 H new ATOM 0 HE1 TYR C 45 -7.912 2.735 -8.828 1.00 0.00 H new ATOM 0 HE2 TYR C 45 -11.364 0.566 -7.589 1.00 0.00 H new ATOM 0 HH TYR C 45 -10.372 0.245 -9.534 1.00 0.00 H new ATOM 2449 N ASP C 46 -7.206 4.831 -2.753 1.00 0.00 N ATOM 2450 CA ASP C 46 -6.715 5.863 -1.845 1.00 0.00 C ATOM 2451 C ASP C 46 -7.529 7.145 -1.988 1.00 0.00 C ATOM 2452 O ASP C 46 -8.194 7.361 -3.000 1.00 0.00 O ATOM 2453 CB ASP C 46 -5.244 6.170 -2.133 1.00 0.00 C ATOM 2454 CG ASP C 46 -4.329 5.006 -1.814 1.00 0.00 C ATOM 2455 OD1 ASP C 46 -4.628 3.877 -2.252 1.00 0.00 O ATOM 2456 OD2 ASP C 46 -3.308 5.227 -1.127 1.00 0.00 O ATOM 0 H ASP C 46 -6.591 4.639 -3.544 1.00 0.00 H new ATOM 0 HA ASP C 46 -6.818 5.487 -0.827 1.00 0.00 H new ATOM 0 HB2 ASP C 46 -5.132 6.437 -3.184 1.00 0.00 H new ATOM 0 HB3 ASP C 46 -4.937 7.038 -1.549 1.00 0.00 H new ATOM 2461 N ASP C 47 -7.467 7.995 -0.968 1.00 0.00 N ATOM 2462 CA ASP C 47 -8.195 9.260 -0.985 1.00 0.00 C ATOM 2463 C ASP C 47 -7.630 10.187 -2.058 1.00 0.00 C ATOM 2464 O ASP C 47 -6.414 10.328 -2.194 1.00 0.00 O ATOM 2465 CB ASP C 47 -8.118 9.937 0.385 1.00 0.00 C ATOM 2466 CG ASP C 47 -9.241 9.508 1.308 1.00 0.00 C ATOM 2467 OD1 ASP C 47 -9.165 8.386 1.852 1.00 0.00 O ATOM 2468 OD2 ASP C 47 -10.196 10.292 1.487 1.00 0.00 O ATOM 0 H ASP C 47 -6.922 7.832 -0.121 1.00 0.00 H new ATOM 0 HA ASP C 47 -9.240 9.052 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP C 47 -7.160 9.702 0.850 1.00 0.00 H new ATOM 0 HB3 ASP C 47 -8.152 11.019 0.255 1.00 0.00 H new ATOM 2473 N ALA C 48 -8.520 10.806 -2.828 1.00 0.00 N ATOM 2474 CA ALA C 48 -8.115 11.706 -3.902 1.00 0.00 C ATOM 2475 C ALA C 48 -7.201 12.820 -3.399 1.00 0.00 C ATOM 2476 O ALA C 48 -7.408 13.370 -2.317 1.00 0.00 O ATOM 2477 CB ALA C 48 -9.342 12.299 -4.578 1.00 0.00 C ATOM 0 H ALA C 48 -9.529 10.700 -2.727 1.00 0.00 H new ATOM 0 HA ALA C 48 -7.549 11.120 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -9.028 12.969 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.951 11.497 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -9.927 12.856 -3.846 1.00 0.00 H new ATOM 2483 N THR C 49 -6.189 13.143 -4.199 1.00 0.00 N ATOM 2484 CA THR C 49 -5.231 14.188 -3.855 1.00 0.00 C ATOM 2485 C THR C 49 -5.055 15.161 -5.017 1.00 0.00 C ATOM 2486 O THR C 49 -5.307 14.816 -6.171 1.00 0.00 O ATOM 2487 CB THR C 49 -3.882 13.573 -3.482 1.00 0.00 C ATOM 2488 OG1 THR C 49 -4.055 12.494 -2.582 1.00 0.00 O ATOM 2489 CG2 THR C 49 -2.932 14.561 -2.840 1.00 0.00 C ATOM 0 H THR C 49 -6.011 12.692 -5.096 1.00 0.00 H new ATOM 0 HA THR C 49 -5.620 14.736 -2.997 1.00 0.00 H new ATOM 0 HB THR C 49 -3.447 13.235 -4.423 1.00 0.00 H new ATOM 0 HG1 THR C 49 -3.393 12.559 -1.862 1.00 0.00 H new ATOM 0 HG21 THR C 49 -1.994 14.060 -2.600 1.00 0.00 H new ATOM 0 HG22 THR C 49 -2.739 15.382 -3.531 1.00 0.00 H new ATOM 0 HG23 THR C 49 -3.378 14.953 -1.926 1.00 0.00 H new ATOM 2497 N LYS C 50 -4.620 16.380 -4.708 1.00 0.00 N ATOM 2498 CA LYS C 50 -4.414 17.397 -5.732 1.00 0.00 C ATOM 2499 C LYS C 50 -2.996 17.957 -5.669 1.00 0.00 C ATOM 2500 O LYS C 50 -2.582 18.520 -4.655 1.00 0.00 O ATOM 2501 CB LYS C 50 -5.431 18.529 -5.568 1.00 0.00 C ATOM 2502 CG LYS C 50 -6.815 18.181 -6.092 1.00 0.00 C ATOM 2503 CD LYS C 50 -7.883 19.071 -5.478 1.00 0.00 C ATOM 2504 CE LYS C 50 -9.254 18.419 -5.540 1.00 0.00 C ATOM 2505 NZ LYS C 50 -10.206 19.034 -4.573 1.00 0.00 N ATOM 0 H LYS C 50 -4.404 16.686 -3.759 1.00 0.00 H new ATOM 0 HA LYS C 50 -4.555 16.929 -6.706 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -5.506 18.790 -4.512 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -5.065 19.414 -6.090 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -6.832 18.286 -7.177 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -7.038 17.137 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -7.627 19.285 -4.440 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -7.909 20.026 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -9.654 18.509 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -9.159 17.354 -5.329 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -11.129 18.561 -4.647 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -9.838 18.926 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -10.317 20.045 -4.790 1.00 0.00 H new ATOM 2519 N THR C 51 -2.259 17.796 -6.763 1.00 0.00 N ATOM 2520 CA THR C 51 -0.885 18.281 -6.847 1.00 0.00 C ATOM 2521 C THR C 51 -0.797 19.468 -7.807 1.00 0.00 C ATOM 2522 O THR C 51 -1.299 19.408 -8.929 1.00 0.00 O ATOM 2523 CB THR C 51 0.039 17.140 -7.291 1.00 0.00 C ATOM 2524 OG1 THR C 51 0.125 16.154 -6.275 1.00 0.00 O ATOM 2525 CG2 THR C 51 1.451 17.582 -7.612 1.00 0.00 C ATOM 0 H THR C 51 -2.592 17.331 -7.608 1.00 0.00 H new ATOM 0 HA THR C 51 -0.563 18.624 -5.864 1.00 0.00 H new ATOM 0 HB THR C 51 -0.410 16.748 -8.204 1.00 0.00 H new ATOM 0 HG1 THR C 51 0.596 15.367 -6.622 1.00 0.00 H new ATOM 0 HG21 THR C 51 2.042 16.719 -7.918 1.00 0.00 H new ATOM 0 HG22 THR C 51 1.429 18.312 -8.422 1.00 0.00 H new ATOM 0 HG23 THR C 51 1.900 18.035 -6.728 1.00 0.00 H new ATOM 2533 N PHE C 52 -0.157 20.545 -7.357 1.00 0.00 N ATOM 2534 CA PHE C 52 -0.005 21.747 -8.172 1.00 0.00 C ATOM 2535 C PHE C 52 1.142 21.603 -9.168 1.00 0.00 C ATOM 2536 O PHE C 52 2.304 21.501 -8.778 1.00 0.00 O ATOM 2537 CB PHE C 52 0.233 22.968 -7.280 1.00 0.00 C ATOM 2538 CG PHE C 52 0.216 24.273 -8.026 1.00 0.00 C ATOM 2539 CD1 PHE C 52 -0.973 24.952 -8.236 1.00 0.00 C ATOM 2540 CD2 PHE C 52 1.391 24.820 -8.516 1.00 0.00 C ATOM 2541 CE1 PHE C 52 -0.991 26.152 -8.921 1.00 0.00 C ATOM 2542 CE2 PHE C 52 1.380 26.020 -9.203 1.00 0.00 C ATOM 2543 CZ PHE C 52 0.187 26.687 -9.405 1.00 0.00 C ATOM 0 H PHE C 52 0.265 20.609 -6.431 1.00 0.00 H new ATOM 0 HA PHE C 52 -0.929 21.885 -8.734 1.00 0.00 H new ATOM 0 HB2 PHE C 52 -0.531 22.994 -6.503 1.00 0.00 H new ATOM 0 HB3 PHE C 52 1.195 22.859 -6.778 1.00 0.00 H new ATOM 0 HD1 PHE C 52 -1.897 24.539 -7.860 1.00 0.00 H new ATOM 0 HD2 PHE C 52 2.326 24.303 -8.360 1.00 0.00 H new ATOM 0 HE1 PHE C 52 -1.925 26.671 -9.078 1.00 0.00 H new ATOM 0 HE2 PHE C 52 2.303 26.435 -9.581 1.00 0.00 H new ATOM 0 HZ PHE C 52 0.175 27.625 -9.940 1.00 0.00 H new ATOM 2553 N THR C 53 0.811 21.608 -10.456 1.00 0.00 N ATOM 2554 CA THR C 53 1.823 21.490 -11.500 1.00 0.00 C ATOM 2555 C THR C 53 2.331 22.870 -11.907 1.00 0.00 C ATOM 2556 O THR C 53 1.550 23.736 -12.300 1.00 0.00 O ATOM 2557 CB THR C 53 1.249 20.759 -12.718 1.00 0.00 C ATOM 2558 OG1 THR C 53 0.784 19.471 -12.355 1.00 0.00 O ATOM 2559 CG2 THR C 53 2.252 20.585 -13.840 1.00 0.00 C ATOM 0 H THR C 53 -0.145 21.692 -10.800 1.00 0.00 H new ATOM 0 HA THR C 53 2.659 20.912 -11.107 1.00 0.00 H new ATOM 0 HB THR C 53 0.434 21.388 -13.075 1.00 0.00 H new ATOM 0 HG1 THR C 53 0.102 19.554 -11.657 1.00 0.00 H new ATOM 0 HG21 THR C 53 1.781 20.060 -14.671 1.00 0.00 H new ATOM 0 HG22 THR C 53 2.595 21.563 -14.176 1.00 0.00 H new ATOM 0 HG23 THR C 53 3.103 20.006 -13.481 1.00 0.00 H new ATOM 2567 N VAL C 54 3.642 23.073 -11.804 1.00 0.00 N ATOM 2568 CA VAL C 54 4.243 24.356 -12.158 1.00 0.00 C ATOM 2569 C VAL C 54 4.226 24.574 -13.666 1.00 0.00 C ATOM 2570 O VAL C 54 4.190 23.619 -14.442 1.00 0.00 O ATOM 2571 CB VAL C 54 5.697 24.470 -11.657 1.00 0.00 C ATOM 2572 CG1 VAL C 54 6.153 25.920 -11.680 1.00 0.00 C ATOM 2573 CG2 VAL C 54 5.841 23.884 -10.260 1.00 0.00 C ATOM 0 H VAL C 54 4.306 22.369 -11.480 1.00 0.00 H new ATOM 0 HA VAL C 54 3.641 25.122 -11.669 1.00 0.00 H new ATOM 0 HB VAL C 54 6.334 23.895 -12.329 1.00 0.00 H new ATOM 0 HG11 VAL C 54 7.181 25.984 -11.324 1.00 0.00 H new ATOM 0 HG12 VAL C 54 6.098 26.303 -12.699 1.00 0.00 H new ATOM 0 HG13 VAL C 54 5.507 26.515 -11.034 1.00 0.00 H new ATOM 0 HG21 VAL C 54 6.876 23.977 -9.931 1.00 0.00 H new ATOM 0 HG22 VAL C 54 5.191 24.423 -9.571 1.00 0.00 H new ATOM 0 HG23 VAL C 54 5.559 22.831 -10.276 1.00 0.00 H new ATOM 2583 N THR C 55 4.254 25.837 -14.073 1.00 0.00 N ATOM 2584 CA THR C 55 4.244 26.187 -15.488 1.00 0.00 C ATOM 2585 C THR C 55 5.043 27.460 -15.738 1.00 0.00 C ATOM 2586 O THR C 55 6.114 27.426 -16.345 1.00 0.00 O ATOM 2587 CB THR C 55 2.807 26.365 -15.981 1.00 0.00 C ATOM 2588 OG1 THR C 55 2.046 25.196 -15.739 1.00 0.00 O ATOM 2589 CG2 THR C 55 2.714 26.674 -17.459 1.00 0.00 C ATOM 0 H THR C 55 4.284 26.638 -13.442 1.00 0.00 H new ATOM 0 HA THR C 55 4.711 25.373 -16.042 1.00 0.00 H new ATOM 0 HB THR C 55 2.415 27.215 -15.423 1.00 0.00 H new ATOM 0 HG1 THR C 55 1.196 25.253 -16.224 1.00 0.00 H new ATOM 0 HG21 THR C 55 1.667 26.788 -17.742 1.00 0.00 H new ATOM 0 HG22 THR C 55 3.250 27.599 -17.672 1.00 0.00 H new ATOM 0 HG23 THR C 55 3.157 25.858 -18.030 1.00 0.00 H new ATOM 2597 N GLU C 56 4.514 28.579 -15.264 1.00 0.00 N ATOM 2598 CA GLU C 56 5.172 29.871 -15.428 1.00 0.00 C ATOM 2599 C GLU C 56 5.350 30.207 -16.905 1.00 0.00 C ATOM 2600 O GLU C 56 4.591 29.659 -17.733 1.00 0.00 O ATOM 2601 CB GLU C 56 6.532 29.868 -14.727 1.00 0.00 C ATOM 2602 CG GLU C 56 6.474 29.371 -13.291 1.00 0.00 C ATOM 2603 CD GLU C 56 7.844 29.288 -12.647 1.00 0.00 C ATOM 2604 OE1 GLU C 56 8.587 30.291 -12.700 1.00 0.00 O ATOM 2605 OE2 GLU C 56 8.174 28.219 -12.091 1.00 0.00 O ATOM 2606 OXT GLU C 56 6.247 31.017 -17.223 1.00 0.00 O ATOM 0 H GLU C 56 3.628 28.620 -14.761 1.00 0.00 H new ATOM 0 HA GLU C 56 4.539 30.633 -14.974 1.00 0.00 H new ATOM 0 HB2 GLU C 56 7.222 29.241 -15.292 1.00 0.00 H new ATOM 0 HB3 GLU C 56 6.939 30.879 -14.737 1.00 0.00 H new ATOM 0 HG2 GLU C 56 5.841 30.037 -12.705 1.00 0.00 H new ATOM 0 HG3 GLU C 56 6.006 28.387 -13.270 1.00 0.00 H new ATOM 2614 N MET D 1 0.497 2.128 -12.308 1.00 0.00 N ATOM 2615 CA MET D 1 -0.273 2.437 -11.076 1.00 0.00 C ATOM 2616 C MET D 1 0.600 2.301 -9.830 1.00 0.00 C ATOM 2617 O MET D 1 1.461 1.425 -9.754 1.00 0.00 O ATOM 2618 CB MET D 1 -1.472 1.488 -10.998 1.00 0.00 C ATOM 2619 CG MET D 1 -2.765 2.096 -11.518 1.00 0.00 C ATOM 2620 SD MET D 1 -3.304 3.517 -10.549 1.00 0.00 S ATOM 2621 CE MET D 1 -3.166 2.866 -8.887 1.00 0.00 C ATOM 0 H1 MET D 1 -0.147 2.112 -13.125 1.00 0.00 H new ATOM 0 H2 MET D 1 1.225 2.856 -12.454 1.00 0.00 H new ATOM 0 H3 MET D 1 0.953 1.199 -12.209 1.00 0.00 H new ATOM 0 HA MET D 1 -0.619 3.470 -11.118 1.00 0.00 H new ATOM 0 HB2 MET D 1 -1.249 0.587 -11.569 1.00 0.00 H new ATOM 0 HB3 MET D 1 -1.615 1.182 -9.962 1.00 0.00 H new ATOM 0 HG2 MET D 1 -2.627 2.400 -12.556 1.00 0.00 H new ATOM 0 HG3 MET D 1 -3.548 1.337 -11.509 1.00 0.00 H new ATOM 0 HE1 MET D 1 -3.919 3.331 -8.251 1.00 0.00 H new ATOM 0 HE2 MET D 1 -3.321 1.787 -8.905 1.00 0.00 H new ATOM 0 HE3 MET D 1 -2.173 3.083 -8.492 1.00 0.00 H new ATOM 2633 N GLN D 2 0.354 3.165 -8.852 1.00 0.00 N ATOM 2634 CA GLN D 2 1.105 3.137 -7.600 1.00 0.00 C ATOM 2635 C GLN D 2 0.349 2.341 -6.541 1.00 0.00 C ATOM 2636 O GLN D 2 -0.830 2.591 -6.287 1.00 0.00 O ATOM 2637 CB GLN D 2 1.388 4.558 -7.102 1.00 0.00 C ATOM 2638 CG GLN D 2 0.141 5.391 -6.863 1.00 0.00 C ATOM 2639 CD GLN D 2 0.465 6.833 -6.523 1.00 0.00 C ATOM 2640 OE1 GLN D 2 0.547 7.204 -5.352 1.00 0.00 O ATOM 2641 NE2 GLN D 2 0.654 7.655 -7.549 1.00 0.00 N ATOM 0 H GLN D 2 -0.359 3.893 -8.900 1.00 0.00 H new ATOM 0 HA GLN D 2 2.060 2.646 -7.787 1.00 0.00 H new ATOM 0 HB2 GLN D 2 1.956 4.500 -6.174 1.00 0.00 H new ATOM 0 HB3 GLN D 2 2.019 5.068 -7.830 1.00 0.00 H new ATOM 0 HG2 GLN D 2 -0.487 5.363 -7.753 1.00 0.00 H new ATOM 0 HG3 GLN D 2 -0.437 4.950 -6.051 1.00 0.00 H new ATOM 0 HE21 GLN D 2 0.576 7.305 -8.504 1.00 0.00 H new ATOM 0 HE22 GLN D 2 0.877 8.636 -7.382 1.00 0.00 H new ATOM 2650 N TYR D 3 1.027 1.368 -5.938 1.00 0.00 N ATOM 2651 CA TYR D 3 0.408 0.524 -4.922 1.00 0.00 C ATOM 2652 C TYR D 3 0.924 0.832 -3.519 1.00 0.00 C ATOM 2653 O TYR D 3 2.132 0.904 -3.284 1.00 0.00 O ATOM 2654 CB TYR D 3 0.636 -0.953 -5.248 1.00 0.00 C ATOM 2655 CG TYR D 3 -0.320 -1.492 -6.286 1.00 0.00 C ATOM 2656 CD1 TYR D 3 -1.641 -1.768 -5.956 1.00 0.00 C ATOM 2657 CD2 TYR D 3 0.092 -1.723 -7.592 1.00 0.00 C ATOM 2658 CE1 TYR D 3 -2.524 -2.260 -6.898 1.00 0.00 C ATOM 2659 CE2 TYR D 3 -0.785 -2.213 -8.541 1.00 0.00 C ATOM 2660 CZ TYR D 3 -2.091 -2.481 -8.189 1.00 0.00 C ATOM 2661 OH TYR D 3 -2.969 -2.970 -9.129 1.00 0.00 O ATOM 0 H TYR D 3 2.003 1.145 -6.135 1.00 0.00 H new ATOM 0 HA TYR D 3 -0.660 0.741 -4.933 1.00 0.00 H new ATOM 0 HB2 TYR D 3 1.658 -1.086 -5.602 1.00 0.00 H new ATOM 0 HB3 TYR D 3 0.537 -1.539 -4.334 1.00 0.00 H new ATOM 0 HD1 TYR D 3 -1.983 -1.595 -4.946 1.00 0.00 H new ATOM 0 HD2 TYR D 3 1.115 -1.516 -7.871 1.00 0.00 H new ATOM 0 HE1 TYR D 3 -3.548 -2.470 -6.625 1.00 0.00 H new ATOM 0 HE2 TYR D 3 -0.449 -2.385 -9.553 1.00 0.00 H new ATOM 0 HH TYR D 3 -3.118 -3.926 -8.971 1.00 0.00 H new ATOM 2671 N LYS D 4 -0.017 1.004 -2.596 1.00 0.00 N ATOM 2672 CA LYS D 4 0.305 1.298 -1.203 1.00 0.00 C ATOM 2673 C LYS D 4 0.044 0.083 -0.315 1.00 0.00 C ATOM 2674 O LYS D 4 -1.064 -0.452 -0.289 1.00 0.00 O ATOM 2675 CB LYS D 4 -0.517 2.490 -0.710 1.00 0.00 C ATOM 2676 CG LYS D 4 -0.014 3.078 0.598 1.00 0.00 C ATOM 2677 CD LYS D 4 -0.514 4.499 0.799 1.00 0.00 C ATOM 2678 CE LYS D 4 -0.066 5.064 2.137 1.00 0.00 C ATOM 2679 NZ LYS D 4 -0.469 6.488 2.301 1.00 0.00 N ATOM 0 H LYS D 4 -1.017 0.944 -2.790 1.00 0.00 H new ATOM 0 HA LYS D 4 1.365 1.546 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS D 4 -0.509 3.267 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS D 4 -1.554 2.178 -0.583 1.00 0.00 H new ATOM 0 HG2 LYS D 4 -0.344 2.454 1.429 1.00 0.00 H new ATOM 0 HG3 LYS D 4 1.076 3.070 0.606 1.00 0.00 H new ATOM 0 HD2 LYS D 4 -0.144 5.133 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS D 4 -1.602 4.514 0.743 1.00 0.00 H new ATOM 0 HE2 LYS D 4 -0.495 4.470 2.944 1.00 0.00 H new ATOM 0 HE3 LYS D 4 1.018 4.981 2.222 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 -0.145 6.836 3.226 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 -0.039 7.060 1.546 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 -1.505 6.564 2.246 1.00 0.00 H new ATOM 2693 N VAL D 5 1.071 -0.345 0.412 1.00 0.00 N ATOM 2694 CA VAL D 5 0.948 -1.497 1.303 1.00 0.00 C ATOM 2695 C VAL D 5 1.735 -1.285 2.592 1.00 0.00 C ATOM 2696 O VAL D 5 2.932 -1.000 2.559 1.00 0.00 O ATOM 2697 CB VAL D 5 1.431 -2.791 0.623 1.00 0.00 C ATOM 2698 CG1 VAL D 5 1.119 -4.001 1.490 1.00 0.00 C ATOM 2699 CG2 VAL D 5 0.799 -2.937 -0.753 1.00 0.00 C ATOM 0 H VAL D 5 1.996 0.086 0.403 1.00 0.00 H new ATOM 0 HA VAL D 5 -0.111 -1.597 1.542 1.00 0.00 H new ATOM 0 HB VAL D 5 2.512 -2.732 0.499 1.00 0.00 H new ATOM 0 HG11 VAL D 5 1.468 -4.905 0.992 1.00 0.00 H new ATOM 0 HG12 VAL D 5 1.622 -3.899 2.452 1.00 0.00 H new ATOM 0 HG13 VAL D 5 0.043 -4.067 1.649 1.00 0.00 H new ATOM 0 HG21 VAL D 5 1.151 -3.857 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL D 5 -0.286 -2.973 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL D 5 1.078 -2.086 -1.374 1.00 0.00 H new ATOM 2709 N ILE D 6 1.055 -1.424 3.727 1.00 0.00 N ATOM 2710 CA ILE D 6 1.691 -1.245 5.027 1.00 0.00 C ATOM 2711 C ILE D 6 2.138 -2.580 5.623 1.00 0.00 C ATOM 2712 O ILE D 6 1.312 -3.445 5.916 1.00 0.00 O ATOM 2713 CB ILE D 6 0.739 -0.547 6.019 1.00 0.00 C ATOM 2714 CG1 ILE D 6 0.135 0.708 5.385 1.00 0.00 C ATOM 2715 CG2 ILE D 6 1.472 -0.194 7.304 1.00 0.00 C ATOM 2716 CD1 ILE D 6 -0.973 1.329 6.209 1.00 0.00 C ATOM 0 H ILE D 6 0.064 -1.660 3.772 1.00 0.00 H new ATOM 0 HA ILE D 6 2.568 -0.619 4.864 1.00 0.00 H new ATOM 0 HB ILE D 6 -0.070 -1.235 6.263 1.00 0.00 H new ATOM 0 HG12 ILE D 6 0.924 1.446 5.237 1.00 0.00 H new ATOM 0 HG13 ILE D 6 -0.255 0.455 4.399 1.00 0.00 H new ATOM 0 HG21 ILE D 6 0.784 0.298 7.992 1.00 0.00 H new ATOM 0 HG22 ILE D 6 1.857 -1.104 7.765 1.00 0.00 H new ATOM 0 HG23 ILE D 6 2.300 0.477 7.078 1.00 0.00 H new ATOM 0 HD11 ILE D 6 -1.354 2.214 5.699 1.00 0.00 H new ATOM 0 HD12 ILE D 6 -1.780 0.608 6.336 1.00 0.00 H new ATOM 0 HD13 ILE D 6 -0.584 1.613 7.187 1.00 0.00 H new ATOM 2728 N LEU D 7 3.445 -2.729 5.814 1.00 0.00 N ATOM 2729 CA LEU D 7 3.999 -3.950 6.394 1.00 0.00 C ATOM 2730 C LEU D 7 4.372 -3.711 7.855 1.00 0.00 C ATOM 2731 O LEU D 7 5.113 -2.780 8.169 1.00 0.00 O ATOM 2732 CB LEU D 7 5.223 -4.421 5.597 1.00 0.00 C ATOM 2733 CG LEU D 7 4.953 -5.566 4.611 1.00 0.00 C ATOM 2734 CD1 LEU D 7 4.802 -5.028 3.196 1.00 0.00 C ATOM 2735 CD2 LEU D 7 6.065 -6.605 4.670 1.00 0.00 C ATOM 0 H LEU D 7 4.140 -2.021 5.576 1.00 0.00 H new ATOM 0 HA LEU D 7 3.242 -4.733 6.348 1.00 0.00 H new ATOM 0 HB2 LEU D 7 5.626 -3.573 5.044 1.00 0.00 H new ATOM 0 HB3 LEU D 7 5.994 -4.740 6.298 1.00 0.00 H new ATOM 0 HG LEU D 7 4.019 -6.049 4.899 1.00 0.00 H new ATOM 0 HD11 LEU D 7 4.611 -5.854 2.511 1.00 0.00 H new ATOM 0 HD12 LEU D 7 3.968 -4.327 3.160 1.00 0.00 H new ATOM 0 HD13 LEU D 7 5.719 -4.517 2.901 1.00 0.00 H new ATOM 0 HD21 LEU D 7 5.852 -7.407 3.963 1.00 0.00 H new ATOM 0 HD22 LEU D 7 7.015 -6.136 4.412 1.00 0.00 H new ATOM 0 HD23 LEU D 7 6.125 -7.017 5.678 1.00 0.00 H new ATOM 2950 N ASP D 22 7.289 -8.717 7.414 1.00 0.00 N ATOM 2951 CA ASP D 22 8.456 -7.900 7.741 1.00 0.00 C ATOM 2952 C ASP D 22 8.880 -7.018 6.575 1.00 0.00 C ATOM 2953 O ASP D 22 8.750 -7.387 5.408 1.00 0.00 O ATOM 2954 CB ASP D 22 9.624 -8.790 8.168 1.00 0.00 C ATOM 2955 CG ASP D 22 9.640 -9.037 9.664 1.00 0.00 C ATOM 2956 OD1 ASP D 22 8.567 -8.930 10.294 1.00 0.00 O ATOM 2957 OD2 ASP D 22 10.726 -9.336 10.205 1.00 0.00 O ATOM 0 HA ASP D 22 8.173 -7.247 8.567 1.00 0.00 H new ATOM 0 HB2 ASP D 22 9.561 -9.744 7.645 1.00 0.00 H new ATOM 0 HB3 ASP D 22 10.562 -8.323 7.869 1.00 0.00 H new ATOM 2962 N ALA D 23 9.397 -5.845 6.915 1.00 0.00 N ATOM 2963 CA ALA D 23 9.859 -4.883 5.931 1.00 0.00 C ATOM 2964 C ALA D 23 10.842 -5.524 4.951 1.00 0.00 C ATOM 2965 O ALA D 23 10.762 -5.305 3.743 1.00 0.00 O ATOM 2966 CB ALA D 23 10.492 -3.706 6.649 1.00 0.00 C ATOM 0 H ALA D 23 9.507 -5.536 7.881 1.00 0.00 H new ATOM 0 HA ALA D 23 9.009 -4.532 5.346 1.00 0.00 H new ATOM 0 HB1 ALA D 23 10.842 -2.978 5.917 1.00 0.00 H new ATOM 0 HB2 ALA D 23 9.755 -3.238 7.301 1.00 0.00 H new ATOM 0 HB3 ALA D 23 11.335 -4.054 7.246 1.00 0.00 H new ATOM 2972 N ALA D 24 11.763 -6.324 5.483 1.00 0.00 N ATOM 2973 CA ALA D 24 12.755 -7.008 4.661 1.00 0.00 C ATOM 2974 C ALA D 24 12.095 -8.061 3.773 1.00 0.00 C ATOM 2975 O ALA D 24 12.535 -8.307 2.651 1.00 0.00 O ATOM 2976 CB ALA D 24 13.818 -7.648 5.540 1.00 0.00 C ATOM 0 H ALA D 24 11.842 -6.514 6.482 1.00 0.00 H new ATOM 0 HA ALA D 24 13.231 -6.269 4.016 1.00 0.00 H new ATOM 0 HB1 ALA D 24 14.552 -8.155 4.913 1.00 0.00 H new ATOM 0 HB2 ALA D 24 14.315 -6.877 6.130 1.00 0.00 H new ATOM 0 HB3 ALA D 24 13.350 -8.371 6.208 1.00 0.00 H new ATOM 2982 N THR D 25 11.034 -8.674 4.288 1.00 0.00 N ATOM 2983 CA THR D 25 10.303 -9.700 3.550 1.00 0.00 C ATOM 2984 C THR D 25 9.693 -9.105 2.285 1.00 0.00 C ATOM 2985 O THR D 25 9.684 -9.736 1.229 1.00 0.00 O ATOM 2986 CB THR D 25 9.215 -10.310 4.445 1.00 0.00 C ATOM 2987 OG1 THR D 25 9.797 -11.124 5.449 1.00 0.00 O ATOM 2988 CG2 THR D 25 8.204 -11.160 3.703 1.00 0.00 C ATOM 0 H THR D 25 10.660 -8.478 5.216 1.00 0.00 H new ATOM 0 HA THR D 25 10.994 -10.490 3.256 1.00 0.00 H new ATOM 0 HB THR D 25 8.690 -9.453 4.868 1.00 0.00 H new ATOM 0 HG1 THR D 25 9.091 -11.504 6.012 1.00 0.00 H new ATOM 0 HG21 THR D 25 7.471 -11.552 4.408 1.00 0.00 H new ATOM 0 HG22 THR D 25 7.697 -10.552 2.954 1.00 0.00 H new ATOM 0 HG23 THR D 25 8.715 -11.988 3.212 1.00 0.00 H new ATOM 2996 N PHE D 26 9.198 -7.878 2.401 1.00 0.00 N ATOM 2997 CA PHE D 26 8.603 -7.184 1.265 1.00 0.00 C ATOM 2998 C PHE D 26 9.646 -6.922 0.180 1.00 0.00 C ATOM 2999 O PHE D 26 9.434 -7.237 -0.990 1.00 0.00 O ATOM 3000 CB PHE D 26 7.978 -5.862 1.714 1.00 0.00 C ATOM 3001 CG PHE D 26 7.216 -5.162 0.626 1.00 0.00 C ATOM 3002 CD1 PHE D 26 5.950 -5.595 0.259 1.00 0.00 C ATOM 3003 CD2 PHE D 26 7.763 -4.073 -0.033 1.00 0.00 C ATOM 3004 CE1 PHE D 26 5.247 -4.955 -0.743 1.00 0.00 C ATOM 3005 CE2 PHE D 26 7.064 -3.428 -1.036 1.00 0.00 C ATOM 3006 CZ PHE D 26 5.805 -3.870 -1.392 1.00 0.00 C ATOM 0 H PHE D 26 9.197 -7.344 3.270 1.00 0.00 H new ATOM 0 HA PHE D 26 7.824 -7.824 0.851 1.00 0.00 H new ATOM 0 HB2 PHE D 26 7.308 -6.052 2.552 1.00 0.00 H new ATOM 0 HB3 PHE D 26 8.765 -5.202 2.078 1.00 0.00 H new ATOM 0 HD1 PHE D 26 5.509 -6.442 0.763 1.00 0.00 H new ATOM 0 HD2 PHE D 26 8.748 -3.724 0.240 1.00 0.00 H new ATOM 0 HE1 PHE D 26 4.262 -5.302 -1.019 1.00 0.00 H new ATOM 0 HE2 PHE D 26 7.502 -2.579 -1.541 1.00 0.00 H new ATOM 0 HZ PHE D 26 5.257 -3.369 -2.176 1.00 0.00 H new ATOM 3016 N GLU D 27 10.769 -6.335 0.581 1.00 0.00 N ATOM 3017 CA GLU D 27 11.848 -6.015 -0.350 1.00 0.00 C ATOM 3018 C GLU D 27 12.319 -7.247 -1.120 1.00 0.00 C ATOM 3019 O GLU D 27 12.462 -7.207 -2.342 1.00 0.00 O ATOM 3020 CB GLU D 27 13.028 -5.396 0.404 1.00 0.00 C ATOM 3021 CG GLU D 27 12.703 -4.063 1.057 1.00 0.00 C ATOM 3022 CD GLU D 27 13.790 -3.600 2.009 1.00 0.00 C ATOM 3023 OE1 GLU D 27 14.269 -4.429 2.810 1.00 0.00 O ATOM 3024 OE2 GLU D 27 14.160 -2.409 1.952 1.00 0.00 O ATOM 0 H GLU D 27 10.957 -6.070 1.548 1.00 0.00 H new ATOM 0 HA GLU D 27 11.456 -5.298 -1.071 1.00 0.00 H new ATOM 0 HB2 GLU D 27 13.364 -6.094 1.171 1.00 0.00 H new ATOM 0 HB3 GLU D 27 13.859 -5.259 -0.288 1.00 0.00 H new ATOM 0 HG2 GLU D 27 12.558 -3.309 0.283 1.00 0.00 H new ATOM 0 HG3 GLU D 27 11.762 -4.148 1.600 1.00 0.00 H new ATOM 3031 N LYS D 28 12.589 -8.329 -0.398 1.00 0.00 N ATOM 3032 CA LYS D 28 13.078 -9.558 -1.016 1.00 0.00 C ATOM 3033 C LYS D 28 12.024 -10.226 -1.899 1.00 0.00 C ATOM 3034 O LYS D 28 12.311 -10.595 -3.038 1.00 0.00 O ATOM 3035 CB LYS D 28 13.543 -10.539 0.064 1.00 0.00 C ATOM 3036 CG LYS D 28 14.288 -11.743 -0.490 1.00 0.00 C ATOM 3037 CD LYS D 28 14.730 -12.683 0.620 1.00 0.00 C ATOM 3038 CE LYS D 28 16.125 -12.343 1.116 1.00 0.00 C ATOM 3039 NZ LYS D 28 17.179 -12.781 0.159 1.00 0.00 N ATOM 0 H LYS D 28 12.478 -8.381 0.615 1.00 0.00 H new ATOM 0 HA LYS D 28 13.916 -9.284 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS D 28 14.190 -10.014 0.767 1.00 0.00 H new ATOM 0 HB3 LYS D 28 12.676 -10.886 0.626 1.00 0.00 H new ATOM 0 HG2 LYS D 28 13.646 -12.280 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS D 28 15.159 -11.406 -1.052 1.00 0.00 H new ATOM 0 HD2 LYS D 28 14.024 -12.626 1.449 1.00 0.00 H new ATOM 0 HD3 LYS D 28 14.712 -13.710 0.256 1.00 0.00 H new ATOM 0 HE2 LYS D 28 16.202 -11.267 1.273 1.00 0.00 H new ATOM 0 HE3 LYS D 28 16.292 -12.819 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS D 28 18.115 -12.670 0.599 1.00 0.00 H new ATOM 0 HZ2 LYS D 28 17.029 -13.780 -0.089 1.00 0.00 H new ATOM 0 HZ3 LYS D 28 17.130 -12.199 -0.702 1.00 0.00 H new ATOM 3053 N VAL D 29 10.811 -10.387 -1.380 1.00 0.00 N ATOM 3054 CA VAL D 29 9.732 -11.018 -2.140 1.00 0.00 C ATOM 3055 C VAL D 29 9.341 -10.202 -3.369 1.00 0.00 C ATOM 3056 O VAL D 29 9.125 -10.753 -4.447 1.00 0.00 O ATOM 3057 CB VAL D 29 8.478 -11.230 -1.268 1.00 0.00 C ATOM 3058 CG1 VAL D 29 7.365 -11.893 -2.071 1.00 0.00 C ATOM 3059 CG2 VAL D 29 8.819 -12.053 -0.035 1.00 0.00 C ATOM 0 H VAL D 29 10.549 -10.091 -0.440 1.00 0.00 H new ATOM 0 HA VAL D 29 10.119 -11.984 -2.466 1.00 0.00 H new ATOM 0 HB VAL D 29 8.120 -10.254 -0.940 1.00 0.00 H new ATOM 0 HG11 VAL D 29 6.491 -12.032 -1.435 1.00 0.00 H new ATOM 0 HG12 VAL D 29 7.100 -11.260 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL D 29 7.707 -12.862 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL D 29 7.922 -12.193 0.569 1.00 0.00 H new ATOM 0 HG22 VAL D 29 9.205 -13.025 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL D 29 9.575 -11.532 0.553 1.00 0.00 H new ATOM 3069 N VAL D 30 9.237 -8.890 -3.193 1.00 0.00 N ATOM 3070 CA VAL D 30 8.851 -8.001 -4.285 1.00 0.00 C ATOM 3071 C VAL D 30 9.935 -7.923 -5.355 1.00 0.00 C ATOM 3072 O VAL D 30 9.638 -7.978 -6.548 1.00 0.00 O ATOM 3073 CB VAL D 30 8.517 -6.586 -3.768 1.00 0.00 C ATOM 3074 CG1 VAL D 30 8.105 -5.667 -4.911 1.00 0.00 C ATOM 3075 CG2 VAL D 30 7.417 -6.658 -2.720 1.00 0.00 C ATOM 0 H VAL D 30 9.414 -8.418 -2.306 1.00 0.00 H new ATOM 0 HA VAL D 30 7.954 -8.426 -4.736 1.00 0.00 H new ATOM 0 HB VAL D 30 9.414 -6.169 -3.310 1.00 0.00 H new ATOM 0 HG11 VAL D 30 7.876 -4.677 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL D 30 8.921 -5.592 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL D 30 7.223 -6.074 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL D 30 7.189 -5.654 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL D 30 6.522 -7.098 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL D 30 7.750 -7.274 -1.885 1.00 0.00 H new ATOM 3085 N LYS D 31 11.188 -7.801 -4.936 1.00 0.00 N ATOM 3086 CA LYS D 31 12.293 -7.726 -5.883 1.00 0.00 C ATOM 3087 C LYS D 31 12.441 -9.039 -6.645 1.00 0.00 C ATOM 3088 O LYS D 31 12.610 -9.047 -7.863 1.00 0.00 O ATOM 3089 CB LYS D 31 13.598 -7.397 -5.156 1.00 0.00 C ATOM 3090 CG LYS D 31 14.761 -7.121 -6.094 1.00 0.00 C ATOM 3091 CD LYS D 31 16.096 -7.435 -5.438 1.00 0.00 C ATOM 3092 CE LYS D 31 17.240 -7.349 -6.436 1.00 0.00 C ATOM 3093 NZ LYS D 31 18.465 -8.034 -5.937 1.00 0.00 N ATOM 0 H LYS D 31 11.463 -7.752 -3.955 1.00 0.00 H new ATOM 0 HA LYS D 31 12.074 -6.931 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS D 31 13.440 -6.526 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS D 31 13.859 -8.228 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS D 31 14.650 -7.719 -6.998 1.00 0.00 H new ATOM 0 HG3 LYS D 31 14.742 -6.075 -6.400 1.00 0.00 H new ATOM 0 HD2 LYS D 31 16.273 -6.738 -4.619 1.00 0.00 H new ATOM 0 HD3 LYS D 31 16.064 -8.435 -5.005 1.00 0.00 H new ATOM 0 HE2 LYS D 31 16.932 -7.798 -7.380 1.00 0.00 H new ATOM 0 HE3 LYS D 31 17.467 -6.302 -6.639 1.00 0.00 H new ATOM 0 HZ1 LYS D 31 19.221 -7.953 -6.646 1.00 0.00 H new ATOM 0 HZ2 LYS D 31 18.774 -7.590 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS D 31 18.256 -9.039 -5.767 1.00 0.00 H new ATOM 3107 N GLN D 32 12.368 -10.150 -5.919 1.00 0.00 N ATOM 3108 CA GLN D 32 12.487 -11.470 -6.528 1.00 0.00 C ATOM 3109 C GLN D 32 11.323 -11.752 -7.474 1.00 0.00 C ATOM 3110 O GLN D 32 11.514 -12.297 -8.562 1.00 0.00 O ATOM 3111 CB GLN D 32 12.556 -12.551 -5.450 1.00 0.00 C ATOM 3112 CG GLN D 32 12.822 -13.942 -6.003 1.00 0.00 C ATOM 3113 CD GLN D 32 14.302 -14.268 -6.074 1.00 0.00 C ATOM 3114 OE1 GLN D 32 15.098 -13.762 -5.285 1.00 0.00 O ATOM 3115 NE2 GLN D 32 14.675 -15.119 -7.023 1.00 0.00 N ATOM 0 H GLN D 32 12.227 -10.163 -4.909 1.00 0.00 H new ATOM 0 HA GLN D 32 13.409 -11.485 -7.109 1.00 0.00 H new ATOM 0 HB2 GLN D 32 13.342 -12.295 -4.739 1.00 0.00 H new ATOM 0 HB3 GLN D 32 11.617 -12.562 -4.897 1.00 0.00 H new ATOM 0 HG2 GLN D 32 12.321 -14.680 -5.377 1.00 0.00 H new ATOM 0 HG3 GLN D 32 12.388 -14.022 -7.000 1.00 0.00 H new ATOM 0 HE21 GLN D 32 13.979 -15.514 -7.656 1.00 0.00 H new ATOM 0 HE22 GLN D 32 15.657 -15.377 -7.119 1.00 0.00 H new ATOM 3124 N PHE D 33 10.118 -11.369 -7.060 1.00 0.00 N ATOM 3125 CA PHE D 33 8.912 -11.560 -7.858 1.00 0.00 C ATOM 3126 C PHE D 33 8.876 -10.688 -9.113 1.00 0.00 C ATOM 3127 O PHE D 33 8.598 -11.182 -10.205 1.00 0.00 O ATOM 3128 CB PHE D 33 7.693 -11.343 -6.944 1.00 0.00 C ATOM 3129 CG PHE D 33 6.411 -10.941 -7.625 1.00 0.00 C ATOM 3130 CD1 PHE D 33 5.827 -11.710 -8.619 1.00 0.00 C ATOM 3131 CD2 PHE D 33 5.771 -9.781 -7.217 1.00 0.00 C ATOM 3132 CE1 PHE D 33 4.631 -11.316 -9.201 1.00 0.00 C ATOM 3133 CE2 PHE D 33 4.583 -9.384 -7.792 1.00 0.00 C ATOM 3134 CZ PHE D 33 4.010 -10.151 -8.785 1.00 0.00 C ATOM 0 H PHE D 33 9.951 -10.917 -6.161 1.00 0.00 H new ATOM 0 HA PHE D 33 8.899 -12.579 -8.245 1.00 0.00 H new ATOM 0 HB2 PHE D 33 7.512 -12.265 -6.391 1.00 0.00 H new ATOM 0 HB3 PHE D 33 7.947 -10.576 -6.212 1.00 0.00 H new ATOM 0 HD1 PHE D 33 6.306 -12.622 -8.943 1.00 0.00 H new ATOM 0 HD2 PHE D 33 6.210 -9.179 -6.436 1.00 0.00 H new ATOM 0 HE1 PHE D 33 4.185 -11.918 -9.979 1.00 0.00 H new ATOM 0 HE2 PHE D 33 4.102 -8.474 -7.466 1.00 0.00 H new ATOM 0 HZ PHE D 33 3.079 -9.843 -9.237 1.00 0.00 H new ATOM 3144 N PHE D 34 9.145 -9.399 -8.962 1.00 0.00 N ATOM 3145 CA PHE D 34 9.125 -8.488 -10.103 1.00 0.00 C ATOM 3146 C PHE D 34 10.381 -8.599 -10.979 1.00 0.00 C ATOM 3147 O PHE D 34 10.308 -8.400 -12.191 1.00 0.00 O ATOM 3148 CB PHE D 34 8.870 -7.055 -9.639 1.00 0.00 C ATOM 3149 CG PHE D 34 7.416 -6.824 -9.332 1.00 0.00 C ATOM 3150 CD1 PHE D 34 6.455 -7.043 -10.307 1.00 0.00 C ATOM 3151 CD2 PHE D 34 7.003 -6.423 -8.070 1.00 0.00 C ATOM 3152 CE1 PHE D 34 5.113 -6.862 -10.035 1.00 0.00 C ATOM 3153 CE2 PHE D 34 5.658 -6.245 -7.790 1.00 0.00 C ATOM 3154 CZ PHE D 34 4.714 -6.463 -8.776 1.00 0.00 C ATOM 0 H PHE D 34 9.378 -8.961 -8.071 1.00 0.00 H new ATOM 0 HA PHE D 34 8.297 -8.789 -10.744 1.00 0.00 H new ATOM 0 HB2 PHE D 34 9.468 -6.847 -8.751 1.00 0.00 H new ATOM 0 HB3 PHE D 34 9.195 -6.358 -10.412 1.00 0.00 H new ATOM 0 HD1 PHE D 34 6.760 -7.360 -11.293 1.00 0.00 H new ATOM 0 HD2 PHE D 34 7.737 -6.248 -7.298 1.00 0.00 H new ATOM 0 HE1 PHE D 34 4.377 -7.033 -10.807 1.00 0.00 H new ATOM 0 HE2 PHE D 34 5.347 -5.936 -6.803 1.00 0.00 H new ATOM 0 HZ PHE D 34 3.665 -6.321 -8.561 1.00 0.00 H new ATOM 3164 N ASN D 35 11.527 -8.936 -10.383 1.00 0.00 N ATOM 3165 CA ASN D 35 12.762 -9.086 -11.164 1.00 0.00 C ATOM 3166 C ASN D 35 12.572 -10.085 -12.310 1.00 0.00 C ATOM 3167 O ASN D 35 13.226 -9.990 -13.348 1.00 0.00 O ATOM 3168 CB ASN D 35 13.939 -9.512 -10.273 1.00 0.00 C ATOM 3169 CG ASN D 35 14.606 -8.348 -9.549 1.00 0.00 C ATOM 3170 OD1 ASN D 35 15.804 -8.394 -9.267 1.00 0.00 O ATOM 3171 ND2 ASN D 35 13.849 -7.298 -9.249 1.00 0.00 N ATOM 0 H ASN D 35 11.628 -9.108 -9.383 1.00 0.00 H new ATOM 0 HA ASN D 35 12.996 -8.111 -11.592 1.00 0.00 H new ATOM 0 HB2 ASN D 35 13.584 -10.233 -9.536 1.00 0.00 H new ATOM 0 HB3 ASN D 35 14.682 -10.022 -10.886 1.00 0.00 H new ATOM 0 HD21 ASN D 35 14.257 -6.495 -8.770 1.00 0.00 H new ATOM 0 HD22 ASN D 35 12.860 -7.295 -9.498 1.00 0.00 H new ATOM 3178 N ASP D 36 11.665 -11.033 -12.110 1.00 0.00 N ATOM 3179 CA ASP D 36 11.354 -12.058 -13.109 1.00 0.00 C ATOM 3180 C ASP D 36 10.821 -11.449 -14.413 1.00 0.00 C ATOM 3181 O ASP D 36 10.799 -12.109 -15.453 1.00 0.00 O ATOM 3182 CB ASP D 36 10.342 -13.059 -12.547 1.00 0.00 C ATOM 3183 CG ASP D 36 10.850 -13.751 -11.297 1.00 0.00 C ATOM 3184 OD1 ASP D 36 12.071 -14.001 -11.210 1.00 0.00 O ATOM 3185 OD2 ASP D 36 10.027 -14.044 -10.404 1.00 0.00 O ATOM 0 H ASP D 36 11.122 -11.116 -11.251 1.00 0.00 H new ATOM 0 HA ASP D 36 12.285 -12.575 -13.342 1.00 0.00 H new ATOM 0 HB2 ASP D 36 9.410 -12.541 -12.320 1.00 0.00 H new ATOM 0 HB3 ASP D 36 10.114 -13.807 -13.306 1.00 0.00 H new ATOM 3190 N ASN D 37 10.382 -10.194 -14.347 1.00 0.00 N ATOM 3191 CA ASN D 37 9.842 -9.514 -15.527 1.00 0.00 C ATOM 3192 C ASN D 37 10.827 -8.497 -16.108 1.00 0.00 C ATOM 3193 O ASN D 37 10.670 -8.061 -17.251 1.00 0.00 O ATOM 3194 CB ASN D 37 8.503 -8.841 -15.208 1.00 0.00 C ATOM 3195 CG ASN D 37 8.654 -7.601 -14.350 1.00 0.00 C ATOM 3196 OD1 ASN D 37 9.283 -6.624 -14.755 1.00 0.00 O ATOM 3197 ND2 ASN D 37 8.073 -7.636 -13.156 1.00 0.00 N ATOM 0 H ASN D 37 10.388 -9.629 -13.498 1.00 0.00 H new ATOM 0 HA ASN D 37 9.677 -10.279 -16.285 1.00 0.00 H new ATOM 0 HB2 ASN D 37 8.006 -8.573 -16.140 1.00 0.00 H new ATOM 0 HB3 ASN D 37 7.857 -9.554 -14.696 1.00 0.00 H new ATOM 0 HD21 ASN D 37 8.138 -6.831 -12.533 1.00 0.00 H new ATOM 0 HD22 ASN D 37 7.561 -8.468 -12.862 1.00 0.00 H new ATOM 3204 N GLY D 38 11.849 -8.127 -15.336 1.00 0.00 N ATOM 3205 CA GLY D 38 12.835 -7.176 -15.829 1.00 0.00 C ATOM 3206 C GLY D 38 13.044 -5.983 -14.908 1.00 0.00 C ATOM 3207 O GLY D 38 13.602 -4.967 -15.325 1.00 0.00 O ATOM 0 H GLY D 38 12.011 -8.465 -14.387 1.00 0.00 H new ATOM 0 HA2 GLY D 38 13.786 -7.690 -15.966 1.00 0.00 H new ATOM 0 HA3 GLY D 38 12.523 -6.817 -16.810 1.00 0.00 H new ATOM 3211 N VAL D 39 12.600 -6.097 -13.660 1.00 0.00 N ATOM 3212 CA VAL D 39 12.756 -5.009 -12.696 1.00 0.00 C ATOM 3213 C VAL D 39 14.079 -5.124 -11.947 1.00 0.00 C ATOM 3214 O VAL D 39 14.530 -6.225 -11.632 1.00 0.00 O ATOM 3215 CB VAL D 39 11.603 -4.982 -11.674 1.00 0.00 C ATOM 3216 CG1 VAL D 39 11.673 -3.723 -10.820 1.00 0.00 C ATOM 3217 CG2 VAL D 39 10.261 -5.078 -12.381 1.00 0.00 C ATOM 0 H VAL D 39 12.132 -6.925 -13.293 1.00 0.00 H new ATOM 0 HA VAL D 39 12.741 -4.082 -13.268 1.00 0.00 H new ATOM 0 HB VAL D 39 11.706 -5.846 -11.017 1.00 0.00 H new ATOM 0 HG11 VAL D 39 10.851 -3.722 -10.105 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.621 -3.700 -10.283 1.00 0.00 H new ATOM 0 HG13 VAL D 39 11.597 -2.844 -11.460 1.00 0.00 H new ATOM 0 HG21 VAL D 39 9.459 -5.057 -11.643 1.00 0.00 H new ATOM 0 HG22 VAL D 39 10.148 -4.236 -13.063 1.00 0.00 H new ATOM 0 HG23 VAL D 39 10.212 -6.010 -12.944 1.00 0.00 H new ATOM 3227 N ASP D 40 14.697 -3.981 -11.666 1.00 0.00 N ATOM 3228 CA ASP D 40 15.971 -3.960 -10.955 1.00 0.00 C ATOM 3229 C ASP D 40 16.184 -2.627 -10.244 1.00 0.00 C ATOM 3230 O ASP D 40 15.331 -1.739 -10.297 1.00 0.00 O ATOM 3231 CB ASP D 40 17.124 -4.223 -11.925 1.00 0.00 C ATOM 3232 CG ASP D 40 17.266 -5.693 -12.270 1.00 0.00 C ATOM 3233 OD1 ASP D 40 16.606 -6.144 -13.229 1.00 0.00 O ATOM 3234 OD2 ASP D 40 18.038 -6.392 -11.581 1.00 0.00 O ATOM 0 H ASP D 40 14.338 -3.060 -11.919 1.00 0.00 H new ATOM 0 HA ASP D 40 15.948 -4.749 -10.203 1.00 0.00 H new ATOM 0 HB2 ASP D 40 16.963 -3.652 -12.839 1.00 0.00 H new ATOM 0 HB3 ASP D 40 18.054 -3.864 -11.485 1.00 0.00 H new ATOM 3239 N GLY D 41 17.327 -2.496 -9.579 1.00 0.00 N ATOM 3240 CA GLY D 41 17.637 -1.272 -8.864 1.00 0.00 C ATOM 3241 C GLY D 41 17.806 -1.505 -7.375 1.00 0.00 C ATOM 3242 O GLY D 41 18.317 -2.544 -6.957 1.00 0.00 O ATOM 0 H GLY D 41 18.046 -3.218 -9.523 1.00 0.00 H new ATOM 0 HA2 GLY D 41 18.552 -0.839 -9.268 1.00 0.00 H new ATOM 0 HA3 GLY D 41 16.841 -0.546 -9.028 1.00 0.00 H new ATOM 3246 N GLU D 42 17.374 -0.539 -6.572 1.00 0.00 N ATOM 3247 CA GLU D 42 17.481 -0.649 -5.122 1.00 0.00 C ATOM 3248 C GLU D 42 16.357 0.118 -4.434 1.00 0.00 C ATOM 3249 O GLU D 42 15.775 1.037 -5.012 1.00 0.00 O ATOM 3250 CB GLU D 42 18.838 -0.131 -4.646 1.00 0.00 C ATOM 3251 CG GLU D 42 20.013 -0.949 -5.160 1.00 0.00 C ATOM 3252 CD GLU D 42 21.241 -0.822 -4.280 1.00 0.00 C ATOM 3253 OE1 GLU D 42 21.875 0.254 -4.297 1.00 0.00 O ATOM 3254 OE2 GLU D 42 21.570 -1.799 -3.576 1.00 0.00 O ATOM 0 H GLU D 42 16.947 0.327 -6.900 1.00 0.00 H new ATOM 0 HA GLU D 42 17.392 -1.702 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU D 42 18.957 0.903 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU D 42 18.856 -0.129 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU D 42 19.722 -1.998 -5.222 1.00 0.00 H new ATOM 0 HG3 GLU D 42 20.260 -0.627 -6.171 1.00 0.00 H new ATOM 3261 N TRP D 43 16.055 -0.263 -3.197 1.00 0.00 N ATOM 3262 CA TRP D 43 15.001 0.391 -2.431 1.00 0.00 C ATOM 3263 C TRP D 43 15.447 1.762 -1.950 1.00 0.00 C ATOM 3264 O TRP D 43 16.381 1.885 -1.158 1.00 0.00 O ATOM 3265 CB TRP D 43 14.583 -0.479 -1.246 1.00 0.00 C ATOM 3266 CG TRP D 43 13.802 -1.691 -1.655 1.00 0.00 C ATOM 3267 CD1 TRP D 43 14.275 -2.965 -1.784 1.00 0.00 C ATOM 3268 CD2 TRP D 43 12.412 -1.742 -1.994 1.00 0.00 C ATOM 3269 NE1 TRP D 43 13.265 -3.805 -2.184 1.00 0.00 N ATOM 3270 CE2 TRP D 43 12.111 -3.079 -2.318 1.00 0.00 C ATOM 3271 CE3 TRP D 43 11.392 -0.789 -2.056 1.00 0.00 C ATOM 3272 CZ2 TRP D 43 10.833 -3.483 -2.697 1.00 0.00 C ATOM 3273 CZ3 TRP D 43 10.124 -1.192 -2.432 1.00 0.00 C ATOM 3274 CH2 TRP D 43 9.855 -2.529 -2.749 1.00 0.00 C ATOM 0 H TRP D 43 16.526 -1.022 -2.704 1.00 0.00 H new ATOM 0 HA TRP D 43 14.141 0.525 -3.087 1.00 0.00 H new ATOM 0 HB2 TRP D 43 15.473 -0.794 -0.702 1.00 0.00 H new ATOM 0 HB3 TRP D 43 13.984 0.117 -0.558 1.00 0.00 H new ATOM 0 HD1 TRP D 43 15.295 -3.268 -1.599 1.00 0.00 H new ATOM 0 HE1 TRP D 43 13.359 -4.806 -2.354 1.00 0.00 H new ATOM 0 HE3 TRP D 43 11.591 0.245 -1.814 1.00 0.00 H new ATOM 0 HZ2 TRP D 43 10.622 -4.514 -2.941 1.00 0.00 H new ATOM 0 HZ3 TRP D 43 9.328 -0.464 -2.482 1.00 0.00 H new ATOM 0 HH2 TRP D 43 8.854 -2.813 -3.041 1.00 0.00 H new ATOM 3285 N THR D 44 14.764 2.790 -2.436 1.00 0.00 N ATOM 3286 CA THR D 44 15.077 4.158 -2.060 1.00 0.00 C ATOM 3287 C THR D 44 13.975 4.737 -1.181 1.00 0.00 C ATOM 3288 O THR D 44 12.790 4.499 -1.410 1.00 0.00 O ATOM 3289 CB THR D 44 15.264 5.023 -3.307 1.00 0.00 C ATOM 3290 OG1 THR D 44 14.044 5.153 -4.015 1.00 0.00 O ATOM 3291 CG2 THR D 44 16.297 4.473 -4.266 1.00 0.00 C ATOM 0 H THR D 44 13.989 2.700 -3.093 1.00 0.00 H new ATOM 0 HA THR D 44 16.008 4.153 -1.493 1.00 0.00 H new ATOM 0 HB THR D 44 15.611 5.989 -2.940 1.00 0.00 H new ATOM 0 HG1 THR D 44 13.446 4.415 -3.774 1.00 0.00 H new ATOM 0 HG21 THR D 44 16.381 5.134 -5.129 1.00 0.00 H new ATOM 0 HG22 THR D 44 17.262 4.408 -3.763 1.00 0.00 H new ATOM 0 HG23 THR D 44 15.993 3.480 -4.598 1.00 0.00 H new ATOM 3299 N TYR D 45 14.384 5.507 -0.187 1.00 0.00 N ATOM 3300 CA TYR D 45 13.445 6.139 0.731 1.00 0.00 C ATOM 3301 C TYR D 45 12.690 7.271 0.040 1.00 0.00 C ATOM 3302 O TYR D 45 13.256 7.998 -0.777 1.00 0.00 O ATOM 3303 CB TYR D 45 14.177 6.668 1.965 1.00 0.00 C ATOM 3304 CG TYR D 45 14.471 5.598 2.994 1.00 0.00 C ATOM 3305 CD1 TYR D 45 13.522 5.248 3.946 1.00 0.00 C ATOM 3306 CD2 TYR D 45 15.693 4.938 3.011 1.00 0.00 C ATOM 3307 CE1 TYR D 45 13.783 4.271 4.888 1.00 0.00 C ATOM 3308 CE2 TYR D 45 15.961 3.959 3.950 1.00 0.00 C ATOM 3309 CZ TYR D 45 15.003 3.629 4.885 1.00 0.00 C ATOM 3310 OH TYR D 45 15.267 2.656 5.821 1.00 0.00 O ATOM 0 H TYR D 45 15.364 5.712 0.007 1.00 0.00 H new ATOM 0 HA TYR D 45 12.723 5.387 1.048 1.00 0.00 H new ATOM 0 HB2 TYR D 45 15.114 7.129 1.653 1.00 0.00 H new ATOM 0 HB3 TYR D 45 13.576 7.451 2.427 1.00 0.00 H new ATOM 0 HD1 TYR D 45 12.564 5.748 3.950 1.00 0.00 H new ATOM 0 HD2 TYR D 45 16.445 5.193 2.280 1.00 0.00 H new ATOM 0 HE1 TYR D 45 13.035 4.012 5.623 1.00 0.00 H new ATOM 0 HE2 TYR D 45 16.916 3.455 3.951 1.00 0.00 H new ATOM 0 HH TYR D 45 16.170 2.303 5.680 1.00 0.00 H new ATOM 3320 N ASP D 46 11.410 7.413 0.370 1.00 0.00 N ATOM 3321 CA ASP D 46 10.578 8.454 -0.224 1.00 0.00 C ATOM 3322 C ASP D 46 10.958 9.830 0.319 1.00 0.00 C ATOM 3323 O ASP D 46 11.572 9.940 1.380 1.00 0.00 O ATOM 3324 CB ASP D 46 9.100 8.189 0.072 1.00 0.00 C ATOM 3325 CG ASP D 46 8.581 6.938 -0.607 1.00 0.00 C ATOM 3326 OD1 ASP D 46 9.242 5.885 -0.499 1.00 0.00 O ATOM 3327 OD2 ASP D 46 7.511 7.013 -1.246 1.00 0.00 O ATOM 0 H ASP D 46 10.926 6.821 1.045 1.00 0.00 H new ATOM 0 HA ASP D 46 10.743 8.438 -1.301 1.00 0.00 H new ATOM 0 HB2 ASP D 46 8.961 8.097 1.149 1.00 0.00 H new ATOM 0 HB3 ASP D 46 8.510 9.045 -0.254 1.00 0.00 H new ATOM 3332 N ASP D 47 10.586 10.875 -0.413 1.00 0.00 N ATOM 3333 CA ASP D 47 10.885 12.242 0.000 1.00 0.00 C ATOM 3334 C ASP D 47 10.120 12.603 1.273 1.00 0.00 C ATOM 3335 O ASP D 47 8.927 12.320 1.391 1.00 0.00 O ATOM 3336 CB ASP D 47 10.532 13.225 -1.119 1.00 0.00 C ATOM 3337 CG ASP D 47 11.686 13.453 -2.075 1.00 0.00 C ATOM 3338 OD1 ASP D 47 11.936 12.572 -2.925 1.00 0.00 O ATOM 3339 OD2 ASP D 47 12.341 14.512 -1.974 1.00 0.00 O ATOM 0 H ASP D 47 10.078 10.802 -1.294 1.00 0.00 H new ATOM 0 HA ASP D 47 11.953 12.309 0.207 1.00 0.00 H new ATOM 0 HB2 ASP D 47 9.674 12.846 -1.674 1.00 0.00 H new ATOM 0 HB3 ASP D 47 10.233 14.177 -0.681 1.00 0.00 H new ATOM 3344 N ALA D 48 10.817 13.216 2.227 1.00 0.00 N ATOM 3345 CA ALA D 48 10.210 13.603 3.499 1.00 0.00 C ATOM 3346 C ALA D 48 8.967 14.468 3.296 1.00 0.00 C ATOM 3347 O ALA D 48 8.940 15.348 2.435 1.00 0.00 O ATOM 3348 CB ALA D 48 11.226 14.334 4.363 1.00 0.00 C ATOM 0 H ALA D 48 11.805 13.456 2.143 1.00 0.00 H new ATOM 0 HA ALA D 48 9.895 12.691 4.006 1.00 0.00 H new ATOM 0 HB1 ALA D 48 10.763 14.618 5.308 1.00 0.00 H new ATOM 0 HB2 ALA D 48 12.076 13.680 4.557 1.00 0.00 H new ATOM 0 HB3 ALA D 48 11.568 15.229 3.844 1.00 0.00 H new ATOM 3354 N THR D 49 7.939 14.206 4.103 1.00 0.00 N ATOM 3355 CA THR D 49 6.685 14.951 4.029 1.00 0.00 C ATOM 3356 C THR D 49 6.268 15.446 5.412 1.00 0.00 C ATOM 3357 O THR D 49 6.672 14.883 6.429 1.00 0.00 O ATOM 3358 CB THR D 49 5.578 14.078 3.434 1.00 0.00 C ATOM 3359 OG1 THR D 49 6.035 13.414 2.270 1.00 0.00 O ATOM 3360 CG2 THR D 49 4.336 14.859 3.062 1.00 0.00 C ATOM 0 H THR D 49 7.952 13.479 4.819 1.00 0.00 H new ATOM 0 HA THR D 49 6.842 15.814 3.382 1.00 0.00 H new ATOM 0 HB THR D 49 5.318 13.366 4.217 1.00 0.00 H new ATOM 0 HG1 THR D 49 5.349 13.468 1.572 1.00 0.00 H new ATOM 0 HG21 THR D 49 3.591 14.181 2.646 1.00 0.00 H new ATOM 0 HG22 THR D 49 3.931 15.343 3.951 1.00 0.00 H new ATOM 0 HG23 THR D 49 4.591 15.616 2.321 1.00 0.00 H new ATOM 3368 N LYS D 50 5.458 16.502 5.444 1.00 0.00 N ATOM 3369 CA LYS D 50 4.993 17.065 6.707 1.00 0.00 C ATOM 3370 C LYS D 50 3.469 17.150 6.742 1.00 0.00 C ATOM 3371 O LYS D 50 2.854 17.825 5.917 1.00 0.00 O ATOM 3372 CB LYS D 50 5.598 18.454 6.923 1.00 0.00 C ATOM 3373 CG LYS D 50 7.046 18.420 7.384 1.00 0.00 C ATOM 3374 CD LYS D 50 7.750 19.738 7.109 1.00 0.00 C ATOM 3375 CE LYS D 50 9.259 19.562 7.043 1.00 0.00 C ATOM 3376 NZ LYS D 50 9.918 20.686 6.324 1.00 0.00 N ATOM 0 H LYS D 50 5.112 16.982 4.613 1.00 0.00 H new ATOM 0 HA LYS D 50 5.318 16.404 7.510 1.00 0.00 H new ATOM 0 HB2 LYS D 50 5.535 19.018 5.992 1.00 0.00 H new ATOM 0 HB3 LYS D 50 5.002 18.990 7.662 1.00 0.00 H new ATOM 0 HG2 LYS D 50 7.084 18.202 8.451 1.00 0.00 H new ATOM 0 HG3 LYS D 50 7.572 17.612 6.875 1.00 0.00 H new ATOM 0 HD2 LYS D 50 7.390 20.154 6.168 1.00 0.00 H new ATOM 0 HD3 LYS D 50 7.500 20.455 7.891 1.00 0.00 H new ATOM 0 HE2 LYS D 50 9.661 19.492 8.054 1.00 0.00 H new ATOM 0 HE3 LYS D 50 9.493 18.623 6.541 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 10.946 20.528 6.301 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 9.554 20.737 5.351 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 9.716 21.579 6.817 1.00 0.00 H new ATOM 3390 N THR D 51 2.872 16.458 7.708 1.00 0.00 N ATOM 3391 CA THR D 51 1.421 16.446 7.863 1.00 0.00 C ATOM 3392 C THR D 51 1.013 17.217 9.118 1.00 0.00 C ATOM 3393 O THR D 51 1.563 16.998 10.198 1.00 0.00 O ATOM 3394 CB THR D 51 0.918 14.998 7.914 1.00 0.00 C ATOM 3395 OG1 THR D 51 1.094 14.371 6.655 1.00 0.00 O ATOM 3396 CG2 THR D 51 -0.546 14.868 8.284 1.00 0.00 C ATOM 0 H THR D 51 3.373 15.897 8.397 1.00 0.00 H new ATOM 0 HA THR D 51 0.963 16.940 7.006 1.00 0.00 H new ATOM 0 HB THR D 51 1.510 14.519 8.694 1.00 0.00 H new ATOM 0 HG1 THR D 51 0.907 13.413 6.738 1.00 0.00 H new ATOM 0 HG21 THR D 51 -0.825 13.815 8.299 1.00 0.00 H new ATOM 0 HG22 THR D 51 -0.712 15.301 9.270 1.00 0.00 H new ATOM 0 HG23 THR D 51 -1.155 15.395 7.549 1.00 0.00 H new ATOM 3404 N PHE D 52 0.047 18.123 8.968 1.00 0.00 N ATOM 3405 CA PHE D 52 -0.433 18.929 10.087 1.00 0.00 C ATOM 3406 C PHE D 52 -1.429 18.154 10.945 1.00 0.00 C ATOM 3407 O PHE D 52 -2.518 17.813 10.488 1.00 0.00 O ATOM 3408 CB PHE D 52 -1.082 20.217 9.574 1.00 0.00 C ATOM 3409 CG PHE D 52 -1.439 21.188 10.663 1.00 0.00 C ATOM 3410 CD1 PHE D 52 -0.513 22.115 11.116 1.00 0.00 C ATOM 3411 CD2 PHE D 52 -2.702 21.175 11.234 1.00 0.00 C ATOM 3412 CE1 PHE D 52 -0.840 23.010 12.118 1.00 0.00 C ATOM 3413 CE2 PHE D 52 -3.035 22.067 12.236 1.00 0.00 C ATOM 3414 CZ PHE D 52 -2.103 22.985 12.678 1.00 0.00 C ATOM 0 H PHE D 52 -0.418 18.316 8.081 1.00 0.00 H new ATOM 0 HA PHE D 52 0.427 19.180 10.707 1.00 0.00 H new ATOM 0 HB2 PHE D 52 -0.401 20.703 8.875 1.00 0.00 H new ATOM 0 HB3 PHE D 52 -1.983 19.962 9.017 1.00 0.00 H new ATOM 0 HD1 PHE D 52 0.475 22.138 10.681 1.00 0.00 H new ATOM 0 HD2 PHE D 52 -3.435 20.459 10.892 1.00 0.00 H new ATOM 0 HE1 PHE D 52 -0.110 23.727 12.462 1.00 0.00 H new ATOM 0 HE2 PHE D 52 -4.023 22.046 12.673 1.00 0.00 H new ATOM 0 HZ PHE D 52 -2.361 23.683 13.461 1.00 0.00 H new ATOM 3424 N THR D 53 -1.055 17.892 12.194 1.00 0.00 N ATOM 3425 CA THR D 53 -1.928 17.170 13.113 1.00 0.00 C ATOM 3426 C THR D 53 -2.821 18.145 13.875 1.00 0.00 C ATOM 3427 O THR D 53 -2.330 19.061 14.534 1.00 0.00 O ATOM 3428 CB THR D 53 -1.100 16.335 14.093 1.00 0.00 C ATOM 3429 OG1 THR D 53 -0.279 15.415 13.398 1.00 0.00 O ATOM 3430 CG2 THR D 53 -1.945 15.547 15.072 1.00 0.00 C ATOM 0 H THR D 53 -0.157 18.168 12.591 1.00 0.00 H new ATOM 0 HA THR D 53 -2.560 16.499 12.532 1.00 0.00 H new ATOM 0 HB THR D 53 -0.502 17.055 14.652 1.00 0.00 H new ATOM 0 HG1 THR D 53 0.340 15.904 12.816 1.00 0.00 H new ATOM 0 HG21 THR D 53 -1.296 14.978 15.737 1.00 0.00 H new ATOM 0 HG22 THR D 53 -2.555 16.233 15.660 1.00 0.00 H new ATOM 0 HG23 THR D 53 -2.593 14.863 14.525 1.00 0.00 H new ATOM 3438 N VAL D 54 -4.134 17.948 13.777 1.00 0.00 N ATOM 3439 CA VAL D 54 -5.085 18.822 14.456 1.00 0.00 C ATOM 3440 C VAL D 54 -5.062 18.592 15.963 1.00 0.00 C ATOM 3441 O VAL D 54 -4.694 17.516 16.432 1.00 0.00 O ATOM 3442 CB VAL D 54 -6.526 18.615 13.946 1.00 0.00 C ATOM 3443 CG1 VAL D 54 -7.407 19.781 14.364 1.00 0.00 C ATOM 3444 CG2 VAL D 54 -6.549 18.438 12.434 1.00 0.00 C ATOM 0 H VAL D 54 -4.561 17.195 13.237 1.00 0.00 H new ATOM 0 HA VAL D 54 -4.776 19.843 14.234 1.00 0.00 H new ATOM 0 HB VAL D 54 -6.920 17.704 14.396 1.00 0.00 H new ATOM 0 HG11 VAL D 54 -8.421 19.621 13.997 1.00 0.00 H new ATOM 0 HG12 VAL D 54 -7.422 19.854 15.451 1.00 0.00 H new ATOM 0 HG13 VAL D 54 -7.011 20.705 13.944 1.00 0.00 H new ATOM 0 HG21 VAL D 54 -7.577 18.294 12.100 1.00 0.00 H new ATOM 0 HG22 VAL D 54 -6.134 19.326 11.957 1.00 0.00 H new ATOM 0 HG23 VAL D 54 -5.953 17.567 12.160 1.00 0.00 H new ATOM 3454 N THR D 55 -5.461 19.612 16.714 1.00 0.00 N ATOM 3455 CA THR D 55 -5.489 19.526 18.170 1.00 0.00 C ATOM 3456 C THR D 55 -6.633 20.358 18.739 1.00 0.00 C ATOM 3457 O THR D 55 -7.608 19.818 19.263 1.00 0.00 O ATOM 3458 CB THR D 55 -4.157 19.996 18.755 1.00 0.00 C ATOM 3459 OG1 THR D 55 -3.081 19.245 18.221 1.00 0.00 O ATOM 3460 CG2 THR D 55 -4.091 19.881 20.263 1.00 0.00 C ATOM 0 H THR D 55 -5.770 20.509 16.339 1.00 0.00 H new ATOM 0 HA THR D 55 -5.649 18.484 18.447 1.00 0.00 H new ATOM 0 HB THR D 55 -4.079 21.048 18.482 1.00 0.00 H new ATOM 0 HG1 THR D 55 -2.268 19.424 18.738 1.00 0.00 H new ATOM 0 HG21 THR D 55 -3.120 20.231 20.612 1.00 0.00 H new ATOM 0 HG22 THR D 55 -4.878 20.489 20.709 1.00 0.00 H new ATOM 0 HG23 THR D 55 -4.228 18.840 20.555 1.00 0.00 H new ATOM 3468 N GLU D 56 -6.503 21.672 18.629 1.00 0.00 N ATOM 3469 CA GLU D 56 -7.523 22.588 19.130 1.00 0.00 C ATOM 3470 C GLU D 56 -7.722 22.416 20.632 1.00 0.00 C ATOM 3471 O GLU D 56 -6.783 21.936 21.301 1.00 0.00 O ATOM 3472 CB GLU D 56 -8.847 22.361 18.398 1.00 0.00 C ATOM 3473 CG GLU D 56 -8.711 22.348 16.884 1.00 0.00 C ATOM 3474 CD GLU D 56 -10.017 22.029 16.185 1.00 0.00 C ATOM 3475 OE1 GLU D 56 -11.030 22.699 16.479 1.00 0.00 O ATOM 3476 OE2 GLU D 56 -10.029 21.106 15.341 1.00 0.00 O ATOM 3477 OXT GLU D 56 -8.815 22.762 21.126 1.00 0.00 O ATOM 0 H GLU D 56 -5.701 22.130 18.197 1.00 0.00 H new ATOM 0 HA GLU D 56 -7.182 23.606 18.943 1.00 0.00 H new ATOM 0 HB2 GLU D 56 -9.275 21.413 18.724 1.00 0.00 H new ATOM 0 HB3 GLU D 56 -9.550 23.143 18.685 1.00 0.00 H new ATOM 0 HG2 GLU D 56 -8.351 23.320 16.547 1.00 0.00 H new ATOM 0 HG3 GLU D 56 -7.960 21.612 16.597 1.00 0.00 H new