USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 993 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 HIS :FLIP no HE2:sc= -0.229 X(o=-5,f=-4.6) USER MOD Set 1.2: A 48 GLN :FLIP amide:sc= -4.35! C(o=-5!,f=-4.6!) USER MOD Single : A 23 SER OG : rot -63:sc= 0.23 USER MOD Single : A 31 SER OG : rot -174:sc= -1.19 USER MOD Single : A 37 HIS : no HD1:sc= -8.57! C(o=-8.6!,f=-12!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0514 K(o=-0.051,f=-0.77) USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= -0.171 (180deg=-0.995) USER MOD Single : B 23 SER OG : rot 69:sc= 1.07 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -5.16! C(o=-5.2!,f=-8.1!) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 HIS :FLIP no HD1:sc= -1.59 F(o=-2.3,f=-1.6) USER MOD Single : B 47 ASN : amide:sc= 0.0307 X(o=0.031,f=0) USER MOD Single : B 48 GLN : amide:sc= -0.776 X(o=-0.78,f=-0.49) USER MOD Single : B 50 LYS NZ :NH3+ 178:sc= -2.43! (180deg=-2.59) USER MOD Single : C 23 SER OG : rot -45:sc= 0.985 USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -9.54! C(o=-9.5!,f=-15!) USER MOD Single : C 42 THR OG1 : rot 180:sc= 0 USER MOD Single : C 45 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.0018) USER MOD Single : C 47 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.3) USER MOD Single : C 48 GLN :FLIP amide:sc= -6.55! C(o=-9!,f=-6.6!) USER MOD Single : C 50 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.429) USER MOD Single : D 23 SER OG : rot 180:sc= 0 USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 37 HIS : no HD1:sc= -8.57! C(o=-8.6!,f=-12!) USER MOD Single : D 42 THR OG1 : rot -80:sc= 1.07 USER MOD Single : D 45 HIS : no HD1:sc= -0.0543 X(o=-0.054,f=-0.054) USER MOD Single : D 47 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.2) USER MOD Single : D 48 GLN : amide:sc= -7.72! C(o=-7.7!,f=-8.7!) USER MOD Single : D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 23 76.343 1.908 5.549 1.00 0.00 N ATOM 2 CA SER A 23 77.521 1.038 5.821 1.00 0.00 C ATOM 3 C SER A 23 78.686 1.469 4.934 1.00 0.00 C ATOM 4 O SER A 23 79.303 0.646 4.258 1.00 0.00 O ATOM 5 CB SER A 23 77.153 -0.418 5.536 1.00 0.00 C ATOM 6 OG SER A 23 78.198 -1.265 5.995 1.00 0.00 O ATOM 0 HA SER A 23 77.816 1.133 6.866 1.00 0.00 H new ATOM 0 HB2 SER A 23 76.218 -0.673 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 23 76.995 -0.563 4.467 1.00 0.00 H new ATOM 0 HG SER A 23 79.017 -1.076 5.491 1.00 0.00 H new ATOM 11 N ASP A 24 78.977 2.742 4.947 1.00 0.00 N ATOM 12 CA ASP A 24 80.069 3.279 4.150 1.00 0.00 C ATOM 13 C ASP A 24 80.035 2.725 2.730 1.00 0.00 C ATOM 14 O ASP A 24 81.026 2.178 2.247 1.00 0.00 O ATOM 15 CB ASP A 24 81.409 2.935 4.801 1.00 0.00 C ATOM 16 CG ASP A 24 81.534 3.640 6.148 1.00 0.00 C ATOM 17 OD1 ASP A 24 81.026 4.744 6.265 1.00 0.00 O ATOM 18 OD2 ASP A 24 82.136 3.067 7.041 1.00 0.00 O ATOM 0 H ASP A 24 78.476 3.437 5.501 1.00 0.00 H new ATOM 0 HA ASP A 24 79.952 4.362 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 24 81.490 1.857 4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 24 82.228 3.236 4.147 1.00 0.00 H new ATOM 23 N PRO A 25 78.929 2.868 2.054 1.00 0.00 N ATOM 24 CA PRO A 25 78.782 2.383 0.652 1.00 0.00 C ATOM 25 C PRO A 25 79.566 3.268 -0.315 1.00 0.00 C ATOM 26 O PRO A 25 79.594 3.028 -1.521 1.00 0.00 O ATOM 27 CB PRO A 25 77.272 2.476 0.400 1.00 0.00 C ATOM 28 CG PRO A 25 76.804 3.574 1.300 1.00 0.00 C ATOM 29 CD PRO A 25 77.692 3.505 2.546 1.00 0.00 C ATOM 0 HA PRO A 25 79.171 1.376 0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 25 77.058 2.702 -0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 25 76.773 1.535 0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 25 76.893 4.544 0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 25 75.754 3.444 1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 25 77.887 4.496 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 25 77.227 2.919 3.338 1.00 0.00 H new ATOM 37 N LEU A 26 80.215 4.254 0.234 1.00 0.00 N ATOM 38 CA LEU A 26 81.039 5.155 -0.568 1.00 0.00 C ATOM 39 C LEU A 26 82.323 4.446 -1.000 1.00 0.00 C ATOM 40 O LEU A 26 82.709 4.487 -2.169 1.00 0.00 O ATOM 41 CB LEU A 26 81.370 6.423 0.232 1.00 0.00 C ATOM 42 CG LEU A 26 80.172 7.380 0.214 1.00 0.00 C ATOM 43 CD1 LEU A 26 78.919 6.642 0.692 1.00 0.00 C ATOM 44 CD2 LEU A 26 80.453 8.563 1.144 1.00 0.00 C ATOM 0 H LEU A 26 80.199 4.466 1.232 1.00 0.00 H new ATOM 0 HA LEU A 26 80.483 5.443 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 26 81.621 6.160 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 26 82.245 6.914 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 26 80.013 7.743 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 26 78.068 7.323 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 26 78.719 5.799 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 26 79.076 6.278 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 26 79.603 9.245 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 26 80.612 8.198 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 26 81.345 9.090 0.804 1.00 0.00 H new ATOM 56 N VAL A 27 82.968 3.818 -0.054 1.00 0.00 N ATOM 57 CA VAL A 27 84.219 3.105 -0.313 1.00 0.00 C ATOM 58 C VAL A 27 84.003 1.907 -1.220 1.00 0.00 C ATOM 59 O VAL A 27 84.838 1.599 -2.071 1.00 0.00 O ATOM 60 CB VAL A 27 84.823 2.609 1.006 1.00 0.00 C ATOM 61 CG1 VAL A 27 86.172 1.936 0.735 1.00 0.00 C ATOM 62 CG2 VAL A 27 85.026 3.778 1.973 1.00 0.00 C ATOM 0 H VAL A 27 82.655 3.778 0.916 1.00 0.00 H new ATOM 0 HA VAL A 27 84.894 3.805 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 27 84.137 1.891 1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 27 86.599 1.585 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 27 86.028 1.090 0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 27 86.851 2.654 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 27 85.455 3.409 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 27 85.701 4.507 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 27 84.066 4.251 2.178 1.00 0.00 H new ATOM 72 N VAL A 28 82.910 1.232 -1.029 1.00 0.00 N ATOM 73 CA VAL A 28 82.615 0.057 -1.829 1.00 0.00 C ATOM 74 C VAL A 28 82.222 0.415 -3.266 1.00 0.00 C ATOM 75 O VAL A 28 82.458 -0.376 -4.177 1.00 0.00 O ATOM 76 CB VAL A 28 81.521 -0.792 -1.142 1.00 0.00 C ATOM 77 CG1 VAL A 28 80.121 -0.325 -1.559 1.00 0.00 C ATOM 78 CG2 VAL A 28 81.698 -2.269 -1.520 1.00 0.00 C ATOM 0 H VAL A 28 82.203 1.464 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 28 83.528 -0.535 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 28 81.622 -0.670 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 28 79.370 -0.939 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 28 79.985 0.718 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 28 80.012 -0.422 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 28 80.925 -2.864 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 28 81.615 -2.380 -2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 28 82.680 -2.613 -1.194 1.00 0.00 H new ATOM 88 N ALA A 29 81.604 1.555 -3.478 1.00 0.00 N ATOM 89 CA ALA A 29 81.170 1.911 -4.827 1.00 0.00 C ATOM 90 C ALA A 29 82.339 2.117 -5.787 1.00 0.00 C ATOM 91 O ALA A 29 82.371 1.496 -6.850 1.00 0.00 O ATOM 92 CB ALA A 29 80.331 3.189 -4.776 1.00 0.00 C ATOM 0 H ALA A 29 81.390 2.244 -2.757 1.00 0.00 H new ATOM 0 HA ALA A 29 80.579 1.076 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 29 80.008 3.453 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 29 79.457 3.025 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 29 80.929 4.001 -4.362 1.00 0.00 H new ATOM 98 N ALA A 30 83.283 2.964 -5.454 1.00 0.00 N ATOM 99 CA ALA A 30 84.394 3.179 -6.356 1.00 0.00 C ATOM 100 C ALA A 30 85.116 1.861 -6.577 1.00 0.00 C ATOM 101 O ALA A 30 85.391 1.459 -7.708 1.00 0.00 O ATOM 102 CB ALA A 30 85.339 4.179 -5.733 1.00 0.00 C ATOM 0 H ALA A 30 83.309 3.504 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 30 84.036 3.560 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 30 86.181 4.350 -6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 30 84.814 5.119 -5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 30 85.705 3.791 -4.782 1.00 0.00 H new ATOM 108 N SER A 31 85.395 1.208 -5.488 1.00 0.00 N ATOM 109 CA SER A 31 86.067 -0.080 -5.531 1.00 0.00 C ATOM 110 C SER A 31 85.377 -1.003 -6.537 1.00 0.00 C ATOM 111 O SER A 31 86.024 -1.599 -7.397 1.00 0.00 O ATOM 112 CB SER A 31 86.018 -0.721 -4.149 1.00 0.00 C ATOM 113 OG SER A 31 86.570 -2.028 -4.220 1.00 0.00 O ATOM 0 H SER A 31 85.171 1.538 -4.549 1.00 0.00 H new ATOM 0 HA SER A 31 87.102 0.071 -5.836 1.00 0.00 H new ATOM 0 HB2 SER A 31 86.576 -0.116 -3.434 1.00 0.00 H new ATOM 0 HB3 SER A 31 84.989 -0.767 -3.793 1.00 0.00 H new ATOM 0 HG SER A 31 86.455 -2.479 -3.357 1.00 0.00 H new ATOM 119 N ILE A 32 84.081 -1.122 -6.407 1.00 0.00 N ATOM 120 CA ILE A 32 83.297 -1.985 -7.288 1.00 0.00 C ATOM 121 C ILE A 32 83.622 -1.720 -8.765 1.00 0.00 C ATOM 122 O ILE A 32 83.873 -2.659 -9.518 1.00 0.00 O ATOM 123 CB ILE A 32 81.791 -1.778 -6.996 1.00 0.00 C ATOM 124 CG1 ILE A 32 81.385 -2.620 -5.777 1.00 0.00 C ATOM 125 CG2 ILE A 32 80.932 -2.199 -8.193 1.00 0.00 C ATOM 126 CD1 ILE A 32 80.034 -2.139 -5.246 1.00 0.00 C ATOM 0 H ILE A 32 83.533 -0.634 -5.699 1.00 0.00 H new ATOM 0 HA ILE A 32 83.558 -3.025 -7.090 1.00 0.00 H new ATOM 0 HB ILE A 32 81.627 -0.718 -6.801 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.324 -3.673 -6.054 1.00 0.00 H new ATOM 0 HG13 ILE A 32 82.143 -2.539 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 32 79.879 -2.042 -7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.203 -1.601 -9.063 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.102 -3.254 -8.410 1.00 0.00 H new ATOM 0 HD11 ILE A 32 79.749 -2.738 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 32 80.110 -1.092 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 32 79.279 -2.244 -6.025 1.00 0.00 H new ATOM 138 N ILE A 33 83.623 -0.479 -9.171 1.00 0.00 N ATOM 139 CA ILE A 33 83.933 -0.167 -10.566 1.00 0.00 C ATOM 140 C ILE A 33 85.362 -0.606 -10.887 1.00 0.00 C ATOM 141 O ILE A 33 85.625 -1.204 -11.928 1.00 0.00 O ATOM 142 CB ILE A 33 83.779 1.338 -10.839 1.00 0.00 C ATOM 143 CG1 ILE A 33 82.299 1.737 -10.734 1.00 0.00 C ATOM 144 CG2 ILE A 33 84.290 1.655 -12.251 1.00 0.00 C ATOM 145 CD1 ILE A 33 82.163 3.266 -10.777 1.00 0.00 C ATOM 0 H ILE A 33 83.419 0.327 -8.580 1.00 0.00 H new ATOM 0 HA ILE A 33 83.232 -0.706 -11.204 1.00 0.00 H new ATOM 0 HB ILE A 33 84.357 1.897 -10.104 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.734 1.290 -11.552 1.00 0.00 H new ATOM 0 HG13 ILE A 33 81.875 1.352 -9.807 1.00 0.00 H new ATOM 0 HG21 ILE A 33 84.181 2.722 -12.446 1.00 0.00 H new ATOM 0 HG22 ILE A 33 85.341 1.377 -12.328 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.711 1.092 -12.983 1.00 0.00 H new ATOM 0 HD11 ILE A 33 81.111 3.540 -10.702 1.00 0.00 H new ATOM 0 HD12 ILE A 33 82.712 3.704 -9.943 1.00 0.00 H new ATOM 0 HD13 ILE A 33 82.570 3.641 -11.716 1.00 0.00 H new ATOM 157 N GLY A 34 86.263 -0.274 -10.007 1.00 0.00 N ATOM 158 CA GLY A 34 87.673 -0.594 -10.200 1.00 0.00 C ATOM 159 C GLY A 34 87.884 -2.055 -10.606 1.00 0.00 C ATOM 160 O GLY A 34 88.648 -2.342 -11.526 1.00 0.00 O ATOM 0 H GLY A 34 86.057 0.221 -9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 34 88.090 0.058 -10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 34 88.219 -0.392 -9.278 1.00 0.00 H new ATOM 164 N ILE A 35 87.229 -2.957 -9.930 1.00 0.00 N ATOM 165 CA ILE A 35 87.377 -4.380 -10.241 1.00 0.00 C ATOM 166 C ILE A 35 86.727 -4.721 -11.582 1.00 0.00 C ATOM 167 O ILE A 35 87.153 -5.650 -12.270 1.00 0.00 O ATOM 168 CB ILE A 35 86.742 -5.227 -9.135 1.00 0.00 C ATOM 169 CG1 ILE A 35 87.269 -4.762 -7.775 1.00 0.00 C ATOM 170 CG2 ILE A 35 87.110 -6.698 -9.342 1.00 0.00 C ATOM 171 CD1 ILE A 35 86.578 -5.552 -6.662 1.00 0.00 C ATOM 0 H ILE A 35 86.589 -2.750 -9.163 1.00 0.00 H new ATOM 0 HA ILE A 35 88.442 -4.601 -10.306 1.00 0.00 H new ATOM 0 HB ILE A 35 85.658 -5.114 -9.168 1.00 0.00 H new ATOM 0 HG12 ILE A 35 88.348 -4.907 -7.722 1.00 0.00 H new ATOM 0 HG13 ILE A 35 87.084 -3.695 -7.647 1.00 0.00 H new ATOM 0 HG21 ILE A 35 86.658 -7.301 -8.554 1.00 0.00 H new ATOM 0 HG22 ILE A 35 86.741 -7.032 -10.312 1.00 0.00 H new ATOM 0 HG23 ILE A 35 88.194 -6.810 -9.308 1.00 0.00 H new ATOM 0 HD11 ILE A 35 86.953 -5.221 -5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 35 85.502 -5.384 -6.711 1.00 0.00 H new ATOM 0 HD13 ILE A 35 86.786 -6.615 -6.787 1.00 0.00 H new ATOM 183 N LEU A 36 85.705 -3.991 -11.928 1.00 0.00 N ATOM 184 CA LEU A 36 84.980 -4.225 -13.176 1.00 0.00 C ATOM 185 C LEU A 36 85.864 -3.999 -14.405 1.00 0.00 C ATOM 186 O LEU A 36 85.677 -4.645 -15.436 1.00 0.00 O ATOM 187 CB LEU A 36 83.777 -3.277 -13.248 1.00 0.00 C ATOM 188 CG LEU A 36 82.831 -3.685 -14.399 1.00 0.00 C ATOM 189 CD1 LEU A 36 81.883 -4.800 -13.940 1.00 0.00 C ATOM 190 CD2 LEU A 36 81.999 -2.473 -14.831 1.00 0.00 C ATOM 0 H LEU A 36 85.342 -3.219 -11.368 1.00 0.00 H new ATOM 0 HA LEU A 36 84.655 -5.266 -13.180 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.236 -3.295 -12.302 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.122 -2.254 -13.399 1.00 0.00 H new ATOM 0 HG LEU A 36 83.432 -4.045 -15.234 1.00 0.00 H new ATOM 0 HD11 LEU A 36 81.222 -5.077 -14.762 1.00 0.00 H new ATOM 0 HD12 LEU A 36 82.465 -5.669 -13.633 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.287 -4.447 -13.098 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.331 -2.761 -15.643 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.410 -2.116 -13.986 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.663 -1.678 -15.171 1.00 0.00 H new ATOM 202 N HIS A 37 86.801 -3.096 -14.301 1.00 0.00 N ATOM 203 CA HIS A 37 87.687 -2.802 -15.427 1.00 0.00 C ATOM 204 C HIS A 37 88.707 -3.919 -15.672 1.00 0.00 C ATOM 205 O HIS A 37 89.154 -4.121 -16.800 1.00 0.00 O ATOM 206 CB HIS A 37 88.396 -1.453 -15.216 1.00 0.00 C ATOM 207 CG HIS A 37 89.558 -1.574 -14.257 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.512 -2.579 -14.347 1.00 0.00 N ATOM 209 CD2 HIS A 37 89.940 -0.796 -13.192 1.00 0.00 C ATOM 210 CE1 HIS A 37 91.406 -2.381 -13.362 1.00 0.00 C ATOM 211 NE2 HIS A 37 91.105 -1.308 -12.629 1.00 0.00 N ATOM 0 H HIS A 37 86.981 -2.547 -13.460 1.00 0.00 H new ATOM 0 HA HIS A 37 87.065 -2.739 -16.320 1.00 0.00 H new ATOM 0 HB2 HIS A 37 88.753 -1.076 -16.174 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.683 -0.723 -14.833 1.00 0.00 H new ATOM 0 HD2 HIS A 37 89.415 0.081 -12.844 1.00 0.00 H new ATOM 0 HE1 HIS A 37 92.263 -3.014 -13.186 1.00 0.00 H new ATOM 0 HE2 HIS A 37 91.619 -0.941 -11.828 1.00 0.00 H new ATOM 220 N PHE A 38 89.101 -4.598 -14.626 1.00 0.00 N ATOM 221 CA PHE A 38 90.109 -5.653 -14.749 1.00 0.00 C ATOM 222 C PHE A 38 89.768 -6.649 -15.857 1.00 0.00 C ATOM 223 O PHE A 38 90.609 -6.948 -16.704 1.00 0.00 O ATOM 224 CB PHE A 38 90.250 -6.403 -13.423 1.00 0.00 C ATOM 225 CG PHE A 38 91.295 -7.486 -13.566 1.00 0.00 C ATOM 226 CD1 PHE A 38 92.657 -7.162 -13.507 1.00 0.00 C ATOM 227 CD2 PHE A 38 90.901 -8.817 -13.759 1.00 0.00 C ATOM 228 CE1 PHE A 38 93.622 -8.167 -13.641 1.00 0.00 C ATOM 229 CE2 PHE A 38 91.868 -9.822 -13.892 1.00 0.00 C ATOM 230 CZ PHE A 38 93.229 -9.496 -13.833 1.00 0.00 C ATOM 0 H PHE A 38 88.750 -4.451 -13.680 1.00 0.00 H new ATOM 0 HA PHE A 38 91.050 -5.169 -15.008 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.534 -5.711 -12.630 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.294 -6.841 -13.137 1.00 0.00 H new ATOM 0 HD1 PHE A 38 92.962 -6.137 -13.358 1.00 0.00 H new ATOM 0 HD2 PHE A 38 89.852 -9.068 -13.805 1.00 0.00 H new ATOM 0 HE1 PHE A 38 94.672 -7.916 -13.596 1.00 0.00 H new ATOM 0 HE2 PHE A 38 91.564 -10.848 -14.040 1.00 0.00 H new ATOM 0 HZ PHE A 38 93.975 -10.270 -13.936 1.00 0.00 H new ATOM 240 N ILE A 39 88.572 -7.164 -15.844 1.00 0.00 N ATOM 241 CA ILE A 39 88.174 -8.139 -16.857 1.00 0.00 C ATOM 242 C ILE A 39 88.252 -7.535 -18.255 1.00 0.00 C ATOM 243 O ILE A 39 88.513 -8.237 -19.230 1.00 0.00 O ATOM 244 CB ILE A 39 86.745 -8.642 -16.600 1.00 0.00 C ATOM 245 CG1 ILE A 39 86.551 -8.971 -15.092 1.00 0.00 C ATOM 246 CG2 ILE A 39 86.507 -9.902 -17.445 1.00 0.00 C ATOM 247 CD1 ILE A 39 85.915 -7.781 -14.351 1.00 0.00 C ATOM 0 H ILE A 39 87.852 -6.938 -15.158 1.00 0.00 H new ATOM 0 HA ILE A 39 88.866 -8.979 -16.793 1.00 0.00 H new ATOM 0 HB ILE A 39 86.030 -7.867 -16.877 1.00 0.00 H new ATOM 0 HG12 ILE A 39 85.918 -9.852 -14.986 1.00 0.00 H new ATOM 0 HG13 ILE A 39 87.513 -9.214 -14.641 1.00 0.00 H new ATOM 0 HG21 ILE A 39 85.496 -10.270 -17.272 1.00 0.00 H new ATOM 0 HG22 ILE A 39 86.630 -9.661 -18.501 1.00 0.00 H new ATOM 0 HG23 ILE A 39 87.226 -10.671 -17.162 1.00 0.00 H new ATOM 0 HD11 ILE A 39 85.789 -8.033 -13.298 1.00 0.00 H new ATOM 0 HD12 ILE A 39 86.563 -6.909 -14.440 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.943 -7.557 -14.790 1.00 0.00 H new ATOM 259 N ALA A 40 88.042 -6.254 -18.342 1.00 0.00 N ATOM 260 CA ALA A 40 88.111 -5.578 -19.627 1.00 0.00 C ATOM 261 C ALA A 40 89.559 -5.475 -20.097 1.00 0.00 C ATOM 262 O ALA A 40 89.855 -5.597 -21.281 1.00 0.00 O ATOM 263 CB ALA A 40 87.501 -4.179 -19.512 1.00 0.00 C ATOM 0 H ALA A 40 87.822 -5.650 -17.550 1.00 0.00 H new ATOM 0 HA ALA A 40 87.547 -6.158 -20.358 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.556 -3.678 -20.478 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.459 -4.261 -19.204 1.00 0.00 H new ATOM 0 HB3 ALA A 40 88.054 -3.601 -18.771 1.00 0.00 H new ATOM 269 N TRP A 41 90.433 -5.201 -19.170 1.00 0.00 N ATOM 270 CA TRP A 41 91.850 -5.013 -19.458 1.00 0.00 C ATOM 271 C TRP A 41 92.452 -6.135 -20.310 1.00 0.00 C ATOM 272 O TRP A 41 93.127 -5.870 -21.305 1.00 0.00 O ATOM 273 CB TRP A 41 92.590 -4.940 -18.125 1.00 0.00 C ATOM 274 CG TRP A 41 93.985 -4.470 -18.344 1.00 0.00 C ATOM 275 CD1 TRP A 41 94.957 -5.176 -18.961 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.581 -3.205 -17.947 1.00 0.00 C ATOM 277 NE1 TRP A 41 96.112 -4.415 -18.983 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.928 -3.192 -18.366 1.00 0.00 C ATOM 279 CE3 TRP A 41 94.083 -2.075 -17.272 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.754 -2.097 -18.125 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.915 -0.973 -17.024 1.00 0.00 C ATOM 282 CH2 TRP A 41 96.248 -0.984 -17.453 1.00 0.00 C ATOM 0 H TRP A 41 90.194 -5.099 -18.184 1.00 0.00 H new ATOM 0 HA TRP A 41 91.956 -4.096 -20.038 1.00 0.00 H new ATOM 0 HB2 TRP A 41 92.071 -4.262 -17.448 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.598 -5.921 -17.650 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.850 -6.170 -19.370 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.991 -4.719 -19.403 1.00 0.00 H new ATOM 0 HE3 TRP A 41 93.054 -2.056 -16.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.782 -2.109 -18.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 94.526 -0.113 -16.500 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.884 -0.132 -17.264 1.00 0.00 H new ATOM 293 N THR A 42 92.247 -7.351 -19.902 1.00 0.00 N ATOM 294 CA THR A 42 92.814 -8.497 -20.612 1.00 0.00 C ATOM 295 C THR A 42 92.543 -8.463 -22.119 1.00 0.00 C ATOM 296 O THR A 42 93.386 -8.897 -22.906 1.00 0.00 O ATOM 297 CB THR A 42 92.252 -9.795 -20.027 1.00 0.00 C ATOM 298 OG1 THR A 42 92.372 -10.833 -20.991 1.00 0.00 O ATOM 299 CG2 THR A 42 90.781 -9.593 -19.670 1.00 0.00 C ATOM 0 H THR A 42 91.692 -7.593 -19.081 1.00 0.00 H new ATOM 0 HA THR A 42 93.895 -8.448 -20.477 1.00 0.00 H new ATOM 0 HB THR A 42 92.808 -10.067 -19.129 1.00 0.00 H new ATOM 0 HG1 THR A 42 92.015 -11.667 -20.620 1.00 0.00 H new ATOM 0 HG21 THR A 42 90.378 -10.516 -19.253 1.00 0.00 H new ATOM 0 HG22 THR A 42 90.692 -8.793 -18.935 1.00 0.00 H new ATOM 0 HG23 THR A 42 90.222 -9.326 -20.567 1.00 0.00 H new ATOM 307 N ILE A 43 91.388 -7.999 -22.524 1.00 0.00 N ATOM 308 CA ILE A 43 91.061 -7.979 -23.953 1.00 0.00 C ATOM 309 C ILE A 43 91.902 -6.948 -24.721 1.00 0.00 C ATOM 310 O ILE A 43 92.493 -7.273 -25.748 1.00 0.00 O ATOM 311 CB ILE A 43 89.537 -7.746 -24.157 1.00 0.00 C ATOM 312 CG1 ILE A 43 89.218 -6.251 -24.364 1.00 0.00 C ATOM 313 CG2 ILE A 43 88.776 -8.260 -22.927 1.00 0.00 C ATOM 314 CD1 ILE A 43 87.702 -6.038 -24.355 1.00 0.00 C ATOM 0 H ILE A 43 90.661 -7.633 -21.909 1.00 0.00 H new ATOM 0 HA ILE A 43 91.314 -8.955 -24.368 1.00 0.00 H new ATOM 0 HB ILE A 43 89.227 -8.288 -25.050 1.00 0.00 H new ATOM 0 HG12 ILE A 43 89.682 -5.658 -23.576 1.00 0.00 H new ATOM 0 HG13 ILE A 43 89.637 -5.908 -25.310 1.00 0.00 H new ATOM 0 HG21 ILE A 43 87.707 -8.098 -23.067 1.00 0.00 H new ATOM 0 HG22 ILE A 43 88.968 -9.325 -22.799 1.00 0.00 H new ATOM 0 HG23 ILE A 43 89.112 -7.722 -22.040 1.00 0.00 H new ATOM 0 HD11 ILE A 43 87.482 -4.980 -24.502 1.00 0.00 H new ATOM 0 HD12 ILE A 43 87.248 -6.618 -25.159 1.00 0.00 H new ATOM 0 HD13 ILE A 43 87.294 -6.364 -23.398 1.00 0.00 H new ATOM 326 N GLY A 44 91.950 -5.733 -24.239 1.00 0.00 N ATOM 327 CA GLY A 44 92.721 -4.682 -24.912 1.00 0.00 C ATOM 328 C GLY A 44 94.207 -5.029 -24.956 1.00 0.00 C ATOM 329 O GLY A 44 94.912 -4.685 -25.904 1.00 0.00 O ATOM 0 H GLY A 44 91.473 -5.433 -23.389 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.347 -4.546 -25.927 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.581 -3.735 -24.391 1.00 0.00 H new ATOM 333 N HIS A 45 94.659 -5.696 -23.936 1.00 0.00 N ATOM 334 CA HIS A 45 96.058 -6.092 -23.835 1.00 0.00 C ATOM 335 C HIS A 45 96.534 -6.751 -25.129 1.00 0.00 C ATOM 336 O HIS A 45 97.729 -6.756 -25.431 1.00 0.00 O ATOM 337 CB HIS A 45 96.239 -7.055 -22.666 1.00 0.00 C ATOM 338 CG HIS A 45 97.707 -7.289 -22.444 1.00 0.00 C ATOM 339 ND1 HIS A 45 98.774 -6.427 -22.406 1.00 0.00 N flip ATOM 340 CD2 HIS A 45 98.233 -8.553 -22.227 1.00 0.00 C flip ATOM 341 CE1 HIS A 45 99.943 -7.139 -22.167 1.00 0.00 C flip ATOM 342 NE2 HIS A 45 99.562 -8.415 -22.068 1.00 0.00 N flip ATOM 0 H HIS A 45 94.082 -5.987 -23.146 1.00 0.00 H new ATOM 0 HA HIS A 45 96.657 -5.197 -23.666 1.00 0.00 H new ATOM 0 HB2 HIS A 45 95.784 -6.643 -21.765 1.00 0.00 H new ATOM 0 HB3 HIS A 45 95.735 -7.999 -22.875 1.00 0.00 H new ATOM 0 HD1 HIS A 45 98.718 -5.417 -22.534 1.00 0.00 H new ATOM 0 HD2 HIS A 45 97.678 -9.479 -22.192 1.00 0.00 H new ATOM 0 HE1 HIS A 45 100.945 -6.745 -22.080 1.00 0.00 H new ATOM 351 N LEU A 46 95.620 -7.334 -25.853 1.00 0.00 N ATOM 352 CA LEU A 46 95.960 -8.039 -27.086 1.00 0.00 C ATOM 353 C LEU A 46 96.916 -7.227 -27.968 1.00 0.00 C ATOM 354 O LEU A 46 97.699 -7.804 -28.722 1.00 0.00 O ATOM 355 CB LEU A 46 94.662 -8.382 -27.862 1.00 0.00 C ATOM 356 CG LEU A 46 94.234 -7.220 -28.807 1.00 0.00 C ATOM 357 CD1 LEU A 46 94.853 -7.405 -30.213 1.00 0.00 C ATOM 358 CD2 LEU A 46 92.703 -7.174 -28.936 1.00 0.00 C ATOM 0 H LEU A 46 94.627 -7.342 -25.621 1.00 0.00 H new ATOM 0 HA LEU A 46 96.479 -8.959 -26.817 1.00 0.00 H new ATOM 0 HB2 LEU A 46 94.816 -9.289 -28.447 1.00 0.00 H new ATOM 0 HB3 LEU A 46 93.859 -8.591 -27.155 1.00 0.00 H new ATOM 0 HG LEU A 46 94.593 -6.286 -28.375 1.00 0.00 H new ATOM 0 HD11 LEU A 46 94.542 -6.583 -30.858 1.00 0.00 H new ATOM 0 HD12 LEU A 46 95.940 -7.413 -30.134 1.00 0.00 H new ATOM 0 HD13 LEU A 46 94.513 -8.349 -30.639 1.00 0.00 H new ATOM 0 HD21 LEU A 46 92.418 -6.357 -29.599 1.00 0.00 H new ATOM 0 HD22 LEU A 46 92.344 -8.117 -29.347 1.00 0.00 H new ATOM 0 HD23 LEU A 46 92.260 -7.015 -27.953 1.00 0.00 H new ATOM 370 N ASN A 47 96.851 -5.923 -27.895 1.00 0.00 N ATOM 371 CA ASN A 47 97.728 -5.105 -28.728 1.00 0.00 C ATOM 372 C ASN A 47 99.195 -5.405 -28.415 1.00 0.00 C ATOM 373 O ASN A 47 99.978 -5.712 -29.312 1.00 0.00 O ATOM 374 CB ASN A 47 97.440 -3.622 -28.482 1.00 0.00 C ATOM 375 CG ASN A 47 95.962 -3.333 -28.723 1.00 0.00 C ATOM 376 OD1 ASN A 47 95.336 -3.968 -29.572 1.00 0.00 O ATOM 377 ND2 ASN A 47 95.363 -2.409 -28.022 1.00 0.00 N ATOM 0 H ASN A 47 96.219 -5.403 -27.286 1.00 0.00 H new ATOM 0 HA ASN A 47 97.538 -5.343 -29.775 1.00 0.00 H new ATOM 0 HB2 ASN A 47 97.710 -3.355 -27.460 1.00 0.00 H new ATOM 0 HB3 ASN A 47 98.052 -3.009 -29.144 1.00 0.00 H new ATOM 0 HD21 ASN A 47 94.374 -2.212 -28.177 1.00 0.00 H new ATOM 0 HD22 ASN A 47 95.884 -1.884 -27.319 1.00 0.00 H new ATOM 384 N GLN A 48 99.549 -5.316 -27.162 1.00 0.00 N ATOM 385 CA GLN A 48 100.920 -5.581 -26.747 1.00 0.00 C ATOM 386 C GLN A 48 101.391 -6.925 -27.301 1.00 0.00 C ATOM 387 O GLN A 48 102.451 -7.013 -27.920 1.00 0.00 O ATOM 388 CB GLN A 48 101.014 -5.586 -25.216 1.00 0.00 C ATOM 389 CG GLN A 48 102.485 -5.582 -24.775 1.00 0.00 C ATOM 390 CD GLN A 48 103.080 -6.979 -24.905 1.00 0.00 C ATOM 391 OE1 GLN A 48 103.814 -7.273 -25.943 1.00 0.00 O flip ATOM 392 NE2 GLN A 48 102.874 -7.826 -24.036 1.00 0.00 N flip ATOM 0 H GLN A 48 98.916 -5.063 -26.403 1.00 0.00 H new ATOM 0 HA GLN A 48 101.562 -4.793 -27.141 1.00 0.00 H new ATOM 0 HB2 GLN A 48 100.503 -4.713 -24.810 1.00 0.00 H new ATOM 0 HB3 GLN A 48 100.509 -6.466 -24.816 1.00 0.00 H new ATOM 0 HG2 GLN A 48 103.053 -4.879 -25.385 1.00 0.00 H new ATOM 0 HG3 GLN A 48 102.561 -5.242 -23.742 1.00 0.00 H new ATOM 0 HE21 GLN A 48 102.300 -7.595 -23.225 1.00 0.00 H new ATOM 0 HE22 GLN A 48 103.277 -8.759 -24.127 1.00 0.00 H new ATOM 401 N ILE A 49 100.615 -7.952 -27.072 1.00 0.00 N ATOM 402 CA ILE A 49 100.967 -9.289 -27.546 1.00 0.00 C ATOM 403 C ILE A 49 101.188 -9.295 -29.059 1.00 0.00 C ATOM 404 O ILE A 49 102.186 -9.828 -29.542 1.00 0.00 O ATOM 405 CB ILE A 49 99.849 -10.278 -27.201 1.00 0.00 C ATOM 406 CG1 ILE A 49 99.473 -10.152 -25.717 1.00 0.00 C ATOM 407 CG2 ILE A 49 100.320 -11.705 -27.491 1.00 0.00 C ATOM 408 CD1 ILE A 49 100.722 -10.265 -24.837 1.00 0.00 C ATOM 0 H ILE A 49 99.733 -7.901 -26.562 1.00 0.00 H new ATOM 0 HA ILE A 49 101.893 -9.586 -27.053 1.00 0.00 H new ATOM 0 HB ILE A 49 98.974 -10.052 -27.810 1.00 0.00 H new ATOM 0 HG12 ILE A 49 98.981 -9.195 -25.540 1.00 0.00 H new ATOM 0 HG13 ILE A 49 98.760 -10.931 -25.449 1.00 0.00 H new ATOM 0 HG21 ILE A 49 99.524 -12.408 -27.245 1.00 0.00 H new ATOM 0 HG22 ILE A 49 100.572 -11.797 -28.547 1.00 0.00 H new ATOM 0 HG23 ILE A 49 101.200 -11.928 -26.887 1.00 0.00 H new ATOM 0 HD11 ILE A 49 100.438 -10.174 -23.789 1.00 0.00 H new ATOM 0 HD12 ILE A 49 101.197 -11.232 -25.001 1.00 0.00 H new ATOM 0 HD13 ILE A 49 101.421 -9.469 -25.094 1.00 0.00 H new ATOM 420 N LYS A 50 100.271 -8.718 -29.788 1.00 0.00 N ATOM 421 CA LYS A 50 100.386 -8.676 -31.242 1.00 0.00 C ATOM 422 C LYS A 50 101.466 -7.681 -31.662 1.00 0.00 C ATOM 423 O LYS A 50 102.525 -8.069 -32.154 1.00 0.00 O ATOM 424 CB LYS A 50 99.032 -8.281 -31.861 1.00 0.00 C ATOM 425 CG LYS A 50 98.905 -8.852 -33.281 1.00 0.00 C ATOM 426 CD LYS A 50 100.071 -8.364 -34.147 1.00 0.00 C ATOM 427 CE LYS A 50 99.743 -8.593 -35.625 1.00 0.00 C ATOM 428 NZ LYS A 50 98.566 -7.762 -36.007 1.00 0.00 N ATOM 0 H LYS A 50 99.436 -8.269 -29.412 1.00 0.00 H new ATOM 0 HA LYS A 50 100.668 -9.665 -31.602 1.00 0.00 H new ATOM 0 HB2 LYS A 50 98.218 -8.653 -31.239 1.00 0.00 H new ATOM 0 HB3 LYS A 50 98.941 -7.195 -31.889 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.899 -9.941 -33.245 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.958 -8.542 -33.723 1.00 0.00 H new ATOM 0 HD2 LYS A 50 100.255 -7.305 -33.965 1.00 0.00 H new ATOM 0 HD3 LYS A 50 100.984 -8.897 -33.880 1.00 0.00 H new ATOM 0 HE2 LYS A 50 100.602 -8.333 -36.244 1.00 0.00 H new ATOM 0 HE3 LYS A 50 99.530 -9.647 -35.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.636 -7.503 -37.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.692 -8.304 -35.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.548 -6.899 -35.427 1.00 0.00 H new ATOM 442 N ARG A 51 101.193 -6.419 -31.469 1.00 0.00 N ATOM 443 CA ARG A 51 102.147 -5.378 -31.832 1.00 0.00 C ATOM 444 C ARG A 51 103.277 -5.311 -30.809 1.00 0.00 C ATOM 445 O ARG A 51 103.035 -5.152 -29.612 1.00 0.00 O ATOM 446 CB ARG A 51 101.437 -4.025 -31.903 1.00 0.00 C ATOM 447 CG ARG A 51 102.409 -2.960 -32.413 1.00 0.00 C ATOM 448 CD ARG A 51 101.658 -1.644 -32.625 1.00 0.00 C ATOM 449 NE ARG A 51 102.490 -0.702 -33.363 1.00 0.00 N ATOM 450 CZ ARG A 51 102.012 0.443 -33.769 1.00 0.00 C ATOM 451 NH1 ARG A 51 100.773 0.761 -33.513 1.00 0.00 N ATOM 452 NH2 ARG A 51 102.775 1.269 -34.431 1.00 0.00 N ATOM 0 H ARG A 51 100.322 -6.076 -31.064 1.00 0.00 H new ATOM 0 HA ARG A 51 102.569 -5.618 -32.808 1.00 0.00 H new ATOM 0 HB2 ARG A 51 100.574 -4.091 -32.565 1.00 0.00 H new ATOM 0 HB3 ARG A 51 101.062 -3.748 -30.918 1.00 0.00 H new ATOM 0 HG2 ARG A 51 103.218 -2.818 -31.697 1.00 0.00 H new ATOM 0 HG3 ARG A 51 102.865 -3.286 -33.348 1.00 0.00 H new ATOM 0 HD2 ARG A 51 100.733 -1.829 -33.171 1.00 0.00 H new ATOM 0 HD3 ARG A 51 101.379 -1.217 -31.662 1.00 0.00 H new ATOM 0 HE ARG A 51 103.461 -0.941 -33.565 1.00 0.00 H new ATOM 0 HH11 ARG A 51 100.177 0.115 -32.995 1.00 0.00 H new ATOM 0 HH12 ARG A 51 100.400 1.656 -33.830 1.00 0.00 H new ATOM 0 HH21 ARG A 51 103.744 1.020 -34.631 1.00 0.00 H new ATOM 0 HH22 ARG A 51 102.403 2.164 -34.749 1.00 0.00 H new ATOM 466 N GLY A 52 104.489 -5.431 -31.279 1.00 0.00 N ATOM 467 CA GLY A 52 105.650 -5.383 -30.397 1.00 0.00 C ATOM 468 C GLY A 52 106.887 -5.938 -31.094 1.00 0.00 C ATOM 0 H GLY A 52 104.710 -5.563 -32.266 1.00 0.00 H new ATOM 0 HA2 GLY A 52 105.833 -4.354 -30.087 1.00 0.00 H new ATOM 0 HA3 GLY A 52 105.449 -5.958 -29.493 1.00 0.00 H new TER 472 GLY A 52 ATOM 473 N SER B 23 86.121 17.651 5.749 1.00 0.00 N ATOM 474 CA SER B 23 85.156 18.032 4.678 1.00 0.00 C ATOM 475 C SER B 23 85.824 17.875 3.316 1.00 0.00 C ATOM 476 O SER B 23 86.182 18.862 2.672 1.00 0.00 O ATOM 477 CB SER B 23 84.720 19.483 4.884 1.00 0.00 C ATOM 478 OG SER B 23 85.768 20.353 4.473 1.00 0.00 O ATOM 0 HA SER B 23 84.280 17.385 4.722 1.00 0.00 H new ATOM 0 HB2 SER B 23 83.816 19.688 4.310 1.00 0.00 H new ATOM 0 HB3 SER B 23 84.478 19.657 5.933 1.00 0.00 H new ATOM 0 HG SER B 23 85.873 20.302 3.500 1.00 0.00 H new ATOM 483 N ASP B 24 85.991 16.649 2.893 1.00 0.00 N ATOM 484 CA ASP B 24 86.621 16.368 1.608 1.00 0.00 C ATOM 485 C ASP B 24 86.228 14.973 1.122 1.00 0.00 C ATOM 486 O ASP B 24 87.016 14.034 1.219 1.00 0.00 O ATOM 487 CB ASP B 24 88.143 16.446 1.748 1.00 0.00 C ATOM 488 CG ASP B 24 88.562 17.867 2.109 1.00 0.00 C ATOM 489 OD1 ASP B 24 88.216 18.772 1.367 1.00 0.00 O ATOM 490 OD2 ASP B 24 89.222 18.030 3.121 1.00 0.00 O ATOM 0 H ASP B 24 85.702 15.821 3.413 1.00 0.00 H new ATOM 0 HA ASP B 24 86.283 17.109 0.883 1.00 0.00 H new ATOM 0 HB2 ASP B 24 88.482 15.752 2.517 1.00 0.00 H new ATOM 0 HB3 ASP B 24 88.618 16.144 0.815 1.00 0.00 H new ATOM 495 N PRO B 25 85.027 14.829 0.615 1.00 0.00 N ATOM 496 CA PRO B 25 84.506 13.519 0.105 1.00 0.00 C ATOM 497 C PRO B 25 85.441 12.873 -0.925 1.00 0.00 C ATOM 498 O PRO B 25 85.138 12.816 -2.115 1.00 0.00 O ATOM 499 CB PRO B 25 83.142 13.888 -0.511 1.00 0.00 C ATOM 500 CG PRO B 25 82.734 15.150 0.179 1.00 0.00 C ATOM 501 CD PRO B 25 84.030 15.903 0.476 1.00 0.00 C ATOM 0 HA PRO B 25 84.428 12.772 0.895 1.00 0.00 H new ATOM 0 HB2 PRO B 25 83.222 14.035 -1.588 1.00 0.00 H new ATOM 0 HB3 PRO B 25 82.410 13.096 -0.351 1.00 0.00 H new ATOM 0 HG2 PRO B 25 82.073 15.744 -0.452 1.00 0.00 H new ATOM 0 HG3 PRO B 25 82.188 14.934 1.098 1.00 0.00 H new ATOM 0 HD2 PRO B 25 84.289 16.589 -0.330 1.00 0.00 H new ATOM 0 HD3 PRO B 25 83.950 16.497 1.387 1.00 0.00 H new ATOM 509 N LEU B 26 86.558 12.394 -0.454 1.00 0.00 N ATOM 510 CA LEU B 26 87.539 11.743 -1.317 1.00 0.00 C ATOM 511 C LEU B 26 87.014 10.396 -1.796 1.00 0.00 C ATOM 512 O LEU B 26 87.225 10.003 -2.943 1.00 0.00 O ATOM 513 CB LEU B 26 88.846 11.531 -0.537 1.00 0.00 C ATOM 514 CG LEU B 26 89.640 12.853 -0.444 1.00 0.00 C ATOM 515 CD1 LEU B 26 90.514 12.838 0.812 1.00 0.00 C ATOM 516 CD2 LEU B 26 90.527 13.020 -1.685 1.00 0.00 C ATOM 0 H LEU B 26 86.825 12.436 0.529 1.00 0.00 H new ATOM 0 HA LEU B 26 87.723 12.379 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU B 26 88.623 11.162 0.464 1.00 0.00 H new ATOM 0 HB3 LEU B 26 89.451 10.770 -1.030 1.00 0.00 H new ATOM 0 HG LEU B 26 88.940 13.687 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU B 26 91.074 13.771 0.877 1.00 0.00 H new ATOM 0 HD12 LEU B 26 89.882 12.732 1.694 1.00 0.00 H new ATOM 0 HD13 LEU B 26 91.210 12.000 0.761 1.00 0.00 H new ATOM 0 HD21 LEU B 26 91.083 13.954 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU B 26 91.226 12.186 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU B 26 89.903 13.039 -2.578 1.00 0.00 H new ATOM 528 N VAL B 27 86.369 9.693 -0.912 1.00 0.00 N ATOM 529 CA VAL B 27 85.847 8.376 -1.230 1.00 0.00 C ATOM 530 C VAL B 27 84.907 8.417 -2.431 1.00 0.00 C ATOM 531 O VAL B 27 85.066 7.643 -3.375 1.00 0.00 O ATOM 532 CB VAL B 27 85.093 7.812 -0.025 1.00 0.00 C ATOM 533 CG1 VAL B 27 84.793 6.343 -0.280 1.00 0.00 C ATOM 534 CG2 VAL B 27 85.943 7.922 1.247 1.00 0.00 C ATOM 0 H VAL B 27 86.186 10.003 0.042 1.00 0.00 H new ATOM 0 HA VAL B 27 86.694 7.737 -1.478 1.00 0.00 H new ATOM 0 HB VAL B 27 84.173 8.381 0.112 1.00 0.00 H new ATOM 0 HG11 VAL B 27 84.255 5.928 0.572 1.00 0.00 H new ATOM 0 HG12 VAL B 27 84.181 6.247 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL B 27 85.728 5.799 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL B 27 85.388 7.515 2.092 1.00 0.00 H new ATOM 0 HG22 VAL B 27 86.868 7.360 1.116 1.00 0.00 H new ATOM 0 HG23 VAL B 27 86.178 8.969 1.438 1.00 0.00 H new ATOM 544 N VAL B 28 83.959 9.309 -2.406 1.00 0.00 N ATOM 545 CA VAL B 28 83.013 9.456 -3.506 1.00 0.00 C ATOM 546 C VAL B 28 83.687 10.069 -4.729 1.00 0.00 C ATOM 547 O VAL B 28 83.224 9.908 -5.859 1.00 0.00 O ATOM 548 CB VAL B 28 81.830 10.323 -3.068 1.00 0.00 C ATOM 549 CG1 VAL B 28 82.321 11.731 -2.734 1.00 0.00 C ATOM 550 CG2 VAL B 28 80.804 10.396 -4.199 1.00 0.00 C ATOM 0 H VAL B 28 83.809 9.958 -1.633 1.00 0.00 H new ATOM 0 HA VAL B 28 82.650 8.465 -3.778 1.00 0.00 H new ATOM 0 HB VAL B 28 81.367 9.882 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL B 28 81.477 12.346 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL B 28 83.051 11.680 -1.926 1.00 0.00 H new ATOM 0 HG13 VAL B 28 82.786 12.173 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL B 28 79.962 11.013 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL B 28 81.267 10.834 -5.083 1.00 0.00 H new ATOM 0 HG23 VAL B 28 80.450 9.392 -4.435 1.00 0.00 H new ATOM 560 N ALA B 29 84.758 10.776 -4.491 1.00 0.00 N ATOM 561 CA ALA B 29 85.492 11.432 -5.565 1.00 0.00 C ATOM 562 C ALA B 29 86.068 10.427 -6.563 1.00 0.00 C ATOM 563 O ALA B 29 86.145 10.722 -7.751 1.00 0.00 O ATOM 564 CB ALA B 29 86.626 12.282 -4.986 1.00 0.00 C ATOM 0 H ALA B 29 85.152 10.919 -3.561 1.00 0.00 H new ATOM 0 HA ALA B 29 84.785 12.068 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA B 29 87.168 12.768 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA B 29 86.210 13.040 -4.323 1.00 0.00 H new ATOM 0 HB3 ALA B 29 87.309 11.644 -4.425 1.00 0.00 H new ATOM 570 N ALA B 30 86.468 9.265 -6.106 1.00 0.00 N ATOM 571 CA ALA B 30 87.020 8.287 -7.039 1.00 0.00 C ATOM 572 C ALA B 30 85.917 7.701 -7.926 1.00 0.00 C ATOM 573 O ALA B 30 86.034 7.688 -9.152 1.00 0.00 O ATOM 574 CB ALA B 30 87.745 7.192 -6.280 1.00 0.00 C ATOM 0 H ALA B 30 86.429 8.971 -5.130 1.00 0.00 H new ATOM 0 HA ALA B 30 87.738 8.790 -7.687 1.00 0.00 H new ATOM 0 HB1 ALA B 30 88.152 6.468 -6.986 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.557 7.629 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA B 30 87.047 6.691 -5.609 1.00 0.00 H new ATOM 580 N SER B 31 84.877 7.215 -7.307 1.00 0.00 N ATOM 581 CA SER B 31 83.755 6.607 -8.034 1.00 0.00 C ATOM 582 C SER B 31 83.303 7.466 -9.222 1.00 0.00 C ATOM 583 O SER B 31 82.757 6.948 -10.197 1.00 0.00 O ATOM 584 CB SER B 31 82.568 6.428 -7.088 1.00 0.00 C ATOM 585 OG SER B 31 81.424 6.040 -7.838 1.00 0.00 O ATOM 0 H SER B 31 84.766 7.220 -6.293 1.00 0.00 H new ATOM 0 HA SER B 31 84.100 5.646 -8.415 1.00 0.00 H new ATOM 0 HB2 SER B 31 82.798 5.673 -6.337 1.00 0.00 H new ATOM 0 HB3 SER B 31 82.370 7.358 -6.555 1.00 0.00 H new ATOM 0 HG SER B 31 80.661 5.923 -7.234 1.00 0.00 H new ATOM 591 N ILE B 32 83.530 8.744 -9.141 1.00 0.00 N ATOM 592 CA ILE B 32 83.133 9.633 -10.237 1.00 0.00 C ATOM 593 C ILE B 32 83.994 9.348 -11.479 1.00 0.00 C ATOM 594 O ILE B 32 83.501 9.361 -12.606 1.00 0.00 O ATOM 595 CB ILE B 32 83.215 11.122 -9.809 1.00 0.00 C ATOM 596 CG1 ILE B 32 82.132 11.935 -10.542 1.00 0.00 C ATOM 597 CG2 ILE B 32 84.588 11.723 -10.137 1.00 0.00 C ATOM 598 CD1 ILE B 32 82.254 13.413 -10.162 1.00 0.00 C ATOM 0 H ILE B 32 83.979 9.205 -8.350 1.00 0.00 H new ATOM 0 HA ILE B 32 82.092 9.435 -10.491 1.00 0.00 H new ATOM 0 HB ILE B 32 83.060 11.167 -8.731 1.00 0.00 H new ATOM 0 HG12 ILE B 32 82.241 11.816 -11.620 1.00 0.00 H new ATOM 0 HG13 ILE B 32 81.142 11.562 -10.279 1.00 0.00 H new ATOM 0 HG21 ILE B 32 84.612 12.767 -9.825 1.00 0.00 H new ATOM 0 HG22 ILE B 32 85.364 11.168 -9.609 1.00 0.00 H new ATOM 0 HG23 ILE B 32 84.765 11.661 -11.211 1.00 0.00 H new ATOM 0 HD11 ILE B 32 81.487 13.987 -10.682 1.00 0.00 H new ATOM 0 HD12 ILE B 32 82.123 13.524 -9.086 1.00 0.00 H new ATOM 0 HD13 ILE B 32 83.239 13.782 -10.448 1.00 0.00 H new ATOM 610 N ILE B 33 85.248 9.054 -11.249 1.00 0.00 N ATOM 611 CA ILE B 33 86.195 8.711 -12.313 1.00 0.00 C ATOM 612 C ILE B 33 85.929 7.302 -12.849 1.00 0.00 C ATOM 613 O ILE B 33 86.303 6.959 -13.972 1.00 0.00 O ATOM 614 CB ILE B 33 87.639 8.790 -11.792 1.00 0.00 C ATOM 615 CG1 ILE B 33 87.778 9.996 -10.850 1.00 0.00 C ATOM 616 CG2 ILE B 33 88.599 8.938 -12.980 1.00 0.00 C ATOM 617 CD1 ILE B 33 89.258 10.293 -10.584 1.00 0.00 C ATOM 0 H ILE B 33 85.657 9.042 -10.315 1.00 0.00 H new ATOM 0 HA ILE B 33 86.060 9.429 -13.122 1.00 0.00 H new ATOM 0 HB ILE B 33 87.884 7.880 -11.244 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.298 10.869 -11.292 1.00 0.00 H new ATOM 0 HG13 ILE B 33 87.266 9.793 -9.910 1.00 0.00 H new ATOM 0 HG21 ILE B 33 89.624 8.994 -12.614 1.00 0.00 H new ATOM 0 HG22 ILE B 33 88.496 8.077 -13.640 1.00 0.00 H new ATOM 0 HG23 ILE B 33 88.359 9.848 -13.530 1.00 0.00 H new ATOM 0 HD11 ILE B 33 89.343 11.150 -9.915 1.00 0.00 H new ATOM 0 HD12 ILE B 33 89.726 9.424 -10.122 1.00 0.00 H new ATOM 0 HD13 ILE B 33 89.759 10.517 -11.526 1.00 0.00 H new ATOM 629 N GLY B 34 85.322 6.504 -12.019 1.00 0.00 N ATOM 630 CA GLY B 34 85.030 5.116 -12.361 1.00 0.00 C ATOM 631 C GLY B 34 84.190 4.990 -13.633 1.00 0.00 C ATOM 632 O GLY B 34 84.548 4.247 -14.548 1.00 0.00 O ATOM 0 H GLY B 34 85.011 6.782 -11.088 1.00 0.00 H new ATOM 0 HA2 GLY B 34 85.966 4.573 -12.492 1.00 0.00 H new ATOM 0 HA3 GLY B 34 84.502 4.645 -11.532 1.00 0.00 H new ATOM 636 N ILE B 35 83.093 5.689 -13.680 1.00 0.00 N ATOM 637 CA ILE B 35 82.208 5.628 -14.843 1.00 0.00 C ATOM 638 C ILE B 35 82.812 6.332 -16.067 1.00 0.00 C ATOM 639 O ILE B 35 82.643 5.871 -17.195 1.00 0.00 O ATOM 640 CB ILE B 35 80.839 6.228 -14.469 1.00 0.00 C ATOM 641 CG1 ILE B 35 80.057 6.629 -15.734 1.00 0.00 C ATOM 642 CG2 ILE B 35 81.051 7.447 -13.571 1.00 0.00 C ATOM 643 CD1 ILE B 35 78.570 6.779 -15.396 1.00 0.00 C ATOM 0 H ILE B 35 82.777 6.311 -12.936 1.00 0.00 H new ATOM 0 HA ILE B 35 82.079 4.583 -15.126 1.00 0.00 H new ATOM 0 HB ILE B 35 80.256 5.478 -13.934 1.00 0.00 H new ATOM 0 HG12 ILE B 35 80.446 7.566 -16.132 1.00 0.00 H new ATOM 0 HG13 ILE B 35 80.189 5.875 -16.509 1.00 0.00 H new ATOM 0 HG21 ILE B 35 80.085 7.875 -13.304 1.00 0.00 H new ATOM 0 HG22 ILE B 35 81.577 7.145 -12.665 1.00 0.00 H new ATOM 0 HG23 ILE B 35 81.643 8.192 -14.103 1.00 0.00 H new ATOM 0 HD11 ILE B 35 78.020 7.063 -16.293 1.00 0.00 H new ATOM 0 HD12 ILE B 35 78.185 5.831 -15.019 1.00 0.00 H new ATOM 0 HD13 ILE B 35 78.446 7.550 -14.635 1.00 0.00 H new ATOM 655 N LEU B 36 83.480 7.436 -15.850 1.00 0.00 N ATOM 656 CA LEU B 36 84.072 8.190 -16.959 1.00 0.00 C ATOM 657 C LEU B 36 85.021 7.306 -17.769 1.00 0.00 C ATOM 658 O LEU B 36 84.920 7.219 -18.992 1.00 0.00 O ATOM 659 CB LEU B 36 84.851 9.384 -16.388 1.00 0.00 C ATOM 660 CG LEU B 36 85.286 10.342 -17.516 1.00 0.00 C ATOM 661 CD1 LEU B 36 84.135 11.289 -17.886 1.00 0.00 C ATOM 662 CD2 LEU B 36 86.487 11.174 -17.042 1.00 0.00 C ATOM 0 H LEU B 36 83.635 7.842 -14.927 1.00 0.00 H new ATOM 0 HA LEU B 36 83.276 8.537 -17.618 1.00 0.00 H new ATOM 0 HB2 LEU B 36 84.230 9.919 -15.669 1.00 0.00 H new ATOM 0 HB3 LEU B 36 85.728 9.027 -15.849 1.00 0.00 H new ATOM 0 HG LEU B 36 85.560 9.753 -18.392 1.00 0.00 H new ATOM 0 HD11 LEU B 36 84.457 11.959 -18.683 1.00 0.00 H new ATOM 0 HD12 LEU B 36 83.279 10.706 -18.226 1.00 0.00 H new ATOM 0 HD13 LEU B 36 83.851 11.875 -17.012 1.00 0.00 H new ATOM 0 HD21 LEU B 36 86.797 11.852 -17.837 1.00 0.00 H new ATOM 0 HD22 LEU B 36 86.205 11.752 -16.162 1.00 0.00 H new ATOM 0 HD23 LEU B 36 87.313 10.509 -16.790 1.00 0.00 H new ATOM 674 N HIS B 37 85.931 6.683 -17.084 1.00 0.00 N ATOM 675 CA HIS B 37 86.907 5.823 -17.746 1.00 0.00 C ATOM 676 C HIS B 37 86.208 4.651 -18.441 1.00 0.00 C ATOM 677 O HIS B 37 86.704 4.121 -19.435 1.00 0.00 O ATOM 678 CB HIS B 37 87.972 5.329 -16.744 1.00 0.00 C ATOM 679 CG HIS B 37 87.505 4.115 -15.978 1.00 0.00 C ATOM 680 ND1 HIS B 37 87.000 2.982 -16.602 1.00 0.00 N ATOM 681 CD2 HIS B 37 87.484 3.838 -14.634 1.00 0.00 C ATOM 682 CE1 HIS B 37 86.698 2.090 -15.644 1.00 0.00 C ATOM 683 NE2 HIS B 37 86.973 2.559 -14.426 1.00 0.00 N ATOM 0 H HIS B 37 86.031 6.743 -16.071 1.00 0.00 H new ATOM 0 HA HIS B 37 87.419 6.407 -18.510 1.00 0.00 H new ATOM 0 HB2 HIS B 37 88.890 5.089 -17.280 1.00 0.00 H new ATOM 0 HB3 HIS B 37 88.211 6.130 -16.044 1.00 0.00 H new ATOM 0 HD2 HIS B 37 87.814 4.510 -13.855 1.00 0.00 H new ATOM 0 HE1 HIS B 37 86.283 1.112 -15.837 1.00 0.00 H new ATOM 0 HE2 HIS B 37 86.838 2.083 -13.534 1.00 0.00 H new ATOM 692 N PHE B 38 85.088 4.250 -17.903 1.00 0.00 N ATOM 693 CA PHE B 38 84.336 3.124 -18.454 1.00 0.00 C ATOM 694 C PHE B 38 83.694 3.445 -19.809 1.00 0.00 C ATOM 695 O PHE B 38 83.705 2.608 -20.709 1.00 0.00 O ATOM 696 CB PHE B 38 83.248 2.693 -17.467 1.00 0.00 C ATOM 697 CG PHE B 38 82.580 1.439 -17.978 1.00 0.00 C ATOM 698 CD1 PHE B 38 81.589 1.530 -18.963 1.00 0.00 C ATOM 699 CD2 PHE B 38 82.950 0.188 -17.470 1.00 0.00 C ATOM 700 CE1 PHE B 38 80.970 0.369 -19.442 1.00 0.00 C ATOM 701 CE2 PHE B 38 82.329 -0.972 -17.948 1.00 0.00 C ATOM 702 CZ PHE B 38 81.340 -0.881 -18.934 1.00 0.00 C ATOM 0 H PHE B 38 84.664 4.679 -17.081 1.00 0.00 H new ATOM 0 HA PHE B 38 85.049 2.315 -18.614 1.00 0.00 H new ATOM 0 HB2 PHE B 38 83.683 2.512 -16.484 1.00 0.00 H new ATOM 0 HB3 PHE B 38 82.512 3.488 -17.349 1.00 0.00 H new ATOM 0 HD1 PHE B 38 81.302 2.495 -19.353 1.00 0.00 H new ATOM 0 HD2 PHE B 38 83.714 0.118 -16.710 1.00 0.00 H new ATOM 0 HE1 PHE B 38 80.207 0.438 -20.203 1.00 0.00 H new ATOM 0 HE2 PHE B 38 82.613 -1.937 -17.556 1.00 0.00 H new ATOM 0 HZ PHE B 38 80.862 -1.776 -19.303 1.00 0.00 H new ATOM 712 N ILE B 39 83.119 4.611 -19.951 1.00 0.00 N ATOM 713 CA ILE B 39 82.459 4.967 -21.212 1.00 0.00 C ATOM 714 C ILE B 39 83.462 5.184 -22.341 1.00 0.00 C ATOM 715 O ILE B 39 83.204 4.813 -23.483 1.00 0.00 O ATOM 716 CB ILE B 39 81.597 6.221 -21.032 1.00 0.00 C ATOM 717 CG1 ILE B 39 82.415 7.322 -20.350 1.00 0.00 C ATOM 718 CG2 ILE B 39 80.380 5.887 -20.167 1.00 0.00 C ATOM 719 CD1 ILE B 39 81.633 8.637 -20.384 1.00 0.00 C ATOM 0 H ILE B 39 83.086 5.331 -19.229 1.00 0.00 H new ATOM 0 HA ILE B 39 81.822 4.127 -21.489 1.00 0.00 H new ATOM 0 HB ILE B 39 81.267 6.569 -22.011 1.00 0.00 H new ATOM 0 HG12 ILE B 39 82.632 7.042 -19.319 1.00 0.00 H new ATOM 0 HG13 ILE B 39 83.373 7.444 -20.855 1.00 0.00 H new ATOM 0 HG21 ILE B 39 79.768 6.780 -20.040 1.00 0.00 H new ATOM 0 HG22 ILE B 39 79.791 5.109 -20.653 1.00 0.00 H new ATOM 0 HG23 ILE B 39 80.713 5.534 -19.191 1.00 0.00 H new ATOM 0 HD11 ILE B 39 82.216 9.420 -19.898 1.00 0.00 H new ATOM 0 HD12 ILE B 39 81.439 8.918 -21.419 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.686 8.511 -19.859 1.00 0.00 H new ATOM 731 N ALA B 40 84.583 5.765 -22.032 1.00 0.00 N ATOM 732 CA ALA B 40 85.608 6.003 -23.043 1.00 0.00 C ATOM 733 C ALA B 40 86.243 4.679 -23.464 1.00 0.00 C ATOM 734 O ALA B 40 86.738 4.538 -24.580 1.00 0.00 O ATOM 735 CB ALA B 40 86.684 6.929 -22.477 1.00 0.00 C ATOM 0 H ALA B 40 84.824 6.087 -21.095 1.00 0.00 H new ATOM 0 HA ALA B 40 85.147 6.471 -23.913 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.448 7.105 -23.234 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.232 7.879 -22.190 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.140 6.465 -21.602 1.00 0.00 H new ATOM 741 N TRP B 41 86.251 3.749 -22.548 1.00 0.00 N ATOM 742 CA TRP B 41 86.852 2.442 -22.760 1.00 0.00 C ATOM 743 C TRP B 41 86.402 1.788 -24.065 1.00 0.00 C ATOM 744 O TRP B 41 87.232 1.317 -24.843 1.00 0.00 O ATOM 745 CB TRP B 41 86.454 1.545 -21.587 1.00 0.00 C ATOM 746 CG TRP B 41 87.232 0.273 -21.618 1.00 0.00 C ATOM 747 CD1 TRP B 41 87.141 -0.684 -22.574 1.00 0.00 C ATOM 748 CD2 TRP B 41 88.196 -0.212 -20.645 1.00 0.00 C ATOM 749 NE1 TRP B 41 88.015 -1.705 -22.263 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.682 -1.462 -21.081 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.700 0.312 -19.441 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.630 -2.168 -20.355 1.00 0.00 C ATOM 753 CZ3 TRP B 41 89.652 -0.406 -18.699 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.119 -1.646 -19.159 1.00 0.00 C ATOM 0 H TRP B 41 85.839 3.869 -21.623 1.00 0.00 H new ATOM 0 HA TRP B 41 87.932 2.571 -22.825 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.633 2.065 -20.646 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.387 1.327 -21.633 1.00 0.00 H new ATOM 0 HD1 TRP B 41 86.492 -0.652 -23.436 1.00 0.00 H new ATOM 0 HE1 TRP B 41 88.151 -2.537 -22.837 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.353 1.271 -19.085 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.989 -3.121 -20.716 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.026 -0.002 -17.770 1.00 0.00 H new ATOM 0 HH2 TRP B 41 90.854 -2.194 -18.589 1.00 0.00 H new ATOM 765 N THR B 42 85.120 1.725 -24.289 1.00 0.00 N ATOM 766 CA THR B 42 84.612 1.077 -25.498 1.00 0.00 C ATOM 767 C THR B 42 85.339 1.588 -26.742 1.00 0.00 C ATOM 768 O THR B 42 85.555 0.834 -27.692 1.00 0.00 O ATOM 769 CB THR B 42 83.101 1.318 -25.650 1.00 0.00 C ATOM 770 OG1 THR B 42 82.762 1.319 -27.030 1.00 0.00 O ATOM 771 CG2 THR B 42 82.729 2.662 -25.032 1.00 0.00 C ATOM 0 H THR B 42 84.404 2.104 -23.669 1.00 0.00 H new ATOM 0 HA THR B 42 84.795 0.007 -25.399 1.00 0.00 H new ATOM 0 HB THR B 42 82.554 0.525 -25.139 1.00 0.00 H new ATOM 0 HG1 THR B 42 81.799 1.471 -27.130 1.00 0.00 H new ATOM 0 HG21 THR B 42 81.657 2.829 -25.142 1.00 0.00 H new ATOM 0 HG22 THR B 42 82.989 2.660 -23.974 1.00 0.00 H new ATOM 0 HG23 THR B 42 83.274 3.459 -25.538 1.00 0.00 H new ATOM 779 N ILE B 43 85.670 2.850 -26.754 1.00 0.00 N ATOM 780 CA ILE B 43 86.326 3.452 -27.912 1.00 0.00 C ATOM 781 C ILE B 43 87.512 2.609 -28.410 1.00 0.00 C ATOM 782 O ILE B 43 87.776 2.565 -29.611 1.00 0.00 O ATOM 783 CB ILE B 43 86.783 4.882 -27.540 1.00 0.00 C ATOM 784 CG1 ILE B 43 86.809 5.779 -28.787 1.00 0.00 C ATOM 785 CG2 ILE B 43 88.181 4.860 -26.900 1.00 0.00 C ATOM 786 CD1 ILE B 43 87.129 7.218 -28.374 1.00 0.00 C ATOM 0 H ILE B 43 85.502 3.493 -25.980 1.00 0.00 H new ATOM 0 HA ILE B 43 85.611 3.493 -28.734 1.00 0.00 H new ATOM 0 HB ILE B 43 86.070 5.284 -26.820 1.00 0.00 H new ATOM 0 HG12 ILE B 43 87.557 5.417 -29.493 1.00 0.00 H new ATOM 0 HG13 ILE B 43 85.846 5.741 -29.296 1.00 0.00 H new ATOM 0 HG21 ILE B 43 88.481 5.877 -26.647 1.00 0.00 H new ATOM 0 HG22 ILE B 43 88.157 4.253 -25.995 1.00 0.00 H new ATOM 0 HG23 ILE B 43 88.897 4.435 -27.604 1.00 0.00 H new ATOM 0 HD11 ILE B 43 87.148 7.855 -29.258 1.00 0.00 H new ATOM 0 HD12 ILE B 43 86.365 7.577 -27.684 1.00 0.00 H new ATOM 0 HD13 ILE B 43 88.103 7.248 -27.885 1.00 0.00 H new ATOM 798 N GLY B 44 88.206 1.950 -27.518 1.00 0.00 N ATOM 799 CA GLY B 44 89.345 1.120 -27.921 1.00 0.00 C ATOM 800 C GLY B 44 88.891 -0.001 -28.859 1.00 0.00 C ATOM 801 O GLY B 44 89.577 -0.340 -29.821 1.00 0.00 O ATOM 0 H GLY B 44 88.017 1.962 -26.516 1.00 0.00 H new ATOM 0 HA2 GLY B 44 90.093 1.737 -28.419 1.00 0.00 H new ATOM 0 HA3 GLY B 44 89.820 0.692 -27.038 1.00 0.00 H new ATOM 805 N HIS B 45 87.791 -0.611 -28.520 1.00 0.00 N ATOM 806 CA HIS B 45 87.263 -1.752 -29.251 1.00 0.00 C ATOM 807 C HIS B 45 87.359 -1.584 -30.771 1.00 0.00 C ATOM 808 O HIS B 45 87.452 -2.575 -31.492 1.00 0.00 O ATOM 809 CB HIS B 45 85.812 -1.958 -28.824 1.00 0.00 C ATOM 810 CG HIS B 45 85.356 -3.343 -29.182 1.00 0.00 C ATOM 811 ND1 HIS B 45 85.573 -4.558 -28.584 1.00 0.00 N flip ATOM 812 CD2 HIS B 45 84.556 -3.599 -30.283 1.00 0.00 C flip ATOM 813 CE1 HIS B 45 84.919 -5.555 -29.299 1.00 0.00 C flip ATOM 814 NE2 HIS B 45 84.321 -4.924 -30.312 1.00 0.00 N flip ATOM 0 H HIS B 45 87.221 -0.335 -27.720 1.00 0.00 H new ATOM 0 HA HIS B 45 87.867 -2.626 -29.010 1.00 0.00 H new ATOM 0 HB2 HIS B 45 85.716 -1.803 -27.749 1.00 0.00 H new ATOM 0 HB3 HIS B 45 85.174 -1.220 -29.311 1.00 0.00 H new ATOM 0 HD2 HIS B 45 84.188 -2.869 -30.989 1.00 0.00 H new ATOM 0 HE1 HIS B 45 84.899 -6.613 -29.082 1.00 0.00 H new ATOM 0 HE2 HIS B 45 83.755 -5.389 -31.022 1.00 0.00 H new ATOM 823 N LEU B 46 87.404 -0.377 -31.261 1.00 0.00 N ATOM 824 CA LEU B 46 87.574 -0.214 -32.708 1.00 0.00 C ATOM 825 C LEU B 46 88.860 -0.976 -33.096 1.00 0.00 C ATOM 826 O LEU B 46 88.911 -1.704 -34.083 1.00 0.00 O ATOM 827 CB LEU B 46 87.632 1.283 -33.109 1.00 0.00 C ATOM 828 CG LEU B 46 88.996 1.924 -32.750 1.00 0.00 C ATOM 829 CD1 LEU B 46 90.058 1.647 -33.851 1.00 0.00 C ATOM 830 CD2 LEU B 46 88.814 3.446 -32.582 1.00 0.00 C ATOM 0 H LEU B 46 87.331 0.485 -30.721 1.00 0.00 H new ATOM 0 HA LEU B 46 86.720 -0.622 -33.248 1.00 0.00 H new ATOM 0 HB2 LEU B 46 87.456 1.379 -34.180 1.00 0.00 H new ATOM 0 HB3 LEU B 46 86.832 1.825 -32.605 1.00 0.00 H new ATOM 0 HG LEU B 46 89.349 1.481 -31.819 1.00 0.00 H new ATOM 0 HD11 LEU B 46 91.004 2.110 -33.569 1.00 0.00 H new ATOM 0 HD12 LEU B 46 90.198 0.571 -33.959 1.00 0.00 H new ATOM 0 HD13 LEU B 46 89.718 2.065 -34.798 1.00 0.00 H new ATOM 0 HD21 LEU B 46 89.772 3.901 -32.329 1.00 0.00 H new ATOM 0 HD22 LEU B 46 88.444 3.873 -33.514 1.00 0.00 H new ATOM 0 HD23 LEU B 46 88.098 3.641 -31.784 1.00 0.00 H new ATOM 842 N ASN B 47 89.876 -0.756 -32.317 1.00 0.00 N ATOM 843 CA ASN B 47 91.184 -1.377 -32.539 1.00 0.00 C ATOM 844 C ASN B 47 91.090 -2.904 -32.709 1.00 0.00 C ATOM 845 O ASN B 47 91.739 -3.466 -33.592 1.00 0.00 O ATOM 846 CB ASN B 47 92.115 -1.059 -31.366 1.00 0.00 C ATOM 847 CG ASN B 47 92.512 0.414 -31.396 1.00 0.00 C ATOM 848 OD1 ASN B 47 93.238 0.844 -32.292 1.00 0.00 O ATOM 849 ND2 ASN B 47 92.080 1.217 -30.462 1.00 0.00 N ATOM 0 H ASN B 47 89.840 -0.142 -31.503 1.00 0.00 H new ATOM 0 HA ASN B 47 91.581 -0.963 -33.466 1.00 0.00 H new ATOM 0 HB2 ASN B 47 91.618 -1.291 -30.424 1.00 0.00 H new ATOM 0 HB3 ASN B 47 93.006 -1.685 -31.419 1.00 0.00 H new ATOM 0 HD21 ASN B 47 92.344 2.202 -30.474 1.00 0.00 H new ATOM 0 HD22 ASN B 47 91.478 0.859 -29.720 1.00 0.00 H new ATOM 856 N GLN B 48 90.340 -3.574 -31.862 1.00 0.00 N ATOM 857 CA GLN B 48 90.241 -5.041 -31.936 1.00 0.00 C ATOM 858 C GLN B 48 89.146 -5.542 -32.893 1.00 0.00 C ATOM 859 O GLN B 48 89.420 -6.400 -33.730 1.00 0.00 O ATOM 860 CB GLN B 48 90.012 -5.618 -30.531 1.00 0.00 C ATOM 861 CG GLN B 48 88.556 -5.442 -30.102 1.00 0.00 C ATOM 862 CD GLN B 48 88.429 -5.653 -28.596 1.00 0.00 C ATOM 863 OE1 GLN B 48 87.898 -6.672 -28.154 1.00 0.00 O ATOM 864 NE2 GLN B 48 88.887 -4.744 -27.780 1.00 0.00 N ATOM 0 H GLN B 48 89.790 -3.146 -31.117 1.00 0.00 H new ATOM 0 HA GLN B 48 91.188 -5.393 -32.345 1.00 0.00 H new ATOM 0 HB2 GLN B 48 90.273 -6.676 -30.521 1.00 0.00 H new ATOM 0 HB3 GLN B 48 90.669 -5.120 -29.817 1.00 0.00 H new ATOM 0 HG2 GLN B 48 88.207 -4.444 -30.369 1.00 0.00 H new ATOM 0 HG3 GLN B 48 87.923 -6.153 -30.632 1.00 0.00 H new ATOM 0 HE21 GLN B 48 89.326 -3.901 -28.150 1.00 0.00 H new ATOM 0 HE22 GLN B 48 88.806 -4.876 -26.772 1.00 0.00 H new ATOM 873 N ILE B 49 87.927 -5.068 -32.735 1.00 0.00 N ATOM 874 CA ILE B 49 86.805 -5.543 -33.567 1.00 0.00 C ATOM 875 C ILE B 49 87.254 -5.904 -34.990 1.00 0.00 C ATOM 876 O ILE B 49 87.154 -7.064 -35.393 1.00 0.00 O ATOM 877 CB ILE B 49 85.654 -4.520 -33.600 1.00 0.00 C ATOM 878 CG1 ILE B 49 84.440 -5.151 -34.290 1.00 0.00 C ATOM 879 CG2 ILE B 49 86.066 -3.252 -34.354 1.00 0.00 C ATOM 880 CD1 ILE B 49 83.214 -4.256 -34.098 1.00 0.00 C ATOM 0 H ILE B 49 87.674 -4.359 -32.047 1.00 0.00 H new ATOM 0 HA ILE B 49 86.434 -6.455 -33.100 1.00 0.00 H new ATOM 0 HB ILE B 49 85.405 -4.244 -32.575 1.00 0.00 H new ATOM 0 HG12 ILE B 49 84.642 -5.284 -35.353 1.00 0.00 H new ATOM 0 HG13 ILE B 49 84.248 -6.141 -33.876 1.00 0.00 H new ATOM 0 HG21 ILE B 49 85.235 -2.547 -34.362 1.00 0.00 H new ATOM 0 HG22 ILE B 49 86.923 -2.796 -33.859 1.00 0.00 H new ATOM 0 HG23 ILE B 49 86.334 -3.509 -35.379 1.00 0.00 H new ATOM 0 HD11 ILE B 49 82.353 -4.708 -34.590 1.00 0.00 H new ATOM 0 HD12 ILE B 49 83.007 -4.146 -33.034 1.00 0.00 H new ATOM 0 HD13 ILE B 49 83.407 -3.276 -34.533 1.00 0.00 H new ATOM 892 N LYS B 50 87.730 -4.947 -35.736 1.00 0.00 N ATOM 893 CA LYS B 50 88.173 -5.212 -37.104 1.00 0.00 C ATOM 894 C LYS B 50 88.996 -6.499 -37.174 1.00 0.00 C ATOM 895 O LYS B 50 88.770 -7.342 -38.042 1.00 0.00 O ATOM 896 CB LYS B 50 89.014 -4.033 -37.619 1.00 0.00 C ATOM 897 CG LYS B 50 88.096 -2.854 -38.001 1.00 0.00 C ATOM 898 CD LYS B 50 87.565 -3.025 -39.444 1.00 0.00 C ATOM 899 CE LYS B 50 88.508 -2.342 -40.446 1.00 0.00 C ATOM 900 NZ LYS B 50 89.921 -2.531 -40.016 1.00 0.00 N ATOM 0 H LYS B 50 87.827 -3.977 -35.436 1.00 0.00 H new ATOM 0 HA LYS B 50 87.289 -5.333 -37.731 1.00 0.00 H new ATOM 0 HB2 LYS B 50 89.722 -3.719 -36.852 1.00 0.00 H new ATOM 0 HB3 LYS B 50 89.599 -4.344 -38.485 1.00 0.00 H new ATOM 0 HG2 LYS B 50 87.260 -2.796 -37.304 1.00 0.00 H new ATOM 0 HG3 LYS B 50 88.645 -1.916 -37.918 1.00 0.00 H new ATOM 0 HD2 LYS B 50 87.476 -4.085 -39.683 1.00 0.00 H new ATOM 0 HD3 LYS B 50 86.566 -2.596 -39.524 1.00 0.00 H new ATOM 0 HE2 LYS B 50 88.362 -2.761 -41.441 1.00 0.00 H new ATOM 0 HE3 LYS B 50 88.277 -1.279 -40.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 90.557 -2.097 -40.714 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 90.065 -2.081 -39.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 90.129 -3.547 -39.943 1.00 0.00 H new ATOM 914 N ARG B 51 89.932 -6.642 -36.274 1.00 0.00 N ATOM 915 CA ARG B 51 90.777 -7.833 -36.252 1.00 0.00 C ATOM 916 C ARG B 51 89.951 -9.069 -35.907 1.00 0.00 C ATOM 917 O ARG B 51 90.164 -10.145 -36.464 1.00 0.00 O ATOM 918 CB ARG B 51 91.899 -7.662 -35.225 1.00 0.00 C ATOM 919 CG ARG B 51 92.849 -6.557 -35.690 1.00 0.00 C ATOM 920 CD ARG B 51 93.952 -6.358 -34.649 1.00 0.00 C ATOM 921 NE ARG B 51 94.830 -5.264 -35.048 1.00 0.00 N ATOM 922 CZ ARG B 51 95.690 -5.408 -36.019 1.00 0.00 C ATOM 923 NH1 ARG B 51 95.774 -6.546 -36.652 1.00 0.00 N ATOM 924 NH2 ARG B 51 96.463 -4.414 -36.358 1.00 0.00 N ATOM 0 H ARG B 51 90.138 -5.959 -35.545 1.00 0.00 H new ATOM 0 HA ARG B 51 91.212 -7.965 -37.243 1.00 0.00 H new ATOM 0 HB2 ARG B 51 91.480 -7.410 -34.251 1.00 0.00 H new ATOM 0 HB3 ARG B 51 92.444 -8.599 -35.106 1.00 0.00 H new ATOM 0 HG2 ARG B 51 93.287 -6.821 -36.653 1.00 0.00 H new ATOM 0 HG3 ARG B 51 92.299 -5.627 -35.834 1.00 0.00 H new ATOM 0 HD2 ARG B 51 93.510 -6.143 -33.676 1.00 0.00 H new ATOM 0 HD3 ARG B 51 94.529 -7.276 -34.540 1.00 0.00 H new ATOM 0 HE ARG B 51 94.771 -4.371 -34.560 1.00 0.00 H new ATOM 0 HH11 ARG B 51 95.168 -7.322 -36.388 1.00 0.00 H new ATOM 0 HH12 ARG B 51 96.446 -6.659 -37.411 1.00 0.00 H new ATOM 0 HH21 ARG B 51 96.395 -3.524 -35.864 1.00 0.00 H new ATOM 0 HH22 ARG B 51 97.135 -4.526 -37.117 1.00 0.00 H new ATOM 938 N GLY B 52 89.026 -8.908 -35.001 1.00 0.00 N ATOM 939 CA GLY B 52 88.173 -10.017 -34.588 1.00 0.00 C ATOM 940 C GLY B 52 87.310 -9.623 -33.395 1.00 0.00 C ATOM 0 H GLY B 52 88.834 -8.025 -34.528 1.00 0.00 H new ATOM 0 HA2 GLY B 52 87.536 -10.320 -35.419 1.00 0.00 H new ATOM 0 HA3 GLY B 52 88.789 -10.878 -34.328 1.00 0.00 H new TER 944 GLY B 52 ATOM 945 N SER C 23 94.668 10.060 9.698 1.00 0.00 N ATOM 946 CA SER C 23 93.642 10.766 8.880 1.00 0.00 C ATOM 947 C SER C 23 93.315 9.929 7.646 1.00 0.00 C ATOM 948 O SER C 23 93.128 10.465 6.553 1.00 0.00 O ATOM 949 CB SER C 23 94.183 12.132 8.458 1.00 0.00 C ATOM 950 OG SER C 23 93.199 12.810 7.688 1.00 0.00 O ATOM 0 HA SER C 23 92.734 10.907 9.467 1.00 0.00 H new ATOM 0 HB2 SER C 23 94.442 12.721 9.338 1.00 0.00 H new ATOM 0 HB3 SER C 23 95.096 12.010 7.876 1.00 0.00 H new ATOM 0 HG SER C 23 92.812 12.191 7.034 1.00 0.00 H new ATOM 955 N ASP C 24 93.236 8.634 7.832 1.00 0.00 N ATOM 956 CA ASP C 24 92.917 7.718 6.744 1.00 0.00 C ATOM 957 C ASP C 24 93.605 8.147 5.453 1.00 0.00 C ATOM 958 O ASP C 24 92.956 8.303 4.418 1.00 0.00 O ATOM 959 CB ASP C 24 91.404 7.680 6.529 1.00 0.00 C ATOM 960 CG ASP C 24 90.883 9.084 6.247 1.00 0.00 C ATOM 961 OD1 ASP C 24 90.731 9.840 7.192 1.00 0.00 O ATOM 962 OD2 ASP C 24 90.645 9.386 5.088 1.00 0.00 O ATOM 0 H ASP C 24 93.388 8.179 8.732 1.00 0.00 H new ATOM 0 HA ASP C 24 93.276 6.725 7.015 1.00 0.00 H new ATOM 0 HB2 ASP C 24 91.163 7.020 5.696 1.00 0.00 H new ATOM 0 HB3 ASP C 24 90.913 7.271 7.412 1.00 0.00 H new ATOM 967 N PRO C 25 94.897 8.338 5.490 1.00 0.00 N ATOM 968 CA PRO C 25 95.672 8.754 4.289 1.00 0.00 C ATOM 969 C PRO C 25 95.501 7.740 3.164 1.00 0.00 C ATOM 970 O PRO C 25 95.864 7.994 2.017 1.00 0.00 O ATOM 971 CB PRO C 25 97.132 8.822 4.788 1.00 0.00 C ATOM 972 CG PRO C 25 97.151 8.015 6.050 1.00 0.00 C ATOM 973 CD PRO C 25 95.765 8.173 6.667 1.00 0.00 C ATOM 0 HA PRO C 25 95.341 9.706 3.875 1.00 0.00 H new ATOM 0 HB2 PRO C 25 97.821 8.414 4.048 1.00 0.00 H new ATOM 0 HB3 PRO C 25 97.438 9.852 4.974 1.00 0.00 H new ATOM 0 HG2 PRO C 25 97.369 6.968 5.841 1.00 0.00 H new ATOM 0 HG3 PRO C 25 97.925 8.372 6.730 1.00 0.00 H new ATOM 0 HD2 PRO C 25 95.484 7.301 7.257 1.00 0.00 H new ATOM 0 HD3 PRO C 25 95.714 9.036 7.330 1.00 0.00 H new ATOM 981 N LEU C 26 94.973 6.603 3.507 1.00 0.00 N ATOM 982 CA LEU C 26 94.771 5.542 2.523 1.00 0.00 C ATOM 983 C LEU C 26 93.821 6.000 1.408 1.00 0.00 C ATOM 984 O LEU C 26 94.065 5.738 0.230 1.00 0.00 O ATOM 985 CB LEU C 26 94.188 4.302 3.216 1.00 0.00 C ATOM 986 CG LEU C 26 95.289 3.550 3.973 1.00 0.00 C ATOM 987 CD1 LEU C 26 95.983 4.493 4.961 1.00 0.00 C ATOM 988 CD2 LEU C 26 94.659 2.386 4.742 1.00 0.00 C ATOM 0 H LEU C 26 94.670 6.372 4.453 1.00 0.00 H new ATOM 0 HA LEU C 26 95.735 5.299 2.077 1.00 0.00 H new ATOM 0 HB2 LEU C 26 93.400 4.600 3.908 1.00 0.00 H new ATOM 0 HB3 LEU C 26 93.731 3.644 2.476 1.00 0.00 H new ATOM 0 HG LEU C 26 96.025 3.174 3.262 1.00 0.00 H new ATOM 0 HD11 LEU C 26 96.764 3.951 5.494 1.00 0.00 H new ATOM 0 HD12 LEU C 26 96.427 5.327 4.417 1.00 0.00 H new ATOM 0 HD13 LEU C 26 95.253 4.873 5.675 1.00 0.00 H new ATOM 0 HD21 LEU C 26 95.435 1.845 5.284 1.00 0.00 H new ATOM 0 HD22 LEU C 26 93.925 2.772 5.449 1.00 0.00 H new ATOM 0 HD23 LEU C 26 94.168 1.711 4.042 1.00 0.00 H new ATOM 1000 N VAL C 27 92.753 6.653 1.784 1.00 0.00 N ATOM 1001 CA VAL C 27 91.758 7.125 0.816 1.00 0.00 C ATOM 1002 C VAL C 27 92.306 8.242 -0.077 1.00 0.00 C ATOM 1003 O VAL C 27 92.087 8.241 -1.289 1.00 0.00 O ATOM 1004 CB VAL C 27 90.525 7.657 1.564 1.00 0.00 C ATOM 1005 CG1 VAL C 27 89.393 7.971 0.578 1.00 0.00 C ATOM 1006 CG2 VAL C 27 90.033 6.611 2.565 1.00 0.00 C ATOM 0 H VAL C 27 92.536 6.878 2.755 1.00 0.00 H new ATOM 0 HA VAL C 27 91.495 6.278 0.182 1.00 0.00 H new ATOM 0 HB VAL C 27 90.810 8.569 2.089 1.00 0.00 H new ATOM 0 HG11 VAL C 27 88.528 8.346 1.125 1.00 0.00 H new ATOM 0 HG12 VAL C 27 89.729 8.726 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL C 27 89.117 7.064 0.040 1.00 0.00 H new ATOM 0 HG21 VAL C 27 89.159 6.994 3.092 1.00 0.00 H new ATOM 0 HG22 VAL C 27 89.765 5.697 2.034 1.00 0.00 H new ATOM 0 HG23 VAL C 27 90.824 6.395 3.283 1.00 0.00 H new ATOM 1016 N VAL C 28 92.985 9.184 0.516 1.00 0.00 N ATOM 1017 CA VAL C 28 93.530 10.310 -0.241 1.00 0.00 C ATOM 1018 C VAL C 28 94.704 9.876 -1.120 1.00 0.00 C ATOM 1019 O VAL C 28 94.973 10.487 -2.155 1.00 0.00 O ATOM 1020 CB VAL C 28 93.945 11.452 0.720 1.00 0.00 C ATOM 1021 CG1 VAL C 28 95.372 11.244 1.238 1.00 0.00 C ATOM 1022 CG2 VAL C 28 93.871 12.803 -0.005 1.00 0.00 C ATOM 0 H VAL C 28 93.181 9.208 1.517 1.00 0.00 H new ATOM 0 HA VAL C 28 92.750 10.683 -0.904 1.00 0.00 H new ATOM 0 HB VAL C 28 93.256 11.444 1.565 1.00 0.00 H new ATOM 0 HG11 VAL C 28 95.638 12.060 1.910 1.00 0.00 H new ATOM 0 HG12 VAL C 28 95.430 10.298 1.776 1.00 0.00 H new ATOM 0 HG13 VAL C 28 96.065 11.226 0.397 1.00 0.00 H new ATOM 0 HG21 VAL C 28 94.165 13.599 0.679 1.00 0.00 H new ATOM 0 HG22 VAL C 28 94.545 12.794 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL C 28 92.851 12.977 -0.348 1.00 0.00 H new ATOM 1032 N ALA C 29 95.410 8.869 -0.690 1.00 0.00 N ATOM 1033 CA ALA C 29 96.577 8.404 -1.430 1.00 0.00 C ATOM 1034 C ALA C 29 96.222 7.806 -2.789 1.00 0.00 C ATOM 1035 O ALA C 29 96.820 8.182 -3.791 1.00 0.00 O ATOM 1036 CB ALA C 29 97.340 7.371 -0.602 1.00 0.00 C ATOM 0 H ALA C 29 95.209 8.348 0.164 1.00 0.00 H new ATOM 0 HA ALA C 29 97.200 9.279 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.211 7.028 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.665 7.824 0.335 1.00 0.00 H new ATOM 0 HB3 ALA C 29 96.689 6.523 -0.388 1.00 0.00 H new ATOM 1042 N ALA C 30 95.303 6.880 -2.845 1.00 0.00 N ATOM 1043 CA ALA C 30 94.970 6.272 -4.127 1.00 0.00 C ATOM 1044 C ALA C 30 94.237 7.263 -5.020 1.00 0.00 C ATOM 1045 O ALA C 30 94.326 7.199 -6.247 1.00 0.00 O ATOM 1046 CB ALA C 30 94.109 5.042 -3.904 1.00 0.00 C ATOM 0 H ALA C 30 94.777 6.529 -2.045 1.00 0.00 H new ATOM 0 HA ALA C 30 95.896 5.981 -4.623 1.00 0.00 H new ATOM 0 HB1 ALA C 30 93.863 4.591 -4.865 1.00 0.00 H new ATOM 0 HB2 ALA C 30 94.655 4.322 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA C 30 93.191 5.329 -3.392 1.00 0.00 H new ATOM 1052 N SER C 31 93.519 8.153 -4.403 1.00 0.00 N ATOM 1053 CA SER C 31 92.762 9.145 -5.147 1.00 0.00 C ATOM 1054 C SER C 31 93.646 9.816 -6.203 1.00 0.00 C ATOM 1055 O SER C 31 93.270 9.898 -7.371 1.00 0.00 O ATOM 1056 CB SER C 31 92.220 10.197 -4.184 1.00 0.00 C ATOM 1057 OG SER C 31 91.537 11.204 -4.920 1.00 0.00 O ATOM 0 H SER C 31 93.434 8.222 -3.389 1.00 0.00 H new ATOM 0 HA SER C 31 91.934 8.649 -5.653 1.00 0.00 H new ATOM 0 HB2 SER C 31 91.543 9.734 -3.466 1.00 0.00 H new ATOM 0 HB3 SER C 31 93.037 10.639 -3.613 1.00 0.00 H new ATOM 0 HG SER C 31 91.187 11.880 -4.303 1.00 0.00 H new ATOM 1063 N ILE C 32 94.787 10.307 -5.791 1.00 0.00 N ATOM 1064 CA ILE C 32 95.691 10.992 -6.722 1.00 0.00 C ATOM 1065 C ILE C 32 95.944 10.160 -7.987 1.00 0.00 C ATOM 1066 O ILE C 32 96.105 10.712 -9.074 1.00 0.00 O ATOM 1067 CB ILE C 32 97.029 11.316 -6.024 1.00 0.00 C ATOM 1068 CG1 ILE C 32 97.765 12.438 -6.793 1.00 0.00 C ATOM 1069 CG2 ILE C 32 97.918 10.059 -5.976 1.00 0.00 C ATOM 1070 CD1 ILE C 32 97.233 13.821 -6.387 1.00 0.00 C ATOM 0 H ILE C 32 95.123 10.254 -4.829 1.00 0.00 H new ATOM 0 HA ILE C 32 95.208 11.920 -7.027 1.00 0.00 H new ATOM 0 HB ILE C 32 96.823 11.649 -5.007 1.00 0.00 H new ATOM 0 HG12 ILE C 32 98.835 12.382 -6.591 1.00 0.00 H new ATOM 0 HG13 ILE C 32 97.635 12.295 -7.866 1.00 0.00 H new ATOM 0 HG21 ILE C 32 98.860 10.298 -5.482 1.00 0.00 H new ATOM 0 HG22 ILE C 32 97.406 9.272 -5.421 1.00 0.00 H new ATOM 0 HG23 ILE C 32 98.118 9.716 -6.991 1.00 0.00 H new ATOM 0 HD11 ILE C 32 97.766 14.593 -6.941 1.00 0.00 H new ATOM 0 HD12 ILE C 32 96.168 13.882 -6.613 1.00 0.00 H new ATOM 0 HD13 ILE C 32 97.386 13.970 -5.318 1.00 0.00 H new ATOM 1082 N ILE C 33 95.990 8.860 -7.848 1.00 0.00 N ATOM 1083 CA ILE C 33 96.235 7.993 -9.000 1.00 0.00 C ATOM 1084 C ILE C 33 95.120 8.150 -10.034 1.00 0.00 C ATOM 1085 O ILE C 33 95.369 8.210 -11.236 1.00 0.00 O ATOM 1086 CB ILE C 33 96.323 6.527 -8.553 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.348 6.396 -7.417 1.00 0.00 C ATOM 1088 CG2 ILE C 33 96.763 5.657 -9.734 1.00 0.00 C ATOM 1089 CD1 ILE C 33 97.438 4.934 -6.963 1.00 0.00 C ATOM 0 H ILE C 33 95.864 8.370 -6.962 1.00 0.00 H new ATOM 0 HA ILE C 33 97.182 8.286 -9.454 1.00 0.00 H new ATOM 0 HB ILE C 33 95.345 6.198 -8.201 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.325 6.742 -7.755 1.00 0.00 H new ATOM 0 HG13 ILE C 33 97.058 7.029 -6.579 1.00 0.00 H new ATOM 0 HG21 ILE C 33 96.825 4.616 -9.416 1.00 0.00 H new ATOM 0 HG22 ILE C 33 96.037 5.747 -10.542 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.740 5.988 -10.086 1.00 0.00 H new ATOM 0 HD11 ILE C 33 98.167 4.847 -6.157 1.00 0.00 H new ATOM 0 HD12 ILE C 33 96.462 4.603 -6.607 1.00 0.00 H new ATOM 0 HD13 ILE C 33 97.749 4.311 -7.802 1.00 0.00 H new ATOM 1101 N GLY C 34 93.910 8.153 -9.563 1.00 0.00 N ATOM 1102 CA GLY C 34 92.756 8.233 -10.454 1.00 0.00 C ATOM 1103 C GLY C 34 92.929 9.313 -11.526 1.00 0.00 C ATOM 1104 O GLY C 34 92.707 9.054 -12.706 1.00 0.00 O ATOM 0 H GLY C 34 93.680 8.102 -8.571 1.00 0.00 H new ATOM 0 HA2 GLY C 34 92.602 7.267 -10.935 1.00 0.00 H new ATOM 0 HA3 GLY C 34 91.861 8.444 -9.869 1.00 0.00 H new ATOM 1108 N ILE C 35 93.317 10.492 -11.134 1.00 0.00 N ATOM 1109 CA ILE C 35 93.504 11.574 -12.103 1.00 0.00 C ATOM 1110 C ILE C 35 94.736 11.337 -12.982 1.00 0.00 C ATOM 1111 O ILE C 35 94.791 11.793 -14.124 1.00 0.00 O ATOM 1112 CB ILE C 35 93.645 12.915 -11.380 1.00 0.00 C ATOM 1113 CG1 ILE C 35 94.736 12.813 -10.312 1.00 0.00 C ATOM 1114 CG2 ILE C 35 92.314 13.279 -10.719 1.00 0.00 C ATOM 1115 CD1 ILE C 35 95.106 14.217 -9.829 1.00 0.00 C ATOM 0 H ILE C 35 93.512 10.744 -10.165 1.00 0.00 H new ATOM 0 HA ILE C 35 92.623 11.594 -12.745 1.00 0.00 H new ATOM 0 HB ILE C 35 93.918 13.687 -12.100 1.00 0.00 H new ATOM 0 HG12 ILE C 35 94.386 12.209 -9.475 1.00 0.00 H new ATOM 0 HG13 ILE C 35 95.615 12.313 -10.720 1.00 0.00 H new ATOM 0 HG21 ILE C 35 92.413 14.234 -10.203 1.00 0.00 H new ATOM 0 HG22 ILE C 35 91.539 13.357 -11.481 1.00 0.00 H new ATOM 0 HG23 ILE C 35 92.041 12.506 -10.001 1.00 0.00 H new ATOM 0 HD11 ILE C 35 95.883 14.147 -9.068 1.00 0.00 H new ATOM 0 HD12 ILE C 35 95.473 14.806 -10.669 1.00 0.00 H new ATOM 0 HD13 ILE C 35 94.225 14.700 -9.405 1.00 0.00 H new ATOM 1127 N LEU C 36 95.711 10.659 -12.443 1.00 0.00 N ATOM 1128 CA LEU C 36 96.954 10.390 -13.168 1.00 0.00 C ATOM 1129 C LEU C 36 96.717 9.576 -14.444 1.00 0.00 C ATOM 1130 O LEU C 36 97.385 9.795 -15.453 1.00 0.00 O ATOM 1131 CB LEU C 36 97.921 9.629 -12.248 1.00 0.00 C ATOM 1132 CG LEU C 36 99.291 9.442 -12.922 1.00 0.00 C ATOM 1133 CD1 LEU C 36 100.014 10.794 -13.052 1.00 0.00 C ATOM 1134 CD2 LEU C 36 100.136 8.484 -12.069 1.00 0.00 C ATOM 0 H LEU C 36 95.683 10.274 -11.499 1.00 0.00 H new ATOM 0 HA LEU C 36 97.380 11.348 -13.465 1.00 0.00 H new ATOM 0 HB2 LEU C 36 98.044 10.175 -11.312 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.499 8.656 -11.997 1.00 0.00 H new ATOM 0 HG LEU C 36 99.149 9.028 -13.920 1.00 0.00 H new ATOM 0 HD11 LEU C 36 100.982 10.645 -13.531 1.00 0.00 H new ATOM 0 HD12 LEU C 36 99.411 11.472 -13.656 1.00 0.00 H new ATOM 0 HD13 LEU C 36 100.162 11.224 -12.061 1.00 0.00 H new ATOM 0 HD21 LEU C 36 101.110 8.343 -12.537 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.269 8.905 -11.073 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.629 7.522 -11.991 1.00 0.00 H new ATOM 1146 N HIS C 37 95.796 8.653 -14.400 1.00 0.00 N ATOM 1147 CA HIS C 37 95.514 7.824 -15.571 1.00 0.00 C ATOM 1148 C HIS C 37 94.789 8.603 -16.671 1.00 0.00 C ATOM 1149 O HIS C 37 94.914 8.279 -17.852 1.00 0.00 O ATOM 1150 CB HIS C 37 94.698 6.586 -15.175 1.00 0.00 C ATOM 1151 CG HIS C 37 93.306 6.977 -14.759 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.504 7.812 -15.522 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.553 6.636 -13.663 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.328 7.944 -14.879 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.306 7.248 -13.740 1.00 0.00 N ATOM 0 H HIS C 37 95.225 8.446 -13.580 1.00 0.00 H new ATOM 0 HA HIS C 37 96.476 7.505 -15.974 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.651 5.892 -16.014 1.00 0.00 H new ATOM 0 HB3 HIS C 37 95.194 6.064 -14.357 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.880 5.990 -12.862 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.503 8.540 -15.241 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.540 7.180 -13.070 1.00 0.00 H new ATOM 1164 N PHE C 38 94.021 9.586 -16.287 1.00 0.00 N ATOM 1165 CA PHE C 38 93.254 10.368 -17.256 1.00 0.00 C ATOM 1166 C PHE C 38 94.148 11.087 -18.267 1.00 0.00 C ATOM 1167 O PHE C 38 93.908 11.013 -19.472 1.00 0.00 O ATOM 1168 CB PHE C 38 92.385 11.395 -16.529 1.00 0.00 C ATOM 1169 CG PHE C 38 91.461 12.058 -17.522 1.00 0.00 C ATOM 1170 CD1 PHE C 38 90.247 11.451 -17.866 1.00 0.00 C ATOM 1171 CD2 PHE C 38 91.821 13.281 -18.104 1.00 0.00 C ATOM 1172 CE1 PHE C 38 89.395 12.065 -18.791 1.00 0.00 C ATOM 1173 CE2 PHE C 38 90.969 13.894 -19.029 1.00 0.00 C ATOM 1174 CZ PHE C 38 89.755 13.285 -19.374 1.00 0.00 C ATOM 0 H PHE C 38 93.901 9.875 -15.316 1.00 0.00 H new ATOM 0 HA PHE C 38 92.629 9.666 -17.807 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.806 10.908 -15.744 1.00 0.00 H new ATOM 0 HB3 PHE C 38 93.013 12.142 -16.044 1.00 0.00 H new ATOM 0 HD1 PHE C 38 89.968 10.509 -17.417 1.00 0.00 H new ATOM 0 HD2 PHE C 38 92.757 13.751 -17.838 1.00 0.00 H new ATOM 0 HE1 PHE C 38 88.458 11.597 -19.055 1.00 0.00 H new ATOM 0 HE2 PHE C 38 91.247 14.837 -19.477 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.098 13.757 -20.089 1.00 0.00 H new ATOM 1184 N ILE C 39 95.146 11.781 -17.794 1.00 0.00 N ATOM 1185 CA ILE C 39 96.035 12.511 -18.695 1.00 0.00 C ATOM 1186 C ILE C 39 96.765 11.546 -19.625 1.00 0.00 C ATOM 1187 O ILE C 39 97.074 11.880 -20.767 1.00 0.00 O ATOM 1188 CB ILE C 39 97.046 13.337 -17.886 1.00 0.00 C ATOM 1189 CG1 ILE C 39 98.041 14.041 -18.825 1.00 0.00 C ATOM 1190 CG2 ILE C 39 97.816 12.419 -16.934 1.00 0.00 C ATOM 1191 CD1 ILE C 39 97.291 14.903 -19.848 1.00 0.00 C ATOM 0 H ILE C 39 95.374 11.865 -16.803 1.00 0.00 H new ATOM 0 HA ILE C 39 95.434 13.187 -19.303 1.00 0.00 H new ATOM 0 HB ILE C 39 96.502 14.090 -17.316 1.00 0.00 H new ATOM 0 HG12 ILE C 39 98.721 14.664 -18.244 1.00 0.00 H new ATOM 0 HG13 ILE C 39 98.650 13.300 -19.342 1.00 0.00 H new ATOM 0 HG21 ILE C 39 98.533 13.008 -16.361 1.00 0.00 H new ATOM 0 HG22 ILE C 39 97.118 11.934 -16.252 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.347 11.661 -17.510 1.00 0.00 H new ATOM 0 HD11 ILE C 39 98.008 15.395 -20.505 1.00 0.00 H new ATOM 0 HD12 ILE C 39 96.630 14.271 -20.441 1.00 0.00 H new ATOM 0 HD13 ILE C 39 96.701 15.657 -19.326 1.00 0.00 H new ATOM 1203 N ALA C 40 97.017 10.366 -19.138 1.00 0.00 N ATOM 1204 CA ALA C 40 97.690 9.349 -19.934 1.00 0.00 C ATOM 1205 C ALA C 40 96.757 8.809 -21.018 1.00 0.00 C ATOM 1206 O ALA C 40 97.195 8.437 -22.101 1.00 0.00 O ATOM 1207 CB ALA C 40 98.153 8.208 -19.026 1.00 0.00 C ATOM 0 H ALA C 40 96.771 10.072 -18.193 1.00 0.00 H new ATOM 0 HA ALA C 40 98.556 9.800 -20.419 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.656 7.448 -19.624 1.00 0.00 H new ATOM 0 HB2 ALA C 40 98.843 8.596 -18.277 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.290 7.765 -18.529 1.00 0.00 H new ATOM 1213 N TRP C 41 95.494 8.738 -20.695 1.00 0.00 N ATOM 1214 CA TRP C 41 94.479 8.204 -21.603 1.00 0.00 C ATOM 1215 C TRP C 41 94.465 8.909 -22.961 1.00 0.00 C ATOM 1216 O TRP C 41 94.483 8.259 -24.007 1.00 0.00 O ATOM 1217 CB TRP C 41 93.116 8.386 -20.931 1.00 0.00 C ATOM 1218 CG TRP C 41 92.040 7.671 -21.684 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.613 7.975 -22.934 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.222 6.555 -21.235 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.601 7.100 -23.284 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.323 6.208 -22.267 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.181 5.812 -20.042 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.413 5.164 -22.122 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.264 4.760 -19.890 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.381 4.436 -20.929 1.00 0.00 C ATOM 0 H TRP C 41 95.125 9.046 -19.795 1.00 0.00 H new ATOM 0 HA TRP C 41 94.707 7.156 -21.794 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.159 8.010 -19.909 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.877 9.448 -20.870 1.00 0.00 H new ATOM 0 HD1 TRP C 41 92.000 8.770 -23.555 1.00 0.00 H new ATOM 0 HE1 TRP C 41 90.119 7.112 -24.183 1.00 0.00 H new ATOM 0 HE3 TRP C 41 91.860 6.052 -19.237 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.736 4.918 -22.927 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.239 4.198 -18.968 1.00 0.00 H new ATOM 0 HH2 TRP C 41 88.677 3.626 -20.808 1.00 0.00 H new ATOM 1237 N THR C 42 94.397 10.206 -22.937 1.00 0.00 N ATOM 1238 CA THR C 42 94.336 10.992 -24.167 1.00 0.00 C ATOM 1239 C THR C 42 95.453 10.629 -25.149 1.00 0.00 C ATOM 1240 O THR C 42 95.289 10.788 -26.358 1.00 0.00 O ATOM 1241 CB THR C 42 94.403 12.487 -23.846 1.00 0.00 C ATOM 1242 OG1 THR C 42 94.818 13.197 -25.004 1.00 0.00 O ATOM 1243 CG2 THR C 42 95.404 12.726 -22.719 1.00 0.00 C ATOM 0 H THR C 42 94.381 10.760 -22.081 1.00 0.00 H new ATOM 0 HA THR C 42 93.385 10.757 -24.645 1.00 0.00 H new ATOM 0 HB THR C 42 93.419 12.836 -23.534 1.00 0.00 H new ATOM 0 HG1 THR C 42 94.861 14.155 -24.803 1.00 0.00 H new ATOM 0 HG21 THR C 42 95.450 13.791 -22.493 1.00 0.00 H new ATOM 0 HG22 THR C 42 95.089 12.179 -21.830 1.00 0.00 H new ATOM 0 HG23 THR C 42 96.390 12.378 -23.028 1.00 0.00 H new ATOM 1251 N ILE C 43 96.571 10.177 -24.651 1.00 0.00 N ATOM 1252 CA ILE C 43 97.691 9.835 -25.527 1.00 0.00 C ATOM 1253 C ILE C 43 97.293 8.753 -26.544 1.00 0.00 C ATOM 1254 O ILE C 43 97.566 8.885 -27.735 1.00 0.00 O ATOM 1255 CB ILE C 43 98.906 9.390 -24.667 1.00 0.00 C ATOM 1256 CG1 ILE C 43 100.221 9.776 -25.361 1.00 0.00 C ATOM 1257 CG2 ILE C 43 98.906 7.871 -24.432 1.00 0.00 C ATOM 1258 CD1 ILE C 43 101.399 9.453 -24.437 1.00 0.00 C ATOM 0 H ILE C 43 96.744 10.033 -23.656 1.00 0.00 H new ATOM 0 HA ILE C 43 97.974 10.718 -26.100 1.00 0.00 H new ATOM 0 HB ILE C 43 98.823 9.898 -23.706 1.00 0.00 H new ATOM 0 HG12 ILE C 43 100.322 9.233 -26.300 1.00 0.00 H new ATOM 0 HG13 ILE C 43 100.217 10.838 -25.606 1.00 0.00 H new ATOM 0 HG21 ILE C 43 99.770 7.596 -23.827 1.00 0.00 H new ATOM 0 HG22 ILE C 43 97.992 7.583 -23.912 1.00 0.00 H new ATOM 0 HG23 ILE C 43 98.956 7.355 -25.391 1.00 0.00 H new ATOM 0 HD11 ILE C 43 102.333 9.727 -24.929 1.00 0.00 H new ATOM 0 HD12 ILE C 43 101.299 10.016 -23.509 1.00 0.00 H new ATOM 0 HD13 ILE C 43 101.405 8.386 -24.215 1.00 0.00 H new ATOM 1270 N GLY C 44 96.662 7.711 -26.074 1.00 0.00 N ATOM 1271 CA GLY C 44 96.233 6.612 -26.942 1.00 0.00 C ATOM 1272 C GLY C 44 95.354 7.111 -28.088 1.00 0.00 C ATOM 1273 O GLY C 44 95.290 6.494 -29.151 1.00 0.00 O ATOM 0 H GLY C 44 96.425 7.586 -25.090 1.00 0.00 H new ATOM 0 HA2 GLY C 44 97.108 6.105 -27.348 1.00 0.00 H new ATOM 0 HA3 GLY C 44 95.683 5.877 -26.354 1.00 0.00 H new ATOM 1277 N HIS C 45 94.671 8.192 -27.850 1.00 0.00 N ATOM 1278 CA HIS C 45 93.767 8.758 -28.843 1.00 0.00 C ATOM 1279 C HIS C 45 94.430 8.858 -30.216 1.00 0.00 C ATOM 1280 O HIS C 45 93.748 8.829 -31.240 1.00 0.00 O ATOM 1281 CB HIS C 45 93.308 10.141 -28.391 1.00 0.00 C ATOM 1282 CG HIS C 45 92.236 10.636 -29.323 1.00 0.00 C ATOM 1283 ND1 HIS C 45 92.461 11.657 -30.234 1.00 0.00 N ATOM 1284 CD2 HIS C 45 90.929 10.254 -29.504 1.00 0.00 C ATOM 1285 CE1 HIS C 45 91.316 11.853 -30.914 1.00 0.00 C ATOM 1286 NE2 HIS C 45 90.351 11.023 -30.509 1.00 0.00 N ATOM 0 H HIS C 45 94.715 8.712 -26.974 1.00 0.00 H new ATOM 0 HA HIS C 45 92.908 8.093 -28.933 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.927 10.095 -27.371 1.00 0.00 H new ATOM 0 HB3 HIS C 45 94.150 10.833 -28.386 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.426 9.475 -28.950 1.00 0.00 H new ATOM 0 HE1 HIS C 45 91.193 12.591 -31.692 1.00 0.00 H new ATOM 0 HE2 HIS C 45 89.395 10.965 -30.861 1.00 0.00 H new ATOM 1295 N LEU C 46 95.725 9.013 -30.241 1.00 0.00 N ATOM 1296 CA LEU C 46 96.427 9.166 -31.515 1.00 0.00 C ATOM 1297 C LEU C 46 95.935 8.143 -32.539 1.00 0.00 C ATOM 1298 O LEU C 46 95.800 8.466 -33.718 1.00 0.00 O ATOM 1299 CB LEU C 46 97.949 9.019 -31.310 1.00 0.00 C ATOM 1300 CG LEU C 46 98.336 7.539 -30.998 1.00 0.00 C ATOM 1301 CD1 LEU C 46 98.786 6.805 -32.274 1.00 0.00 C ATOM 1302 CD2 LEU C 46 99.501 7.494 -29.995 1.00 0.00 C ATOM 0 H LEU C 46 96.321 9.039 -29.414 1.00 0.00 H new ATOM 0 HA LEU C 46 96.215 10.164 -31.899 1.00 0.00 H new ATOM 0 HB2 LEU C 46 98.473 9.354 -32.205 1.00 0.00 H new ATOM 0 HB3 LEU C 46 98.272 9.662 -30.492 1.00 0.00 H new ATOM 0 HG LEU C 46 97.453 7.053 -30.583 1.00 0.00 H new ATOM 0 HD11 LEU C 46 99.050 5.776 -32.028 1.00 0.00 H new ATOM 0 HD12 LEU C 46 97.974 6.808 -33.001 1.00 0.00 H new ATOM 0 HD13 LEU C 46 99.654 7.311 -32.698 1.00 0.00 H new ATOM 0 HD21 LEU C 46 99.761 6.456 -29.786 1.00 0.00 H new ATOM 0 HD22 LEU C 46 100.365 8.007 -30.418 1.00 0.00 H new ATOM 0 HD23 LEU C 46 99.204 7.987 -29.070 1.00 0.00 H new ATOM 1314 N ASN C 47 95.661 6.941 -32.109 1.00 0.00 N ATOM 1315 CA ASN C 47 95.177 5.919 -33.039 1.00 0.00 C ATOM 1316 C ASN C 47 93.791 6.289 -33.588 1.00 0.00 C ATOM 1317 O ASN C 47 93.576 6.290 -34.800 1.00 0.00 O ATOM 1318 CB ASN C 47 95.105 4.565 -32.328 1.00 0.00 C ATOM 1319 CG ASN C 47 96.510 4.089 -31.968 1.00 0.00 C ATOM 1320 OD1 ASN C 47 97.412 4.128 -32.804 1.00 0.00 O ATOM 1321 ND2 ASN C 47 96.751 3.642 -30.765 1.00 0.00 N ATOM 0 H ASN C 47 95.757 6.634 -31.141 1.00 0.00 H new ATOM 0 HA ASN C 47 95.874 5.858 -33.875 1.00 0.00 H new ATOM 0 HB2 ASN C 47 94.499 4.650 -31.426 1.00 0.00 H new ATOM 0 HB3 ASN C 47 94.618 3.833 -32.971 1.00 0.00 H new ATOM 0 HD21 ASN C 47 97.688 3.325 -30.517 1.00 0.00 H new ATOM 0 HD22 ASN C 47 96.002 3.610 -30.073 1.00 0.00 H new ATOM 1328 N GLN C 48 92.872 6.591 -32.706 1.00 0.00 N ATOM 1329 CA GLN C 48 91.514 6.955 -33.105 1.00 0.00 C ATOM 1330 C GLN C 48 91.520 7.939 -34.276 1.00 0.00 C ATOM 1331 O GLN C 48 90.894 7.695 -35.308 1.00 0.00 O ATOM 1332 CB GLN C 48 90.779 7.594 -31.919 1.00 0.00 C ATOM 1333 CG GLN C 48 90.409 6.521 -30.887 1.00 0.00 C ATOM 1334 CD GLN C 48 91.628 5.671 -30.546 1.00 0.00 C ATOM 1335 OE1 GLN C 48 91.985 4.710 -31.353 1.00 0.00 O flip ATOM 1336 NE2 GLN C 48 92.272 5.890 -29.520 1.00 0.00 N flip ATOM 0 H GLN C 48 93.030 6.595 -31.698 1.00 0.00 H new ATOM 0 HA GLN C 48 91.004 6.045 -33.420 1.00 0.00 H new ATOM 0 HB2 GLN C 48 91.410 8.352 -31.456 1.00 0.00 H new ATOM 0 HB3 GLN C 48 89.879 8.099 -32.269 1.00 0.00 H new ATOM 0 HG2 GLN C 48 90.023 6.993 -29.984 1.00 0.00 H new ATOM 0 HG3 GLN C 48 89.614 5.887 -31.280 1.00 0.00 H new ATOM 0 HE21 GLN C 48 91.990 6.642 -28.892 1.00 0.00 H new ATOM 0 HE22 GLN C 48 93.088 5.319 -29.298 1.00 0.00 H new ATOM 1345 N ILE C 49 92.206 9.036 -34.105 1.00 0.00 N ATOM 1346 CA ILE C 49 92.272 10.062 -35.143 1.00 0.00 C ATOM 1347 C ILE C 49 93.010 9.561 -36.383 1.00 0.00 C ATOM 1348 O ILE C 49 92.759 10.035 -37.492 1.00 0.00 O ATOM 1349 CB ILE C 49 92.969 11.311 -34.595 1.00 0.00 C ATOM 1350 CG1 ILE C 49 93.079 12.366 -35.700 1.00 0.00 C ATOM 1351 CG2 ILE C 49 94.370 10.945 -34.102 1.00 0.00 C ATOM 1352 CD1 ILE C 49 93.469 13.713 -35.086 1.00 0.00 C ATOM 0 H ILE C 49 92.733 9.255 -33.259 1.00 0.00 H new ATOM 0 HA ILE C 49 91.251 10.308 -35.436 1.00 0.00 H new ATOM 0 HB ILE C 49 92.386 11.712 -33.766 1.00 0.00 H new ATOM 0 HG12 ILE C 49 93.823 12.061 -36.435 1.00 0.00 H new ATOM 0 HG13 ILE C 49 92.129 12.456 -36.227 1.00 0.00 H new ATOM 0 HG21 ILE C 49 94.863 11.836 -33.713 1.00 0.00 H new ATOM 0 HG22 ILE C 49 94.294 10.198 -33.312 1.00 0.00 H new ATOM 0 HG23 ILE C 49 94.953 10.540 -34.929 1.00 0.00 H new ATOM 0 HD11 ILE C 49 93.547 14.463 -35.873 1.00 0.00 H new ATOM 0 HD12 ILE C 49 92.709 14.019 -34.367 1.00 0.00 H new ATOM 0 HD13 ILE C 49 94.429 13.618 -34.580 1.00 0.00 H new ATOM 1364 N LYS C 50 93.905 8.629 -36.204 1.00 0.00 N ATOM 1365 CA LYS C 50 94.662 8.096 -37.332 1.00 0.00 C ATOM 1366 C LYS C 50 93.732 7.427 -38.342 1.00 0.00 C ATOM 1367 O LYS C 50 93.844 7.655 -39.547 1.00 0.00 O ATOM 1368 CB LYS C 50 95.701 7.080 -36.838 1.00 0.00 C ATOM 1369 CG LYS C 50 96.682 6.720 -37.973 1.00 0.00 C ATOM 1370 CD LYS C 50 97.825 7.744 -38.031 1.00 0.00 C ATOM 1371 CE LYS C 50 98.835 7.322 -39.097 1.00 0.00 C ATOM 1372 NZ LYS C 50 99.949 8.311 -39.145 1.00 0.00 N ATOM 0 H LYS C 50 94.136 8.217 -35.300 1.00 0.00 H new ATOM 0 HA LYS C 50 95.171 8.926 -37.822 1.00 0.00 H new ATOM 0 HB2 LYS C 50 96.250 7.493 -35.992 1.00 0.00 H new ATOM 0 HB3 LYS C 50 95.199 6.180 -36.483 1.00 0.00 H new ATOM 0 HG2 LYS C 50 97.087 5.721 -37.810 1.00 0.00 H new ATOM 0 HG3 LYS C 50 96.154 6.699 -38.927 1.00 0.00 H new ATOM 0 HD2 LYS C 50 97.430 8.733 -38.261 1.00 0.00 H new ATOM 0 HD3 LYS C 50 98.314 7.814 -37.059 1.00 0.00 H new ATOM 0 HE2 LYS C 50 99.225 6.330 -38.871 1.00 0.00 H new ATOM 0 HE3 LYS C 50 98.348 7.259 -40.070 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 100.334 8.354 -40.110 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 99.592 9.249 -38.873 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 100.699 8.021 -38.486 1.00 0.00 H new ATOM 1386 N ARG C 51 92.832 6.615 -37.856 1.00 0.00 N ATOM 1387 CA ARG C 51 91.895 5.919 -38.735 1.00 0.00 C ATOM 1388 C ARG C 51 90.951 6.912 -39.407 1.00 0.00 C ATOM 1389 O ARG C 51 90.273 7.690 -38.736 1.00 0.00 O ATOM 1390 CB ARG C 51 91.084 4.892 -37.927 1.00 0.00 C ATOM 1391 CG ARG C 51 90.234 3.997 -38.868 1.00 0.00 C ATOM 1392 CD ARG C 51 88.780 4.489 -38.916 1.00 0.00 C ATOM 1393 NE ARG C 51 88.108 4.202 -37.654 1.00 0.00 N ATOM 1394 CZ ARG C 51 86.837 4.450 -37.495 1.00 0.00 C ATOM 1395 NH1 ARG C 51 86.145 4.963 -38.475 1.00 0.00 N ATOM 1396 NH2 ARG C 51 86.257 4.184 -36.356 1.00 0.00 N ATOM 0 H ARG C 51 92.718 6.411 -36.863 1.00 0.00 H new ATOM 0 HA ARG C 51 92.463 5.402 -39.508 1.00 0.00 H new ATOM 0 HB2 ARG C 51 91.759 4.271 -37.339 1.00 0.00 H new ATOM 0 HB3 ARG C 51 90.432 5.409 -37.223 1.00 0.00 H new ATOM 0 HG2 ARG C 51 90.660 4.007 -39.871 1.00 0.00 H new ATOM 0 HG3 ARG C 51 90.263 2.964 -38.520 1.00 0.00 H new ATOM 0 HD2 ARG C 51 88.758 5.561 -39.112 1.00 0.00 H new ATOM 0 HD3 ARG C 51 88.251 4.004 -39.736 1.00 0.00 H new ATOM 0 HE ARG C 51 88.641 3.801 -36.882 1.00 0.00 H new ATOM 0 HH11 ARG C 51 86.598 5.170 -39.365 1.00 0.00 H new ATOM 0 HH12 ARG C 51 85.151 5.157 -38.351 1.00 0.00 H new ATOM 0 HH21 ARG C 51 86.798 3.782 -35.590 1.00 0.00 H new ATOM 0 HH22 ARG C 51 85.263 4.378 -36.232 1.00 0.00 H new ATOM 1410 N GLY C 52 90.914 6.877 -40.711 1.00 0.00 N ATOM 1411 CA GLY C 52 90.048 7.777 -41.465 1.00 0.00 C ATOM 1412 C GLY C 52 90.529 9.220 -41.351 1.00 0.00 C ATOM 0 H GLY C 52 91.468 6.240 -41.284 1.00 0.00 H new ATOM 0 HA2 GLY C 52 90.030 7.477 -42.513 1.00 0.00 H new ATOM 0 HA3 GLY C 52 89.026 7.700 -41.094 1.00 0.00 H new TER 1416 GLY C 52 ATOM 1417 N SER D 23 84.728 -4.320 10.860 1.00 0.00 N ATOM 1418 CA SER D 23 85.573 -3.250 10.258 1.00 0.00 C ATOM 1419 C SER D 23 86.705 -3.888 9.457 1.00 0.00 C ATOM 1420 O SER D 23 87.858 -3.887 9.887 1.00 0.00 O ATOM 1421 CB SER D 23 86.151 -2.373 11.369 1.00 0.00 C ATOM 1422 OG SER D 23 86.785 -1.238 10.792 1.00 0.00 O ATOM 0 HA SER D 23 84.967 -2.634 9.594 1.00 0.00 H new ATOM 0 HB2 SER D 23 85.358 -2.056 12.047 1.00 0.00 H new ATOM 0 HB3 SER D 23 86.868 -2.942 11.961 1.00 0.00 H new ATOM 0 HG SER D 23 87.155 -0.674 11.503 1.00 0.00 H new ATOM 1427 N ASP D 24 86.372 -4.420 8.310 1.00 0.00 N ATOM 1428 CA ASP D 24 87.362 -5.056 7.446 1.00 0.00 C ATOM 1429 C ASP D 24 87.996 -4.006 6.523 1.00 0.00 C ATOM 1430 O ASP D 24 87.269 -3.360 5.775 1.00 0.00 O ATOM 1431 CB ASP D 24 86.679 -6.123 6.589 1.00 0.00 C ATOM 1432 CG ASP D 24 87.718 -6.867 5.759 1.00 0.00 C ATOM 1433 OD1 ASP D 24 88.290 -7.814 6.271 1.00 0.00 O ATOM 1434 OD2 ASP D 24 87.927 -6.478 4.621 1.00 0.00 O ATOM 0 H ASP D 24 85.421 -4.431 7.941 1.00 0.00 H new ATOM 0 HA ASP D 24 88.134 -5.514 8.064 1.00 0.00 H new ATOM 0 HB2 ASP D 24 86.141 -6.824 7.227 1.00 0.00 H new ATOM 0 HB3 ASP D 24 85.942 -5.658 5.934 1.00 0.00 H new ATOM 1439 N PRO D 25 89.306 -3.811 6.554 1.00 0.00 N ATOM 1440 CA PRO D 25 89.998 -2.804 5.681 1.00 0.00 C ATOM 1441 C PRO D 25 89.474 -2.775 4.238 1.00 0.00 C ATOM 1442 O PRO D 25 90.141 -3.236 3.312 1.00 0.00 O ATOM 1443 CB PRO D 25 91.460 -3.258 5.723 1.00 0.00 C ATOM 1444 CG PRO D 25 91.626 -3.869 7.074 1.00 0.00 C ATOM 1445 CD PRO D 25 90.279 -4.513 7.423 1.00 0.00 C ATOM 0 HA PRO D 25 89.834 -1.787 6.036 1.00 0.00 H new ATOM 0 HB2 PRO D 25 91.674 -3.978 4.933 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.140 -2.418 5.582 1.00 0.00 H new ATOM 0 HG2 PRO D 25 92.423 -4.613 7.069 1.00 0.00 H new ATOM 0 HG3 PRO D 25 91.899 -3.114 7.811 1.00 0.00 H new ATOM 0 HD2 PRO D 25 90.287 -5.585 7.227 1.00 0.00 H new ATOM 0 HD3 PRO D 25 90.037 -4.384 8.478 1.00 0.00 H new ATOM 1453 N LEU D 26 88.301 -2.232 4.065 1.00 0.00 N ATOM 1454 CA LEU D 26 87.690 -2.134 2.745 1.00 0.00 C ATOM 1455 C LEU D 26 88.482 -1.150 1.876 1.00 0.00 C ATOM 1456 O LEU D 26 88.663 -1.364 0.677 1.00 0.00 O ATOM 1457 CB LEU D 26 86.227 -1.659 2.902 1.00 0.00 C ATOM 1458 CG LEU D 26 85.326 -2.253 1.795 1.00 0.00 C ATOM 1459 CD1 LEU D 26 84.883 -3.673 2.176 1.00 0.00 C ATOM 1460 CD2 LEU D 26 84.080 -1.376 1.623 1.00 0.00 C ATOM 0 H LEU D 26 87.736 -1.844 4.821 1.00 0.00 H new ATOM 0 HA LEU D 26 87.702 -3.109 2.258 1.00 0.00 H new ATOM 0 HB2 LEU D 26 85.849 -1.955 3.881 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.189 -0.570 2.861 1.00 0.00 H new ATOM 0 HG LEU D 26 85.892 -2.287 0.864 1.00 0.00 H new ATOM 0 HD11 LEU D 26 84.249 -4.080 1.388 1.00 0.00 H new ATOM 0 HD12 LEU D 26 85.761 -4.307 2.299 1.00 0.00 H new ATOM 0 HD13 LEU D 26 84.324 -3.641 3.111 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.445 -1.795 0.842 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.527 -1.342 2.562 1.00 0.00 H new ATOM 0 HD23 LEU D 26 84.381 -0.367 1.343 1.00 0.00 H new ATOM 1472 N VAL D 27 88.915 -0.081 2.490 1.00 0.00 N ATOM 1473 CA VAL D 27 89.661 0.966 1.796 1.00 0.00 C ATOM 1474 C VAL D 27 90.968 0.453 1.183 1.00 0.00 C ATOM 1475 O VAL D 27 91.237 0.703 0.007 1.00 0.00 O ATOM 1476 CB VAL D 27 89.977 2.098 2.784 1.00 0.00 C ATOM 1477 CG1 VAL D 27 90.769 3.214 2.090 1.00 0.00 C ATOM 1478 CG2 VAL D 27 88.667 2.676 3.328 1.00 0.00 C ATOM 0 H VAL D 27 88.767 0.100 3.483 1.00 0.00 H new ATOM 0 HA VAL D 27 89.036 1.324 0.978 1.00 0.00 H new ATOM 0 HB VAL D 27 90.577 1.694 3.599 1.00 0.00 H new ATOM 0 HG11 VAL D 27 90.984 4.007 2.806 1.00 0.00 H new ATOM 0 HG12 VAL D 27 91.705 2.810 1.704 1.00 0.00 H new ATOM 0 HG13 VAL D 27 90.182 3.618 1.266 1.00 0.00 H new ATOM 0 HG21 VAL D 27 88.888 3.480 4.030 1.00 0.00 H new ATOM 0 HG22 VAL D 27 88.072 3.068 2.503 1.00 0.00 H new ATOM 0 HG23 VAL D 27 88.108 1.892 3.839 1.00 0.00 H new ATOM 1488 N VAL D 28 91.774 -0.235 1.953 1.00 0.00 N ATOM 1489 CA VAL D 28 93.051 -0.757 1.461 1.00 0.00 C ATOM 1490 C VAL D 28 92.874 -1.944 0.514 1.00 0.00 C ATOM 1491 O VAL D 28 93.738 -2.220 -0.320 1.00 0.00 O ATOM 1492 CB VAL D 28 93.940 -1.166 2.648 1.00 0.00 C ATOM 1493 CG1 VAL D 28 93.489 -2.519 3.205 1.00 0.00 C ATOM 1494 CG2 VAL D 28 95.396 -1.275 2.183 1.00 0.00 C ATOM 0 H VAL D 28 91.578 -0.454 2.930 1.00 0.00 H new ATOM 0 HA VAL D 28 93.528 0.042 0.893 1.00 0.00 H new ATOM 0 HB VAL D 28 93.855 -0.410 3.429 1.00 0.00 H new ATOM 0 HG11 VAL D 28 94.126 -2.797 4.045 1.00 0.00 H new ATOM 0 HG12 VAL D 28 92.455 -2.447 3.542 1.00 0.00 H new ATOM 0 HG13 VAL D 28 93.565 -3.277 2.425 1.00 0.00 H new ATOM 0 HG21 VAL D 28 96.026 -1.565 3.024 1.00 0.00 H new ATOM 0 HG22 VAL D 28 95.472 -2.027 1.397 1.00 0.00 H new ATOM 0 HG23 VAL D 28 95.728 -0.311 1.797 1.00 0.00 H new ATOM 1504 N ALA D 29 91.787 -2.640 0.665 1.00 0.00 N ATOM 1505 CA ALA D 29 91.523 -3.811 -0.162 1.00 0.00 C ATOM 1506 C ALA D 29 91.346 -3.427 -1.626 1.00 0.00 C ATOM 1507 O ALA D 29 91.919 -4.058 -2.513 1.00 0.00 O ATOM 1508 CB ALA D 29 90.269 -4.531 0.339 1.00 0.00 C ATOM 0 H ALA D 29 91.060 -2.429 1.349 1.00 0.00 H new ATOM 0 HA ALA D 29 92.382 -4.477 -0.087 1.00 0.00 H new ATOM 0 HB1 ALA D 29 90.078 -5.405 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA D 29 90.419 -4.847 1.371 1.00 0.00 H new ATOM 0 HB3 ALA D 29 89.416 -3.855 0.287 1.00 0.00 H new ATOM 1514 N ALA D 30 90.563 -2.415 -1.873 1.00 0.00 N ATOM 1515 CA ALA D 30 90.341 -1.996 -3.240 1.00 0.00 C ATOM 1516 C ALA D 30 91.605 -1.343 -3.797 1.00 0.00 C ATOM 1517 O ALA D 30 92.065 -1.685 -4.886 1.00 0.00 O ATOM 1518 CB ALA D 30 89.166 -1.041 -3.280 1.00 0.00 C ATOM 0 H ALA D 30 90.073 -1.869 -1.164 1.00 0.00 H new ATOM 0 HA ALA D 30 90.110 -2.860 -3.863 1.00 0.00 H new ATOM 0 HB1 ALA D 30 88.992 -0.721 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA D 30 88.276 -1.543 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA D 30 89.383 -0.171 -2.660 1.00 0.00 H new ATOM 1524 N SER D 31 92.126 -0.394 -3.070 1.00 0.00 N ATOM 1525 CA SER D 31 93.312 0.341 -3.497 1.00 0.00 C ATOM 1526 C SER D 31 94.440 -0.576 -3.978 1.00 0.00 C ATOM 1527 O SER D 31 95.116 -0.248 -4.953 1.00 0.00 O ATOM 1528 CB SER D 31 93.822 1.198 -2.341 1.00 0.00 C ATOM 1529 OG SER D 31 95.041 1.823 -2.721 1.00 0.00 O ATOM 0 H SER D 31 91.752 -0.100 -2.168 1.00 0.00 H new ATOM 0 HA SER D 31 93.016 0.963 -4.342 1.00 0.00 H new ATOM 0 HB2 SER D 31 93.080 1.952 -2.077 1.00 0.00 H new ATOM 0 HB3 SER D 31 93.977 0.580 -1.456 1.00 0.00 H new ATOM 0 HG SER D 31 95.370 2.375 -1.981 1.00 0.00 H new ATOM 1535 N ILE D 32 94.670 -1.682 -3.318 1.00 0.00 N ATOM 1536 CA ILE D 32 95.752 -2.584 -3.718 1.00 0.00 C ATOM 1537 C ILE D 32 95.702 -2.891 -5.226 1.00 0.00 C ATOM 1538 O ILE D 32 96.734 -3.099 -5.861 1.00 0.00 O ATOM 1539 CB ILE D 32 95.657 -3.878 -2.867 1.00 0.00 C ATOM 1540 CG1 ILE D 32 97.055 -4.464 -2.598 1.00 0.00 C ATOM 1541 CG2 ILE D 32 94.785 -4.934 -3.556 1.00 0.00 C ATOM 1542 CD1 ILE D 32 97.805 -4.708 -3.911 1.00 0.00 C ATOM 0 H ILE D 32 94.135 -1.990 -2.506 1.00 0.00 H new ATOM 0 HA ILE D 32 96.713 -2.102 -3.536 1.00 0.00 H new ATOM 0 HB ILE D 32 95.195 -3.606 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE D 32 97.626 -3.780 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE D 32 96.962 -5.400 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE D 32 94.738 -5.829 -2.935 1.00 0.00 H new ATOM 0 HG22 ILE D 32 93.779 -4.538 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE D 32 95.217 -5.187 -4.524 1.00 0.00 H new ATOM 0 HD11 ILE D 32 98.790 -5.122 -3.696 1.00 0.00 H new ATOM 0 HD12 ILE D 32 97.243 -5.410 -4.526 1.00 0.00 H new ATOM 0 HD13 ILE D 32 97.917 -3.765 -4.447 1.00 0.00 H new ATOM 1554 N ILE D 33 94.527 -2.865 -5.789 1.00 0.00 N ATOM 1555 CA ILE D 33 94.352 -3.087 -7.225 1.00 0.00 C ATOM 1556 C ILE D 33 94.835 -1.862 -8.007 1.00 0.00 C ATOM 1557 O ILE D 33 95.199 -1.943 -9.180 1.00 0.00 O ATOM 1558 CB ILE D 33 92.878 -3.358 -7.542 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.326 -4.389 -6.553 1.00 0.00 C ATOM 1560 CG2 ILE D 33 92.759 -3.909 -8.965 1.00 0.00 C ATOM 1561 CD1 ILE D 33 90.894 -4.756 -6.943 1.00 0.00 C ATOM 0 H ILE D 33 93.659 -2.692 -5.283 1.00 0.00 H new ATOM 0 HA ILE D 33 94.942 -3.954 -7.520 1.00 0.00 H new ATOM 0 HB ILE D 33 92.311 -2.431 -7.459 1.00 0.00 H new ATOM 0 HG12 ILE D 33 92.954 -5.280 -6.553 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.346 -3.985 -5.541 1.00 0.00 H new ATOM 0 HG21 ILE D 33 91.711 -4.103 -9.194 1.00 0.00 H new ATOM 0 HG22 ILE D 33 93.156 -3.180 -9.672 1.00 0.00 H new ATOM 0 HG23 ILE D 33 93.325 -4.837 -9.044 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.502 -5.490 -6.239 1.00 0.00 H new ATOM 0 HD12 ILE D 33 90.270 -3.862 -6.921 1.00 0.00 H new ATOM 0 HD13 ILE D 33 90.887 -5.178 -7.948 1.00 0.00 H new ATOM 1573 N GLY D 34 94.806 -0.749 -7.331 1.00 0.00 N ATOM 1574 CA GLY D 34 95.207 0.532 -7.909 1.00 0.00 C ATOM 1575 C GLY D 34 96.568 0.462 -8.608 1.00 0.00 C ATOM 1576 O GLY D 34 96.710 0.915 -9.745 1.00 0.00 O ATOM 0 H GLY D 34 94.505 -0.689 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY D 34 94.451 0.856 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY D 34 95.245 1.286 -7.122 1.00 0.00 H new ATOM 1580 N ILE D 35 97.552 -0.068 -7.933 1.00 0.00 N ATOM 1581 CA ILE D 35 98.896 -0.152 -8.503 1.00 0.00 C ATOM 1582 C ILE D 35 98.965 -1.134 -9.674 1.00 0.00 C ATOM 1583 O ILE D 35 99.778 -0.964 -10.581 1.00 0.00 O ATOM 1584 CB ILE D 35 99.902 -0.556 -7.420 1.00 0.00 C ATOM 1585 CG1 ILE D 35 99.472 -1.880 -6.781 1.00 0.00 C ATOM 1586 CG2 ILE D 35 99.952 0.530 -6.342 1.00 0.00 C ATOM 1587 CD1 ILE D 35 100.602 -2.410 -5.897 1.00 0.00 C ATOM 0 H ILE D 35 97.463 -0.450 -6.991 1.00 0.00 H new ATOM 0 HA ILE D 35 99.149 0.836 -8.889 1.00 0.00 H new ATOM 0 HB ILE D 35 100.887 -0.674 -7.871 1.00 0.00 H new ATOM 0 HG12 ILE D 35 98.570 -1.733 -6.187 1.00 0.00 H new ATOM 0 HG13 ILE D 35 99.230 -2.608 -7.555 1.00 0.00 H new ATOM 0 HG21 ILE D 35 100.667 0.244 -5.571 1.00 0.00 H new ATOM 0 HG22 ILE D 35 100.260 1.474 -6.791 1.00 0.00 H new ATOM 0 HG23 ILE D 35 98.964 0.646 -5.896 1.00 0.00 H new ATOM 0 HD11 ILE D 35 100.297 -3.352 -5.442 1.00 0.00 H new ATOM 0 HD12 ILE D 35 101.493 -2.572 -6.504 1.00 0.00 H new ATOM 0 HD13 ILE D 35 100.823 -1.684 -5.115 1.00 0.00 H new ATOM 1599 N LEU D 36 98.136 -2.142 -9.654 1.00 0.00 N ATOM 1600 CA LEU D 36 98.139 -3.133 -10.732 1.00 0.00 C ATOM 1601 C LEU D 36 97.879 -2.456 -12.076 1.00 0.00 C ATOM 1602 O LEU D 36 98.613 -2.663 -13.043 1.00 0.00 O ATOM 1603 CB LEU D 36 97.049 -4.182 -10.470 1.00 0.00 C ATOM 1604 CG LEU D 36 97.280 -5.431 -11.348 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.279 -6.382 -10.672 1.00 0.00 C ATOM 1606 CD2 LEU D 36 95.950 -6.170 -11.554 1.00 0.00 C ATOM 0 H LEU D 36 97.451 -2.311 -8.918 1.00 0.00 H new ATOM 0 HA LEU D 36 99.115 -3.616 -10.762 1.00 0.00 H new ATOM 0 HB2 LEU D 36 97.053 -4.464 -9.417 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.068 -3.757 -10.682 1.00 0.00 H new ATOM 0 HG LEU D 36 97.682 -5.111 -12.309 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.432 -7.258 -11.303 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.230 -5.869 -10.528 1.00 0.00 H new ATOM 0 HD13 LEU D 36 97.886 -6.696 -9.705 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.116 -7.051 -12.174 1.00 0.00 H new ATOM 0 HD22 LEU D 36 95.550 -6.476 -10.587 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.238 -5.508 -12.047 1.00 0.00 H new ATOM 1618 N HIS D 37 96.842 -1.671 -12.120 1.00 0.00 N ATOM 1619 CA HIS D 37 96.479 -0.973 -13.349 1.00 0.00 C ATOM 1620 C HIS D 37 97.560 0.035 -13.746 1.00 0.00 C ATOM 1621 O HIS D 37 97.752 0.317 -14.929 1.00 0.00 O ATOM 1622 CB HIS D 37 95.116 -0.276 -13.192 1.00 0.00 C ATOM 1623 CG HIS D 37 95.237 0.970 -12.351 1.00 0.00 C ATOM 1624 ND1 HIS D 37 96.190 1.948 -12.598 1.00 0.00 N ATOM 1625 CD2 HIS D 37 94.517 1.417 -11.272 1.00 0.00 C ATOM 1626 CE1 HIS D 37 96.019 2.921 -11.688 1.00 0.00 C ATOM 1627 NE2 HIS D 37 95.012 2.649 -10.854 1.00 0.00 N ATOM 0 H HIS D 37 96.225 -1.489 -11.328 1.00 0.00 H new ATOM 0 HA HIS D 37 96.398 -1.711 -14.147 1.00 0.00 H new ATOM 0 HB2 HIS D 37 94.721 -0.018 -14.175 1.00 0.00 H new ATOM 0 HB3 HIS D 37 94.404 -0.961 -12.732 1.00 0.00 H new ATOM 0 HD2 HIS D 37 93.691 0.892 -10.816 1.00 0.00 H new ATOM 0 HE1 HIS D 37 96.623 3.815 -11.637 1.00 0.00 H new ATOM 0 HE2 HIS D 37 94.678 3.221 -10.078 1.00 0.00 H new ATOM 1636 N PHE D 38 98.244 0.571 -12.768 1.00 0.00 N ATOM 1637 CA PHE D 38 99.295 1.553 -13.029 1.00 0.00 C ATOM 1638 C PHE D 38 100.509 0.906 -13.698 1.00 0.00 C ATOM 1639 O PHE D 38 101.004 1.401 -14.708 1.00 0.00 O ATOM 1640 CB PHE D 38 99.723 2.222 -11.716 1.00 0.00 C ATOM 1641 CG PHE D 38 100.919 3.120 -11.959 1.00 0.00 C ATOM 1642 CD1 PHE D 38 100.735 4.456 -12.344 1.00 0.00 C ATOM 1643 CD2 PHE D 38 102.215 2.613 -11.798 1.00 0.00 C ATOM 1644 CE1 PHE D 38 101.846 5.279 -12.568 1.00 0.00 C ATOM 1645 CE2 PHE D 38 103.324 3.437 -12.022 1.00 0.00 C ATOM 1646 CZ PHE D 38 103.140 4.770 -12.406 1.00 0.00 C ATOM 0 H PHE D 38 98.102 0.353 -11.782 1.00 0.00 H new ATOM 0 HA PHE D 38 98.892 2.304 -13.709 1.00 0.00 H new ATOM 0 HB2 PHE D 38 98.897 2.805 -11.309 1.00 0.00 H new ATOM 0 HB3 PHE D 38 99.973 1.462 -10.975 1.00 0.00 H new ATOM 0 HD1 PHE D 38 99.737 4.850 -12.468 1.00 0.00 H new ATOM 0 HD2 PHE D 38 102.359 1.585 -11.501 1.00 0.00 H new ATOM 0 HE1 PHE D 38 101.704 6.307 -12.866 1.00 0.00 H new ATOM 0 HE2 PHE D 38 104.322 3.044 -11.898 1.00 0.00 H new ATOM 0 HZ PHE D 38 103.996 5.406 -12.577 1.00 0.00 H new ATOM 1656 N ILE D 39 100.986 -0.172 -13.134 1.00 0.00 N ATOM 1657 CA ILE D 39 102.152 -0.857 -13.685 1.00 0.00 C ATOM 1658 C ILE D 39 101.832 -1.496 -15.030 1.00 0.00 C ATOM 1659 O ILE D 39 102.670 -1.519 -15.932 1.00 0.00 O ATOM 1660 CB ILE D 39 102.628 -1.938 -12.715 1.00 0.00 C ATOM 1661 CG1 ILE D 39 102.955 -1.305 -11.361 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.882 -2.608 -13.278 1.00 0.00 C ATOM 1663 CD1 ILE D 39 103.189 -2.405 -10.327 1.00 0.00 C ATOM 0 H ILE D 39 100.595 -0.603 -12.296 1.00 0.00 H new ATOM 0 HA ILE D 39 102.938 -0.116 -13.830 1.00 0.00 H new ATOM 0 HB ILE D 39 101.841 -2.682 -12.587 1.00 0.00 H new ATOM 0 HG12 ILE D 39 103.842 -0.677 -11.446 1.00 0.00 H new ATOM 0 HG13 ILE D 39 102.136 -0.660 -11.042 1.00 0.00 H new ATOM 0 HG21 ILE D 39 104.223 -3.379 -12.588 1.00 0.00 H new ATOM 0 HG22 ILE D 39 103.651 -3.060 -14.242 1.00 0.00 H new ATOM 0 HG23 ILE D 39 104.667 -1.862 -13.406 1.00 0.00 H new ATOM 0 HD11 ILE D 39 103.422 -1.954 -9.362 1.00 0.00 H new ATOM 0 HD12 ILE D 39 102.290 -3.015 -10.235 1.00 0.00 H new ATOM 0 HD13 ILE D 39 104.022 -3.032 -10.645 1.00 0.00 H new ATOM 1675 N ALA D 40 100.642 -2.008 -15.158 1.00 0.00 N ATOM 1676 CA ALA D 40 100.231 -2.645 -16.399 1.00 0.00 C ATOM 1677 C ALA D 40 100.077 -1.611 -17.497 1.00 0.00 C ATOM 1678 O ALA D 40 100.236 -1.918 -18.666 1.00 0.00 O ATOM 1679 CB ALA D 40 98.909 -3.389 -16.194 1.00 0.00 C ATOM 0 H ALA D 40 99.932 -2.002 -14.426 1.00 0.00 H new ATOM 0 HA ALA D 40 101.000 -3.359 -16.695 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.609 -3.863 -17.129 1.00 0.00 H new ATOM 0 HB2 ALA D 40 99.036 -4.151 -15.425 1.00 0.00 H new ATOM 0 HB3 ALA D 40 98.139 -2.683 -15.882 1.00 0.00 H new ATOM 1685 N TRP D 41 99.748 -0.417 -17.120 1.00 0.00 N ATOM 1686 CA TRP D 41 99.552 0.657 -18.086 1.00 0.00 C ATOM 1687 C TRP D 41 100.793 0.874 -18.951 1.00 0.00 C ATOM 1688 O TRP D 41 100.691 1.167 -20.142 1.00 0.00 O ATOM 1689 CB TRP D 41 99.229 1.943 -17.322 1.00 0.00 C ATOM 1690 CG TRP D 41 98.928 3.054 -18.276 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.816 3.617 -19.132 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.670 3.762 -18.468 1.00 0.00 C ATOM 1693 NE1 TRP D 41 99.172 4.604 -19.855 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.851 4.734 -19.478 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.399 3.653 -17.874 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.810 5.566 -19.885 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.350 4.496 -18.277 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.557 5.449 -19.284 1.00 0.00 C ATOM 0 H TRP D 41 99.605 -0.144 -16.148 1.00 0.00 H new ATOM 0 HA TRP D 41 98.732 0.383 -18.750 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.375 1.778 -16.665 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.072 2.218 -16.688 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.855 3.340 -19.233 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.619 5.167 -20.579 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.229 2.916 -17.103 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.973 6.298 -20.662 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.380 4.410 -17.809 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.747 6.092 -19.594 1.00 0.00 H new ATOM 1709 N THR D 42 101.936 0.787 -18.336 1.00 0.00 N ATOM 1710 CA THR D 42 103.208 1.035 -19.014 1.00 0.00 C ATOM 1711 C THR D 42 103.358 0.297 -20.349 1.00 0.00 C ATOM 1712 O THR D 42 103.805 0.896 -21.327 1.00 0.00 O ATOM 1713 CB THR D 42 104.362 0.637 -18.089 1.00 0.00 C ATOM 1714 OG1 THR D 42 104.202 -0.713 -17.681 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.363 1.544 -16.859 1.00 0.00 C ATOM 0 H THR D 42 102.030 0.543 -17.350 1.00 0.00 H new ATOM 0 HA THR D 42 103.229 2.100 -19.244 1.00 0.00 H new ATOM 0 HB THR D 42 105.307 0.744 -18.622 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.543 -0.760 -16.957 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.184 1.262 -16.200 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.488 2.581 -17.171 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.417 1.437 -16.327 1.00 0.00 H new ATOM 1723 N ILE D 43 103.035 -0.968 -20.406 1.00 0.00 N ATOM 1724 CA ILE D 43 103.212 -1.697 -21.668 1.00 0.00 C ATOM 1725 C ILE D 43 102.549 -0.958 -22.840 1.00 0.00 C ATOM 1726 O ILE D 43 103.000 -1.077 -23.976 1.00 0.00 O ATOM 1727 CB ILE D 43 102.723 -3.171 -21.558 1.00 0.00 C ATOM 1728 CG1 ILE D 43 101.285 -3.368 -22.099 1.00 0.00 C ATOM 1729 CG2 ILE D 43 102.777 -3.629 -20.100 1.00 0.00 C ATOM 1730 CD1 ILE D 43 100.271 -2.492 -21.350 1.00 0.00 C ATOM 0 H ILE D 43 102.659 -1.514 -19.631 1.00 0.00 H new ATOM 0 HA ILE D 43 104.282 -1.735 -21.874 1.00 0.00 H new ATOM 0 HB ILE D 43 103.392 -3.772 -22.174 1.00 0.00 H new ATOM 0 HG12 ILE D 43 101.260 -3.126 -23.162 1.00 0.00 H new ATOM 0 HG13 ILE D 43 101.001 -4.416 -22.004 1.00 0.00 H new ATOM 0 HG21 ILE D 43 102.434 -4.661 -20.030 1.00 0.00 H new ATOM 0 HG22 ILE D 43 103.802 -3.562 -19.735 1.00 0.00 H new ATOM 0 HG23 ILE D 43 102.134 -2.991 -19.494 1.00 0.00 H new ATOM 0 HD11 ILE D 43 99.274 -2.659 -21.759 1.00 0.00 H new ATOM 0 HD12 ILE D 43 100.277 -2.752 -20.291 1.00 0.00 H new ATOM 0 HD13 ILE D 43 100.540 -1.442 -21.467 1.00 0.00 H new ATOM 1742 N GLY D 44 101.505 -0.217 -22.566 1.00 0.00 N ATOM 1743 CA GLY D 44 100.804 0.522 -23.620 1.00 0.00 C ATOM 1744 C GLY D 44 101.766 1.448 -24.363 1.00 0.00 C ATOM 1745 O GLY D 44 101.777 1.494 -25.594 1.00 0.00 O ATOM 0 H GLY D 44 101.113 -0.101 -21.632 1.00 0.00 H new ATOM 0 HA2 GLY D 44 100.351 -0.178 -24.322 1.00 0.00 H new ATOM 0 HA3 GLY D 44 99.993 1.106 -23.184 1.00 0.00 H new ATOM 1749 N HIS D 45 102.499 2.226 -23.617 1.00 0.00 N ATOM 1750 CA HIS D 45 103.403 3.220 -24.182 1.00 0.00 C ATOM 1751 C HIS D 45 104.176 2.699 -25.394 1.00 0.00 C ATOM 1752 O HIS D 45 104.573 3.485 -26.253 1.00 0.00 O ATOM 1753 CB HIS D 45 104.387 3.673 -23.106 1.00 0.00 C ATOM 1754 CG HIS D 45 105.296 4.727 -23.670 1.00 0.00 C ATOM 1755 ND1 HIS D 45 106.635 4.488 -23.929 1.00 0.00 N ATOM 1756 CD2 HIS D 45 105.071 6.032 -24.035 1.00 0.00 C ATOM 1757 CE1 HIS D 45 107.162 5.623 -24.426 1.00 0.00 C ATOM 1758 NE2 HIS D 45 106.250 6.595 -24.511 1.00 0.00 N ATOM 0 H HIS D 45 102.495 2.198 -22.597 1.00 0.00 H new ATOM 0 HA HIS D 45 102.793 4.055 -24.527 1.00 0.00 H new ATOM 0 HB2 HIS D 45 103.846 4.067 -22.246 1.00 0.00 H new ATOM 0 HB3 HIS D 45 104.972 2.824 -22.753 1.00 0.00 H new ATOM 0 HD2 HIS D 45 104.122 6.543 -23.963 1.00 0.00 H new ATOM 0 HE1 HIS D 45 108.195 5.734 -24.720 1.00 0.00 H new ATOM 0 HE2 HIS D 45 106.389 7.546 -24.852 1.00 0.00 H new ATOM 1767 N LEU D 46 104.351 1.415 -25.498 1.00 0.00 N ATOM 1768 CA LEU D 46 105.042 0.881 -26.672 1.00 0.00 C ATOM 1769 C LEU D 46 104.300 1.376 -27.929 1.00 0.00 C ATOM 1770 O LEU D 46 104.906 1.839 -28.894 1.00 0.00 O ATOM 1771 CB LEU D 46 105.158 -0.678 -26.583 1.00 0.00 C ATOM 1772 CG LEU D 46 104.128 -1.451 -27.456 1.00 0.00 C ATOM 1773 CD1 LEU D 46 104.651 -2.874 -27.709 1.00 0.00 C ATOM 1774 CD2 LEU D 46 102.778 -1.549 -26.721 1.00 0.00 C ATOM 0 H LEU D 46 104.042 0.722 -24.816 1.00 0.00 H new ATOM 0 HA LEU D 46 106.069 1.242 -26.723 1.00 0.00 H new ATOM 0 HB2 LEU D 46 106.164 -0.973 -26.883 1.00 0.00 H new ATOM 0 HB3 LEU D 46 105.034 -0.980 -25.543 1.00 0.00 H new ATOM 0 HG LEU D 46 103.992 -0.920 -28.398 1.00 0.00 H new ATOM 0 HD11 LEU D 46 103.934 -3.422 -28.320 1.00 0.00 H new ATOM 0 HD12 LEU D 46 105.607 -2.823 -28.229 1.00 0.00 H new ATOM 0 HD13 LEU D 46 104.783 -3.388 -26.757 1.00 0.00 H new ATOM 0 HD21 LEU D 46 102.065 -2.092 -27.341 1.00 0.00 H new ATOM 0 HD22 LEU D 46 102.915 -2.078 -25.778 1.00 0.00 H new ATOM 0 HD23 LEU D 46 102.398 -0.547 -26.523 1.00 0.00 H new ATOM 1786 N ASN D 47 103.008 1.214 -27.896 1.00 0.00 N ATOM 1787 CA ASN D 47 102.140 1.570 -29.025 1.00 0.00 C ATOM 1788 C ASN D 47 102.489 2.949 -29.602 1.00 0.00 C ATOM 1789 O ASN D 47 102.478 3.132 -30.820 1.00 0.00 O ATOM 1790 CB ASN D 47 100.681 1.571 -28.564 1.00 0.00 C ATOM 1791 CG ASN D 47 100.240 0.157 -28.200 1.00 0.00 C ATOM 1792 OD1 ASN D 47 100.130 -0.706 -29.071 1.00 0.00 O ATOM 1793 ND2 ASN D 47 99.976 -0.132 -26.954 1.00 0.00 N ATOM 0 H ASN D 47 102.509 0.832 -27.093 1.00 0.00 H new ATOM 0 HA ASN D 47 102.292 0.829 -29.809 1.00 0.00 H new ATOM 0 HB2 ASN D 47 100.565 2.229 -27.702 1.00 0.00 H new ATOM 0 HB3 ASN D 47 100.043 1.966 -29.355 1.00 0.00 H new ATOM 0 HD21 ASN D 47 99.678 -1.074 -26.701 1.00 0.00 H new ATOM 0 HD22 ASN D 47 100.068 0.584 -26.234 1.00 0.00 H new ATOM 1800 N GLN D 48 102.806 3.892 -28.760 1.00 0.00 N ATOM 1801 CA GLN D 48 103.170 5.226 -29.237 1.00 0.00 C ATOM 1802 C GLN D 48 104.464 5.160 -30.055 1.00 0.00 C ATOM 1803 O GLN D 48 104.474 5.477 -31.245 1.00 0.00 O ATOM 1804 CB GLN D 48 103.360 6.190 -28.054 1.00 0.00 C ATOM 1805 CG GLN D 48 102.358 5.863 -26.947 1.00 0.00 C ATOM 1806 CD GLN D 48 100.936 5.928 -27.484 1.00 0.00 C ATOM 1807 OE1 GLN D 48 100.276 6.957 -27.363 1.00 0.00 O ATOM 1808 NE2 GLN D 48 100.423 4.881 -28.070 1.00 0.00 N ATOM 0 H GLN D 48 102.824 3.779 -27.746 1.00 0.00 H new ATOM 0 HA GLN D 48 102.362 5.595 -29.868 1.00 0.00 H new ATOM 0 HB2 GLN D 48 104.377 6.111 -27.670 1.00 0.00 H new ATOM 0 HB3 GLN D 48 103.224 7.219 -28.387 1.00 0.00 H new ATOM 0 HG2 GLN D 48 102.558 4.868 -26.549 1.00 0.00 H new ATOM 0 HG3 GLN D 48 102.475 6.566 -26.122 1.00 0.00 H new ATOM 0 HE21 GLN D 48 100.976 4.029 -28.168 1.00 0.00 H new ATOM 0 HE22 GLN D 48 99.469 4.914 -28.430 1.00 0.00 H new ATOM 1817 N ILE D 49 105.535 4.768 -29.403 1.00 0.00 N ATOM 1818 CA ILE D 49 106.852 4.671 -30.045 1.00 0.00 C ATOM 1819 C ILE D 49 106.737 4.232 -31.507 1.00 0.00 C ATOM 1820 O ILE D 49 106.940 5.034 -32.418 1.00 0.00 O ATOM 1821 CB ILE D 49 107.738 3.681 -29.279 1.00 0.00 C ATOM 1822 CG1 ILE D 49 108.012 4.230 -27.875 1.00 0.00 C ATOM 1823 CG2 ILE D 49 109.067 3.497 -30.021 1.00 0.00 C ATOM 1824 CD1 ILE D 49 108.688 3.156 -27.017 1.00 0.00 C ATOM 0 H ILE D 49 105.532 4.506 -28.417 1.00 0.00 H new ATOM 0 HA ILE D 49 107.303 5.663 -30.024 1.00 0.00 H new ATOM 0 HB ILE D 49 107.229 2.720 -29.206 1.00 0.00 H new ATOM 0 HG12 ILE D 49 108.650 5.112 -27.938 1.00 0.00 H new ATOM 0 HG13 ILE D 49 107.078 4.545 -27.410 1.00 0.00 H new ATOM 0 HG21 ILE D 49 109.694 2.793 -29.474 1.00 0.00 H new ATOM 0 HG22 ILE D 49 108.874 3.110 -31.022 1.00 0.00 H new ATOM 0 HG23 ILE D 49 109.578 4.457 -30.095 1.00 0.00 H new ATOM 0 HD11 ILE D 49 108.880 3.554 -26.020 1.00 0.00 H new ATOM 0 HD12 ILE D 49 108.035 2.287 -26.941 1.00 0.00 H new ATOM 0 HD13 ILE D 49 109.631 2.862 -27.478 1.00 0.00 H new ATOM 1836 N LYS D 50 106.422 2.983 -31.723 1.00 0.00 N ATOM 1837 CA LYS D 50 106.295 2.471 -33.083 1.00 0.00 C ATOM 1838 C LYS D 50 105.415 3.401 -33.913 1.00 0.00 C ATOM 1839 O LYS D 50 105.766 3.762 -35.036 1.00 0.00 O ATOM 1840 CB LYS D 50 105.683 1.065 -33.060 1.00 0.00 C ATOM 1841 CG LYS D 50 105.778 0.413 -34.454 1.00 0.00 C ATOM 1842 CD LYS D 50 107.141 -0.267 -34.634 1.00 0.00 C ATOM 1843 CE LYS D 50 107.165 -1.010 -35.970 1.00 0.00 C ATOM 1844 NZ LYS D 50 108.491 -1.669 -36.148 1.00 0.00 N ATOM 0 H LYS D 50 106.248 2.297 -30.989 1.00 0.00 H new ATOM 0 HA LYS D 50 107.287 2.422 -33.533 1.00 0.00 H new ATOM 0 HB2 LYS D 50 106.202 0.448 -32.327 1.00 0.00 H new ATOM 0 HB3 LYS D 50 104.640 1.121 -32.748 1.00 0.00 H new ATOM 0 HG2 LYS D 50 104.980 -0.320 -34.575 1.00 0.00 H new ATOM 0 HG3 LYS D 50 105.637 1.169 -35.227 1.00 0.00 H new ATOM 0 HD2 LYS D 50 107.937 0.477 -34.604 1.00 0.00 H new ATOM 0 HD3 LYS D 50 107.324 -0.963 -33.815 1.00 0.00 H new ATOM 0 HE2 LYS D 50 106.370 -1.755 -35.998 1.00 0.00 H new ATOM 0 HE3 LYS D 50 106.980 -0.315 -36.789 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 108.508 -2.175 -37.057 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 109.241 -0.948 -36.139 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 108.650 -2.344 -35.373 1.00 0.00 H new ATOM 1858 N ARG D 51 104.298 3.785 -33.357 1.00 0.00 N ATOM 1859 CA ARG D 51 103.376 4.681 -34.046 1.00 0.00 C ATOM 1860 C ARG D 51 102.891 4.052 -35.355 1.00 0.00 C ATOM 1861 O ARG D 51 101.746 3.611 -35.452 1.00 0.00 O ATOM 1862 CB ARG D 51 104.074 6.029 -34.320 1.00 0.00 C ATOM 1863 CG ARG D 51 103.053 7.174 -34.320 1.00 0.00 C ATOM 1864 CD ARG D 51 102.037 6.961 -35.443 1.00 0.00 C ATOM 1865 NE ARG D 51 101.263 8.179 -35.657 1.00 0.00 N ATOM 1866 CZ ARG D 51 101.764 9.193 -36.310 1.00 0.00 C ATOM 1867 NH1 ARG D 51 102.977 9.126 -36.788 1.00 0.00 N ATOM 1868 NH2 ARG D 51 101.053 10.272 -36.485 1.00 0.00 N ATOM 0 H ARG D 51 103.994 3.497 -32.427 1.00 0.00 H new ATOM 0 HA ARG D 51 102.506 4.852 -33.412 1.00 0.00 H new ATOM 0 HB2 ARG D 51 104.834 6.212 -33.561 1.00 0.00 H new ATOM 0 HB3 ARG D 51 104.586 5.991 -35.281 1.00 0.00 H new ATOM 0 HG2 ARG D 51 102.542 7.218 -33.358 1.00 0.00 H new ATOM 0 HG3 ARG D 51 103.563 8.128 -34.454 1.00 0.00 H new ATOM 0 HD2 ARG D 51 102.552 6.682 -36.362 1.00 0.00 H new ATOM 0 HD3 ARG D 51 101.370 6.137 -35.189 1.00 0.00 H new ATOM 0 HE ARG D 51 100.313 8.240 -35.290 1.00 0.00 H new ATOM 0 HH11 ARG D 51 103.533 8.282 -36.651 1.00 0.00 H new ATOM 0 HH12 ARG D 51 103.369 9.918 -37.298 1.00 0.00 H new ATOM 0 HH21 ARG D 51 100.105 10.324 -36.112 1.00 0.00 H new ATOM 0 HH22 ARG D 51 101.445 11.064 -36.995 1.00 0.00 H new ATOM 1882 N GLY D 52 103.751 4.010 -36.336 1.00 0.00 N ATOM 1883 CA GLY D 52 103.393 3.429 -37.626 1.00 0.00 C ATOM 1884 C GLY D 52 102.417 4.328 -38.376 1.00 0.00 C ATOM 0 H GLY D 52 104.705 4.367 -36.279 1.00 0.00 H new ATOM 0 HA2 GLY D 52 104.292 3.282 -38.225 1.00 0.00 H new ATOM 0 HA3 GLY D 52 102.946 2.446 -37.475 1.00 0.00 H new TER 1888 GLY D 52 HETATM 1889 CA RIM A 1 91.140 3.768 -7.038 1.00 0.00 C HETATM 1890 CB RIM A 1 90.421 2.721 -6.174 1.00 0.00 C HETATM 1891 NC RIM A 1 91.376 1.617 -5.886 1.00 0.00 N HETATM 1892 CD RIM A 1 89.896 3.321 -4.835 1.00 0.00 C HETATM 1893 CE1 RIM A 1 89.638 2.174 -3.859 1.00 0.00 C HETATM 1894 CE2 RIM A 1 88.572 4.042 -5.078 1.00 0.00 C HETATM 1895 CE3 RIM A 1 90.921 4.274 -4.211 1.00 0.00 C HETATM 1896 CF1 RIM A 1 89.095 2.714 -2.533 1.00 0.00 C HETATM 1897 CF2 RIM A 1 88.026 4.622 -3.764 1.00 0.00 C HETATM 1898 CF3 RIM A 1 90.382 4.825 -2.890 1.00 0.00 C HETATM 1899 CG1 RIM A 1 87.785 3.468 -2.786 1.00 0.00 C HETATM 1900 CG2 RIM A 1 89.070 5.568 -3.153 1.00 0.00 C HETATM 1901 CG3 RIM A 1 90.121 3.670 -1.929 1.00 0.00 C HETATM 0 HNC2 RIM A 1 91.080 0.821 -5.321 1.00 0.00 H new HETATM 0 HNC1 RIM A 1 92.326 1.656 -6.254 1.00 0.00 H new HETATM 0 HG32 RIM A 1 89.757 4.054 -0.976 1.00 0.00 H new HETATM 0 HG31 RIM A 1 91.050 3.138 -1.725 1.00 0.00 H new HETATM 0 HG22 RIM A 1 89.249 6.405 -3.828 1.00 0.00 H new HETATM 0 HG21 RIM A 1 88.689 5.985 -2.221 1.00 0.00 H new HETATM 0 HG12 RIM A 1 87.036 2.787 -3.191 1.00 0.00 H new HETATM 0 HG11 RIM A 1 87.390 3.853 -1.846 1.00 0.00 H new HETATM 0 HE32 RIM A 1 91.861 3.750 -4.040 1.00 0.00 H new HETATM 0 HE31 RIM A 1 91.134 5.094 -4.897 1.00 0.00 H new HETATM 0 HE22 RIM A 1 88.715 4.842 -5.804 1.00 0.00 H new HETATM 0 HE21 RIM A 1 87.847 3.349 -5.506 1.00 0.00 H new HETATM 0 HE12 RIM A 1 88.925 1.472 -4.293 1.00 0.00 H new HETATM 0 HE11 RIM A 1 90.562 1.622 -3.684 1.00 0.00 H new HETATM 0 HF3 RIM A 1 91.111 5.507 -2.453 1.00 0.00 H new HETATM 0 HF2 RIM A 1 87.100 5.165 -3.955 1.00 0.00 H new HETATM 0 HF1 RIM A 1 88.910 1.888 -1.847 1.00 0.00 H new HETATM 0 HB RIM A 1 89.553 2.357 -6.724 1.00 0.00 H new HETATM 0 HA3 RIM A 1 92.005 4.154 -6.498 1.00 0.00 H new HETATM 0 HA2 RIM A 1 91.470 3.307 -7.969 1.00 0.00 H new HETATM 0 HA1 RIM A 1 90.456 4.587 -7.261 1.00 0.00 H new