USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=16 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: D 45 HIS :FLIP no HD1:sc= -8.59! C(o=-17!,f=-16!) USER MOD Set 1.2: D 48 GLN : amide:sc= -7.21! C(o=-16!,f=-24!) USER MOD Set 2.1: B 37 HIS : no HD1:sc= -0.238 K(o=-9.2,f=-9.8) USER MOD Set 2.2: C 37 HIS : no HD1:sc= -8.94! C(o=-9.2!,f=-12!) USER MOD Set 3.1: A 37 HIS : no HD1:sc= -8.9! C(o=-9.4!,f=-14!) USER MOD Set 3.2: D 37 HIS : no HD1:sc= -0.51 X(o=-9.4,f=-9.7) USER MOD Single : A 23 SER OG : rot -46:sc= 0.803 USER MOD Single : A 31 SER OG : rot -160:sc= -1.3 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.884 X(o=-0.88,f=-1.1) USER MOD Single : A 47 ASN : amide:sc= -0.0314 X(o=-0.031,f=-0.51) USER MOD Single : A 48 GLN : amide:sc= -2.46! C(o=-2.5!,f=-3.4!) USER MOD Single : A 50 LYS NZ :NH3+ 159:sc= -0.0263 (180deg=-0.34) USER MOD Single : B 23 SER OG : rot -32:sc= 0.0124 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -0.783 K(o=-0.78,f=-2.1) USER MOD Single : B 47 ASN : amide:sc= 0.731 K(o=0.73,f=-0.14) USER MOD Single : B 48 GLN : amide:sc= -4.83! C(o=-4.8!,f=-7.5!) USER MOD Single : B 50 LYS NZ :NH3+ 158:sc= -0.0691 (180deg=-0.683) USER MOD Single : C 23 SER OG : rot -50:sc= 0.697 USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 42 THR OG1 : rot 180:sc= 0 USER MOD Single : C 45 HIS : no HD1:sc= -0.92 K(o=-0.92,f=-2.1) USER MOD Single : C 47 ASN : amide:sc= -0.678 K(o=-0.68,f=-3.9!) USER MOD Single : C 48 GLN : amide:sc= -7.54! C(o=-7.5!,f=-11!) USER MOD Single : C 50 LYS NZ :NH3+ -117:sc= -7.16! (180deg=-10.9!) USER MOD Single : D 23 SER OG : rot 180:sc= 0 USER MOD Single : D 31 SER OG : rot 98:sc= 0.911 USER MOD Single : D 42 THR OG1 : rot -74:sc= 1.16 USER MOD Single : D 47 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.7) USER MOD Single : D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 23 77.110 3.269 6.266 1.00 0.00 N ATOM 2 CA SER A 23 78.362 2.478 6.090 1.00 0.00 C ATOM 3 C SER A 23 79.182 3.072 4.949 1.00 0.00 C ATOM 4 O SER A 23 80.049 2.405 4.384 1.00 0.00 O ATOM 5 CB SER A 23 78.003 1.026 5.772 1.00 0.00 C ATOM 6 OG SER A 23 79.191 0.245 5.741 1.00 0.00 O ATOM 0 HA SER A 23 78.950 2.511 7.007 1.00 0.00 H new ATOM 0 HB2 SER A 23 77.317 0.636 6.524 1.00 0.00 H new ATOM 0 HB3 SER A 23 77.490 0.968 4.812 1.00 0.00 H new ATOM 0 HG SER A 23 79.875 0.711 5.217 1.00 0.00 H new ATOM 11 N ASP A 24 78.917 4.313 4.627 1.00 0.00 N ATOM 12 CA ASP A 24 79.642 4.990 3.560 1.00 0.00 C ATOM 13 C ASP A 24 79.804 4.059 2.364 1.00 0.00 C ATOM 14 O ASP A 24 80.914 3.847 1.877 1.00 0.00 O ATOM 15 CB ASP A 24 81.021 5.416 4.067 1.00 0.00 C ATOM 16 CG ASP A 24 80.865 6.316 5.290 1.00 0.00 C ATOM 17 OD1 ASP A 24 80.773 5.783 6.383 1.00 0.00 O ATOM 18 OD2 ASP A 24 80.839 7.522 5.113 1.00 0.00 O ATOM 0 H ASP A 24 78.205 4.883 5.084 1.00 0.00 H new ATOM 0 HA ASP A 24 79.078 5.871 3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 24 81.612 4.537 4.324 1.00 0.00 H new ATOM 0 HB3 ASP A 24 81.561 5.945 3.281 1.00 0.00 H new ATOM 23 N PRO A 25 78.723 3.491 1.897 1.00 0.00 N ATOM 24 CA PRO A 25 78.752 2.548 0.745 1.00 0.00 C ATOM 25 C PRO A 25 79.525 3.131 -0.437 1.00 0.00 C ATOM 26 O PRO A 25 79.755 2.454 -1.433 1.00 0.00 O ATOM 27 CB PRO A 25 77.260 2.313 0.404 1.00 0.00 C ATOM 28 CG PRO A 25 76.492 3.338 1.193 1.00 0.00 C ATOM 29 CD PRO A 25 77.356 3.684 2.402 1.00 0.00 C ATOM 0 HA PRO A 25 79.267 1.617 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 25 77.081 2.428 -0.665 1.00 0.00 H new ATOM 0 HB3 PRO A 25 76.952 1.302 0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 25 76.294 4.224 0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 25 75.525 2.943 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 25 77.190 4.708 2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 25 77.143 3.033 3.250 1.00 0.00 H new ATOM 37 N LEU A 26 79.902 4.372 -0.326 1.00 0.00 N ATOM 38 CA LEU A 26 80.637 5.028 -1.407 1.00 0.00 C ATOM 39 C LEU A 26 82.016 4.395 -1.621 1.00 0.00 C ATOM 40 O LEU A 26 82.546 4.416 -2.731 1.00 0.00 O ATOM 41 CB LEU A 26 80.806 6.516 -1.098 1.00 0.00 C ATOM 42 CG LEU A 26 79.437 7.217 -1.105 1.00 0.00 C ATOM 43 CD1 LEU A 26 79.593 8.661 -0.592 1.00 0.00 C ATOM 44 CD2 LEU A 26 78.831 7.202 -2.528 1.00 0.00 C ATOM 0 H LEU A 26 79.722 4.959 0.489 1.00 0.00 H new ATOM 0 HA LEU A 26 80.058 4.901 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 26 81.282 6.641 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 26 81.463 6.976 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 26 78.756 6.681 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 26 78.622 9.156 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 26 79.986 8.646 0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 26 80.281 9.205 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 26 77.862 7.702 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 26 79.500 7.722 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 26 78.703 6.171 -2.858 1.00 0.00 H new ATOM 56 N VAL A 27 82.588 3.855 -0.578 1.00 0.00 N ATOM 57 CA VAL A 27 83.912 3.236 -0.678 1.00 0.00 C ATOM 58 C VAL A 27 83.892 2.022 -1.596 1.00 0.00 C ATOM 59 O VAL A 27 84.815 1.815 -2.384 1.00 0.00 O ATOM 60 CB VAL A 27 84.396 2.788 0.710 1.00 0.00 C ATOM 61 CG1 VAL A 27 85.793 2.165 0.598 1.00 0.00 C ATOM 62 CG2 VAL A 27 84.456 3.986 1.657 1.00 0.00 C ATOM 0 H VAL A 27 82.172 3.824 0.353 1.00 0.00 H new ATOM 0 HA VAL A 27 84.588 3.984 -1.092 1.00 0.00 H new ATOM 0 HB VAL A 27 83.696 2.051 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 27 86.131 1.849 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 27 85.754 1.301 -0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 27 86.488 2.901 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 27 84.800 3.658 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 27 85.147 4.729 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 27 83.463 4.427 1.750 1.00 0.00 H new ATOM 72 N VAL A 28 82.867 1.228 -1.483 1.00 0.00 N ATOM 73 CA VAL A 28 82.757 0.025 -2.301 1.00 0.00 C ATOM 74 C VAL A 28 82.436 0.342 -3.769 1.00 0.00 C ATOM 75 O VAL A 28 82.863 -0.389 -4.662 1.00 0.00 O ATOM 76 CB VAL A 28 81.704 -0.936 -1.696 1.00 0.00 C ATOM 77 CG1 VAL A 28 80.309 -0.672 -2.283 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.101 -2.392 -1.980 1.00 0.00 C ATOM 0 H VAL A 28 82.091 1.379 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 28 83.730 -0.466 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 28 81.670 -0.761 -0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 28 79.591 -1.362 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 28 80.010 0.353 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 28 80.335 -0.820 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 28 81.356 -3.062 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 28 82.156 -2.551 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 28 83.074 -2.598 -1.533 1.00 0.00 H new ATOM 88 N ALA A 29 81.668 1.376 -4.023 1.00 0.00 N ATOM 89 CA ALA A 29 81.284 1.697 -5.401 1.00 0.00 C ATOM 90 C ALA A 29 82.486 1.956 -6.310 1.00 0.00 C ATOM 91 O ALA A 29 82.597 1.337 -7.367 1.00 0.00 O ATOM 92 CB ALA A 29 80.374 2.926 -5.408 1.00 0.00 C ATOM 0 H ALA A 29 81.296 2.008 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 29 80.761 0.826 -5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 29 80.090 3.163 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 29 79.479 2.719 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 29 80.904 3.774 -4.974 1.00 0.00 H new ATOM 98 N ALA A 30 83.368 2.847 -5.934 1.00 0.00 N ATOM 99 CA ALA A 30 84.512 3.127 -6.775 1.00 0.00 C ATOM 100 C ALA A 30 85.300 1.848 -7.012 1.00 0.00 C ATOM 101 O ALA A 30 85.606 1.477 -8.146 1.00 0.00 O ATOM 102 CB ALA A 30 85.384 4.129 -6.058 1.00 0.00 C ATOM 0 H ALA A 30 83.322 3.384 -5.068 1.00 0.00 H new ATOM 0 HA ALA A 30 84.186 3.523 -7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 30 86.255 4.358 -6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 30 84.817 5.042 -5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 30 85.711 3.711 -5.106 1.00 0.00 H new ATOM 108 N SER A 31 85.596 1.195 -5.932 1.00 0.00 N ATOM 109 CA SER A 31 86.334 -0.057 -5.978 1.00 0.00 C ATOM 110 C SER A 31 85.678 -1.036 -6.961 1.00 0.00 C ATOM 111 O SER A 31 86.353 -1.621 -7.810 1.00 0.00 O ATOM 112 CB SER A 31 86.367 -0.667 -4.582 1.00 0.00 C ATOM 113 OG SER A 31 87.134 -1.863 -4.605 1.00 0.00 O ATOM 0 H SER A 31 85.341 1.501 -4.993 1.00 0.00 H new ATOM 0 HA SER A 31 87.350 0.140 -6.320 1.00 0.00 H new ATOM 0 HB2 SER A 31 86.799 0.041 -3.874 1.00 0.00 H new ATOM 0 HB3 SER A 31 85.353 -0.879 -4.242 1.00 0.00 H new ATOM 0 HG SER A 31 86.905 -2.413 -3.827 1.00 0.00 H new ATOM 119 N ILE A 32 84.390 -1.223 -6.824 1.00 0.00 N ATOM 120 CA ILE A 32 83.655 -2.153 -7.686 1.00 0.00 C ATOM 121 C ILE A 32 83.974 -1.913 -9.169 1.00 0.00 C ATOM 122 O ILE A 32 84.274 -2.859 -9.897 1.00 0.00 O ATOM 123 CB ILE A 32 82.137 -2.018 -7.416 1.00 0.00 C ATOM 124 CG1 ILE A 32 81.773 -2.820 -6.159 1.00 0.00 C ATOM 125 CG2 ILE A 32 81.318 -2.550 -8.600 1.00 0.00 C ATOM 126 CD1 ILE A 32 80.352 -2.472 -5.711 1.00 0.00 C ATOM 0 H ILE A 32 83.816 -0.749 -6.127 1.00 0.00 H new ATOM 0 HA ILE A 32 83.970 -3.170 -7.451 1.00 0.00 H new ATOM 0 HB ILE A 32 81.905 -0.962 -7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.847 -3.888 -6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 32 82.480 -2.599 -5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 32 80.255 -2.443 -8.384 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.565 -1.983 -9.497 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.552 -3.602 -8.760 1.00 0.00 H new ATOM 0 HD11 ILE A 32 80.101 -3.045 -4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 32 80.292 -1.407 -5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 32 79.649 -2.716 -6.508 1.00 0.00 H new ATOM 138 N ILE A 33 83.924 -0.684 -9.607 1.00 0.00 N ATOM 139 CA ILE A 33 84.229 -0.392 -11.007 1.00 0.00 C ATOM 140 C ILE A 33 85.667 -0.807 -11.307 1.00 0.00 C ATOM 141 O ILE A 33 85.961 -1.381 -12.354 1.00 0.00 O ATOM 142 CB ILE A 33 84.033 1.100 -11.302 1.00 0.00 C ATOM 143 CG1 ILE A 33 82.607 1.511 -10.912 1.00 0.00 C ATOM 144 CG2 ILE A 33 84.248 1.359 -12.797 1.00 0.00 C ATOM 145 CD1 ILE A 33 82.419 3.014 -11.139 1.00 0.00 C ATOM 0 H ILE A 33 83.681 0.127 -9.038 1.00 0.00 H new ATOM 0 HA ILE A 33 83.549 -0.955 -11.646 1.00 0.00 H new ATOM 0 HB ILE A 33 84.752 1.683 -10.727 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.883 0.951 -11.504 1.00 0.00 H new ATOM 0 HG13 ILE A 33 82.421 1.266 -9.866 1.00 0.00 H new ATOM 0 HG21 ILE A 33 84.109 2.420 -13.006 1.00 0.00 H new ATOM 0 HG22 ILE A 33 85.260 1.064 -13.076 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.529 0.778 -13.374 1.00 0.00 H new ATOM 0 HD11 ILE A 33 81.405 3.300 -10.860 1.00 0.00 H new ATOM 0 HD12 ILE A 33 83.133 3.566 -10.528 1.00 0.00 H new ATOM 0 HD13 ILE A 33 82.586 3.247 -12.191 1.00 0.00 H new ATOM 157 N GLY A 34 86.542 -0.490 -10.399 1.00 0.00 N ATOM 158 CA GLY A 34 87.954 -0.805 -10.571 1.00 0.00 C ATOM 159 C GLY A 34 88.154 -2.253 -11.019 1.00 0.00 C ATOM 160 O GLY A 34 88.878 -2.513 -11.979 1.00 0.00 O ATOM 0 H GLY A 34 86.316 -0.013 -9.526 1.00 0.00 H new ATOM 0 HA2 GLY A 34 88.391 -0.131 -11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 34 88.482 -0.637 -9.633 1.00 0.00 H new ATOM 164 N ILE A 35 87.529 -3.178 -10.349 1.00 0.00 N ATOM 165 CA ILE A 35 87.667 -4.585 -10.719 1.00 0.00 C ATOM 166 C ILE A 35 86.957 -4.871 -12.042 1.00 0.00 C ATOM 167 O ILE A 35 87.356 -5.759 -12.794 1.00 0.00 O ATOM 168 CB ILE A 35 87.087 -5.484 -9.628 1.00 0.00 C ATOM 169 CG1 ILE A 35 87.632 -5.052 -8.266 1.00 0.00 C ATOM 170 CG2 ILE A 35 87.495 -6.935 -9.894 1.00 0.00 C ATOM 171 CD1 ILE A 35 87.003 -5.913 -7.170 1.00 0.00 C ATOM 0 H ILE A 35 86.921 -3.001 -9.549 1.00 0.00 H new ATOM 0 HA ILE A 35 88.730 -4.797 -10.834 1.00 0.00 H new ATOM 0 HB ILE A 35 86.000 -5.400 -9.631 1.00 0.00 H new ATOM 0 HG12 ILE A 35 88.717 -5.155 -8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 35 87.409 -4.000 -8.090 1.00 0.00 H new ATOM 0 HG21 ILE A 35 87.082 -7.577 -9.116 1.00 0.00 H new ATOM 0 HG22 ILE A 35 87.112 -7.248 -10.865 1.00 0.00 H new ATOM 0 HG23 ILE A 35 88.582 -7.014 -9.890 1.00 0.00 H new ATOM 0 HD11 ILE A 35 87.391 -5.606 -6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 35 85.920 -5.787 -7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 35 87.249 -6.961 -7.344 1.00 0.00 H new ATOM 183 N LEU A 36 85.913 -4.134 -12.300 1.00 0.00 N ATOM 184 CA LEU A 36 85.134 -4.315 -13.523 1.00 0.00 C ATOM 185 C LEU A 36 85.995 -4.104 -14.770 1.00 0.00 C ATOM 186 O LEU A 36 85.782 -4.754 -15.794 1.00 0.00 O ATOM 187 CB LEU A 36 83.962 -3.321 -13.532 1.00 0.00 C ATOM 188 CG LEU A 36 82.943 -3.697 -14.623 1.00 0.00 C ATOM 189 CD1 LEU A 36 82.053 -4.863 -14.159 1.00 0.00 C ATOM 190 CD2 LEU A 36 82.061 -2.479 -14.931 1.00 0.00 C ATOM 0 H LEU A 36 85.570 -3.396 -11.686 1.00 0.00 H new ATOM 0 HA LEU A 36 84.759 -5.338 -13.541 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.474 -3.316 -12.557 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.335 -2.312 -13.707 1.00 0.00 H new ATOM 0 HG LEU A 36 83.485 -4.006 -15.517 1.00 0.00 H new ATOM 0 HD11 LEU A 36 81.340 -5.112 -14.945 1.00 0.00 H new ATOM 0 HD12 LEU A 36 82.675 -5.732 -13.944 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.512 -4.572 -13.258 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.337 -2.740 -15.703 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.533 -2.174 -14.027 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.685 -1.657 -15.281 1.00 0.00 H new ATOM 202 N HIS A 37 86.941 -3.205 -14.687 1.00 0.00 N ATOM 203 CA HIS A 37 87.814 -2.917 -15.828 1.00 0.00 C ATOM 204 C HIS A 37 88.827 -4.034 -16.100 1.00 0.00 C ATOM 205 O HIS A 37 89.257 -4.221 -17.237 1.00 0.00 O ATOM 206 CB HIS A 37 88.541 -1.577 -15.628 1.00 0.00 C ATOM 207 CG HIS A 37 89.690 -1.696 -14.650 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.623 -2.726 -14.691 1.00 0.00 N ATOM 209 CD2 HIS A 37 90.083 -0.886 -13.613 1.00 0.00 C ATOM 210 CE1 HIS A 37 91.515 -2.506 -13.708 1.00 0.00 C ATOM 211 NE2 HIS A 37 91.232 -1.399 -13.021 1.00 0.00 N ATOM 0 H HIS A 37 87.137 -2.654 -13.851 1.00 0.00 H new ATOM 0 HA HIS A 37 87.169 -2.852 -16.704 1.00 0.00 H new ATOM 0 HB2 HIS A 37 88.917 -1.222 -16.587 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.833 -0.831 -15.267 1.00 0.00 H new ATOM 0 HD2 HIS A 37 89.575 0.015 -13.303 1.00 0.00 H new ATOM 0 HE1 HIS A 37 92.358 -3.148 -13.501 1.00 0.00 H new ATOM 0 HE2 HIS A 37 91.748 -1.012 -12.231 1.00 0.00 H new ATOM 220 N PHE A 38 89.233 -4.730 -15.070 1.00 0.00 N ATOM 221 CA PHE A 38 90.240 -5.785 -15.220 1.00 0.00 C ATOM 222 C PHE A 38 89.886 -6.783 -16.326 1.00 0.00 C ATOM 223 O PHE A 38 90.715 -7.067 -17.192 1.00 0.00 O ATOM 224 CB PHE A 38 90.408 -6.536 -13.898 1.00 0.00 C ATOM 225 CG PHE A 38 91.445 -7.623 -14.067 1.00 0.00 C ATOM 226 CD1 PHE A 38 91.069 -8.868 -14.586 1.00 0.00 C ATOM 227 CD2 PHE A 38 92.782 -7.387 -13.712 1.00 0.00 C ATOM 228 CE1 PHE A 38 92.026 -9.876 -14.750 1.00 0.00 C ATOM 229 CE2 PHE A 38 93.736 -8.398 -13.876 1.00 0.00 C ATOM 230 CZ PHE A 38 93.358 -9.643 -14.396 1.00 0.00 C ATOM 0 H PHE A 38 88.893 -4.598 -14.117 1.00 0.00 H new ATOM 0 HA PHE A 38 91.173 -5.297 -15.502 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.713 -5.846 -13.111 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.457 -6.970 -13.590 1.00 0.00 H new ATOM 0 HD1 PHE A 38 90.040 -9.050 -14.860 1.00 0.00 H new ATOM 0 HD2 PHE A 38 93.074 -6.427 -13.313 1.00 0.00 H new ATOM 0 HE1 PHE A 38 91.735 -10.836 -15.151 1.00 0.00 H new ATOM 0 HE2 PHE A 38 94.765 -8.218 -13.601 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.095 -10.422 -14.523 1.00 0.00 H new ATOM 240 N ILE A 39 88.696 -7.317 -16.294 1.00 0.00 N ATOM 241 CA ILE A 39 88.292 -8.292 -17.306 1.00 0.00 C ATOM 242 C ILE A 39 88.377 -7.687 -18.702 1.00 0.00 C ATOM 243 O ILE A 39 88.668 -8.378 -19.674 1.00 0.00 O ATOM 244 CB ILE A 39 86.858 -8.784 -17.054 1.00 0.00 C ATOM 245 CG1 ILE A 39 86.680 -9.196 -15.564 1.00 0.00 C ATOM 246 CG2 ILE A 39 86.588 -9.986 -17.970 1.00 0.00 C ATOM 247 CD1 ILE A 39 86.033 -8.055 -14.760 1.00 0.00 C ATOM 0 H ILE A 39 87.986 -7.106 -15.592 1.00 0.00 H new ATOM 0 HA ILE A 39 88.976 -9.138 -17.238 1.00 0.00 H new ATOM 0 HB ILE A 39 86.151 -7.983 -17.271 1.00 0.00 H new ATOM 0 HG12 ILE A 39 86.060 -10.090 -15.500 1.00 0.00 H new ATOM 0 HG13 ILE A 39 87.649 -9.448 -15.133 1.00 0.00 H new ATOM 0 HG21 ILE A 39 85.574 -10.349 -17.805 1.00 0.00 H new ATOM 0 HG22 ILE A 39 86.700 -9.683 -19.011 1.00 0.00 H new ATOM 0 HG23 ILE A 39 87.299 -10.781 -17.746 1.00 0.00 H new ATOM 0 HD11 ILE A 39 85.917 -8.363 -13.721 1.00 0.00 H new ATOM 0 HD12 ILE A 39 86.668 -7.170 -14.808 1.00 0.00 H new ATOM 0 HD13 ILE A 39 85.055 -7.822 -15.181 1.00 0.00 H new ATOM 259 N ALA A 40 88.133 -6.415 -18.788 1.00 0.00 N ATOM 260 CA ALA A 40 88.203 -5.719 -20.063 1.00 0.00 C ATOM 261 C ALA A 40 89.652 -5.550 -20.507 1.00 0.00 C ATOM 262 O ALA A 40 89.938 -5.416 -21.692 1.00 0.00 O ATOM 263 CB ALA A 40 87.527 -4.351 -19.955 1.00 0.00 C ATOM 0 H ALA A 40 87.882 -5.825 -17.995 1.00 0.00 H new ATOM 0 HA ALA A 40 87.680 -6.317 -20.809 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.586 -3.839 -20.916 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.481 -4.483 -19.677 1.00 0.00 H new ATOM 0 HB3 ALA A 40 88.032 -3.755 -19.195 1.00 0.00 H new ATOM 269 N TRP A 41 90.538 -5.482 -19.558 1.00 0.00 N ATOM 270 CA TRP A 41 91.946 -5.256 -19.845 1.00 0.00 C ATOM 271 C TRP A 41 92.594 -6.408 -20.618 1.00 0.00 C ATOM 272 O TRP A 41 93.260 -6.187 -21.631 1.00 0.00 O ATOM 273 CB TRP A 41 92.673 -5.074 -18.514 1.00 0.00 C ATOM 274 CG TRP A 41 94.025 -4.496 -18.746 1.00 0.00 C ATOM 275 CD1 TRP A 41 95.028 -5.104 -19.417 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.540 -3.209 -18.308 1.00 0.00 C ATOM 277 NE1 TRP A 41 96.123 -4.258 -19.438 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.870 -3.079 -18.762 1.00 0.00 C ATOM 279 CE3 TRP A 41 93.984 -2.149 -17.572 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.623 -1.938 -18.495 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.741 -1.002 -17.297 1.00 0.00 C ATOM 282 CH2 TRP A 41 96.060 -0.896 -17.759 1.00 0.00 C ATOM 0 H TRP A 41 90.320 -5.579 -18.566 1.00 0.00 H new ATOM 0 HA TRP A 41 92.023 -4.372 -20.477 1.00 0.00 H new ATOM 0 HB2 TRP A 41 92.096 -4.419 -17.862 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.761 -6.034 -18.005 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.983 -6.087 -19.863 1.00 0.00 H new ATOM 0 HE1 TRP A 41 97.008 -4.477 -19.896 1.00 0.00 H new ATOM 0 HE3 TRP A 41 92.967 -2.219 -17.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.638 -1.861 -18.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 94.306 -0.195 -16.726 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.639 -0.010 -17.546 1.00 0.00 H new ATOM 293 N THR A 42 92.442 -7.599 -20.122 1.00 0.00 N ATOM 294 CA THR A 42 93.060 -8.771 -20.745 1.00 0.00 C ATOM 295 C THR A 42 92.741 -8.881 -22.240 1.00 0.00 C ATOM 296 O THR A 42 93.609 -9.267 -23.023 1.00 0.00 O ATOM 297 CB THR A 42 92.619 -10.055 -20.025 1.00 0.00 C ATOM 298 OG1 THR A 42 92.655 -11.144 -20.937 1.00 0.00 O ATOM 299 CG2 THR A 42 91.200 -9.884 -19.496 1.00 0.00 C ATOM 0 H THR A 42 91.896 -7.803 -19.285 1.00 0.00 H new ATOM 0 HA THR A 42 94.138 -8.645 -20.649 1.00 0.00 H new ATOM 0 HB THR A 42 93.294 -10.253 -19.192 1.00 0.00 H new ATOM 0 HG1 THR A 42 92.376 -11.964 -20.479 1.00 0.00 H new ATOM 0 HG21 THR A 42 90.890 -10.796 -18.986 1.00 0.00 H new ATOM 0 HG22 THR A 42 91.171 -9.049 -18.796 1.00 0.00 H new ATOM 0 HG23 THR A 42 90.523 -9.685 -20.327 1.00 0.00 H new ATOM 307 N ILE A 43 91.531 -8.574 -22.641 1.00 0.00 N ATOM 308 CA ILE A 43 91.192 -8.695 -24.062 1.00 0.00 C ATOM 309 C ILE A 43 92.020 -7.728 -24.913 1.00 0.00 C ATOM 310 O ILE A 43 92.512 -8.104 -25.974 1.00 0.00 O ATOM 311 CB ILE A 43 89.689 -8.475 -24.310 1.00 0.00 C ATOM 312 CG1 ILE A 43 89.204 -7.216 -23.592 1.00 0.00 C ATOM 313 CG2 ILE A 43 88.901 -9.684 -23.794 1.00 0.00 C ATOM 314 CD1 ILE A 43 87.827 -6.817 -24.130 1.00 0.00 C ATOM 0 H ILE A 43 90.777 -8.248 -22.036 1.00 0.00 H new ATOM 0 HA ILE A 43 91.435 -9.714 -24.362 1.00 0.00 H new ATOM 0 HB ILE A 43 89.528 -8.355 -25.381 1.00 0.00 H new ATOM 0 HG12 ILE A 43 89.148 -7.396 -22.518 1.00 0.00 H new ATOM 0 HG13 ILE A 43 89.914 -6.403 -23.742 1.00 0.00 H new ATOM 0 HG21 ILE A 43 87.837 -9.527 -23.970 1.00 0.00 H new ATOM 0 HG22 ILE A 43 89.227 -10.582 -24.319 1.00 0.00 H new ATOM 0 HG23 ILE A 43 89.078 -9.804 -22.725 1.00 0.00 H new ATOM 0 HD11 ILE A 43 87.482 -5.919 -23.617 1.00 0.00 H new ATOM 0 HD12 ILE A 43 87.898 -6.620 -25.200 1.00 0.00 H new ATOM 0 HD13 ILE A 43 87.120 -7.628 -23.957 1.00 0.00 H new ATOM 326 N GLY A 44 92.169 -6.511 -24.461 1.00 0.00 N ATOM 327 CA GLY A 44 92.939 -5.511 -25.205 1.00 0.00 C ATOM 328 C GLY A 44 94.423 -5.869 -25.258 1.00 0.00 C ATOM 329 O GLY A 44 95.128 -5.508 -26.202 1.00 0.00 O ATOM 0 H GLY A 44 91.773 -6.174 -23.583 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.547 -5.430 -26.219 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.816 -4.534 -24.737 1.00 0.00 H new ATOM 333 N HIS A 45 94.882 -6.553 -24.251 1.00 0.00 N ATOM 334 CA HIS A 45 96.282 -6.943 -24.173 1.00 0.00 C ATOM 335 C HIS A 45 96.746 -7.581 -25.479 1.00 0.00 C ATOM 336 O HIS A 45 97.936 -7.573 -25.792 1.00 0.00 O ATOM 337 CB HIS A 45 96.503 -7.911 -23.013 1.00 0.00 C ATOM 338 CG HIS A 45 97.983 -8.095 -22.813 1.00 0.00 C ATOM 339 ND1 HIS A 45 98.620 -9.305 -23.040 1.00 0.00 N ATOM 340 CD2 HIS A 45 98.969 -7.218 -22.431 1.00 0.00 C ATOM 341 CE1 HIS A 45 99.932 -9.124 -22.797 1.00 0.00 C ATOM 342 NE2 HIS A 45 100.199 -7.871 -22.422 1.00 0.00 N ATOM 0 H HIS A 45 94.313 -6.860 -23.462 1.00 0.00 H new ATOM 0 HA HIS A 45 96.871 -6.042 -24.001 1.00 0.00 H new ATOM 0 HB2 HIS A 45 96.044 -7.522 -22.104 1.00 0.00 H new ATOM 0 HB3 HIS A 45 96.028 -8.869 -23.225 1.00 0.00 H new ATOM 0 HD2 HIS A 45 98.814 -6.180 -22.176 1.00 0.00 H new ATOM 0 HE1 HIS A 45 100.678 -9.899 -22.894 1.00 0.00 H new ATOM 0 HE2 HIS A 45 101.108 -7.477 -22.181 1.00 0.00 H new ATOM 351 N LEU A 46 95.829 -8.165 -26.204 1.00 0.00 N ATOM 352 CA LEU A 46 96.175 -8.850 -27.449 1.00 0.00 C ATOM 353 C LEU A 46 97.144 -8.014 -28.286 1.00 0.00 C ATOM 354 O LEU A 46 97.945 -8.565 -29.040 1.00 0.00 O ATOM 355 CB LEU A 46 94.889 -9.153 -28.259 1.00 0.00 C ATOM 356 CG LEU A 46 94.435 -7.914 -29.086 1.00 0.00 C ATOM 357 CD1 LEU A 46 95.059 -7.939 -30.503 1.00 0.00 C ATOM 358 CD2 LEU A 46 92.902 -7.896 -29.218 1.00 0.00 C ATOM 0 H LEU A 46 94.837 -8.188 -25.967 1.00 0.00 H new ATOM 0 HA LEU A 46 96.670 -9.788 -27.199 1.00 0.00 H new ATOM 0 HB2 LEU A 46 95.068 -9.994 -28.929 1.00 0.00 H new ATOM 0 HB3 LEU A 46 94.091 -9.452 -27.579 1.00 0.00 H new ATOM 0 HG LEU A 46 94.772 -7.020 -28.561 1.00 0.00 H new ATOM 0 HD11 LEU A 46 94.728 -7.064 -31.062 1.00 0.00 H new ATOM 0 HD12 LEU A 46 96.146 -7.928 -30.422 1.00 0.00 H new ATOM 0 HD13 LEU A 46 94.743 -8.843 -31.024 1.00 0.00 H new ATOM 0 HD21 LEU A 46 92.597 -7.025 -29.798 1.00 0.00 H new ATOM 0 HD22 LEU A 46 92.570 -8.803 -29.723 1.00 0.00 H new ATOM 0 HD23 LEU A 46 92.452 -7.847 -28.226 1.00 0.00 H new ATOM 370 N ASN A 47 97.075 -6.718 -28.167 1.00 0.00 N ATOM 371 CA ASN A 47 97.969 -5.862 -28.940 1.00 0.00 C ATOM 372 C ASN A 47 99.432 -6.136 -28.569 1.00 0.00 C ATOM 373 O ASN A 47 100.265 -6.376 -29.443 1.00 0.00 O ATOM 374 CB ASN A 47 97.630 -4.394 -28.673 1.00 0.00 C ATOM 375 CG ASN A 47 96.165 -4.136 -29.015 1.00 0.00 C ATOM 376 OD1 ASN A 47 95.666 -4.642 -30.019 1.00 0.00 O ATOM 377 ND2 ASN A 47 95.442 -3.378 -28.235 1.00 0.00 N ATOM 0 H ASN A 47 96.424 -6.225 -27.556 1.00 0.00 H new ATOM 0 HA ASN A 47 97.835 -6.080 -30.000 1.00 0.00 H new ATOM 0 HB2 ASN A 47 97.818 -4.151 -27.627 1.00 0.00 H new ATOM 0 HB3 ASN A 47 98.273 -3.747 -29.271 1.00 0.00 H new ATOM 0 HD21 ASN A 47 94.462 -3.205 -28.458 1.00 0.00 H new ATOM 0 HD22 ASN A 47 95.857 -2.959 -27.403 1.00 0.00 H new ATOM 384 N GLN A 48 99.728 -6.091 -27.298 1.00 0.00 N ATOM 385 CA GLN A 48 101.094 -6.328 -26.834 1.00 0.00 C ATOM 386 C GLN A 48 101.655 -7.608 -27.448 1.00 0.00 C ATOM 387 O GLN A 48 102.745 -7.602 -28.022 1.00 0.00 O ATOM 388 CB GLN A 48 101.128 -6.427 -25.302 1.00 0.00 C ATOM 389 CG GLN A 48 102.554 -6.175 -24.791 1.00 0.00 C ATOM 390 CD GLN A 48 103.487 -7.283 -25.269 1.00 0.00 C ATOM 391 OE1 GLN A 48 103.156 -8.463 -25.161 1.00 0.00 O ATOM 392 NE2 GLN A 48 104.641 -6.972 -25.792 1.00 0.00 N ATOM 0 H GLN A 48 99.054 -5.894 -26.558 1.00 0.00 H new ATOM 0 HA GLN A 48 101.712 -5.487 -27.149 1.00 0.00 H new ATOM 0 HB2 GLN A 48 100.443 -5.699 -24.867 1.00 0.00 H new ATOM 0 HB3 GLN A 48 100.788 -7.413 -24.985 1.00 0.00 H new ATOM 0 HG2 GLN A 48 102.911 -5.209 -25.148 1.00 0.00 H new ATOM 0 HG3 GLN A 48 102.556 -6.132 -23.702 1.00 0.00 H new ATOM 0 HE21 GLN A 48 104.914 -5.993 -25.881 1.00 0.00 H new ATOM 0 HE22 GLN A 48 105.271 -7.708 -26.112 1.00 0.00 H new ATOM 401 N ILE A 49 100.927 -8.685 -27.323 1.00 0.00 N ATOM 402 CA ILE A 49 101.374 -9.963 -27.869 1.00 0.00 C ATOM 403 C ILE A 49 101.922 -9.786 -29.283 1.00 0.00 C ATOM 404 O ILE A 49 103.074 -10.122 -29.559 1.00 0.00 O ATOM 405 CB ILE A 49 100.208 -10.956 -27.898 1.00 0.00 C ATOM 406 CG1 ILE A 49 99.473 -10.940 -26.551 1.00 0.00 C ATOM 407 CG2 ILE A 49 100.741 -12.365 -28.170 1.00 0.00 C ATOM 408 CD1 ILE A 49 100.470 -11.116 -25.401 1.00 0.00 C ATOM 0 H ILE A 49 100.023 -8.716 -26.852 1.00 0.00 H new ATOM 0 HA ILE A 49 102.168 -10.348 -27.229 1.00 0.00 H new ATOM 0 HB ILE A 49 99.515 -10.668 -28.689 1.00 0.00 H new ATOM 0 HG12 ILE A 49 98.934 -10.000 -26.434 1.00 0.00 H new ATOM 0 HG13 ILE A 49 98.731 -11.738 -26.524 1.00 0.00 H new ATOM 0 HG21 ILE A 49 99.910 -13.071 -28.190 1.00 0.00 H new ATOM 0 HG22 ILE A 49 101.254 -12.381 -29.132 1.00 0.00 H new ATOM 0 HG23 ILE A 49 101.439 -12.649 -27.382 1.00 0.00 H new ATOM 0 HD11 ILE A 49 99.936 -11.103 -24.451 1.00 0.00 H new ATOM 0 HD12 ILE A 49 100.989 -12.068 -25.512 1.00 0.00 H new ATOM 0 HD13 ILE A 49 101.195 -10.303 -25.421 1.00 0.00 H new ATOM 420 N LYS A 50 101.102 -9.273 -30.161 1.00 0.00 N ATOM 421 CA LYS A 50 101.515 -9.062 -31.547 1.00 0.00 C ATOM 422 C LYS A 50 102.388 -7.811 -31.661 1.00 0.00 C ATOM 423 O LYS A 50 103.599 -7.905 -31.853 1.00 0.00 O ATOM 424 CB LYS A 50 100.269 -8.936 -32.448 1.00 0.00 C ATOM 425 CG LYS A 50 100.574 -9.457 -33.859 1.00 0.00 C ATOM 426 CD LYS A 50 101.674 -8.608 -34.499 1.00 0.00 C ATOM 427 CE LYS A 50 101.760 -8.927 -35.992 1.00 0.00 C ATOM 428 NZ LYS A 50 100.586 -8.336 -36.695 1.00 0.00 N ATOM 0 H LYS A 50 100.144 -8.990 -29.955 1.00 0.00 H new ATOM 0 HA LYS A 50 102.104 -9.918 -31.876 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.442 -9.499 -32.016 1.00 0.00 H new ATOM 0 HB3 LYS A 50 99.953 -7.894 -32.499 1.00 0.00 H new ATOM 0 HG2 LYS A 50 100.888 -10.500 -33.811 1.00 0.00 H new ATOM 0 HG3 LYS A 50 99.673 -9.423 -34.472 1.00 0.00 H new ATOM 0 HD2 LYS A 50 101.461 -7.549 -34.354 1.00 0.00 H new ATOM 0 HD3 LYS A 50 102.631 -8.810 -34.017 1.00 0.00 H new ATOM 0 HE2 LYS A 50 102.685 -8.527 -36.407 1.00 0.00 H new ATOM 0 HE3 LYS A 50 101.783 -10.006 -36.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 100.803 -8.233 -37.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 99.762 -8.960 -36.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 100.373 -7.402 -36.290 1.00 0.00 H new ATOM 442 N ARG A 51 101.777 -6.662 -31.547 1.00 0.00 N ATOM 443 CA ARG A 51 102.514 -5.407 -31.641 1.00 0.00 C ATOM 444 C ARG A 51 103.412 -5.221 -30.422 1.00 0.00 C ATOM 445 O ARG A 51 102.964 -5.352 -29.282 1.00 0.00 O ATOM 446 CB ARG A 51 101.536 -4.234 -31.748 1.00 0.00 C ATOM 447 CG ARG A 51 102.290 -2.969 -32.164 1.00 0.00 C ATOM 448 CD ARG A 51 101.288 -1.846 -32.435 1.00 0.00 C ATOM 449 NE ARG A 51 101.973 -0.671 -32.962 1.00 0.00 N ATOM 450 CZ ARG A 51 101.305 0.380 -33.352 1.00 0.00 C ATOM 451 NH1 ARG A 51 100.003 0.391 -33.274 1.00 0.00 N ATOM 452 NH2 ARG A 51 101.939 1.420 -33.820 1.00 0.00 N ATOM 0 H ARG A 51 100.775 -6.557 -31.389 1.00 0.00 H new ATOM 0 HA ARG A 51 103.139 -5.438 -32.534 1.00 0.00 H new ATOM 0 HB2 ARG A 51 100.759 -4.462 -32.477 1.00 0.00 H new ATOM 0 HB3 ARG A 51 101.039 -4.074 -30.791 1.00 0.00 H new ATOM 0 HG2 ARG A 51 102.983 -2.671 -31.378 1.00 0.00 H new ATOM 0 HG3 ARG A 51 102.885 -3.164 -33.056 1.00 0.00 H new ATOM 0 HD2 ARG A 51 100.535 -2.185 -33.146 1.00 0.00 H new ATOM 0 HD3 ARG A 51 100.764 -1.587 -31.515 1.00 0.00 H new ATOM 0 HE ARG A 51 102.991 -0.671 -33.027 1.00 0.00 H new ATOM 0 HH11 ARG A 51 99.507 -0.422 -32.908 1.00 0.00 H new ATOM 0 HH12 ARG A 51 99.481 1.212 -33.579 1.00 0.00 H new ATOM 0 HH21 ARG A 51 102.957 1.412 -33.881 1.00 0.00 H new ATOM 0 HH22 ARG A 51 101.416 2.241 -34.125 1.00 0.00 H new ATOM 466 N GLY A 52 104.660 -4.926 -30.665 1.00 0.00 N ATOM 467 CA GLY A 52 105.614 -4.729 -29.580 1.00 0.00 C ATOM 468 C GLY A 52 105.077 -3.736 -28.555 1.00 0.00 C ATOM 0 H GLY A 52 105.051 -4.814 -31.600 1.00 0.00 H new ATOM 0 HA2 GLY A 52 105.820 -5.683 -29.094 1.00 0.00 H new ATOM 0 HA3 GLY A 52 106.559 -4.366 -29.983 1.00 0.00 H new TER 472 GLY A 52 ATOM 473 N SER B 23 88.372 17.050 4.090 1.00 0.00 N ATOM 474 CA SER B 23 87.062 17.753 4.180 1.00 0.00 C ATOM 475 C SER B 23 86.282 17.541 2.886 1.00 0.00 C ATOM 476 O SER B 23 85.053 17.609 2.873 1.00 0.00 O ATOM 477 CB SER B 23 87.304 19.248 4.406 1.00 0.00 C ATOM 478 OG SER B 23 87.865 19.817 3.230 1.00 0.00 O ATOM 0 HA SER B 23 86.485 17.353 5.014 1.00 0.00 H new ATOM 0 HB2 SER B 23 86.367 19.746 4.653 1.00 0.00 H new ATOM 0 HB3 SER B 23 87.976 19.395 5.251 1.00 0.00 H new ATOM 0 HG SER B 23 88.426 19.151 2.780 1.00 0.00 H new ATOM 483 N ASP B 24 86.992 17.297 1.815 1.00 0.00 N ATOM 484 CA ASP B 24 86.368 17.086 0.512 1.00 0.00 C ATOM 485 C ASP B 24 86.075 15.597 0.298 1.00 0.00 C ATOM 486 O ASP B 24 87.011 14.806 0.231 1.00 0.00 O ATOM 487 CB ASP B 24 87.321 17.564 -0.585 1.00 0.00 C ATOM 488 CG ASP B 24 87.582 19.059 -0.436 1.00 0.00 C ATOM 489 OD1 ASP B 24 86.675 19.829 -0.706 1.00 0.00 O ATOM 490 OD2 ASP B 24 88.687 19.412 -0.057 1.00 0.00 O ATOM 0 H ASP B 24 88.010 17.237 1.809 1.00 0.00 H new ATOM 0 HA ASP B 24 85.433 17.646 0.473 1.00 0.00 H new ATOM 0 HB2 ASP B 24 88.261 17.015 -0.526 1.00 0.00 H new ATOM 0 HB3 ASP B 24 86.892 17.358 -1.566 1.00 0.00 H new ATOM 495 N PRO B 25 84.822 15.189 0.193 1.00 0.00 N ATOM 496 CA PRO B 25 84.459 13.751 -0.022 1.00 0.00 C ATOM 497 C PRO B 25 85.355 13.046 -1.045 1.00 0.00 C ATOM 498 O PRO B 25 84.956 12.827 -2.187 1.00 0.00 O ATOM 499 CB PRO B 25 83.012 13.830 -0.511 1.00 0.00 C ATOM 500 CG PRO B 25 82.452 15.031 0.173 1.00 0.00 C ATOM 501 CD PRO B 25 83.606 16.034 0.271 1.00 0.00 C ATOM 0 HA PRO B 25 84.587 13.159 0.884 1.00 0.00 H new ATOM 0 HB2 PRO B 25 82.964 13.932 -1.595 1.00 0.00 H new ATOM 0 HB3 PRO B 25 82.455 12.930 -0.251 1.00 0.00 H new ATOM 0 HG2 PRO B 25 81.618 15.449 -0.391 1.00 0.00 H new ATOM 0 HG3 PRO B 25 82.071 14.775 1.162 1.00 0.00 H new ATOM 0 HD2 PRO B 25 83.573 16.762 -0.540 1.00 0.00 H new ATOM 0 HD3 PRO B 25 83.569 16.595 1.205 1.00 0.00 H new ATOM 509 N LEU B 26 86.535 12.682 -0.625 1.00 0.00 N ATOM 510 CA LEU B 26 87.475 11.980 -1.497 1.00 0.00 C ATOM 511 C LEU B 26 86.873 10.651 -1.942 1.00 0.00 C ATOM 512 O LEU B 26 87.013 10.246 -3.095 1.00 0.00 O ATOM 513 CB LEU B 26 88.779 11.713 -0.723 1.00 0.00 C ATOM 514 CG LEU B 26 89.634 12.999 -0.614 1.00 0.00 C ATOM 515 CD1 LEU B 26 90.436 12.980 0.692 1.00 0.00 C ATOM 516 CD2 LEU B 26 90.602 13.088 -1.802 1.00 0.00 C ATOM 0 H LEU B 26 86.883 12.855 0.318 1.00 0.00 H new ATOM 0 HA LEU B 26 87.682 12.593 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU B 26 88.544 11.343 0.275 1.00 0.00 H new ATOM 0 HB3 LEU B 26 89.351 10.933 -1.226 1.00 0.00 H new ATOM 0 HG LEU B 26 88.971 13.864 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU B 26 91.036 13.887 0.764 1.00 0.00 H new ATOM 0 HD12 LEU B 26 89.751 12.930 1.539 1.00 0.00 H new ATOM 0 HD13 LEU B 26 91.092 12.109 0.704 1.00 0.00 H new ATOM 0 HD21 LEU B 26 91.200 13.996 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU B 26 91.260 12.219 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU B 26 90.035 13.113 -2.732 1.00 0.00 H new ATOM 528 N VAL B 27 86.234 9.985 -1.024 1.00 0.00 N ATOM 529 CA VAL B 27 85.629 8.690 -1.303 1.00 0.00 C ATOM 530 C VAL B 27 84.657 8.761 -2.471 1.00 0.00 C ATOM 531 O VAL B 27 84.713 7.931 -3.378 1.00 0.00 O ATOM 532 CB VAL B 27 84.873 8.201 -0.069 1.00 0.00 C ATOM 533 CG1 VAL B 27 84.347 6.789 -0.314 1.00 0.00 C ATOM 534 CG2 VAL B 27 85.813 8.186 1.133 1.00 0.00 C ATOM 0 H VAL B 27 86.111 10.310 -0.065 1.00 0.00 H new ATOM 0 HA VAL B 27 86.433 8.001 -1.562 1.00 0.00 H new ATOM 0 HB VAL B 27 84.037 8.872 0.128 1.00 0.00 H new ATOM 0 HG11 VAL B 27 83.808 6.443 0.568 1.00 0.00 H new ATOM 0 HG12 VAL B 27 83.674 6.795 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL B 27 85.183 6.119 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL B 27 85.273 7.837 2.013 1.00 0.00 H new ATOM 0 HG22 VAL B 27 86.650 7.517 0.932 1.00 0.00 H new ATOM 0 HG23 VAL B 27 86.189 9.193 1.314 1.00 0.00 H new ATOM 544 N VAL B 28 83.776 9.720 -2.453 1.00 0.00 N ATOM 545 CA VAL B 28 82.795 9.868 -3.518 1.00 0.00 C ATOM 546 C VAL B 28 83.450 10.366 -4.810 1.00 0.00 C ATOM 547 O VAL B 28 82.931 10.152 -5.903 1.00 0.00 O ATOM 548 CB VAL B 28 81.663 10.823 -3.047 1.00 0.00 C ATOM 549 CG1 VAL B 28 81.923 12.268 -3.500 1.00 0.00 C ATOM 550 CG2 VAL B 28 80.308 10.353 -3.605 1.00 0.00 C ATOM 0 H VAL B 28 83.708 10.420 -1.714 1.00 0.00 H new ATOM 0 HA VAL B 28 82.361 8.893 -3.741 1.00 0.00 H new ATOM 0 HB VAL B 28 81.644 10.800 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL B 28 81.112 12.909 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL B 28 82.866 12.617 -3.080 1.00 0.00 H new ATOM 0 HG13 VAL B 28 81.975 12.304 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL B 28 79.522 11.029 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL B 28 80.344 10.351 -4.694 1.00 0.00 H new ATOM 0 HG23 VAL B 28 80.097 9.345 -3.247 1.00 0.00 H new ATOM 560 N ALA B 29 84.559 11.035 -4.670 1.00 0.00 N ATOM 561 CA ALA B 29 85.264 11.588 -5.822 1.00 0.00 C ATOM 562 C ALA B 29 85.740 10.507 -6.795 1.00 0.00 C ATOM 563 O ALA B 29 85.753 10.737 -8.004 1.00 0.00 O ATOM 564 CB ALA B 29 86.461 12.417 -5.353 1.00 0.00 C ATOM 0 H ALA B 29 85.006 11.218 -3.772 1.00 0.00 H new ATOM 0 HA ALA B 29 84.555 12.219 -6.357 1.00 0.00 H new ATOM 0 HB1 ALA B 29 86.982 12.826 -6.219 1.00 0.00 H new ATOM 0 HB2 ALA B 29 86.113 13.233 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA B 29 87.143 11.783 -4.786 1.00 0.00 H new ATOM 570 N ALA B 30 86.128 9.356 -6.304 1.00 0.00 N ATOM 571 CA ALA B 30 86.587 8.324 -7.226 1.00 0.00 C ATOM 572 C ALA B 30 85.424 7.738 -8.031 1.00 0.00 C ATOM 573 O ALA B 30 85.457 7.717 -9.263 1.00 0.00 O ATOM 574 CB ALA B 30 87.254 7.212 -6.453 1.00 0.00 C ATOM 0 H ALA B 30 86.140 9.107 -5.315 1.00 0.00 H new ATOM 0 HA ALA B 30 87.294 8.784 -7.917 1.00 0.00 H new ATOM 0 HB1 ALA B 30 87.596 6.442 -7.145 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.107 7.611 -5.904 1.00 0.00 H new ATOM 0 HB3 ALA B 30 86.541 6.778 -5.751 1.00 0.00 H new ATOM 580 N SER B 31 84.424 7.258 -7.338 1.00 0.00 N ATOM 581 CA SER B 31 83.258 6.656 -7.993 1.00 0.00 C ATOM 582 C SER B 31 82.644 7.602 -9.024 1.00 0.00 C ATOM 583 O SER B 31 82.053 7.164 -10.012 1.00 0.00 O ATOM 584 CB SER B 31 82.202 6.299 -6.951 1.00 0.00 C ATOM 585 OG SER B 31 81.071 5.737 -7.604 1.00 0.00 O ATOM 0 H SER B 31 84.380 7.265 -6.319 1.00 0.00 H new ATOM 0 HA SER B 31 83.596 5.756 -8.507 1.00 0.00 H new ATOM 0 HB2 SER B 31 82.610 5.590 -6.230 1.00 0.00 H new ATOM 0 HB3 SER B 31 81.910 7.188 -6.393 1.00 0.00 H new ATOM 0 HG SER B 31 80.391 5.505 -6.938 1.00 0.00 H new ATOM 591 N ILE B 32 82.791 8.872 -8.789 1.00 0.00 N ATOM 592 CA ILE B 32 82.251 9.872 -9.703 1.00 0.00 C ATOM 593 C ILE B 32 83.003 9.822 -11.032 1.00 0.00 C ATOM 594 O ILE B 32 82.399 9.872 -12.100 1.00 0.00 O ATOM 595 CB ILE B 32 82.331 11.275 -9.066 1.00 0.00 C ATOM 596 CG1 ILE B 32 81.185 11.436 -8.056 1.00 0.00 C ATOM 597 CG2 ILE B 32 82.206 12.362 -10.143 1.00 0.00 C ATOM 598 CD1 ILE B 32 81.366 12.734 -7.264 1.00 0.00 C ATOM 0 H ILE B 32 83.277 9.254 -7.978 1.00 0.00 H new ATOM 0 HA ILE B 32 81.201 9.653 -9.898 1.00 0.00 H new ATOM 0 HB ILE B 32 83.294 11.381 -8.566 1.00 0.00 H new ATOM 0 HG12 ILE B 32 80.228 11.449 -8.578 1.00 0.00 H new ATOM 0 HG13 ILE B 32 81.166 10.584 -7.376 1.00 0.00 H new ATOM 0 HG21 ILE B 32 82.264 13.345 -9.676 1.00 0.00 H new ATOM 0 HG22 ILE B 32 83.016 12.254 -10.865 1.00 0.00 H new ATOM 0 HG23 ILE B 32 81.249 12.259 -10.654 1.00 0.00 H new ATOM 0 HD11 ILE B 32 80.550 12.841 -6.550 1.00 0.00 H new ATOM 0 HD12 ILE B 32 82.315 12.704 -6.729 1.00 0.00 H new ATOM 0 HD13 ILE B 32 81.362 13.582 -7.949 1.00 0.00 H new ATOM 610 N ILE B 33 84.296 9.743 -10.959 1.00 0.00 N ATOM 611 CA ILE B 33 85.108 9.699 -12.164 1.00 0.00 C ATOM 612 C ILE B 33 84.923 8.374 -12.911 1.00 0.00 C ATOM 613 O ILE B 33 84.917 8.350 -14.139 1.00 0.00 O ATOM 614 CB ILE B 33 86.579 9.906 -11.802 1.00 0.00 C ATOM 615 CG1 ILE B 33 86.731 11.254 -11.094 1.00 0.00 C ATOM 616 CG2 ILE B 33 87.434 9.904 -13.072 1.00 0.00 C ATOM 617 CD1 ILE B 33 88.152 11.390 -10.547 1.00 0.00 C ATOM 0 H ILE B 33 84.823 9.707 -10.086 1.00 0.00 H new ATOM 0 HA ILE B 33 84.784 10.501 -12.827 1.00 0.00 H new ATOM 0 HB ILE B 33 86.909 9.099 -11.148 1.00 0.00 H new ATOM 0 HG12 ILE B 33 86.519 12.067 -11.789 1.00 0.00 H new ATOM 0 HG13 ILE B 33 86.009 11.333 -10.281 1.00 0.00 H new ATOM 0 HG21 ILE B 33 88.481 10.052 -12.806 1.00 0.00 H new ATOM 0 HG22 ILE B 33 87.321 8.949 -13.585 1.00 0.00 H new ATOM 0 HG23 ILE B 33 87.109 10.710 -13.730 1.00 0.00 H new ATOM 0 HD11 ILE B 33 88.258 12.351 -10.043 1.00 0.00 H new ATOM 0 HD12 ILE B 33 88.348 10.585 -9.838 1.00 0.00 H new ATOM 0 HD13 ILE B 33 88.865 11.331 -11.369 1.00 0.00 H new ATOM 629 N GLY B 34 84.831 7.287 -12.190 1.00 0.00 N ATOM 630 CA GLY B 34 84.716 5.970 -12.817 1.00 0.00 C ATOM 631 C GLY B 34 83.685 5.922 -13.944 1.00 0.00 C ATOM 632 O GLY B 34 83.958 5.348 -14.997 1.00 0.00 O ATOM 0 H GLY B 34 84.832 7.274 -11.170 1.00 0.00 H new ATOM 0 HA2 GLY B 34 85.689 5.678 -13.212 1.00 0.00 H new ATOM 0 HA3 GLY B 34 84.447 5.236 -12.057 1.00 0.00 H new ATOM 636 N ILE B 35 82.528 6.496 -13.759 1.00 0.00 N ATOM 637 CA ILE B 35 81.538 6.455 -14.834 1.00 0.00 C ATOM 638 C ILE B 35 82.166 6.990 -16.123 1.00 0.00 C ATOM 639 O ILE B 35 81.932 6.454 -17.207 1.00 0.00 O ATOM 640 CB ILE B 35 80.283 7.263 -14.462 1.00 0.00 C ATOM 641 CG1 ILE B 35 80.690 8.503 -13.657 1.00 0.00 C ATOM 642 CG2 ILE B 35 79.340 6.394 -13.616 1.00 0.00 C ATOM 643 CD1 ILE B 35 79.554 9.530 -13.683 1.00 0.00 C ATOM 0 H ILE B 35 82.240 6.985 -12.911 1.00 0.00 H new ATOM 0 HA ILE B 35 81.227 5.422 -14.988 1.00 0.00 H new ATOM 0 HB ILE B 35 79.772 7.572 -15.374 1.00 0.00 H new ATOM 0 HG12 ILE B 35 80.916 8.223 -12.628 1.00 0.00 H new ATOM 0 HG13 ILE B 35 81.597 8.939 -14.076 1.00 0.00 H new ATOM 0 HG21 ILE B 35 78.452 6.969 -13.354 1.00 0.00 H new ATOM 0 HG22 ILE B 35 79.046 5.513 -14.187 1.00 0.00 H new ATOM 0 HG23 ILE B 35 79.852 6.082 -12.706 1.00 0.00 H new ATOM 0 HD11 ILE B 35 79.846 10.410 -13.110 1.00 0.00 H new ATOM 0 HD12 ILE B 35 79.349 9.820 -14.714 1.00 0.00 H new ATOM 0 HD13 ILE B 35 78.658 9.092 -13.244 1.00 0.00 H new ATOM 655 N LEU B 36 82.976 8.008 -15.993 1.00 0.00 N ATOM 656 CA LEU B 36 83.663 8.583 -17.148 1.00 0.00 C ATOM 657 C LEU B 36 84.674 7.573 -17.691 1.00 0.00 C ATOM 658 O LEU B 36 84.882 7.462 -18.900 1.00 0.00 O ATOM 659 CB LEU B 36 84.396 9.868 -16.730 1.00 0.00 C ATOM 660 CG LEU B 36 84.959 10.603 -17.966 1.00 0.00 C ATOM 661 CD1 LEU B 36 83.869 11.475 -18.604 1.00 0.00 C ATOM 662 CD2 LEU B 36 86.134 11.499 -17.539 1.00 0.00 C ATOM 0 H LEU B 36 83.184 8.464 -15.105 1.00 0.00 H new ATOM 0 HA LEU B 36 82.932 8.822 -17.921 1.00 0.00 H new ATOM 0 HB2 LEU B 36 83.712 10.524 -16.191 1.00 0.00 H new ATOM 0 HB3 LEU B 36 85.208 9.623 -16.045 1.00 0.00 H new ATOM 0 HG LEU B 36 85.299 9.864 -18.691 1.00 0.00 H new ATOM 0 HD11 LEU B 36 84.277 11.989 -19.475 1.00 0.00 H new ATOM 0 HD12 LEU B 36 83.034 10.846 -18.912 1.00 0.00 H new ATOM 0 HD13 LEU B 36 83.521 12.211 -17.879 1.00 0.00 H new ATOM 0 HD21 LEU B 36 86.532 12.018 -18.411 1.00 0.00 H new ATOM 0 HD22 LEU B 36 85.787 12.230 -16.809 1.00 0.00 H new ATOM 0 HD23 LEU B 36 86.917 10.885 -17.094 1.00 0.00 H new ATOM 674 N HIS B 37 85.289 6.864 -16.785 1.00 0.00 N ATOM 675 CA HIS B 37 86.296 5.863 -17.125 1.00 0.00 C ATOM 676 C HIS B 37 85.697 4.714 -17.937 1.00 0.00 C ATOM 677 O HIS B 37 86.313 4.228 -18.887 1.00 0.00 O ATOM 678 CB HIS B 37 86.899 5.310 -15.828 1.00 0.00 C ATOM 679 CG HIS B 37 88.113 4.476 -16.130 1.00 0.00 C ATOM 680 ND1 HIS B 37 88.022 3.138 -16.481 1.00 0.00 N ATOM 681 CD2 HIS B 37 89.453 4.769 -16.109 1.00 0.00 C ATOM 682 CE1 HIS B 37 89.276 2.679 -16.653 1.00 0.00 C ATOM 683 NE2 HIS B 37 90.186 3.632 -16.438 1.00 0.00 N ATOM 0 H HIS B 37 85.115 6.955 -15.784 1.00 0.00 H new ATOM 0 HA HIS B 37 87.063 6.339 -17.736 1.00 0.00 H new ATOM 0 HB2 HIS B 37 87.170 6.132 -15.166 1.00 0.00 H new ATOM 0 HB3 HIS B 37 86.158 4.708 -15.302 1.00 0.00 H new ATOM 0 HD2 HIS B 37 89.875 5.735 -15.873 1.00 0.00 H new ATOM 0 HE1 HIS B 37 89.517 1.663 -16.931 1.00 0.00 H new ATOM 0 HE2 HIS B 37 91.200 3.546 -16.501 1.00 0.00 H new ATOM 692 N PHE B 38 84.533 4.270 -17.548 1.00 0.00 N ATOM 693 CA PHE B 38 83.883 3.150 -18.226 1.00 0.00 C ATOM 694 C PHE B 38 83.391 3.501 -19.634 1.00 0.00 C ATOM 695 O PHE B 38 83.553 2.709 -20.560 1.00 0.00 O ATOM 696 CB PHE B 38 82.700 2.651 -17.394 1.00 0.00 C ATOM 697 CG PHE B 38 82.211 1.344 -17.969 1.00 0.00 C ATOM 698 CD1 PHE B 38 81.239 1.342 -18.975 1.00 0.00 C ATOM 699 CD2 PHE B 38 82.741 0.135 -17.503 1.00 0.00 C ATOM 700 CE1 PHE B 38 80.793 0.130 -19.515 1.00 0.00 C ATOM 701 CE2 PHE B 38 82.295 -1.077 -18.043 1.00 0.00 C ATOM 702 CZ PHE B 38 81.322 -1.080 -19.049 1.00 0.00 C ATOM 0 H PHE B 38 84.004 4.658 -16.766 1.00 0.00 H new ATOM 0 HA PHE B 38 84.639 2.371 -18.329 1.00 0.00 H new ATOM 0 HB2 PHE B 38 83.001 2.516 -16.355 1.00 0.00 H new ATOM 0 HB3 PHE B 38 81.898 3.389 -17.400 1.00 0.00 H new ATOM 0 HD1 PHE B 38 80.833 2.276 -19.335 1.00 0.00 H new ATOM 0 HD2 PHE B 38 83.493 0.137 -16.728 1.00 0.00 H new ATOM 0 HE1 PHE B 38 80.041 0.128 -20.291 1.00 0.00 H new ATOM 0 HE2 PHE B 38 82.702 -2.010 -17.683 1.00 0.00 H new ATOM 0 HZ PHE B 38 80.979 -2.015 -19.466 1.00 0.00 H new ATOM 712 N ILE B 39 82.767 4.636 -19.797 1.00 0.00 N ATOM 713 CA ILE B 39 82.239 5.008 -21.111 1.00 0.00 C ATOM 714 C ILE B 39 83.346 5.343 -22.111 1.00 0.00 C ATOM 715 O ILE B 39 83.225 5.034 -23.294 1.00 0.00 O ATOM 716 CB ILE B 39 81.276 6.188 -20.986 1.00 0.00 C ATOM 717 CG1 ILE B 39 82.014 7.407 -20.436 1.00 0.00 C ATOM 718 CG2 ILE B 39 80.134 5.817 -20.038 1.00 0.00 C ATOM 719 CD1 ILE B 39 81.030 8.569 -20.302 1.00 0.00 C ATOM 0 H ILE B 39 82.606 5.320 -19.058 1.00 0.00 H new ATOM 0 HA ILE B 39 81.703 4.139 -21.494 1.00 0.00 H new ATOM 0 HB ILE B 39 80.874 6.426 -21.971 1.00 0.00 H new ATOM 0 HG12 ILE B 39 82.455 7.174 -19.467 1.00 0.00 H new ATOM 0 HG13 ILE B 39 82.833 7.682 -21.101 1.00 0.00 H new ATOM 0 HG21 ILE B 39 79.447 6.659 -19.949 1.00 0.00 H new ATOM 0 HG22 ILE B 39 79.600 4.953 -20.433 1.00 0.00 H new ATOM 0 HG23 ILE B 39 80.540 5.575 -19.056 1.00 0.00 H new ATOM 0 HD11 ILE B 39 81.550 9.443 -19.910 1.00 0.00 H new ATOM 0 HD12 ILE B 39 80.610 8.805 -21.280 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.227 8.289 -19.621 1.00 0.00 H new ATOM 731 N ALA B 40 84.399 5.964 -21.654 1.00 0.00 N ATOM 732 CA ALA B 40 85.503 6.323 -22.543 1.00 0.00 C ATOM 733 C ALA B 40 86.257 5.072 -22.987 1.00 0.00 C ATOM 734 O ALA B 40 86.849 5.035 -24.065 1.00 0.00 O ATOM 735 CB ALA B 40 86.461 7.282 -21.832 1.00 0.00 C ATOM 0 H ALA B 40 84.529 6.236 -20.680 1.00 0.00 H new ATOM 0 HA ALA B 40 85.092 6.817 -23.424 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.279 7.543 -22.503 1.00 0.00 H new ATOM 0 HB2 ALA B 40 85.924 8.186 -21.546 1.00 0.00 H new ATOM 0 HB3 ALA B 40 86.862 6.801 -20.940 1.00 0.00 H new ATOM 741 N TRP B 41 86.239 4.080 -22.149 1.00 0.00 N ATOM 742 CA TRP B 41 86.924 2.822 -22.415 1.00 0.00 C ATOM 743 C TRP B 41 86.510 2.213 -23.747 1.00 0.00 C ATOM 744 O TRP B 41 87.343 1.675 -24.475 1.00 0.00 O ATOM 745 CB TRP B 41 86.589 1.847 -21.287 1.00 0.00 C ATOM 746 CG TRP B 41 87.253 0.527 -21.507 1.00 0.00 C ATOM 747 CD1 TRP B 41 86.980 -0.338 -22.516 1.00 0.00 C ATOM 748 CD2 TRP B 41 88.274 -0.109 -20.690 1.00 0.00 C ATOM 749 NE1 TRP B 41 87.789 -1.449 -22.379 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.600 -1.355 -21.266 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.945 0.277 -19.519 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.557 -2.190 -20.701 1.00 0.00 C ATOM 753 CZ3 TRP B 41 89.909 -0.566 -18.942 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.215 -1.799 -19.534 1.00 0.00 C ATOM 0 H TRP B 41 85.751 4.107 -21.254 1.00 0.00 H new ATOM 0 HA TRP B 41 87.995 3.017 -22.466 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.910 2.265 -20.333 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.509 1.710 -21.228 1.00 0.00 H new ATOM 0 HD1 TRP B 41 86.251 -0.183 -23.297 1.00 0.00 H new ATOM 0 HE1 TRP B 41 87.787 -2.241 -23.021 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.719 1.228 -19.059 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.790 -3.138 -21.163 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.417 -0.263 -18.038 1.00 0.00 H new ATOM 0 HH2 TRP B 41 90.958 -2.444 -19.089 1.00 0.00 H new ATOM 765 N THR B 42 85.243 2.244 -24.037 1.00 0.00 N ATOM 766 CA THR B 42 84.742 1.632 -25.263 1.00 0.00 C ATOM 767 C THR B 42 85.564 2.043 -26.484 1.00 0.00 C ATOM 768 O THR B 42 85.766 1.239 -27.388 1.00 0.00 O ATOM 769 CB THR B 42 83.275 2.012 -25.471 1.00 0.00 C ATOM 770 OG1 THR B 42 82.737 1.246 -26.541 1.00 0.00 O ATOM 771 CG2 THR B 42 83.170 3.503 -25.804 1.00 0.00 C ATOM 0 H THR B 42 84.529 2.681 -23.454 1.00 0.00 H new ATOM 0 HA THR B 42 84.832 0.551 -25.154 1.00 0.00 H new ATOM 0 HB THR B 42 82.715 1.808 -24.558 1.00 0.00 H new ATOM 0 HG1 THR B 42 81.797 1.487 -26.675 1.00 0.00 H new ATOM 0 HG21 THR B 42 82.124 3.770 -25.952 1.00 0.00 H new ATOM 0 HG22 THR B 42 83.582 4.089 -24.982 1.00 0.00 H new ATOM 0 HG23 THR B 42 83.730 3.713 -26.715 1.00 0.00 H new ATOM 779 N ILE B 43 86.012 3.266 -26.537 1.00 0.00 N ATOM 780 CA ILE B 43 86.782 3.709 -27.697 1.00 0.00 C ATOM 781 C ILE B 43 87.906 2.722 -28.029 1.00 0.00 C ATOM 782 O ILE B 43 88.063 2.323 -29.183 1.00 0.00 O ATOM 783 CB ILE B 43 87.379 5.097 -27.452 1.00 0.00 C ATOM 784 CG1 ILE B 43 86.259 6.083 -27.104 1.00 0.00 C ATOM 785 CG2 ILE B 43 88.092 5.571 -28.722 1.00 0.00 C ATOM 786 CD1 ILE B 43 86.866 7.429 -26.695 1.00 0.00 C ATOM 0 H ILE B 43 85.869 3.971 -25.814 1.00 0.00 H new ATOM 0 HA ILE B 43 86.097 3.756 -28.544 1.00 0.00 H new ATOM 0 HB ILE B 43 88.089 5.047 -26.626 1.00 0.00 H new ATOM 0 HG12 ILE B 43 85.599 6.216 -27.961 1.00 0.00 H new ATOM 0 HG13 ILE B 43 85.650 5.685 -26.292 1.00 0.00 H new ATOM 0 HG21 ILE B 43 88.519 6.559 -28.552 1.00 0.00 H new ATOM 0 HG22 ILE B 43 88.888 4.871 -28.975 1.00 0.00 H new ATOM 0 HG23 ILE B 43 87.377 5.621 -29.543 1.00 0.00 H new ATOM 0 HD11 ILE B 43 86.067 8.128 -26.448 1.00 0.00 H new ATOM 0 HD12 ILE B 43 87.508 7.289 -25.825 1.00 0.00 H new ATOM 0 HD13 ILE B 43 87.455 7.828 -27.520 1.00 0.00 H new ATOM 798 N GLY B 44 88.677 2.342 -27.044 1.00 0.00 N ATOM 799 CA GLY B 44 89.780 1.407 -27.280 1.00 0.00 C ATOM 800 C GLY B 44 89.292 0.200 -28.079 1.00 0.00 C ATOM 801 O GLY B 44 89.922 -0.210 -29.054 1.00 0.00 O ATOM 0 H GLY B 44 88.576 2.653 -26.078 1.00 0.00 H new ATOM 0 HA2 GLY B 44 90.582 1.909 -27.821 1.00 0.00 H new ATOM 0 HA3 GLY B 44 90.196 1.077 -26.328 1.00 0.00 H new ATOM 805 N HIS B 45 88.229 -0.392 -27.618 1.00 0.00 N ATOM 806 CA HIS B 45 87.682 -1.604 -28.219 1.00 0.00 C ATOM 807 C HIS B 45 87.705 -1.575 -29.748 1.00 0.00 C ATOM 808 O HIS B 45 87.732 -2.632 -30.377 1.00 0.00 O ATOM 809 CB HIS B 45 86.251 -1.809 -27.722 1.00 0.00 C ATOM 810 CG HIS B 45 85.679 -3.075 -28.297 1.00 0.00 C ATOM 811 ND1 HIS B 45 85.145 -3.129 -29.575 1.00 0.00 N ATOM 812 CD2 HIS B 45 85.528 -4.334 -27.773 1.00 0.00 C ATOM 813 CE1 HIS B 45 84.700 -4.384 -29.773 1.00 0.00 C ATOM 814 NE2 HIS B 45 84.909 -5.159 -28.706 1.00 0.00 N ATOM 0 H HIS B 45 87.704 -0.057 -26.810 1.00 0.00 H new ATOM 0 HA HIS B 45 88.317 -2.436 -27.914 1.00 0.00 H new ATOM 0 HB2 HIS B 45 86.240 -1.858 -26.633 1.00 0.00 H new ATOM 0 HB3 HIS B 45 85.633 -0.958 -28.009 1.00 0.00 H new ATOM 0 HD2 HIS B 45 85.842 -4.638 -26.786 1.00 0.00 H new ATOM 0 HE1 HIS B 45 84.231 -4.723 -30.685 1.00 0.00 H new ATOM 0 HE2 HIS B 45 84.667 -6.144 -28.598 1.00 0.00 H new ATOM 823 N LEU B 46 87.737 -0.415 -30.347 1.00 0.00 N ATOM 824 CA LEU B 46 87.814 -0.372 -31.811 1.00 0.00 C ATOM 825 C LEU B 46 88.971 -1.293 -32.263 1.00 0.00 C ATOM 826 O LEU B 46 88.817 -2.133 -33.150 1.00 0.00 O ATOM 827 CB LEU B 46 87.997 1.087 -32.321 1.00 0.00 C ATOM 828 CG LEU B 46 89.440 1.614 -32.093 1.00 0.00 C ATOM 829 CD1 LEU B 46 90.379 1.200 -33.261 1.00 0.00 C ATOM 830 CD2 LEU B 46 89.415 3.152 -31.983 1.00 0.00 C ATOM 0 H LEU B 46 87.713 0.491 -29.879 1.00 0.00 H new ATOM 0 HA LEU B 46 86.881 -0.731 -32.245 1.00 0.00 H new ATOM 0 HB2 LEU B 46 87.760 1.130 -33.384 1.00 0.00 H new ATOM 0 HB3 LEU B 46 87.289 1.740 -31.810 1.00 0.00 H new ATOM 0 HG LEU B 46 89.821 1.177 -31.170 1.00 0.00 H new ATOM 0 HD11 LEU B 46 91.382 1.583 -33.074 1.00 0.00 H new ATOM 0 HD12 LEU B 46 90.413 0.113 -33.333 1.00 0.00 H new ATOM 0 HD13 LEU B 46 90.001 1.614 -34.196 1.00 0.00 H new ATOM 0 HD21 LEU B 46 90.428 3.522 -31.823 1.00 0.00 H new ATOM 0 HD22 LEU B 46 89.015 3.576 -32.904 1.00 0.00 H new ATOM 0 HD23 LEU B 46 88.784 3.447 -31.144 1.00 0.00 H new ATOM 842 N ASN B 47 90.106 -1.081 -31.654 1.00 0.00 N ATOM 843 CA ASN B 47 91.324 -1.832 -31.976 1.00 0.00 C ATOM 844 C ASN B 47 91.055 -3.339 -32.023 1.00 0.00 C ATOM 845 O ASN B 47 91.484 -4.024 -32.951 1.00 0.00 O ATOM 846 CB ASN B 47 92.413 -1.559 -30.933 1.00 0.00 C ATOM 847 CG ASN B 47 92.773 -0.079 -30.918 1.00 0.00 C ATOM 848 OD1 ASN B 47 93.488 0.397 -31.799 1.00 0.00 O ATOM 849 ND2 ASN B 47 92.321 0.681 -29.958 1.00 0.00 N ATOM 0 H ASN B 47 90.229 -0.386 -30.918 1.00 0.00 H new ATOM 0 HA ASN B 47 91.658 -1.500 -32.959 1.00 0.00 H new ATOM 0 HB2 ASN B 47 92.066 -1.866 -29.946 1.00 0.00 H new ATOM 0 HB3 ASN B 47 93.299 -2.153 -31.158 1.00 0.00 H new ATOM 0 HD21 ASN B 47 92.560 1.672 -29.937 1.00 0.00 H new ATOM 0 HD22 ASN B 47 91.728 0.284 -29.229 1.00 0.00 H new ATOM 856 N GLN B 48 90.366 -3.836 -31.036 1.00 0.00 N ATOM 857 CA GLN B 48 90.051 -5.257 -30.959 1.00 0.00 C ATOM 858 C GLN B 48 89.610 -5.829 -32.307 1.00 0.00 C ATOM 859 O GLN B 48 90.447 -6.214 -33.123 1.00 0.00 O ATOM 860 CB GLN B 48 88.963 -5.480 -29.910 1.00 0.00 C ATOM 861 CG GLN B 48 89.456 -4.950 -28.563 1.00 0.00 C ATOM 862 CD GLN B 48 90.638 -5.774 -28.072 1.00 0.00 C ATOM 863 OE1 GLN B 48 91.780 -5.484 -28.429 1.00 0.00 O ATOM 864 NE2 GLN B 48 90.435 -6.784 -27.271 1.00 0.00 N ATOM 0 H GLN B 48 90.003 -3.282 -30.260 1.00 0.00 H new ATOM 0 HA GLN B 48 90.961 -5.785 -30.672 1.00 0.00 H new ATOM 0 HB2 GLN B 48 88.046 -4.968 -30.203 1.00 0.00 H new ATOM 0 HB3 GLN B 48 88.725 -6.541 -29.833 1.00 0.00 H new ATOM 0 HG2 GLN B 48 89.748 -3.904 -28.661 1.00 0.00 H new ATOM 0 HG3 GLN B 48 88.649 -4.988 -27.832 1.00 0.00 H new ATOM 0 HE21 GLN B 48 89.487 -7.020 -26.978 1.00 0.00 H new ATOM 0 HE22 GLN B 48 91.224 -7.337 -26.938 1.00 0.00 H new ATOM 873 N ILE B 49 88.319 -5.909 -32.519 1.00 0.00 N ATOM 874 CA ILE B 49 87.774 -6.470 -33.760 1.00 0.00 C ATOM 875 C ILE B 49 88.640 -6.126 -34.973 1.00 0.00 C ATOM 876 O ILE B 49 89.164 -7.023 -35.635 1.00 0.00 O ATOM 877 CB ILE B 49 86.334 -5.983 -33.977 1.00 0.00 C ATOM 878 CG1 ILE B 49 85.819 -6.499 -35.326 1.00 0.00 C ATOM 879 CG2 ILE B 49 86.276 -4.447 -33.955 1.00 0.00 C ATOM 880 CD1 ILE B 49 84.297 -6.360 -35.378 1.00 0.00 C ATOM 0 H ILE B 49 87.613 -5.595 -31.853 1.00 0.00 H new ATOM 0 HA ILE B 49 87.774 -7.555 -33.656 1.00 0.00 H new ATOM 0 HB ILE B 49 85.707 -6.367 -33.172 1.00 0.00 H new ATOM 0 HG12 ILE B 49 86.274 -5.936 -36.141 1.00 0.00 H new ATOM 0 HG13 ILE B 49 86.104 -7.542 -35.461 1.00 0.00 H new ATOM 0 HG21 ILE B 49 85.248 -4.119 -34.110 1.00 0.00 H new ATOM 0 HG22 ILE B 49 86.631 -4.083 -32.991 1.00 0.00 H new ATOM 0 HG23 ILE B 49 86.908 -4.048 -34.748 1.00 0.00 H new ATOM 0 HD11 ILE B 49 83.931 -6.727 -36.337 1.00 0.00 H new ATOM 0 HD12 ILE B 49 83.851 -6.943 -34.572 1.00 0.00 H new ATOM 0 HD13 ILE B 49 84.023 -5.311 -35.262 1.00 0.00 H new ATOM 892 N LYS B 50 88.783 -4.857 -35.265 1.00 0.00 N ATOM 893 CA LYS B 50 89.588 -4.425 -36.411 1.00 0.00 C ATOM 894 C LYS B 50 90.851 -5.274 -36.553 1.00 0.00 C ATOM 895 O LYS B 50 91.034 -5.968 -37.553 1.00 0.00 O ATOM 896 CB LYS B 50 89.990 -2.953 -36.239 1.00 0.00 C ATOM 897 CG LYS B 50 88.769 -2.035 -36.447 1.00 0.00 C ATOM 898 CD LYS B 50 88.590 -1.715 -37.937 1.00 0.00 C ATOM 899 CE LYS B 50 87.432 -0.729 -38.110 1.00 0.00 C ATOM 900 NZ LYS B 50 87.778 0.562 -37.452 1.00 0.00 N ATOM 0 H LYS B 50 88.359 -4.096 -34.734 1.00 0.00 H new ATOM 0 HA LYS B 50 88.983 -4.547 -37.310 1.00 0.00 H new ATOM 0 HB2 LYS B 50 90.405 -2.797 -35.243 1.00 0.00 H new ATOM 0 HB3 LYS B 50 90.772 -2.697 -36.954 1.00 0.00 H new ATOM 0 HG2 LYS B 50 87.872 -2.519 -36.062 1.00 0.00 H new ATOM 0 HG3 LYS B 50 88.900 -1.111 -35.883 1.00 0.00 H new ATOM 0 HD2 LYS B 50 89.508 -1.289 -38.342 1.00 0.00 H new ATOM 0 HD3 LYS B 50 88.390 -2.630 -38.495 1.00 0.00 H new ATOM 0 HE2 LYS B 50 87.233 -0.568 -39.169 1.00 0.00 H new ATOM 0 HE3 LYS B 50 86.522 -1.140 -37.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 87.204 1.326 -37.863 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 87.586 0.494 -36.432 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 88.786 0.768 -37.601 1.00 0.00 H new ATOM 914 N ARG B 51 91.700 -5.217 -35.565 1.00 0.00 N ATOM 915 CA ARG B 51 92.937 -5.986 -35.590 1.00 0.00 C ATOM 916 C ARG B 51 92.641 -7.480 -35.496 1.00 0.00 C ATOM 917 O ARG B 51 93.409 -8.307 -35.988 1.00 0.00 O ATOM 918 CB ARG B 51 93.840 -5.565 -34.431 1.00 0.00 C ATOM 919 CG ARG B 51 94.416 -4.175 -34.715 1.00 0.00 C ATOM 920 CD ARG B 51 95.367 -3.777 -33.586 1.00 0.00 C ATOM 921 NE ARG B 51 95.964 -2.477 -33.866 1.00 0.00 N ATOM 922 CZ ARG B 51 96.870 -2.336 -34.794 1.00 0.00 C ATOM 923 NH1 ARG B 51 97.258 -3.371 -35.488 1.00 0.00 N ATOM 924 NH2 ARG B 51 97.388 -1.162 -35.028 1.00 0.00 N ATOM 0 H ARG B 51 91.568 -4.650 -34.728 1.00 0.00 H new ATOM 0 HA ARG B 51 93.447 -5.788 -36.533 1.00 0.00 H new ATOM 0 HB2 ARG B 51 93.274 -5.553 -33.500 1.00 0.00 H new ATOM 0 HB3 ARG B 51 94.647 -6.286 -34.304 1.00 0.00 H new ATOM 0 HG2 ARG B 51 94.946 -4.177 -35.668 1.00 0.00 H new ATOM 0 HG3 ARG B 51 93.610 -3.446 -34.800 1.00 0.00 H new ATOM 0 HD2 ARG B 51 94.826 -3.741 -32.641 1.00 0.00 H new ATOM 0 HD3 ARG B 51 96.149 -4.529 -33.477 1.00 0.00 H new ATOM 0 HE ARG B 51 95.668 -1.663 -33.327 1.00 0.00 H new ATOM 0 HH11 ARG B 51 96.853 -4.289 -35.305 1.00 0.00 H new ATOM 0 HH12 ARG B 51 97.966 -3.262 -36.214 1.00 0.00 H new ATOM 0 HH21 ARG B 51 97.085 -0.353 -34.485 1.00 0.00 H new ATOM 0 HH22 ARG B 51 98.096 -1.053 -35.754 1.00 0.00 H new ATOM 938 N GLY B 52 91.544 -7.810 -34.873 1.00 0.00 N ATOM 939 CA GLY B 52 91.152 -9.207 -34.721 1.00 0.00 C ATOM 940 C GLY B 52 89.751 -9.319 -34.132 1.00 0.00 C ATOM 0 H GLY B 52 90.897 -7.140 -34.458 1.00 0.00 H new ATOM 0 HA2 GLY B 52 91.184 -9.705 -35.690 1.00 0.00 H new ATOM 0 HA3 GLY B 52 91.864 -9.720 -34.075 1.00 0.00 H new TER 944 GLY B 52 ATOM 945 N SER C 23 94.450 10.171 10.212 1.00 0.00 N ATOM 946 CA SER C 23 93.590 11.054 9.374 1.00 0.00 C ATOM 947 C SER C 23 93.201 10.318 8.095 1.00 0.00 C ATOM 948 O SER C 23 93.126 10.919 7.024 1.00 0.00 O ATOM 949 CB SER C 23 94.361 12.328 9.024 1.00 0.00 C ATOM 950 OG SER C 23 93.500 13.222 8.332 1.00 0.00 O ATOM 0 HA SER C 23 92.688 11.318 9.925 1.00 0.00 H new ATOM 0 HB2 SER C 23 94.740 12.799 9.931 1.00 0.00 H new ATOM 0 HB3 SER C 23 95.225 12.086 8.406 1.00 0.00 H new ATOM 0 HG SER C 23 93.057 12.747 7.598 1.00 0.00 H new ATOM 955 N ASP C 24 92.948 9.037 8.216 1.00 0.00 N ATOM 956 CA ASP C 24 92.555 8.226 7.071 1.00 0.00 C ATOM 957 C ASP C 24 93.368 8.602 5.838 1.00 0.00 C ATOM 958 O ASP C 24 92.809 8.916 4.787 1.00 0.00 O ATOM 959 CB ASP C 24 91.067 8.427 6.785 1.00 0.00 C ATOM 960 CG ASP C 24 90.798 9.882 6.417 1.00 0.00 C ATOM 961 OD1 ASP C 24 90.708 10.694 7.324 1.00 0.00 O ATOM 962 OD2 ASP C 24 90.687 10.164 5.236 1.00 0.00 O ATOM 0 H ASP C 24 93.005 8.525 9.096 1.00 0.00 H new ATOM 0 HA ASP C 24 92.746 7.179 7.307 1.00 0.00 H new ATOM 0 HB2 ASP C 24 90.753 7.774 5.971 1.00 0.00 H new ATOM 0 HB3 ASP C 24 90.479 8.150 7.660 1.00 0.00 H new ATOM 967 N PRO C 25 94.670 8.578 5.948 1.00 0.00 N ATOM 968 CA PRO C 25 95.569 8.927 4.813 1.00 0.00 C ATOM 969 C PRO C 25 95.410 7.933 3.671 1.00 0.00 C ATOM 970 O PRO C 25 95.797 8.203 2.535 1.00 0.00 O ATOM 971 CB PRO C 25 96.982 8.873 5.427 1.00 0.00 C ATOM 972 CG PRO C 25 96.850 7.998 6.636 1.00 0.00 C ATOM 973 CD PRO C 25 95.429 8.209 7.157 1.00 0.00 C ATOM 0 HA PRO C 25 95.348 9.902 4.379 1.00 0.00 H new ATOM 0 HB2 PRO C 25 97.703 8.463 4.720 1.00 0.00 H new ATOM 0 HB3 PRO C 25 97.332 9.869 5.698 1.00 0.00 H new ATOM 0 HG2 PRO C 25 97.021 6.952 6.381 1.00 0.00 H new ATOM 0 HG3 PRO C 25 97.587 8.266 7.393 1.00 0.00 H new ATOM 0 HD2 PRO C 25 95.033 7.305 7.619 1.00 0.00 H new ATOM 0 HD3 PRO C 25 95.391 8.996 7.911 1.00 0.00 H new ATOM 981 N LEU C 26 94.868 6.793 3.984 1.00 0.00 N ATOM 982 CA LEU C 26 94.681 5.751 2.978 1.00 0.00 C ATOM 983 C LEU C 26 93.746 6.217 1.856 1.00 0.00 C ATOM 984 O LEU C 26 94.013 5.981 0.677 1.00 0.00 O ATOM 985 CB LEU C 26 94.093 4.495 3.640 1.00 0.00 C ATOM 986 CG LEU C 26 95.189 3.709 4.363 1.00 0.00 C ATOM 987 CD1 LEU C 26 95.914 4.624 5.351 1.00 0.00 C ATOM 988 CD2 LEU C 26 94.551 2.542 5.122 1.00 0.00 C ATOM 0 H LEU C 26 94.544 6.547 4.919 1.00 0.00 H new ATOM 0 HA LEU C 26 95.654 5.526 2.542 1.00 0.00 H new ATOM 0 HB2 LEU C 26 93.314 4.780 4.348 1.00 0.00 H new ATOM 0 HB3 LEU C 26 93.623 3.865 2.885 1.00 0.00 H new ATOM 0 HG LEU C 26 95.906 3.328 3.635 1.00 0.00 H new ATOM 0 HD11 LEU C 26 96.694 4.061 5.864 1.00 0.00 H new ATOM 0 HD12 LEU C 26 96.364 5.458 4.812 1.00 0.00 H new ATOM 0 HD13 LEU C 26 95.202 5.007 6.082 1.00 0.00 H new ATOM 0 HD21 LEU C 26 95.326 1.977 5.640 1.00 0.00 H new ATOM 0 HD22 LEU C 26 93.837 2.928 5.849 1.00 0.00 H new ATOM 0 HD23 LEU C 26 94.035 1.889 4.418 1.00 0.00 H new ATOM 1000 N VAL C 27 92.659 6.836 2.224 1.00 0.00 N ATOM 1001 CA VAL C 27 91.670 7.298 1.249 1.00 0.00 C ATOM 1002 C VAL C 27 92.215 8.369 0.305 1.00 0.00 C ATOM 1003 O VAL C 27 91.983 8.314 -0.903 1.00 0.00 O ATOM 1004 CB VAL C 27 90.464 7.888 1.985 1.00 0.00 C ATOM 1005 CG1 VAL C 27 89.419 8.354 0.971 1.00 0.00 C ATOM 1006 CG2 VAL C 27 89.845 6.833 2.903 1.00 0.00 C ATOM 0 H VAL C 27 92.421 7.040 3.195 1.00 0.00 H new ATOM 0 HA VAL C 27 91.394 6.429 0.652 1.00 0.00 H new ATOM 0 HB VAL C 27 90.795 8.736 2.584 1.00 0.00 H new ATOM 0 HG11 VAL C 27 88.562 8.773 1.498 1.00 0.00 H new ATOM 0 HG12 VAL C 27 89.854 9.115 0.323 1.00 0.00 H new ATOM 0 HG13 VAL C 27 89.094 7.506 0.367 1.00 0.00 H new ATOM 0 HG21 VAL C 27 88.988 7.261 3.423 1.00 0.00 H new ATOM 0 HG22 VAL C 27 89.520 5.979 2.309 1.00 0.00 H new ATOM 0 HG23 VAL C 27 90.586 6.506 3.633 1.00 0.00 H new ATOM 1016 N VAL C 28 92.898 9.339 0.846 1.00 0.00 N ATOM 1017 CA VAL C 28 93.427 10.426 0.025 1.00 0.00 C ATOM 1018 C VAL C 28 94.594 9.976 -0.849 1.00 0.00 C ATOM 1019 O VAL C 28 94.701 10.386 -2.003 1.00 0.00 O ATOM 1020 CB VAL C 28 93.847 11.619 0.909 1.00 0.00 C ATOM 1021 CG1 VAL C 28 95.247 11.390 1.493 1.00 0.00 C ATOM 1022 CG2 VAL C 28 93.859 12.905 0.070 1.00 0.00 C ATOM 0 H VAL C 28 93.108 9.412 1.842 1.00 0.00 H new ATOM 0 HA VAL C 28 92.625 10.742 -0.643 1.00 0.00 H new ATOM 0 HB VAL C 28 93.131 11.713 1.725 1.00 0.00 H new ATOM 0 HG11 VAL C 28 95.526 12.242 2.113 1.00 0.00 H new ATOM 0 HG12 VAL C 28 95.245 10.484 2.100 1.00 0.00 H new ATOM 0 HG13 VAL C 28 95.966 11.281 0.681 1.00 0.00 H new ATOM 0 HG21 VAL C 28 94.156 13.746 0.697 1.00 0.00 H new ATOM 0 HG22 VAL C 28 94.567 12.797 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL C 28 92.862 13.086 -0.332 1.00 0.00 H new ATOM 1032 N ALA C 29 95.461 9.175 -0.295 1.00 0.00 N ATOM 1033 CA ALA C 29 96.640 8.699 -1.011 1.00 0.00 C ATOM 1034 C ALA C 29 96.303 7.693 -2.119 1.00 0.00 C ATOM 1035 O ALA C 29 97.050 7.583 -3.092 1.00 0.00 O ATOM 1036 CB ALA C 29 97.605 8.046 -0.020 1.00 0.00 C ATOM 0 H ALA C 29 95.382 8.828 0.661 1.00 0.00 H new ATOM 0 HA ALA C 29 97.095 9.567 -1.488 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.487 7.689 -0.552 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.905 8.777 0.731 1.00 0.00 H new ATOM 0 HB3 ALA C 29 97.112 7.206 0.468 1.00 0.00 H new ATOM 1042 N ALA C 30 95.226 6.955 -1.981 1.00 0.00 N ATOM 1043 CA ALA C 30 94.879 5.973 -2.993 1.00 0.00 C ATOM 1044 C ALA C 30 94.323 6.614 -4.269 1.00 0.00 C ATOM 1045 O ALA C 30 94.567 6.119 -5.369 1.00 0.00 O ATOM 1046 CB ALA C 30 93.900 4.967 -2.405 1.00 0.00 C ATOM 0 H ALA C 30 94.581 7.010 -1.193 1.00 0.00 H new ATOM 0 HA ALA C 30 95.792 5.457 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA C 30 93.638 4.229 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA C 30 94.361 4.466 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA C 30 92.999 5.485 -2.077 1.00 0.00 H new ATOM 1052 N SER C 31 93.569 7.681 -4.131 1.00 0.00 N ATOM 1053 CA SER C 31 92.969 8.353 -5.291 1.00 0.00 C ATOM 1054 C SER C 31 94.010 9.073 -6.151 1.00 0.00 C ATOM 1055 O SER C 31 93.812 9.261 -7.352 1.00 0.00 O ATOM 1056 CB SER C 31 91.932 9.366 -4.807 1.00 0.00 C ATOM 1057 OG SER C 31 91.278 9.939 -5.931 1.00 0.00 O ATOM 0 H SER C 31 93.349 8.112 -3.233 1.00 0.00 H new ATOM 0 HA SER C 31 92.503 7.586 -5.909 1.00 0.00 H new ATOM 0 HB2 SER C 31 91.205 8.878 -4.158 1.00 0.00 H new ATOM 0 HB3 SER C 31 92.415 10.144 -4.216 1.00 0.00 H new ATOM 0 HG SER C 31 90.611 10.588 -5.625 1.00 0.00 H new ATOM 1063 N ILE C 32 95.068 9.509 -5.533 1.00 0.00 N ATOM 1064 CA ILE C 32 96.112 10.261 -6.231 1.00 0.00 C ATOM 1065 C ILE C 32 96.463 9.584 -7.554 1.00 0.00 C ATOM 1066 O ILE C 32 96.683 10.257 -8.562 1.00 0.00 O ATOM 1067 CB ILE C 32 97.356 10.321 -5.337 1.00 0.00 C ATOM 1068 CG1 ILE C 32 96.942 10.659 -3.907 1.00 0.00 C ATOM 1069 CG2 ILE C 32 98.334 11.378 -5.827 1.00 0.00 C ATOM 1070 CD1 ILE C 32 96.118 11.951 -3.869 1.00 0.00 C ATOM 0 H ILE C 32 95.247 9.364 -4.539 1.00 0.00 H new ATOM 0 HA ILE C 32 95.752 11.268 -6.443 1.00 0.00 H new ATOM 0 HB ILE C 32 97.844 9.347 -5.372 1.00 0.00 H new ATOM 0 HG12 ILE C 32 96.359 9.838 -3.489 1.00 0.00 H new ATOM 0 HG13 ILE C 32 97.829 10.770 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE C 32 99.206 11.398 -5.174 1.00 0.00 H new ATOM 0 HG22 ILE C 32 98.647 11.140 -6.844 1.00 0.00 H new ATOM 0 HG23 ILE C 32 97.850 12.355 -5.816 1.00 0.00 H new ATOM 0 HD11 ILE C 32 95.834 12.172 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE C 32 96.713 12.774 -4.266 1.00 0.00 H new ATOM 0 HD13 ILE C 32 95.220 11.828 -4.474 1.00 0.00 H new ATOM 1082 N ILE C 33 96.487 8.284 -7.557 1.00 0.00 N ATOM 1083 CA ILE C 33 96.782 7.541 -8.777 1.00 0.00 C ATOM 1084 C ILE C 33 95.648 7.727 -9.789 1.00 0.00 C ATOM 1085 O ILE C 33 95.878 7.880 -10.987 1.00 0.00 O ATOM 1086 CB ILE C 33 96.936 6.052 -8.447 1.00 0.00 C ATOM 1087 CG1 ILE C 33 98.175 5.848 -7.568 1.00 0.00 C ATOM 1088 CG2 ILE C 33 97.091 5.249 -9.741 1.00 0.00 C ATOM 1089 CD1 ILE C 33 98.187 4.416 -7.026 1.00 0.00 C ATOM 0 H ILE C 33 96.308 7.704 -6.737 1.00 0.00 H new ATOM 0 HA ILE C 33 97.710 7.916 -9.208 1.00 0.00 H new ATOM 0 HB ILE C 33 96.050 5.708 -7.913 1.00 0.00 H new ATOM 0 HG12 ILE C 33 99.079 6.037 -8.146 1.00 0.00 H new ATOM 0 HG13 ILE C 33 98.170 6.560 -6.743 1.00 0.00 H new ATOM 0 HG21 ILE C 33 97.200 4.191 -9.502 1.00 0.00 H new ATOM 0 HG22 ILE C 33 96.209 5.391 -10.365 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.975 5.593 -10.279 1.00 0.00 H new ATOM 0 HD11 ILE C 33 99.068 4.271 -6.401 1.00 0.00 H new ATOM 0 HD12 ILE C 33 97.289 4.244 -6.433 1.00 0.00 H new ATOM 0 HD13 ILE C 33 98.213 3.712 -7.858 1.00 0.00 H new ATOM 1101 N GLY C 34 94.447 7.668 -9.294 1.00 0.00 N ATOM 1102 CA GLY C 34 93.255 7.781 -10.134 1.00 0.00 C ATOM 1103 C GLY C 34 93.300 8.977 -11.091 1.00 0.00 C ATOM 1104 O GLY C 34 93.047 8.824 -12.283 1.00 0.00 O ATOM 0 H GLY C 34 94.249 7.541 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY C 34 93.139 6.865 -10.713 1.00 0.00 H new ATOM 0 HA3 GLY C 34 92.376 7.868 -9.496 1.00 0.00 H new ATOM 1108 N ILE C 35 93.594 10.143 -10.592 1.00 0.00 N ATOM 1109 CA ILE C 35 93.627 11.327 -11.452 1.00 0.00 C ATOM 1110 C ILE C 35 94.794 11.271 -12.440 1.00 0.00 C ATOM 1111 O ILE C 35 94.718 11.822 -13.538 1.00 0.00 O ATOM 1112 CB ILE C 35 93.723 12.594 -10.604 1.00 0.00 C ATOM 1113 CG1 ILE C 35 94.913 12.483 -9.649 1.00 0.00 C ATOM 1114 CG2 ILE C 35 92.434 12.766 -9.797 1.00 0.00 C ATOM 1115 CD1 ILE C 35 95.116 13.820 -8.936 1.00 0.00 C ATOM 0 H ILE C 35 93.814 10.315 -9.611 1.00 0.00 H new ATOM 0 HA ILE C 35 92.700 11.346 -12.026 1.00 0.00 H new ATOM 0 HB ILE C 35 93.862 13.457 -11.256 1.00 0.00 H new ATOM 0 HG12 ILE C 35 94.736 11.692 -8.920 1.00 0.00 H new ATOM 0 HG13 ILE C 35 95.813 12.212 -10.201 1.00 0.00 H new ATOM 0 HG21 ILE C 35 92.502 13.670 -9.192 1.00 0.00 H new ATOM 0 HG22 ILE C 35 91.587 12.848 -10.478 1.00 0.00 H new ATOM 0 HG23 ILE C 35 92.294 11.903 -9.146 1.00 0.00 H new ATOM 0 HD11 ILE C 35 95.963 13.744 -8.255 1.00 0.00 H new ATOM 0 HD12 ILE C 35 95.311 14.599 -9.673 1.00 0.00 H new ATOM 0 HD13 ILE C 35 94.218 14.071 -8.372 1.00 0.00 H new ATOM 1127 N LEU C 36 95.850 10.620 -12.046 1.00 0.00 N ATOM 1128 CA LEU C 36 97.034 10.497 -12.893 1.00 0.00 C ATOM 1129 C LEU C 36 96.721 9.732 -14.183 1.00 0.00 C ATOM 1130 O LEU C 36 97.372 9.937 -15.207 1.00 0.00 O ATOM 1131 CB LEU C 36 98.139 9.767 -12.111 1.00 0.00 C ATOM 1132 CG LEU C 36 99.460 9.737 -12.906 1.00 0.00 C ATOM 1133 CD1 LEU C 36 100.140 11.112 -12.877 1.00 0.00 C ATOM 1134 CD2 LEU C 36 100.395 8.701 -12.279 1.00 0.00 C ATOM 0 H LEU C 36 95.930 10.158 -11.140 1.00 0.00 H new ATOM 0 HA LEU C 36 97.367 11.497 -13.170 1.00 0.00 H new ATOM 0 HB2 LEU C 36 98.299 10.263 -11.154 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.820 8.748 -11.892 1.00 0.00 H new ATOM 0 HG LEU C 36 99.243 9.475 -13.942 1.00 0.00 H new ATOM 0 HD11 LEU C 36 101.070 11.070 -13.443 1.00 0.00 H new ATOM 0 HD12 LEU C 36 99.478 11.855 -13.322 1.00 0.00 H new ATOM 0 HD13 LEU C 36 100.356 11.390 -11.845 1.00 0.00 H new ATOM 0 HD21 LEU C 36 101.332 8.673 -12.835 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.596 8.972 -11.243 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.924 7.719 -12.312 1.00 0.00 H new ATOM 1146 N HIS C 37 95.762 8.850 -14.128 1.00 0.00 N ATOM 1147 CA HIS C 37 95.409 8.052 -15.304 1.00 0.00 C ATOM 1148 C HIS C 37 94.707 8.881 -16.386 1.00 0.00 C ATOM 1149 O HIS C 37 94.895 8.637 -17.577 1.00 0.00 O ATOM 1150 CB HIS C 37 94.547 6.840 -14.886 1.00 0.00 C ATOM 1151 CG HIS C 37 93.078 7.192 -14.782 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.386 7.860 -15.784 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.149 6.937 -13.802 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.106 7.983 -15.385 1.00 0.00 C ATOM 1155 NE2 HIS C 37 90.909 7.436 -14.184 1.00 0.00 N ATOM 0 H HIS C 37 95.206 8.655 -13.296 1.00 0.00 H new ATOM 0 HA HIS C 37 96.338 7.691 -15.745 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.676 6.037 -15.612 1.00 0.00 H new ATOM 0 HB3 HIS C 37 94.897 6.461 -13.926 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.352 6.425 -12.873 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.334 8.465 -15.966 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.036 7.393 -13.659 1.00 0.00 H new ATOM 1164 N PHE C 38 93.887 9.816 -15.978 1.00 0.00 N ATOM 1165 CA PHE C 38 93.142 10.630 -16.940 1.00 0.00 C ATOM 1166 C PHE C 38 94.070 11.380 -17.898 1.00 0.00 C ATOM 1167 O PHE C 38 93.880 11.329 -19.112 1.00 0.00 O ATOM 1168 CB PHE C 38 92.250 11.633 -16.204 1.00 0.00 C ATOM 1169 CG PHE C 38 91.527 12.493 -17.216 1.00 0.00 C ATOM 1170 CD1 PHE C 38 92.181 13.593 -17.785 1.00 0.00 C ATOM 1171 CD2 PHE C 38 90.211 12.189 -17.596 1.00 0.00 C ATOM 1172 CE1 PHE C 38 91.525 14.389 -18.729 1.00 0.00 C ATOM 1173 CE2 PHE C 38 89.555 12.988 -18.539 1.00 0.00 C ATOM 1174 CZ PHE C 38 90.211 14.086 -19.107 1.00 0.00 C ATOM 0 H PHE C 38 93.711 10.041 -14.999 1.00 0.00 H new ATOM 0 HA PHE C 38 92.528 9.950 -17.530 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.531 11.106 -15.577 1.00 0.00 H new ATOM 0 HB3 PHE C 38 92.852 12.257 -15.543 1.00 0.00 H new ATOM 0 HD1 PHE C 38 93.194 13.827 -17.494 1.00 0.00 H new ATOM 0 HD2 PHE C 38 89.705 11.340 -17.161 1.00 0.00 H new ATOM 0 HE1 PHE C 38 92.031 15.237 -19.166 1.00 0.00 H new ATOM 0 HE2 PHE C 38 88.541 12.757 -18.829 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.704 14.700 -19.837 1.00 0.00 H new ATOM 1184 N ILE C 39 95.042 12.071 -17.374 1.00 0.00 N ATOM 1185 CA ILE C 39 95.957 12.823 -18.229 1.00 0.00 C ATOM 1186 C ILE C 39 96.735 11.874 -19.134 1.00 0.00 C ATOM 1187 O ILE C 39 97.101 12.227 -20.249 1.00 0.00 O ATOM 1188 CB ILE C 39 96.921 13.657 -17.378 1.00 0.00 C ATOM 1189 CG1 ILE C 39 97.951 14.369 -18.274 1.00 0.00 C ATOM 1190 CG2 ILE C 39 97.653 12.743 -16.397 1.00 0.00 C ATOM 1191 CD1 ILE C 39 97.239 15.206 -19.343 1.00 0.00 C ATOM 0 H ILE C 39 95.232 12.138 -16.374 1.00 0.00 H new ATOM 0 HA ILE C 39 95.372 13.499 -18.853 1.00 0.00 H new ATOM 0 HB ILE C 39 96.348 14.407 -16.832 1.00 0.00 H new ATOM 0 HG12 ILE C 39 98.590 15.010 -17.667 1.00 0.00 H new ATOM 0 HG13 ILE C 39 98.599 13.633 -18.751 1.00 0.00 H new ATOM 0 HG21 ILE C 39 98.339 13.335 -15.791 1.00 0.00 H new ATOM 0 HG22 ILE C 39 96.928 12.251 -15.748 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.215 11.991 -16.951 1.00 0.00 H new ATOM 0 HD11 ILE C 39 97.980 15.703 -19.969 1.00 0.00 H new ATOM 0 HD12 ILE C 39 96.620 14.556 -19.961 1.00 0.00 H new ATOM 0 HD13 ILE C 39 96.611 15.954 -18.860 1.00 0.00 H new ATOM 1203 N ALA C 40 96.968 10.686 -18.661 1.00 0.00 N ATOM 1204 CA ALA C 40 97.678 9.695 -19.454 1.00 0.00 C ATOM 1205 C ALA C 40 96.783 9.186 -20.580 1.00 0.00 C ATOM 1206 O ALA C 40 97.253 8.856 -21.664 1.00 0.00 O ATOM 1207 CB ALA C 40 98.109 8.523 -18.570 1.00 0.00 C ATOM 0 H ALA C 40 96.683 10.369 -17.735 1.00 0.00 H new ATOM 0 HA ALA C 40 98.564 10.162 -19.884 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.640 7.787 -19.174 1.00 0.00 H new ATOM 0 HB2 ALA C 40 98.766 8.886 -17.780 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.228 8.060 -18.125 1.00 0.00 H new ATOM 1213 N TRP C 41 95.511 9.091 -20.291 1.00 0.00 N ATOM 1214 CA TRP C 41 94.524 8.576 -21.235 1.00 0.00 C ATOM 1215 C TRP C 41 94.640 9.227 -22.612 1.00 0.00 C ATOM 1216 O TRP C 41 94.700 8.538 -23.630 1.00 0.00 O ATOM 1217 CB TRP C 41 93.139 8.857 -20.654 1.00 0.00 C ATOM 1218 CG TRP C 41 92.088 8.123 -21.416 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.739 8.373 -22.697 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.227 7.043 -20.956 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.727 7.499 -23.061 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.376 6.661 -22.018 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.108 6.361 -19.732 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.439 5.637 -21.870 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.164 5.333 -19.580 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.332 4.972 -20.647 1.00 0.00 C ATOM 0 H TRP C 41 95.117 9.368 -19.392 1.00 0.00 H new ATOM 0 HA TRP C 41 94.695 7.509 -21.374 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.111 8.558 -19.606 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.937 9.928 -20.685 1.00 0.00 H new ATOM 0 HD1 TRP C 41 92.176 9.129 -23.332 1.00 0.00 H new ATOM 0 HE1 TRP C 41 90.294 7.476 -23.984 1.00 0.00 H new ATOM 0 HE3 TRP C 41 91.747 6.630 -18.904 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.801 5.361 -22.696 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.079 4.818 -18.635 1.00 0.00 H new ATOM 0 HH2 TRP C 41 88.608 4.180 -20.524 1.00 0.00 H new ATOM 1237 N THR C 42 94.652 10.526 -22.638 1.00 0.00 N ATOM 1238 CA THR C 42 94.737 11.261 -23.898 1.00 0.00 C ATOM 1239 C THR C 42 95.906 10.782 -24.758 1.00 0.00 C ATOM 1240 O THR C 42 95.863 10.905 -25.982 1.00 0.00 O ATOM 1241 CB THR C 42 94.883 12.763 -23.642 1.00 0.00 C ATOM 1242 OG1 THR C 42 95.478 13.378 -24.777 1.00 0.00 O ATOM 1243 CG2 THR C 42 95.765 12.987 -22.423 1.00 0.00 C ATOM 0 H THR C 42 94.604 11.115 -21.806 1.00 0.00 H new ATOM 0 HA THR C 42 93.809 11.070 -24.438 1.00 0.00 H new ATOM 0 HB THR C 42 93.900 13.200 -23.463 1.00 0.00 H new ATOM 0 HG1 THR C 42 95.571 14.340 -24.616 1.00 0.00 H new ATOM 0 HG21 THR C 42 95.869 14.057 -22.241 1.00 0.00 H new ATOM 0 HG22 THR C 42 95.310 12.513 -21.553 1.00 0.00 H new ATOM 0 HG23 THR C 42 96.749 12.552 -22.601 1.00 0.00 H new ATOM 1251 N ILE C 43 96.943 10.268 -24.143 1.00 0.00 N ATOM 1252 CA ILE C 43 98.109 9.812 -24.899 1.00 0.00 C ATOM 1253 C ILE C 43 97.766 8.609 -25.780 1.00 0.00 C ATOM 1254 O ILE C 43 98.322 8.463 -26.861 1.00 0.00 O ATOM 1255 CB ILE C 43 99.268 9.473 -23.923 1.00 0.00 C ATOM 1256 CG1 ILE C 43 100.623 9.795 -24.574 1.00 0.00 C ATOM 1257 CG2 ILE C 43 99.250 7.983 -23.534 1.00 0.00 C ATOM 1258 CD1 ILE C 43 101.750 9.548 -23.565 1.00 0.00 C ATOM 0 H ILE C 43 97.015 10.151 -23.132 1.00 0.00 H new ATOM 0 HA ILE C 43 98.428 10.617 -25.561 1.00 0.00 H new ATOM 0 HB ILE C 43 99.130 10.078 -23.027 1.00 0.00 H new ATOM 0 HG12 ILE C 43 100.770 9.174 -25.458 1.00 0.00 H new ATOM 0 HG13 ILE C 43 100.640 10.833 -24.907 1.00 0.00 H new ATOM 0 HG21 ILE C 43 100.073 7.776 -22.850 1.00 0.00 H new ATOM 0 HG22 ILE C 43 98.304 7.746 -23.047 1.00 0.00 H new ATOM 0 HG23 ILE C 43 99.360 7.372 -24.430 1.00 0.00 H new ATOM 0 HD11 ILE C 43 102.710 9.777 -24.028 1.00 0.00 H new ATOM 0 HD12 ILE C 43 101.606 10.188 -22.694 1.00 0.00 H new ATOM 0 HD13 ILE C 43 101.737 8.503 -23.254 1.00 0.00 H new ATOM 1270 N GLY C 44 96.879 7.770 -25.308 1.00 0.00 N ATOM 1271 CA GLY C 44 96.466 6.582 -26.060 1.00 0.00 C ATOM 1272 C GLY C 44 95.585 6.960 -27.249 1.00 0.00 C ATOM 1273 O GLY C 44 95.590 6.291 -28.283 1.00 0.00 O ATOM 0 H GLY C 44 96.419 7.877 -24.404 1.00 0.00 H new ATOM 0 HA2 GLY C 44 97.348 6.047 -26.413 1.00 0.00 H new ATOM 0 HA3 GLY C 44 95.923 5.903 -25.403 1.00 0.00 H new ATOM 1277 N HIS C 45 94.833 8.007 -27.074 1.00 0.00 N ATOM 1278 CA HIS C 45 93.916 8.486 -28.106 1.00 0.00 C ATOM 1279 C HIS C 45 94.617 8.719 -29.446 1.00 0.00 C ATOM 1280 O HIS C 45 93.977 8.646 -30.495 1.00 0.00 O ATOM 1281 CB HIS C 45 93.234 9.775 -27.654 1.00 0.00 C ATOM 1282 CG HIS C 45 92.208 10.171 -28.681 1.00 0.00 C ATOM 1283 ND1 HIS C 45 92.535 10.923 -29.800 1.00 0.00 N ATOM 1284 CD2 HIS C 45 90.862 9.910 -28.786 1.00 0.00 C ATOM 1285 CE1 HIS C 45 91.412 11.087 -30.522 1.00 0.00 C ATOM 1286 NE2 HIS C 45 90.363 10.490 -29.950 1.00 0.00 N ATOM 0 H HIS C 45 94.827 8.563 -26.219 1.00 0.00 H new ATOM 0 HA HIS C 45 93.170 7.705 -28.254 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.759 9.630 -26.684 1.00 0.00 H new ATOM 0 HB3 HIS C 45 93.971 10.569 -27.532 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.281 9.342 -28.075 1.00 0.00 H new ATOM 0 HE1 HIS C 45 91.364 11.635 -31.451 1.00 0.00 H new ATOM 0 HE2 HIS C 45 89.402 10.464 -30.292 1.00 0.00 H new ATOM 1295 N LEU C 46 95.886 9.045 -29.425 1.00 0.00 N ATOM 1296 CA LEU C 46 96.591 9.335 -30.676 1.00 0.00 C ATOM 1297 C LEU C 46 96.260 8.298 -31.746 1.00 0.00 C ATOM 1298 O LEU C 46 96.226 8.630 -32.928 1.00 0.00 O ATOM 1299 CB LEU C 46 98.127 9.479 -30.462 1.00 0.00 C ATOM 1300 CG LEU C 46 98.904 8.129 -30.306 1.00 0.00 C ATOM 1301 CD1 LEU C 46 98.219 7.164 -29.322 1.00 0.00 C ATOM 1302 CD2 LEU C 46 99.116 7.422 -31.662 1.00 0.00 C ATOM 0 H LEU C 46 96.453 9.119 -28.581 1.00 0.00 H new ATOM 0 HA LEU C 46 96.236 10.302 -31.034 1.00 0.00 H new ATOM 0 HB2 LEU C 46 98.546 10.026 -31.306 1.00 0.00 H new ATOM 0 HB3 LEU C 46 98.299 10.085 -29.572 1.00 0.00 H new ATOM 0 HG LEU C 46 99.877 8.398 -29.896 1.00 0.00 H new ATOM 0 HD11 LEU C 46 98.799 6.244 -29.251 1.00 0.00 H new ATOM 0 HD12 LEU C 46 98.157 7.630 -28.339 1.00 0.00 H new ATOM 0 HD13 LEU C 46 97.215 6.933 -29.678 1.00 0.00 H new ATOM 0 HD21 LEU C 46 99.659 6.490 -31.505 1.00 0.00 H new ATOM 0 HD22 LEU C 46 98.148 7.206 -32.115 1.00 0.00 H new ATOM 0 HD23 LEU C 46 99.690 8.070 -32.324 1.00 0.00 H new ATOM 1314 N ASN C 47 95.992 7.078 -31.364 1.00 0.00 N ATOM 1315 CA ASN C 47 95.639 6.070 -32.370 1.00 0.00 C ATOM 1316 C ASN C 47 94.310 6.421 -33.060 1.00 0.00 C ATOM 1317 O ASN C 47 94.222 6.439 -34.286 1.00 0.00 O ATOM 1318 CB ASN C 47 95.516 4.691 -31.717 1.00 0.00 C ATOM 1319 CG ASN C 47 96.885 4.228 -31.251 1.00 0.00 C ATOM 1320 OD1 ASN C 47 97.100 4.027 -30.057 1.00 0.00 O ATOM 1321 ND2 ASN C 47 97.827 4.045 -32.132 1.00 0.00 N ATOM 0 H ASN C 47 96.006 6.749 -30.399 1.00 0.00 H new ATOM 0 HA ASN C 47 96.432 6.054 -33.118 1.00 0.00 H new ATOM 0 HB2 ASN C 47 94.829 4.737 -30.872 1.00 0.00 H new ATOM 0 HB3 ASN C 47 95.101 3.976 -32.427 1.00 0.00 H new ATOM 0 HD21 ASN C 47 98.751 3.733 -31.833 1.00 0.00 H new ATOM 0 HD22 ASN C 47 97.641 4.214 -33.120 1.00 0.00 H new ATOM 1328 N GLN C 48 93.295 6.671 -32.278 1.00 0.00 N ATOM 1329 CA GLN C 48 91.970 6.996 -32.812 1.00 0.00 C ATOM 1330 C GLN C 48 92.033 7.973 -33.991 1.00 0.00 C ATOM 1331 O GLN C 48 91.468 7.704 -35.052 1.00 0.00 O ATOM 1332 CB GLN C 48 91.115 7.607 -31.700 1.00 0.00 C ATOM 1333 CG GLN C 48 89.672 7.798 -32.183 1.00 0.00 C ATOM 1334 CD GLN C 48 89.028 6.443 -32.455 1.00 0.00 C ATOM 1335 OE1 GLN C 48 88.688 5.719 -31.521 1.00 0.00 O ATOM 1336 NE2 GLN C 48 88.847 6.055 -33.687 1.00 0.00 N ATOM 0 H GLN C 48 93.346 6.659 -31.259 1.00 0.00 H new ATOM 0 HA GLN C 48 91.530 6.069 -33.178 1.00 0.00 H new ATOM 0 HB2 GLN C 48 91.130 6.960 -30.823 1.00 0.00 H new ATOM 0 HB3 GLN C 48 91.534 8.566 -31.395 1.00 0.00 H new ATOM 0 HG2 GLN C 48 89.097 8.339 -31.431 1.00 0.00 H new ATOM 0 HG3 GLN C 48 89.661 8.404 -33.089 1.00 0.00 H new ATOM 0 HE21 GLN C 48 89.130 6.659 -34.459 1.00 0.00 H new ATOM 0 HE22 GLN C 48 88.422 5.148 -33.879 1.00 0.00 H new ATOM 1345 N ILE C 49 92.676 9.093 -33.801 1.00 0.00 N ATOM 1346 CA ILE C 49 92.755 10.098 -34.863 1.00 0.00 C ATOM 1347 C ILE C 49 93.415 9.527 -36.116 1.00 0.00 C ATOM 1348 O ILE C 49 93.126 9.968 -37.228 1.00 0.00 O ATOM 1349 CB ILE C 49 93.522 11.335 -34.377 1.00 0.00 C ATOM 1350 CG1 ILE C 49 93.718 12.311 -35.546 1.00 0.00 C ATOM 1351 CG2 ILE C 49 94.883 10.915 -33.816 1.00 0.00 C ATOM 1352 CD1 ILE C 49 94.188 13.666 -35.010 1.00 0.00 C ATOM 0 H ILE C 49 93.153 9.345 -32.935 1.00 0.00 H new ATOM 0 HA ILE C 49 91.737 10.393 -35.120 1.00 0.00 H new ATOM 0 HB ILE C 49 92.950 11.827 -33.590 1.00 0.00 H new ATOM 0 HG12 ILE C 49 94.451 11.912 -36.247 1.00 0.00 H new ATOM 0 HG13 ILE C 49 92.784 12.430 -36.095 1.00 0.00 H new ATOM 0 HG21 ILE C 49 95.423 11.797 -33.473 1.00 0.00 H new ATOM 0 HG22 ILE C 49 94.737 10.231 -32.980 1.00 0.00 H new ATOM 0 HG23 ILE C 49 95.460 10.417 -34.595 1.00 0.00 H new ATOM 0 HD11 ILE C 49 94.327 14.358 -35.841 1.00 0.00 H new ATOM 0 HD12 ILE C 49 93.440 14.066 -34.326 1.00 0.00 H new ATOM 0 HD13 ILE C 49 95.133 13.540 -34.481 1.00 0.00 H new ATOM 1364 N LYS C 50 94.278 8.566 -35.943 1.00 0.00 N ATOM 1365 CA LYS C 50 94.953 7.957 -37.085 1.00 0.00 C ATOM 1366 C LYS C 50 93.956 7.165 -37.927 1.00 0.00 C ATOM 1367 O LYS C 50 93.983 7.223 -39.156 1.00 0.00 O ATOM 1368 CB LYS C 50 96.078 7.030 -36.605 1.00 0.00 C ATOM 1369 CG LYS C 50 96.938 6.565 -37.798 1.00 0.00 C ATOM 1370 CD LYS C 50 98.029 7.597 -38.104 1.00 0.00 C ATOM 1371 CE LYS C 50 98.920 7.069 -39.230 1.00 0.00 C ATOM 1372 NZ LYS C 50 100.002 8.052 -39.514 1.00 0.00 N ATOM 0 H LYS C 50 94.538 8.181 -35.035 1.00 0.00 H new ATOM 0 HA LYS C 50 95.383 8.750 -37.696 1.00 0.00 H new ATOM 0 HB2 LYS C 50 96.703 7.551 -35.880 1.00 0.00 H new ATOM 0 HB3 LYS C 50 95.653 6.165 -36.096 1.00 0.00 H new ATOM 0 HG2 LYS C 50 97.394 5.601 -37.572 1.00 0.00 H new ATOM 0 HG3 LYS C 50 96.307 6.422 -38.675 1.00 0.00 H new ATOM 0 HD2 LYS C 50 97.578 8.545 -38.396 1.00 0.00 H new ATOM 0 HD3 LYS C 50 98.625 7.789 -37.212 1.00 0.00 H new ATOM 0 HE2 LYS C 50 99.352 6.109 -38.946 1.00 0.00 H new ATOM 0 HE3 LYS C 50 98.326 6.898 -40.128 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 99.903 8.406 -40.487 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 99.933 8.847 -38.847 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 100.928 7.590 -39.407 1.00 0.00 H new ATOM 1386 N ARG C 51 93.096 6.436 -37.269 1.00 0.00 N ATOM 1387 CA ARG C 51 92.099 5.634 -37.969 1.00 0.00 C ATOM 1388 C ARG C 51 91.216 6.520 -38.840 1.00 0.00 C ATOM 1389 O ARG C 51 90.719 7.552 -38.390 1.00 0.00 O ATOM 1390 CB ARG C 51 91.232 4.871 -36.955 1.00 0.00 C ATOM 1391 CG ARG C 51 90.256 3.909 -37.683 1.00 0.00 C ATOM 1392 CD ARG C 51 88.852 4.525 -37.769 1.00 0.00 C ATOM 1393 NE ARG C 51 88.301 4.713 -36.432 1.00 0.00 N ATOM 1394 CZ ARG C 51 87.064 5.088 -36.257 1.00 0.00 C ATOM 1395 NH1 ARG C 51 86.292 5.294 -37.290 1.00 0.00 N ATOM 1396 NH2 ARG C 51 86.596 5.256 -35.051 1.00 0.00 N ATOM 0 H ARG C 51 93.056 6.373 -36.252 1.00 0.00 H new ATOM 0 HA ARG C 51 92.617 4.919 -38.609 1.00 0.00 H new ATOM 0 HB2 ARG C 51 91.870 4.305 -36.276 1.00 0.00 H new ATOM 0 HB3 ARG C 51 90.668 5.578 -36.347 1.00 0.00 H new ATOM 0 HG2 ARG C 51 90.627 3.696 -38.685 1.00 0.00 H new ATOM 0 HG3 ARG C 51 90.210 2.959 -37.151 1.00 0.00 H new ATOM 0 HD2 ARG C 51 88.898 5.482 -38.289 1.00 0.00 H new ATOM 0 HD3 ARG C 51 88.198 3.877 -38.352 1.00 0.00 H new ATOM 0 HE ARG C 51 88.894 4.548 -35.619 1.00 0.00 H new ATOM 0 HH11 ARG C 51 86.656 5.162 -38.233 1.00 0.00 H new ATOM 0 HH12 ARG C 51 85.325 5.587 -37.153 1.00 0.00 H new ATOM 0 HH21 ARG C 51 87.198 5.094 -34.243 1.00 0.00 H new ATOM 0 HH22 ARG C 51 85.628 5.549 -34.916 1.00 0.00 H new ATOM 1410 N GLY C 52 91.028 6.116 -40.066 1.00 0.00 N ATOM 1411 CA GLY C 52 90.202 6.879 -40.993 1.00 0.00 C ATOM 1412 C GLY C 52 90.909 8.157 -41.428 1.00 0.00 C ATOM 0 H GLY C 52 91.431 5.264 -40.457 1.00 0.00 H new ATOM 0 HA2 GLY C 52 89.973 6.270 -41.867 1.00 0.00 H new ATOM 0 HA3 GLY C 52 89.252 7.127 -40.520 1.00 0.00 H new TER 1416 GLY C 52 ATOM 1417 N SER D 23 85.545 -3.847 11.425 1.00 0.00 N ATOM 1418 CA SER D 23 85.533 -3.186 10.089 1.00 0.00 C ATOM 1419 C SER D 23 86.659 -3.756 9.233 1.00 0.00 C ATOM 1420 O SER D 23 87.828 -3.703 9.613 1.00 0.00 O ATOM 1421 CB SER D 23 85.723 -1.680 10.267 1.00 0.00 C ATOM 1422 OG SER D 23 85.564 -1.033 9.011 1.00 0.00 O ATOM 0 HA SER D 23 84.579 -3.370 9.595 1.00 0.00 H new ATOM 0 HB2 SER D 23 84.998 -1.293 10.983 1.00 0.00 H new ATOM 0 HB3 SER D 23 86.713 -1.473 10.673 1.00 0.00 H new ATOM 0 HG SER D 23 85.684 -0.067 9.123 1.00 0.00 H new ATOM 1427 N ASP D 24 86.302 -4.296 8.099 1.00 0.00 N ATOM 1428 CA ASP D 24 87.280 -4.883 7.191 1.00 0.00 C ATOM 1429 C ASP D 24 87.914 -3.791 6.319 1.00 0.00 C ATOM 1430 O ASP D 24 87.194 -3.140 5.570 1.00 0.00 O ATOM 1431 CB ASP D 24 86.578 -5.898 6.286 1.00 0.00 C ATOM 1432 CG ASP D 24 87.604 -6.639 5.438 1.00 0.00 C ATOM 1433 OD1 ASP D 24 88.339 -5.979 4.723 1.00 0.00 O ATOM 1434 OD2 ASP D 24 87.640 -7.856 5.517 1.00 0.00 O ATOM 0 H ASP D 24 85.338 -4.347 7.771 1.00 0.00 H new ATOM 0 HA ASP D 24 88.059 -5.373 7.775 1.00 0.00 H new ATOM 0 HB2 ASP D 24 86.014 -6.608 6.891 1.00 0.00 H new ATOM 0 HB3 ASP D 24 85.862 -5.388 5.642 1.00 0.00 H new ATOM 1439 N PRO D 25 89.220 -3.573 6.390 1.00 0.00 N ATOM 1440 CA PRO D 25 89.916 -2.529 5.560 1.00 0.00 C ATOM 1441 C PRO D 25 89.453 -2.512 4.100 1.00 0.00 C ATOM 1442 O PRO D 25 90.178 -2.933 3.200 1.00 0.00 O ATOM 1443 CB PRO D 25 91.392 -2.925 5.667 1.00 0.00 C ATOM 1444 CG PRO D 25 91.517 -3.564 7.009 1.00 0.00 C ATOM 1445 CD PRO D 25 90.184 -4.275 7.268 1.00 0.00 C ATOM 0 HA PRO D 25 89.703 -1.521 5.915 1.00 0.00 H new ATOM 0 HB2 PRO D 25 91.675 -3.615 4.872 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.043 -2.055 5.581 1.00 0.00 H new ATOM 0 HG2 PRO D 25 92.346 -4.271 7.028 1.00 0.00 H new ATOM 0 HG3 PRO D 25 91.717 -2.818 7.778 1.00 0.00 H new ATOM 0 HD2 PRO D 25 90.245 -5.336 7.025 1.00 0.00 H new ATOM 0 HD3 PRO D 25 89.892 -4.205 8.316 1.00 0.00 H new ATOM 1453 N LEU D 26 88.264 -2.037 3.885 1.00 0.00 N ATOM 1454 CA LEU D 26 87.705 -1.969 2.541 1.00 0.00 C ATOM 1455 C LEU D 26 88.502 -0.986 1.682 1.00 0.00 C ATOM 1456 O LEU D 26 88.776 -1.245 0.511 1.00 0.00 O ATOM 1457 CB LEU D 26 86.238 -1.523 2.628 1.00 0.00 C ATOM 1458 CG LEU D 26 85.459 -1.959 1.376 1.00 0.00 C ATOM 1459 CD1 LEU D 26 85.287 -3.493 1.342 1.00 0.00 C ATOM 1460 CD2 LEU D 26 84.083 -1.283 1.404 1.00 0.00 C ATOM 0 H LEU D 26 87.648 -1.685 4.618 1.00 0.00 H new ATOM 0 HA LEU D 26 87.761 -2.954 2.077 1.00 0.00 H new ATOM 0 HB2 LEU D 26 85.775 -1.951 3.517 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.188 -0.439 2.733 1.00 0.00 H new ATOM 0 HG LEU D 26 86.012 -1.663 0.484 1.00 0.00 H new ATOM 0 HD11 LEU D 26 84.733 -3.777 0.447 1.00 0.00 H new ATOM 0 HD12 LEU D 26 86.268 -3.969 1.328 1.00 0.00 H new ATOM 0 HD13 LEU D 26 84.739 -3.817 2.227 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.514 -1.580 0.523 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.546 -1.588 2.302 1.00 0.00 H new ATOM 0 HD23 LEU D 26 84.209 -0.200 1.407 1.00 0.00 H new ATOM 1472 N VAL D 27 88.842 0.129 2.268 1.00 0.00 N ATOM 1473 CA VAL D 27 89.583 1.176 1.569 1.00 0.00 C ATOM 1474 C VAL D 27 90.933 0.688 1.028 1.00 0.00 C ATOM 1475 O VAL D 27 91.249 0.931 -0.137 1.00 0.00 O ATOM 1476 CB VAL D 27 89.812 2.360 2.525 1.00 0.00 C ATOM 1477 CG1 VAL D 27 90.789 3.370 1.905 1.00 0.00 C ATOM 1478 CG2 VAL D 27 88.478 3.059 2.795 1.00 0.00 C ATOM 0 H VAL D 27 88.621 0.350 3.239 1.00 0.00 H new ATOM 0 HA VAL D 27 88.984 1.481 0.711 1.00 0.00 H new ATOM 0 HB VAL D 27 90.234 1.981 3.456 1.00 0.00 H new ATOM 0 HG11 VAL D 27 90.940 4.201 2.594 1.00 0.00 H new ATOM 0 HG12 VAL D 27 91.744 2.881 1.712 1.00 0.00 H new ATOM 0 HG13 VAL D 27 90.378 3.746 0.968 1.00 0.00 H new ATOM 0 HG21 VAL D 27 88.637 3.898 3.472 1.00 0.00 H new ATOM 0 HG22 VAL D 27 88.062 3.424 1.856 1.00 0.00 H new ATOM 0 HG23 VAL D 27 87.783 2.353 3.250 1.00 0.00 H new ATOM 1488 N VAL D 28 91.727 0.038 1.840 1.00 0.00 N ATOM 1489 CA VAL D 28 93.042 -0.439 1.400 1.00 0.00 C ATOM 1490 C VAL D 28 92.939 -1.632 0.448 1.00 0.00 C ATOM 1491 O VAL D 28 93.840 -1.878 -0.355 1.00 0.00 O ATOM 1492 CB VAL D 28 93.896 -0.812 2.626 1.00 0.00 C ATOM 1493 CG1 VAL D 28 93.489 -2.191 3.157 1.00 0.00 C ATOM 1494 CG2 VAL D 28 95.379 -0.833 2.237 1.00 0.00 C ATOM 0 H VAL D 28 91.500 -0.180 2.810 1.00 0.00 H new ATOM 0 HA VAL D 28 93.518 0.372 0.849 1.00 0.00 H new ATOM 0 HB VAL D 28 93.733 -0.068 3.406 1.00 0.00 H new ATOM 0 HG11 VAL D 28 94.101 -2.442 4.024 1.00 0.00 H new ATOM 0 HG12 VAL D 28 92.438 -2.174 3.447 1.00 0.00 H new ATOM 0 HG13 VAL D 28 93.638 -2.939 2.378 1.00 0.00 H new ATOM 0 HG21 VAL D 28 95.980 -1.097 3.107 1.00 0.00 H new ATOM 0 HG22 VAL D 28 95.538 -1.569 1.449 1.00 0.00 H new ATOM 0 HG23 VAL D 28 95.675 0.153 1.878 1.00 0.00 H new ATOM 1504 N ALA D 29 91.869 -2.364 0.564 1.00 0.00 N ATOM 1505 CA ALA D 29 91.666 -3.546 -0.267 1.00 0.00 C ATOM 1506 C ALA D 29 91.463 -3.179 -1.735 1.00 0.00 C ATOM 1507 O ALA D 29 91.955 -3.872 -2.625 1.00 0.00 O ATOM 1508 CB ALA D 29 90.453 -4.332 0.240 1.00 0.00 C ATOM 0 H ALA D 29 91.114 -2.174 1.223 1.00 0.00 H new ATOM 0 HA ALA D 29 92.564 -4.160 -0.197 1.00 0.00 H new ATOM 0 HB1 ALA D 29 90.305 -5.214 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA D 29 90.625 -4.641 1.271 1.00 0.00 H new ATOM 0 HB3 ALA D 29 89.565 -3.701 0.193 1.00 0.00 H new ATOM 1514 N ALA D 30 90.748 -2.116 -1.989 1.00 0.00 N ATOM 1515 CA ALA D 30 90.514 -1.723 -3.366 1.00 0.00 C ATOM 1516 C ALA D 30 91.794 -1.166 -3.990 1.00 0.00 C ATOM 1517 O ALA D 30 92.224 -1.609 -5.055 1.00 0.00 O ATOM 1518 CB ALA D 30 89.413 -0.684 -3.395 1.00 0.00 C ATOM 0 H ALA D 30 90.323 -1.514 -1.284 1.00 0.00 H new ATOM 0 HA ALA D 30 90.211 -2.593 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.227 -0.380 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA D 30 88.502 -1.107 -2.971 1.00 0.00 H new ATOM 0 HB3 ALA D 30 89.716 0.184 -2.809 1.00 0.00 H new ATOM 1524 N SER D 31 92.374 -0.199 -3.336 1.00 0.00 N ATOM 1525 CA SER D 31 93.568 0.446 -3.787 1.00 0.00 C ATOM 1526 C SER D 31 94.689 -0.528 -4.155 1.00 0.00 C ATOM 1527 O SER D 31 95.522 -0.226 -5.008 1.00 0.00 O ATOM 1528 CB SER D 31 94.002 1.324 -2.642 1.00 0.00 C ATOM 1529 OG SER D 31 92.873 2.022 -2.136 1.00 0.00 O ATOM 0 H SER D 31 92.018 0.169 -2.454 1.00 0.00 H new ATOM 0 HA SER D 31 93.364 1.000 -4.703 1.00 0.00 H new ATOM 0 HB2 SER D 31 94.454 0.720 -1.855 1.00 0.00 H new ATOM 0 HB3 SER D 31 94.761 2.030 -2.977 1.00 0.00 H new ATOM 0 HG SER D 31 92.529 1.558 -1.344 1.00 0.00 H new ATOM 1535 N ILE D 32 94.719 -1.659 -3.517 1.00 0.00 N ATOM 1536 CA ILE D 32 95.769 -2.633 -3.798 1.00 0.00 C ATOM 1537 C ILE D 32 95.830 -2.921 -5.301 1.00 0.00 C ATOM 1538 O ILE D 32 96.898 -3.170 -5.852 1.00 0.00 O ATOM 1539 CB ILE D 32 95.534 -3.925 -2.973 1.00 0.00 C ATOM 1540 CG1 ILE D 32 96.880 -4.567 -2.583 1.00 0.00 C ATOM 1541 CG2 ILE D 32 94.696 -4.942 -3.762 1.00 0.00 C ATOM 1542 CD1 ILE D 32 97.747 -4.800 -3.825 1.00 0.00 C ATOM 0 H ILE D 32 94.046 -1.942 -2.805 1.00 0.00 H new ATOM 0 HA ILE D 32 96.734 -2.222 -3.500 1.00 0.00 H new ATOM 0 HB ILE D 32 94.989 -3.646 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE D 32 97.407 -3.921 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE D 32 96.703 -5.514 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE D 32 94.548 -5.837 -3.158 1.00 0.00 H new ATOM 0 HG22 ILE D 32 93.728 -4.504 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE D 32 95.217 -5.207 -4.682 1.00 0.00 H new ATOM 0 HD11 ILE D 32 98.693 -5.254 -3.529 1.00 0.00 H new ATOM 0 HD12 ILE D 32 97.225 -5.465 -4.513 1.00 0.00 H new ATOM 0 HD13 ILE D 32 97.940 -3.847 -4.318 1.00 0.00 H new ATOM 1554 N ILE D 33 94.704 -2.878 -5.952 1.00 0.00 N ATOM 1555 CA ILE D 33 94.670 -3.134 -7.385 1.00 0.00 C ATOM 1556 C ILE D 33 95.329 -1.992 -8.160 1.00 0.00 C ATOM 1557 O ILE D 33 95.943 -2.222 -9.198 1.00 0.00 O ATOM 1558 CB ILE D 33 93.227 -3.337 -7.860 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.544 -4.374 -6.958 1.00 0.00 C ATOM 1560 CG2 ILE D 33 93.231 -3.847 -9.308 1.00 0.00 C ATOM 1561 CD1 ILE D 33 91.177 -4.752 -7.535 1.00 0.00 C ATOM 0 H ILE D 33 93.799 -2.671 -5.530 1.00 0.00 H new ATOM 0 HA ILE D 33 95.233 -4.047 -7.579 1.00 0.00 H new ATOM 0 HB ILE D 33 92.688 -2.391 -7.811 1.00 0.00 H new ATOM 0 HG12 ILE D 33 93.170 -5.262 -6.873 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.424 -3.971 -5.952 1.00 0.00 H new ATOM 0 HG21 ILE D 33 92.205 -3.991 -9.646 1.00 0.00 H new ATOM 0 HG22 ILE D 33 93.725 -3.117 -9.949 1.00 0.00 H new ATOM 0 HG23 ILE D 33 93.766 -4.795 -9.358 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.700 -5.488 -6.888 1.00 0.00 H new ATOM 0 HD12 ILE D 33 90.550 -3.863 -7.597 1.00 0.00 H new ATOM 0 HD13 ILE D 33 91.307 -5.174 -8.531 1.00 0.00 H new ATOM 1573 N GLY D 34 95.152 -0.777 -7.712 1.00 0.00 N ATOM 1574 CA GLY D 34 95.681 0.379 -8.435 1.00 0.00 C ATOM 1575 C GLY D 34 97.125 0.205 -8.911 1.00 0.00 C ATOM 1576 O GLY D 34 97.415 0.488 -10.074 1.00 0.00 O ATOM 0 H GLY D 34 94.649 -0.549 -6.854 1.00 0.00 H new ATOM 0 HA2 GLY D 34 95.046 0.577 -9.298 1.00 0.00 H new ATOM 0 HA3 GLY D 34 95.625 1.256 -7.790 1.00 0.00 H new ATOM 1580 N ILE D 35 98.022 -0.231 -8.069 1.00 0.00 N ATOM 1581 CA ILE D 35 99.405 -0.388 -8.524 1.00 0.00 C ATOM 1582 C ILE D 35 99.453 -1.239 -9.792 1.00 0.00 C ATOM 1583 O ILE D 35 100.285 -1.013 -10.670 1.00 0.00 O ATOM 1584 CB ILE D 35 100.285 -1.013 -7.440 1.00 0.00 C ATOM 1585 CG1 ILE D 35 99.589 -2.242 -6.848 1.00 0.00 C ATOM 1586 CG2 ILE D 35 100.542 0.017 -6.336 1.00 0.00 C ATOM 1587 CD1 ILE D 35 100.616 -3.111 -6.119 1.00 0.00 C ATOM 0 H ILE D 35 97.846 -0.480 -7.096 1.00 0.00 H new ATOM 0 HA ILE D 35 99.796 0.606 -8.743 1.00 0.00 H new ATOM 0 HB ILE D 35 101.234 -1.320 -7.879 1.00 0.00 H new ATOM 0 HG12 ILE D 35 98.805 -1.931 -6.158 1.00 0.00 H new ATOM 0 HG13 ILE D 35 99.108 -2.816 -7.639 1.00 0.00 H new ATOM 0 HG21 ILE D 35 101.169 -0.427 -5.563 1.00 0.00 H new ATOM 0 HG22 ILE D 35 101.048 0.885 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE D 35 99.593 0.327 -5.899 1.00 0.00 H new ATOM 0 HD11 ILE D 35 100.120 -3.985 -5.698 1.00 0.00 H new ATOM 0 HD12 ILE D 35 101.384 -3.433 -6.822 1.00 0.00 H new ATOM 0 HD13 ILE D 35 101.077 -2.534 -5.317 1.00 0.00 H new ATOM 1599 N LEU D 36 98.561 -2.190 -9.886 1.00 0.00 N ATOM 1600 CA LEU D 36 98.502 -3.052 -11.065 1.00 0.00 C ATOM 1601 C LEU D 36 98.035 -2.241 -12.271 1.00 0.00 C ATOM 1602 O LEU D 36 98.397 -2.530 -13.411 1.00 0.00 O ATOM 1603 CB LEU D 36 97.525 -4.214 -10.818 1.00 0.00 C ATOM 1604 CG LEU D 36 97.617 -5.251 -11.958 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.787 -6.213 -11.711 1.00 0.00 C ATOM 1606 CD2 LEU D 36 96.312 -6.058 -12.031 1.00 0.00 C ATOM 0 H LEU D 36 97.863 -2.396 -9.171 1.00 0.00 H new ATOM 0 HA LEU D 36 99.496 -3.455 -11.260 1.00 0.00 H new ATOM 0 HB2 LEU D 36 97.753 -4.692 -9.865 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.507 -3.832 -10.748 1.00 0.00 H new ATOM 0 HG LEU D 36 97.779 -4.721 -12.897 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.839 -6.938 -12.523 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.719 -5.649 -11.668 1.00 0.00 H new ATOM 0 HD13 LEU D 36 98.635 -6.736 -10.767 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.381 -6.789 -12.837 1.00 0.00 H new ATOM 0 HD22 LEU D 36 96.150 -6.575 -11.085 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.477 -5.384 -12.223 1.00 0.00 H new ATOM 1618 N HIS D 37 97.230 -1.249 -12.005 1.00 0.00 N ATOM 1619 CA HIS D 37 96.690 -0.394 -13.055 1.00 0.00 C ATOM 1620 C HIS D 37 97.793 0.420 -13.731 1.00 0.00 C ATOM 1621 O HIS D 37 97.876 0.469 -14.959 1.00 0.00 O ATOM 1622 CB HIS D 37 95.649 0.551 -12.437 1.00 0.00 C ATOM 1623 CG HIS D 37 94.685 1.036 -13.487 1.00 0.00 C ATOM 1624 ND1 HIS D 37 95.104 1.679 -14.642 1.00 0.00 N ATOM 1625 CD2 HIS D 37 93.316 0.985 -13.562 1.00 0.00 C ATOM 1626 CE1 HIS D 37 94.003 1.987 -15.354 1.00 0.00 C ATOM 1627 NE2 HIS D 37 92.887 1.586 -14.740 1.00 0.00 N ATOM 0 H HIS D 37 96.924 -1.002 -11.064 1.00 0.00 H new ATOM 0 HA HIS D 37 96.227 -1.022 -13.816 1.00 0.00 H new ATOM 0 HB2 HIS D 37 95.105 0.034 -11.647 1.00 0.00 H new ATOM 0 HB3 HIS D 37 96.151 1.401 -11.975 1.00 0.00 H new ATOM 0 HD2 HIS D 37 92.669 0.544 -12.818 1.00 0.00 H new ATOM 0 HE1 HIS D 37 94.021 2.497 -16.306 1.00 0.00 H new ATOM 0 HE2 HIS D 37 91.927 1.697 -15.065 1.00 0.00 H new ATOM 1636 N PHE D 38 98.609 1.060 -12.940 1.00 0.00 N ATOM 1637 CA PHE D 38 99.686 1.887 -13.476 1.00 0.00 C ATOM 1638 C PHE D 38 100.763 1.047 -14.164 1.00 0.00 C ATOM 1639 O PHE D 38 101.254 1.419 -15.228 1.00 0.00 O ATOM 1640 CB PHE D 38 100.322 2.716 -12.359 1.00 0.00 C ATOM 1641 CG PHE D 38 101.250 3.741 -12.966 1.00 0.00 C ATOM 1642 CD1 PHE D 38 100.758 4.996 -13.348 1.00 0.00 C ATOM 1643 CD2 PHE D 38 102.604 3.433 -13.154 1.00 0.00 C ATOM 1644 CE1 PHE D 38 101.620 5.943 -13.915 1.00 0.00 C ATOM 1645 CE2 PHE D 38 103.464 4.380 -13.723 1.00 0.00 C ATOM 1646 CZ PHE D 38 102.972 5.633 -14.104 1.00 0.00 C ATOM 0 H PHE D 38 98.560 1.033 -11.922 1.00 0.00 H new ATOM 0 HA PHE D 38 99.245 2.548 -14.222 1.00 0.00 H new ATOM 0 HB2 PHE D 38 99.548 3.211 -11.772 1.00 0.00 H new ATOM 0 HB3 PHE D 38 100.873 2.068 -11.678 1.00 0.00 H new ATOM 0 HD1 PHE D 38 99.714 5.233 -13.205 1.00 0.00 H new ATOM 0 HD2 PHE D 38 102.984 2.466 -12.860 1.00 0.00 H new ATOM 0 HE1 PHE D 38 101.242 6.912 -14.206 1.00 0.00 H new ATOM 0 HE2 PHE D 38 104.508 4.143 -13.868 1.00 0.00 H new ATOM 0 HZ PHE D 38 103.636 6.362 -14.544 1.00 0.00 H new ATOM 1656 N ILE D 39 101.146 -0.046 -13.562 1.00 0.00 N ATOM 1657 CA ILE D 39 102.191 -0.892 -14.135 1.00 0.00 C ATOM 1658 C ILE D 39 101.789 -1.439 -15.505 1.00 0.00 C ATOM 1659 O ILE D 39 102.591 -1.446 -16.437 1.00 0.00 O ATOM 1660 CB ILE D 39 102.479 -2.060 -13.186 1.00 0.00 C ATOM 1661 CG1 ILE D 39 103.064 -1.521 -11.878 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.483 -3.020 -13.831 1.00 0.00 C ATOM 1663 CD1 ILE D 39 103.015 -2.613 -10.806 1.00 0.00 C ATOM 0 H ILE D 39 100.761 -0.382 -12.679 1.00 0.00 H new ATOM 0 HA ILE D 39 103.084 -0.280 -14.265 1.00 0.00 H new ATOM 0 HB ILE D 39 101.550 -2.593 -12.983 1.00 0.00 H new ATOM 0 HG12 ILE D 39 104.093 -1.196 -12.034 1.00 0.00 H new ATOM 0 HG13 ILE D 39 102.501 -0.648 -11.548 1.00 0.00 H new ATOM 0 HG21 ILE D 39 103.683 -3.848 -13.151 1.00 0.00 H new ATOM 0 HG22 ILE D 39 103.070 -3.407 -14.762 1.00 0.00 H new ATOM 0 HG23 ILE D 39 104.412 -2.489 -14.039 1.00 0.00 H new ATOM 0 HD11 ILE D 39 103.432 -2.228 -9.875 1.00 0.00 H new ATOM 0 HD12 ILE D 39 101.981 -2.916 -10.643 1.00 0.00 H new ATOM 0 HD13 ILE D 39 103.597 -3.473 -11.136 1.00 0.00 H new ATOM 1675 N ALA D 40 100.571 -1.893 -15.618 1.00 0.00 N ATOM 1676 CA ALA D 40 100.084 -2.442 -16.877 1.00 0.00 C ATOM 1677 C ALA D 40 99.905 -1.340 -17.912 1.00 0.00 C ATOM 1678 O ALA D 40 99.971 -1.581 -19.109 1.00 0.00 O ATOM 1679 CB ALA D 40 98.755 -3.163 -16.651 1.00 0.00 C ATOM 0 H ALA D 40 99.889 -1.899 -14.860 1.00 0.00 H new ATOM 0 HA ALA D 40 100.821 -3.152 -17.252 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.397 -3.571 -17.596 1.00 0.00 H new ATOM 0 HB2 ALA D 40 98.898 -3.974 -15.937 1.00 0.00 H new ATOM 0 HB3 ALA D 40 98.021 -2.459 -16.258 1.00 0.00 H new ATOM 1685 N TRP D 41 99.637 -0.163 -17.452 1.00 0.00 N ATOM 1686 CA TRP D 41 99.414 0.966 -18.343 1.00 0.00 C ATOM 1687 C TRP D 41 100.633 1.248 -19.220 1.00 0.00 C ATOM 1688 O TRP D 41 100.503 1.521 -20.414 1.00 0.00 O ATOM 1689 CB TRP D 41 99.107 2.193 -17.489 1.00 0.00 C ATOM 1690 CG TRP D 41 98.741 3.358 -18.351 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.561 3.976 -19.240 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.478 4.074 -18.396 1.00 0.00 C ATOM 1693 NE1 TRP D 41 98.864 5.000 -19.846 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.580 5.102 -19.356 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.261 3.926 -17.709 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.517 5.952 -19.626 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.185 4.790 -17.974 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.315 5.801 -18.936 1.00 0.00 C ATOM 0 H TRP D 41 99.563 0.060 -16.459 1.00 0.00 H new ATOM 0 HA TRP D 41 98.582 0.730 -19.006 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.289 1.970 -16.804 1.00 0.00 H new ATOM 0 HB3 TRP D 41 99.975 2.444 -16.879 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.588 3.710 -19.439 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.251 5.607 -20.568 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.152 3.143 -16.973 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.621 6.729 -20.369 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.256 4.675 -17.435 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.486 6.462 -19.142 1.00 0.00 H new ATOM 1709 N THR D 42 101.786 1.241 -18.616 1.00 0.00 N ATOM 1710 CA THR D 42 103.029 1.561 -19.318 1.00 0.00 C ATOM 1711 C THR D 42 103.189 0.805 -20.642 1.00 0.00 C ATOM 1712 O THR D 42 103.583 1.406 -21.643 1.00 0.00 O ATOM 1713 CB THR D 42 104.227 1.264 -18.412 1.00 0.00 C ATOM 1714 OG1 THR D 42 104.138 -0.069 -17.933 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.227 2.237 -17.229 1.00 0.00 C ATOM 0 H THR D 42 101.908 1.017 -17.628 1.00 0.00 H new ATOM 0 HA THR D 42 102.985 2.623 -19.562 1.00 0.00 H new ATOM 0 HB THR D 42 105.151 1.384 -18.978 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.437 -0.125 -17.250 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.080 2.026 -16.584 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.297 3.260 -17.599 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.304 2.119 -16.661 1.00 0.00 H new ATOM 1723 N ILE D 43 102.915 -0.474 -20.668 1.00 0.00 N ATOM 1724 CA ILE D 43 103.077 -1.223 -21.918 1.00 0.00 C ATOM 1725 C ILE D 43 102.195 -0.634 -23.024 1.00 0.00 C ATOM 1726 O ILE D 43 102.537 -0.723 -24.203 1.00 0.00 O ATOM 1727 CB ILE D 43 102.765 -2.722 -21.731 1.00 0.00 C ATOM 1728 CG1 ILE D 43 101.485 -2.896 -20.909 1.00 0.00 C ATOM 1729 CG2 ILE D 43 103.931 -3.409 -21.010 1.00 0.00 C ATOM 1730 CD1 ILE D 43 100.895 -4.291 -21.145 1.00 0.00 C ATOM 0 H ILE D 43 102.587 -1.019 -19.871 1.00 0.00 H new ATOM 0 HA ILE D 43 104.122 -1.133 -22.214 1.00 0.00 H new ATOM 0 HB ILE D 43 102.625 -3.176 -22.712 1.00 0.00 H new ATOM 0 HG12 ILE D 43 101.702 -2.759 -19.850 1.00 0.00 H new ATOM 0 HG13 ILE D 43 100.758 -2.133 -21.187 1.00 0.00 H new ATOM 0 HG21 ILE D 43 103.706 -4.468 -20.880 1.00 0.00 H new ATOM 0 HG22 ILE D 43 104.839 -3.301 -21.603 1.00 0.00 H new ATOM 0 HG23 ILE D 43 104.078 -2.947 -20.034 1.00 0.00 H new ATOM 0 HD11 ILE D 43 99.985 -4.406 -20.556 1.00 0.00 H new ATOM 0 HD12 ILE D 43 100.661 -4.413 -22.203 1.00 0.00 H new ATOM 0 HD13 ILE D 43 101.619 -5.048 -20.844 1.00 0.00 H new ATOM 1742 N GLY D 44 101.087 -0.044 -22.654 1.00 0.00 N ATOM 1743 CA GLY D 44 100.177 0.540 -23.647 1.00 0.00 C ATOM 1744 C GLY D 44 100.940 1.427 -24.631 1.00 0.00 C ATOM 1745 O GLY D 44 100.761 1.319 -25.844 1.00 0.00 O ATOM 0 H GLY D 44 100.782 0.052 -21.686 1.00 0.00 H new ATOM 0 HA2 GLY D 44 99.665 -0.255 -24.189 1.00 0.00 H new ATOM 0 HA3 GLY D 44 99.409 1.127 -23.142 1.00 0.00 H new ATOM 1749 N HIS D 45 101.721 2.330 -24.111 1.00 0.00 N ATOM 1750 CA HIS D 45 102.455 3.290 -24.927 1.00 0.00 C ATOM 1751 C HIS D 45 103.037 2.658 -26.195 1.00 0.00 C ATOM 1752 O HIS D 45 103.288 3.358 -27.175 1.00 0.00 O ATOM 1753 CB HIS D 45 103.577 3.906 -24.094 1.00 0.00 C ATOM 1754 CG HIS D 45 104.285 4.960 -24.900 1.00 0.00 C ATOM 1755 ND1 HIS D 45 104.312 6.329 -24.795 1.00 0.00 N flip ATOM 1756 CD2 HIS D 45 105.088 4.649 -25.986 1.00 0.00 C flip ATOM 1757 CE1 HIS D 45 105.117 6.861 -25.797 1.00 0.00 C flip ATOM 1758 NE2 HIS D 45 105.559 5.806 -26.486 1.00 0.00 N flip ATOM 0 H HIS D 45 101.876 2.432 -23.108 1.00 0.00 H new ATOM 0 HA HIS D 45 101.751 4.059 -25.246 1.00 0.00 H new ATOM 0 HB2 HIS D 45 103.169 4.344 -23.183 1.00 0.00 H new ATOM 0 HB3 HIS D 45 104.282 3.133 -23.788 1.00 0.00 H new ATOM 0 HD2 HIS D 45 105.297 3.659 -26.362 1.00 0.00 H new ATOM 0 HE1 HIS D 45 105.337 7.903 -25.979 1.00 0.00 H new ATOM 0 HE2 HIS D 45 106.179 5.870 -27.294 1.00 0.00 H new ATOM 1767 N LEU D 46 103.211 1.367 -26.196 1.00 0.00 N ATOM 1768 CA LEU D 46 103.721 0.699 -27.400 1.00 0.00 C ATOM 1769 C LEU D 46 102.910 1.194 -28.616 1.00 0.00 C ATOM 1770 O LEU D 46 103.423 1.338 -29.726 1.00 0.00 O ATOM 1771 CB LEU D 46 103.634 -0.842 -27.238 1.00 0.00 C ATOM 1772 CG LEU D 46 102.193 -1.386 -27.478 1.00 0.00 C ATOM 1773 CD1 LEU D 46 102.015 -1.816 -28.950 1.00 0.00 C ATOM 1774 CD2 LEU D 46 101.926 -2.604 -26.565 1.00 0.00 C ATOM 0 H LEU D 46 103.018 0.752 -25.406 1.00 0.00 H new ATOM 0 HA LEU D 46 104.772 0.945 -27.554 1.00 0.00 H new ATOM 0 HB2 LEU D 46 104.320 -1.317 -27.939 1.00 0.00 H new ATOM 0 HB3 LEU D 46 103.961 -1.118 -26.235 1.00 0.00 H new ATOM 0 HG LEU D 46 101.486 -0.589 -27.246 1.00 0.00 H new ATOM 0 HD11 LEU D 46 101.003 -2.193 -29.099 1.00 0.00 H new ATOM 0 HD12 LEU D 46 102.183 -0.959 -29.602 1.00 0.00 H new ATOM 0 HD13 LEU D 46 102.733 -2.600 -29.189 1.00 0.00 H new ATOM 0 HD21 LEU D 46 100.917 -2.976 -26.741 1.00 0.00 H new ATOM 0 HD22 LEU D 46 102.647 -3.391 -26.788 1.00 0.00 H new ATOM 0 HD23 LEU D 46 102.026 -2.305 -25.521 1.00 0.00 H new ATOM 1786 N ASN D 47 101.645 1.360 -28.370 1.00 0.00 N ATOM 1787 CA ASN D 47 100.681 1.744 -29.404 1.00 0.00 C ATOM 1788 C ASN D 47 101.190 2.903 -30.283 1.00 0.00 C ATOM 1789 O ASN D 47 100.948 2.905 -31.490 1.00 0.00 O ATOM 1790 CB ASN D 47 99.354 2.160 -28.771 1.00 0.00 C ATOM 1791 CG ASN D 47 98.815 1.054 -27.874 1.00 0.00 C ATOM 1792 OD1 ASN D 47 99.031 -0.129 -28.142 1.00 0.00 O ATOM 1793 ND2 ASN D 47 98.109 1.369 -26.823 1.00 0.00 N ATOM 0 H ASN D 47 101.232 1.236 -27.446 1.00 0.00 H new ATOM 0 HA ASN D 47 100.543 0.867 -30.037 1.00 0.00 H new ATOM 0 HB2 ASN D 47 99.493 3.071 -28.189 1.00 0.00 H new ATOM 0 HB3 ASN D 47 98.628 2.388 -29.552 1.00 0.00 H new ATOM 0 HD21 ASN D 47 97.735 0.635 -26.221 1.00 0.00 H new ATOM 0 HD22 ASN D 47 97.931 2.349 -26.603 1.00 0.00 H new ATOM 1800 N GLN D 48 101.875 3.864 -29.707 1.00 0.00 N ATOM 1801 CA GLN D 48 102.394 5.001 -30.485 1.00 0.00 C ATOM 1802 C GLN D 48 103.832 4.763 -30.960 1.00 0.00 C ATOM 1803 O GLN D 48 104.257 5.349 -31.956 1.00 0.00 O ATOM 1804 CB GLN D 48 102.352 6.293 -29.656 1.00 0.00 C ATOM 1805 CG GLN D 48 103.031 6.089 -28.287 1.00 0.00 C ATOM 1806 CD GLN D 48 102.009 5.640 -27.245 1.00 0.00 C ATOM 1807 OE1 GLN D 48 101.308 4.650 -27.450 1.00 0.00 O ATOM 1808 NE2 GLN D 48 101.886 6.312 -26.131 1.00 0.00 N ATOM 0 H GLN D 48 102.093 3.895 -28.711 1.00 0.00 H new ATOM 0 HA GLN D 48 101.751 5.100 -31.359 1.00 0.00 H new ATOM 0 HB2 GLN D 48 102.852 7.095 -30.199 1.00 0.00 H new ATOM 0 HB3 GLN D 48 101.317 6.604 -29.511 1.00 0.00 H new ATOM 0 HG2 GLN D 48 103.822 5.344 -28.374 1.00 0.00 H new ATOM 0 HG3 GLN D 48 103.502 7.018 -27.966 1.00 0.00 H new ATOM 0 HE21 GLN D 48 102.468 7.132 -25.963 1.00 0.00 H new ATOM 0 HE22 GLN D 48 101.208 6.016 -25.429 1.00 0.00 H new ATOM 1817 N ILE D 49 104.572 3.933 -30.272 1.00 0.00 N ATOM 1818 CA ILE D 49 105.956 3.672 -30.671 1.00 0.00 C ATOM 1819 C ILE D 49 106.028 3.312 -32.152 1.00 0.00 C ATOM 1820 O ILE D 49 106.234 4.182 -33.000 1.00 0.00 O ATOM 1821 CB ILE D 49 106.552 2.540 -29.823 1.00 0.00 C ATOM 1822 CG1 ILE D 49 106.533 2.975 -28.349 1.00 0.00 C ATOM 1823 CG2 ILE D 49 108.001 2.261 -30.262 1.00 0.00 C ATOM 1824 CD1 ILE D 49 107.174 1.904 -27.454 1.00 0.00 C ATOM 0 H ILE D 49 104.259 3.427 -29.444 1.00 0.00 H new ATOM 0 HA ILE D 49 106.538 4.579 -30.505 1.00 0.00 H new ATOM 0 HB ILE D 49 105.966 1.630 -29.955 1.00 0.00 H new ATOM 0 HG12 ILE D 49 107.069 3.917 -28.237 1.00 0.00 H new ATOM 0 HG13 ILE D 49 105.506 3.153 -28.031 1.00 0.00 H new ATOM 0 HG21 ILE D 49 108.416 1.456 -29.655 1.00 0.00 H new ATOM 0 HG22 ILE D 49 108.013 1.967 -31.312 1.00 0.00 H new ATOM 0 HG23 ILE D 49 108.601 3.162 -30.130 1.00 0.00 H new ATOM 0 HD11 ILE D 49 107.149 2.235 -26.416 1.00 0.00 H new ATOM 0 HD12 ILE D 49 106.621 0.970 -27.551 1.00 0.00 H new ATOM 0 HD13 ILE D 49 108.208 1.746 -27.759 1.00 0.00 H new ATOM 1836 N LYS D 50 105.873 2.050 -32.454 1.00 0.00 N ATOM 1837 CA LYS D 50 105.933 1.590 -33.840 1.00 0.00 C ATOM 1838 C LYS D 50 105.143 2.524 -34.753 1.00 0.00 C ATOM 1839 O LYS D 50 105.559 2.808 -35.874 1.00 0.00 O ATOM 1840 CB LYS D 50 105.373 0.166 -33.952 1.00 0.00 C ATOM 1841 CG LYS D 50 105.793 -0.469 -35.293 1.00 0.00 C ATOM 1842 CD LYS D 50 107.171 -1.131 -35.161 1.00 0.00 C ATOM 1843 CE LYS D 50 107.533 -1.825 -36.476 1.00 0.00 C ATOM 1844 NZ LYS D 50 108.877 -2.457 -36.353 1.00 0.00 N ATOM 0 H LYS D 50 105.704 1.314 -31.769 1.00 0.00 H new ATOM 0 HA LYS D 50 106.977 1.592 -34.153 1.00 0.00 H new ATOM 0 HB2 LYS D 50 105.737 -0.442 -33.124 1.00 0.00 H new ATOM 0 HB3 LYS D 50 104.286 0.188 -33.877 1.00 0.00 H new ATOM 0 HG2 LYS D 50 105.054 -1.210 -35.600 1.00 0.00 H new ATOM 0 HG3 LYS D 50 105.822 0.294 -36.071 1.00 0.00 H new ATOM 0 HD2 LYS D 50 107.924 -0.382 -34.914 1.00 0.00 H new ATOM 0 HD3 LYS D 50 107.162 -1.855 -34.346 1.00 0.00 H new ATOM 0 HE2 LYS D 50 106.785 -2.580 -36.718 1.00 0.00 H new ATOM 0 HE3 LYS D 50 107.533 -1.103 -37.292 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 109.122 -2.928 -37.247 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 109.586 -1.726 -36.141 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 108.862 -3.158 -35.585 1.00 0.00 H new ATOM 1858 N ARG D 51 104.026 2.994 -34.268 1.00 0.00 N ATOM 1859 CA ARG D 51 103.191 3.901 -35.045 1.00 0.00 C ATOM 1860 C ARG D 51 102.676 3.204 -36.307 1.00 0.00 C ATOM 1861 O ARG D 51 101.491 2.894 -36.416 1.00 0.00 O ATOM 1862 CB ARG D 51 104.004 5.155 -35.420 1.00 0.00 C ATOM 1863 CG ARG D 51 103.080 6.372 -35.558 1.00 0.00 C ATOM 1864 CD ARG D 51 102.097 6.148 -36.707 1.00 0.00 C ATOM 1865 NE ARG D 51 101.465 7.409 -37.079 1.00 0.00 N ATOM 1866 CZ ARG D 51 102.135 8.344 -37.693 1.00 0.00 C ATOM 1867 NH1 ARG D 51 103.392 8.159 -37.989 1.00 0.00 N ATOM 1868 NH2 ARG D 51 101.547 9.465 -38.011 1.00 0.00 N ATOM 0 H ARG D 51 103.664 2.771 -33.341 1.00 0.00 H new ATOM 0 HA ARG D 51 102.332 4.198 -34.444 1.00 0.00 H new ATOM 0 HB2 ARG D 51 104.758 5.348 -34.657 1.00 0.00 H new ATOM 0 HB3 ARG D 51 104.534 4.985 -36.357 1.00 0.00 H new ATOM 0 HG2 ARG D 51 102.535 6.534 -34.628 1.00 0.00 H new ATOM 0 HG3 ARG D 51 103.671 7.269 -35.742 1.00 0.00 H new ATOM 0 HD2 ARG D 51 102.619 5.727 -37.566 1.00 0.00 H new ATOM 0 HD3 ARG D 51 101.337 5.425 -36.410 1.00 0.00 H new ATOM 0 HE ARG D 51 100.482 7.562 -36.855 1.00 0.00 H new ATOM 0 HH11 ARG D 51 103.851 7.283 -37.740 1.00 0.00 H new ATOM 0 HH12 ARG D 51 103.916 8.891 -38.469 1.00 0.00 H new ATOM 0 HH21 ARG D 51 100.564 9.609 -37.779 1.00 0.00 H new ATOM 0 HH22 ARG D 51 102.070 10.197 -38.491 1.00 0.00 H new ATOM 1882 N GLY D 52 103.561 2.968 -37.237 1.00 0.00 N ATOM 1883 CA GLY D 52 103.188 2.309 -38.483 1.00 0.00 C ATOM 1884 C GLY D 52 102.050 3.052 -39.174 1.00 0.00 C ATOM 0 H GLY D 52 104.547 3.218 -37.166 1.00 0.00 H new ATOM 0 HA2 GLY D 52 104.052 2.261 -39.146 1.00 0.00 H new ATOM 0 HA3 GLY D 52 102.886 1.282 -38.279 1.00 0.00 H new TER 1888 GLY D 52 HETATM 1889 CA RIM A 1 91.281 4.364 -6.998 1.00 0.00 C HETATM 1890 CB RIM A 1 90.612 3.241 -6.196 1.00 0.00 C HETATM 1891 NC RIM A 1 91.641 2.217 -5.867 1.00 0.00 N HETATM 1892 CD RIM A 1 89.957 3.765 -4.883 1.00 0.00 C HETATM 1893 CE1 RIM A 1 89.788 2.582 -3.934 1.00 0.00 C HETATM 1894 CE2 RIM A 1 88.579 4.332 -5.192 1.00 0.00 C HETATM 1895 CE3 RIM A 1 90.812 4.847 -4.212 1.00 0.00 C HETATM 1896 CF1 RIM A 1 89.115 3.026 -2.639 1.00 0.00 C HETATM 1897 CF2 RIM A 1 87.885 4.810 -3.905 1.00 0.00 C HETATM 1898 CF3 RIM A 1 90.147 5.293 -2.904 1.00 0.00 C HETATM 1899 CG1 RIM A 1 87.738 3.620 -2.953 1.00 0.00 C HETATM 1900 CG2 RIM A 1 88.762 5.873 -3.228 1.00 0.00 C HETATM 1901 CG3 RIM A 1 89.981 4.091 -1.972 1.00 0.00 C HETATM 0 HNC2 RIM A 1 91.382 1.388 -5.332 1.00 0.00 H new HETATM 0 HNC1 RIM A 1 92.605 2.345 -6.176 1.00 0.00 H new HETATM 0 HG32 RIM A 1 89.524 4.408 -1.035 1.00 0.00 H new HETATM 0 HG31 RIM A 1 90.958 3.675 -1.725 1.00 0.00 H new HETATM 0 HG22 RIM A 1 88.867 6.739 -3.882 1.00 0.00 H new HETATM 0 HG21 RIM A 1 88.283 6.221 -2.313 1.00 0.00 H new HETATM 0 HG12 RIM A 1 87.099 2.860 -3.404 1.00 0.00 H new HETATM 0 HG11 RIM A 1 87.252 3.939 -2.031 1.00 0.00 H new HETATM 0 HE32 RIM A 1 91.811 4.461 -4.010 1.00 0.00 H new HETATM 0 HE31 RIM A 1 90.928 5.699 -4.881 1.00 0.00 H new HETATM 0 HE22 RIM A 1 88.671 5.163 -5.891 1.00 0.00 H new HETATM 0 HE21 RIM A 1 87.969 3.572 -5.679 1.00 0.00 H new HETATM 0 HE12 RIM A 1 89.191 1.806 -4.413 1.00 0.00 H new HETATM 0 HE11 RIM A 1 90.761 2.144 -3.713 1.00 0.00 H new HETATM 0 HF3 RIM A 1 90.767 6.044 -2.415 1.00 0.00 H new HETATM 0 HF2 RIM A 1 86.907 5.228 -4.144 1.00 0.00 H new HETATM 0 HF1 RIM A 1 88.997 2.170 -1.975 1.00 0.00 H new HETATM 0 HB RIM A 1 89.816 2.812 -6.805 1.00 0.00 H new HETATM 0 HA3 RIM A 1 92.075 4.814 -6.402 1.00 0.00 H new HETATM 0 HA2 RIM A 1 91.704 3.954 -7.915 1.00 0.00 H new HETATM 0 HA1 RIM A 1 90.540 5.124 -7.248 1.00 0.00 H new