USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 902 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 8 GLN : amide:sc= -0.365 X(o=-0.36,f=0) USER MOD Set 1.2: B 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 7 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 28 SER OG : rot 180:sc= 0 USER MOD Set 2.3: B 29 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 29 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 8 GLN : amide:sc= -0.161 X(o=-0.16,f=0.046) USER MOD Set 4.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -142:sc= -0.137 (180deg=-0.576) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.134 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= -0.0869 USER MOD Single : A 3 LYS NZ :NH3+ -171:sc=-0.00364 (180deg=-0.125) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -114:sc= 1.12 (180deg=-0.104) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0338 USER MOD Single : A 22 ASN : amide:sc= 0.338 K(o=0.34,f=-0.27) USER MOD Single : A 25 THR OG1 : rot 61:sc= 0.786 USER MOD Single : A 26 MET CE :methyl -150:sc= -6.85! (180deg=-7.97!) USER MOD Single : A 32 TYR OH : rot 32:sc= 0.055 USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0.167 (180deg=0.138) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc=-0.00743 (180deg=-0.0647) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=-0.0049) USER MOD Single : A 44 SER OG : rot -120:sc= -0.403 USER MOD Single : A 46 LYS NZ :NH3+ -106:sc= 0.917 (180deg=-0.321) USER MOD Single : A 48 ASN :FLIP amide:sc= -1.33 F(o=-1.9,f=-1.3) USER MOD Single : A 49 SER OG : rot 6:sc= -0.698 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -28:sc= 0.661 USER MOD Single : A 59 THR OG1 : rot -85:sc= 0.117 USER MOD Single : B 1 MET CE :methyl -168:sc= -0.0124 (180deg=-0.213) USER MOD Single : B 1 MET N :NH3+ 132:sc= 0.11 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= -0.438 USER MOD Single : B 3 LYS NZ :NH3+ 171:sc=-0.000238 (180deg=-0.0677) USER MOD Single : B 10 LYS NZ :NH3+ 170:sc=-0.00587 (180deg=-0.0954) USER MOD Single : B 19 LYS NZ :NH3+ -121:sc= 0.688 (180deg=0) USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= 0.46 K(o=0.46,f=-0.27) USER MOD Single : B 25 THR OG1 : rot 170:sc= 0 USER MOD Single : B 26 MET CE :methyl -153:sc= -6.04! (180deg=-7.62!) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -161:sc= 0.362 (180deg=0.252) USER MOD Single : B 35 LYS NZ :NH3+ -150:sc= -3.85! (180deg=-4.96!) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc=-2.94e-06 X(o=-2.9e-06,f=0) USER MOD Single : B 44 SER OG : rot -125:sc= -0.666 USER MOD Single : B 46 LYS NZ :NH3+ -121:sc= 1.22 (180deg=-0.717) USER MOD Single : B 48 ASN : amide:sc= -0.773 K(o=-0.77,f=-2.1) USER MOD Single : B 49 SER OG : rot -91:sc= -0.205 USER MOD Single : B 54 THR OG1 : rot 180:sc= 0 USER MOD Single : B 58 THR OG1 : rot -152:sc= 0.305 USER MOD Single : B 59 THR OG1 : rot -65:sc= 0.789 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.778 8.334 11.250 1.00 0.00 N ATOM 2 CA MET A 1 -11.368 8.347 9.827 1.00 0.00 C ATOM 3 C MET A 1 -10.488 7.118 9.524 1.00 0.00 C ATOM 4 O MET A 1 -9.971 6.476 10.451 1.00 0.00 O ATOM 5 CB MET A 1 -10.630 9.681 9.495 1.00 0.00 C ATOM 6 CG MET A 1 -10.337 9.914 8.001 1.00 0.00 C ATOM 7 SD MET A 1 -9.516 11.485 7.662 1.00 0.00 S ATOM 8 CE MET A 1 -10.672 12.680 8.337 1.00 0.00 C ATOM 0 H1 MET A 1 -12.807 8.200 11.313 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.296 7.555 11.743 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.519 9.238 11.694 1.00 0.00 H new ATOM 0 HA MET A 1 -12.252 8.291 9.191 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.231 10.512 9.865 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.687 9.702 10.041 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.713 9.100 7.630 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.274 9.876 7.445 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.707 13.557 7.691 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.664 12.233 8.396 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.348 12.977 9.334 1.00 0.00 H new ATOM 18 N TYR A 2 -10.344 6.788 8.221 1.00 0.00 N ATOM 19 CA TYR A 2 -9.455 5.713 7.748 1.00 0.00 C ATOM 20 C TYR A 2 -7.981 5.981 8.106 1.00 0.00 C ATOM 21 O TYR A 2 -7.577 7.122 8.388 1.00 0.00 O ATOM 22 CB TYR A 2 -9.635 5.479 6.228 1.00 0.00 C ATOM 23 CG TYR A 2 -9.628 6.747 5.348 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.451 7.434 5.062 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.809 7.236 4.787 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.450 8.553 4.255 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.811 8.355 3.983 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.633 9.006 3.718 1.00 0.00 C ATOM 29 OH TYR A 2 -9.631 10.109 2.905 1.00 0.00 O ATOM 0 H TYR A 2 -10.844 7.263 7.469 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.743 4.799 8.268 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.840 4.817 5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.577 4.955 6.069 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.519 7.083 5.481 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.740 6.727 4.987 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.525 9.071 4.046 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.737 8.718 3.563 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.545 10.298 2.607 1.00 0.00 H new ATOM 39 N LYS A 3 -7.180 4.914 8.034 1.00 0.00 N ATOM 40 CA LYS A 3 -5.857 4.863 8.661 1.00 0.00 C ATOM 41 C LYS A 3 -5.020 3.700 8.096 1.00 0.00 C ATOM 42 O LYS A 3 -5.482 2.933 7.234 1.00 0.00 O ATOM 43 CB LYS A 3 -5.990 4.796 10.236 1.00 0.00 C ATOM 44 CG LYS A 3 -7.177 3.971 10.807 1.00 0.00 C ATOM 45 CD LYS A 3 -7.150 2.483 10.409 1.00 0.00 C ATOM 46 CE LYS A 3 -8.363 1.714 10.945 1.00 0.00 C ATOM 47 NZ LYS A 3 -8.452 1.771 12.419 1.00 0.00 N ATOM 0 H LYS A 3 -7.432 4.059 7.538 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.322 5.782 8.419 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.065 4.382 10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.073 5.815 10.613 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.170 4.047 11.894 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.112 4.412 10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.122 2.401 9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.236 2.025 10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.274 2.127 10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.302 0.673 10.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.191 1.117 12.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.538 1.496 12.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.689 2.739 12.715 1.00 0.00 H new ATOM 61 N PHE A 4 -3.786 3.594 8.610 1.00 0.00 N ATOM 62 CA PHE A 4 -2.812 2.570 8.226 1.00 0.00 C ATOM 63 C PHE A 4 -2.751 1.503 9.322 1.00 0.00 C ATOM 64 O PHE A 4 -2.254 1.761 10.422 1.00 0.00 O ATOM 65 CB PHE A 4 -1.420 3.212 8.004 1.00 0.00 C ATOM 66 CG PHE A 4 -1.394 4.225 6.860 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.680 5.576 7.085 1.00 0.00 C ATOM 68 CD2 PHE A 4 -1.089 3.825 5.560 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.661 6.486 6.048 1.00 0.00 C ATOM 70 CE2 PHE A 4 -1.073 4.738 4.525 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.359 6.066 4.769 1.00 0.00 C ATOM 0 H PHE A 4 -3.432 4.234 9.321 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.119 2.103 7.290 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.105 3.705 8.923 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.694 2.425 7.799 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.919 5.911 8.084 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.862 2.788 5.360 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.882 7.526 6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.836 4.413 3.523 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.346 6.778 3.957 1.00 0.00 H new ATOM 81 N GLU A 5 -3.264 0.313 9.006 1.00 0.00 N ATOM 82 CA GLU A 5 -3.325 -0.809 9.951 1.00 0.00 C ATOM 83 C GLU A 5 -2.103 -1.711 9.751 1.00 0.00 C ATOM 84 O GLU A 5 -2.033 -2.448 8.762 1.00 0.00 O ATOM 85 CB GLU A 5 -4.645 -1.605 9.811 1.00 0.00 C ATOM 86 CG GLU A 5 -5.860 -0.926 10.449 1.00 0.00 C ATOM 87 CD GLU A 5 -7.119 -1.804 10.439 1.00 0.00 C ATOM 88 OE1 GLU A 5 -7.295 -2.624 11.368 1.00 0.00 O ATOM 89 OE2 GLU A 5 -7.934 -1.681 9.506 1.00 0.00 O ATOM 0 H GLU A 5 -3.650 0.097 8.087 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.309 -0.411 10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.848 -1.767 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.513 -2.588 10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.620 -0.659 11.478 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.069 0.003 9.919 1.00 0.00 H new ATOM 96 N ILE A 6 -1.168 -1.660 10.719 1.00 0.00 N ATOM 97 CA ILE A 6 0.138 -2.328 10.637 1.00 0.00 C ATOM 98 C ILE A 6 0.056 -3.663 11.349 1.00 0.00 C ATOM 99 O ILE A 6 -0.304 -3.723 12.513 1.00 0.00 O ATOM 100 CB ILE A 6 1.272 -1.488 11.323 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.217 -0.008 10.864 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.673 -2.111 11.043 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.087 0.922 11.681 1.00 0.00 C ATOM 0 H ILE A 6 -1.304 -1.146 11.590 1.00 0.00 H new ATOM 0 HA ILE A 6 0.380 -2.447 9.581 1.00 0.00 H new ATOM 0 HB ILE A 6 1.106 -1.511 12.400 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.523 0.049 9.819 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.185 0.339 10.914 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.442 -1.511 11.529 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.704 -3.127 11.435 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.854 -2.131 9.968 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.994 1.938 11.298 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.768 0.896 12.723 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.127 0.602 11.612 1.00 0.00 H new ATOM 115 N TYR A 7 0.420 -4.715 10.671 1.00 0.00 N ATOM 116 CA TYR A 7 0.442 -6.052 11.251 1.00 0.00 C ATOM 117 C TYR A 7 1.675 -6.810 10.754 1.00 0.00 C ATOM 118 O TYR A 7 2.510 -6.267 10.025 1.00 0.00 O ATOM 119 CB TYR A 7 -0.887 -6.795 10.939 1.00 0.00 C ATOM 120 CG TYR A 7 -1.218 -6.913 9.434 1.00 0.00 C ATOM 121 CD1 TYR A 7 -1.858 -5.869 8.749 1.00 0.00 C ATOM 122 CD2 TYR A 7 -0.876 -8.052 8.694 1.00 0.00 C ATOM 123 CE1 TYR A 7 -2.139 -5.959 7.401 1.00 0.00 C ATOM 124 CE2 TYR A 7 -1.158 -8.146 7.345 1.00 0.00 C ATOM 125 CZ TYR A 7 -1.787 -7.097 6.704 1.00 0.00 C ATOM 126 OH TYR A 7 -2.071 -7.191 5.355 1.00 0.00 O ATOM 0 H TYR A 7 0.713 -4.682 9.695 1.00 0.00 H new ATOM 0 HA TYR A 7 0.518 -5.986 12.336 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.838 -7.796 11.367 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.705 -6.275 11.438 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.137 -4.976 9.288 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.381 -8.875 9.189 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.632 -5.143 6.894 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.888 -9.035 6.795 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.757 -8.054 5.014 1.00 0.00 H new ATOM 136 N GLN A 8 1.809 -8.046 11.214 1.00 0.00 N ATOM 137 CA GLN A 8 2.687 -9.032 10.579 1.00 0.00 C ATOM 138 C GLN A 8 1.781 -10.173 10.094 1.00 0.00 C ATOM 139 O GLN A 8 0.777 -10.511 10.741 1.00 0.00 O ATOM 140 CB GLN A 8 3.819 -9.540 11.521 1.00 0.00 C ATOM 141 CG GLN A 8 3.431 -10.628 12.536 1.00 0.00 C ATOM 142 CD GLN A 8 4.500 -10.886 13.603 1.00 0.00 C ATOM 143 OE1 GLN A 8 4.177 -11.188 14.746 1.00 0.00 O ATOM 144 NE2 GLN A 8 5.783 -10.818 13.232 1.00 0.00 N ATOM 0 H GLN A 8 1.316 -8.398 12.035 1.00 0.00 H new ATOM 0 HA GLN A 8 3.221 -8.575 9.746 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.630 -9.924 10.903 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.214 -8.686 12.071 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.502 -10.339 13.028 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.233 -11.557 12.001 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.024 -10.564 12.274 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.520 -11.020 13.907 1.00 0.00 H new ATOM 153 N ASP A 9 2.105 -10.702 8.930 1.00 0.00 N ATOM 154 CA ASP A 9 1.321 -11.747 8.267 1.00 0.00 C ATOM 155 C ASP A 9 1.866 -13.107 8.720 1.00 0.00 C ATOM 156 O ASP A 9 2.953 -13.147 9.303 1.00 0.00 O ATOM 157 CB ASP A 9 1.435 -11.564 6.727 1.00 0.00 C ATOM 158 CG ASP A 9 0.183 -11.991 5.932 1.00 0.00 C ATOM 159 OD1 ASP A 9 -0.166 -13.189 5.925 1.00 0.00 O ATOM 160 OD2 ASP A 9 -0.451 -11.128 5.290 1.00 0.00 O ATOM 0 H ASP A 9 2.932 -10.419 8.404 1.00 0.00 H new ATOM 0 HA ASP A 9 0.266 -11.686 8.532 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.644 -10.516 6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.289 -12.138 6.369 1.00 0.00 H new ATOM 165 N LYS A 10 1.120 -14.190 8.383 1.00 0.00 N ATOM 166 CA LYS A 10 1.407 -15.610 8.744 1.00 0.00 C ATOM 167 C LYS A 10 2.908 -15.979 8.626 1.00 0.00 C ATOM 168 O LYS A 10 3.450 -16.697 9.470 1.00 0.00 O ATOM 169 CB LYS A 10 0.499 -16.535 7.864 1.00 0.00 C ATOM 170 CG LYS A 10 0.589 -18.073 8.118 1.00 0.00 C ATOM 171 CD LYS A 10 1.726 -18.762 7.314 1.00 0.00 C ATOM 172 CE LYS A 10 1.868 -20.262 7.618 1.00 0.00 C ATOM 173 NZ LYS A 10 2.987 -20.887 6.853 1.00 0.00 N ATOM 0 H LYS A 10 0.267 -14.099 7.830 1.00 0.00 H new ATOM 0 HA LYS A 10 1.172 -15.757 9.798 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.537 -16.229 8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.742 -16.351 6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.747 -18.250 9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.363 -18.534 7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.538 -18.631 6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.670 -18.263 7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.038 -20.400 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.935 -20.771 7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.046 -21.898 7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.813 -20.779 5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.882 -20.420 7.103 1.00 0.00 H new ATOM 187 N ALA A 11 3.575 -15.426 7.597 1.00 0.00 N ATOM 188 CA ALA A 11 5.013 -15.657 7.316 1.00 0.00 C ATOM 189 C ALA A 11 5.951 -14.862 8.271 1.00 0.00 C ATOM 190 O ALA A 11 7.166 -14.814 8.041 1.00 0.00 O ATOM 191 CB ALA A 11 5.302 -15.290 5.846 1.00 0.00 C ATOM 0 H ALA A 11 3.130 -14.799 6.927 1.00 0.00 H new ATOM 0 HA ALA A 11 5.223 -16.712 7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.357 -15.457 5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.694 -15.913 5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.059 -14.241 5.678 1.00 0.00 H new ATOM 197 N GLY A 12 5.386 -14.281 9.350 1.00 0.00 N ATOM 198 CA GLY A 12 6.107 -13.371 10.254 1.00 0.00 C ATOM 199 C GLY A 12 6.620 -12.124 9.546 1.00 0.00 C ATOM 200 O GLY A 12 7.591 -11.506 9.989 1.00 0.00 O ATOM 0 H GLY A 12 4.413 -14.433 9.616 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.446 -13.075 11.068 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.947 -13.901 10.702 1.00 0.00 H new ATOM 204 N GLU A 13 5.951 -11.744 8.447 1.00 0.00 N ATOM 205 CA GLU A 13 6.446 -10.677 7.546 1.00 0.00 C ATOM 206 C GLU A 13 5.619 -9.414 7.761 1.00 0.00 C ATOM 207 O GLU A 13 4.391 -9.486 7.749 1.00 0.00 O ATOM 208 CB GLU A 13 6.378 -11.138 6.064 1.00 0.00 C ATOM 209 CG GLU A 13 7.094 -10.190 5.072 1.00 0.00 C ATOM 210 CD GLU A 13 8.585 -9.937 5.410 1.00 0.00 C ATOM 211 OE1 GLU A 13 9.396 -10.887 5.373 1.00 0.00 O ATOM 212 OE2 GLU A 13 8.954 -8.793 5.719 1.00 0.00 O ATOM 0 H GLU A 13 5.065 -12.156 8.156 1.00 0.00 H new ATOM 0 HA GLU A 13 7.489 -10.463 7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.820 -12.131 5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.332 -11.230 5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.025 -10.611 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.569 -9.235 5.054 1.00 0.00 H new ATOM 219 N TYR A 14 6.273 -8.247 7.885 1.00 0.00 N ATOM 220 CA TYR A 14 5.598 -7.039 8.383 1.00 0.00 C ATOM 221 C TYR A 14 4.955 -6.289 7.216 1.00 0.00 C ATOM 222 O TYR A 14 5.633 -5.790 6.307 1.00 0.00 O ATOM 223 CB TYR A 14 6.541 -6.150 9.221 1.00 0.00 C ATOM 224 CG TYR A 14 6.818 -6.740 10.613 1.00 0.00 C ATOM 225 CD1 TYR A 14 7.726 -7.787 10.792 1.00 0.00 C ATOM 226 CD2 TYR A 14 6.139 -6.269 11.742 1.00 0.00 C ATOM 227 CE1 TYR A 14 7.942 -8.340 12.038 1.00 0.00 C ATOM 228 CE2 TYR A 14 6.366 -6.816 12.989 1.00 0.00 C ATOM 229 CZ TYR A 14 7.263 -7.850 13.132 1.00 0.00 C ATOM 230 OH TYR A 14 7.475 -8.401 14.375 1.00 0.00 O ATOM 0 H TYR A 14 7.257 -8.116 7.650 1.00 0.00 H new ATOM 0 HA TYR A 14 4.804 -7.339 9.067 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.484 -6.022 8.689 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.100 -5.159 9.330 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.268 -8.170 9.940 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.426 -5.465 11.636 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.641 -9.155 12.155 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.840 -6.433 13.851 1.00 0.00 H new ATOM 0 HH TYR A 14 6.919 -7.939 15.037 1.00 0.00 H new ATOM 240 N ARG A 15 3.623 -6.263 7.278 1.00 0.00 N ATOM 241 CA ARG A 15 2.744 -5.786 6.225 1.00 0.00 C ATOM 242 C ARG A 15 1.656 -4.911 6.836 1.00 0.00 C ATOM 243 O ARG A 15 1.105 -5.257 7.872 1.00 0.00 O ATOM 244 CB ARG A 15 2.096 -6.994 5.515 1.00 0.00 C ATOM 245 CG ARG A 15 3.083 -7.911 4.765 1.00 0.00 C ATOM 246 CD ARG A 15 2.397 -9.166 4.258 1.00 0.00 C ATOM 247 NE ARG A 15 3.234 -9.978 3.359 1.00 0.00 N ATOM 248 CZ ARG A 15 2.819 -11.089 2.726 1.00 0.00 C ATOM 249 NH1 ARG A 15 1.588 -11.563 2.924 1.00 0.00 N ATOM 250 NH2 ARG A 15 3.634 -11.731 1.909 1.00 0.00 N ATOM 0 H ARG A 15 3.113 -6.588 8.099 1.00 0.00 H new ATOM 0 HA ARG A 15 3.317 -5.204 5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.561 -7.589 6.256 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.354 -6.626 4.806 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.520 -7.369 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.903 -8.186 5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.099 -9.776 5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.484 -8.883 3.733 1.00 0.00 H new ATOM 0 HE ARG A 15 4.196 -9.676 3.206 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.952 -11.082 3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.282 -12.407 2.439 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.581 -11.384 1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.316 -12.574 1.430 1.00 0.00 H new ATOM 264 N PHE A 16 1.337 -3.802 6.186 1.00 0.00 N ATOM 265 CA PHE A 16 0.233 -2.928 6.585 1.00 0.00 C ATOM 266 C PHE A 16 -0.747 -2.737 5.426 1.00 0.00 C ATOM 267 O PHE A 16 -0.490 -3.166 4.288 1.00 0.00 O ATOM 268 CB PHE A 16 0.766 -1.574 7.136 1.00 0.00 C ATOM 269 CG PHE A 16 1.772 -0.843 6.254 1.00 0.00 C ATOM 270 CD1 PHE A 16 3.138 -1.089 6.378 1.00 0.00 C ATOM 271 CD2 PHE A 16 1.353 0.104 5.322 1.00 0.00 C ATOM 272 CE1 PHE A 16 4.055 -0.421 5.593 1.00 0.00 C ATOM 273 CE2 PHE A 16 2.270 0.771 4.544 1.00 0.00 C ATOM 274 CZ PHE A 16 3.620 0.512 4.677 1.00 0.00 C ATOM 0 H PHE A 16 1.838 -3.477 5.359 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.315 -3.406 7.397 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.084 -0.914 7.307 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.228 -1.756 8.106 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.484 -1.814 7.100 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.300 0.316 5.210 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.110 -0.629 5.696 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.932 1.502 3.824 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.334 1.040 4.063 1.00 0.00 H new ATOM 284 N ARG A 17 -1.896 -2.144 5.760 1.00 0.00 N ATOM 285 CA ARG A 17 -2.972 -1.823 4.812 1.00 0.00 C ATOM 286 C ARG A 17 -3.353 -0.346 4.942 1.00 0.00 C ATOM 287 O ARG A 17 -3.056 0.289 5.960 1.00 0.00 O ATOM 288 CB ARG A 17 -4.204 -2.743 5.092 1.00 0.00 C ATOM 289 CG ARG A 17 -4.786 -2.631 6.510 1.00 0.00 C ATOM 290 CD ARG A 17 -5.533 -3.889 6.999 1.00 0.00 C ATOM 291 NE ARG A 17 -6.756 -4.201 6.238 1.00 0.00 N ATOM 292 CZ ARG A 17 -7.732 -5.025 6.668 1.00 0.00 C ATOM 293 NH1 ARG A 17 -7.663 -5.592 7.869 1.00 0.00 N ATOM 294 NH2 ARG A 17 -8.770 -5.277 5.895 1.00 0.00 N ATOM 0 H ARG A 17 -2.111 -1.867 6.718 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.630 -2.000 3.792 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.988 -2.504 4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.914 -3.779 4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.975 -2.413 7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.470 -1.783 6.542 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.857 -4.743 6.945 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.796 -3.757 8.049 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.872 -3.764 5.324 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.865 -5.405 8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.408 -6.214 8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.834 -4.848 4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.509 -5.901 6.220 1.00 0.00 H new ATOM 308 N PHE A 18 -3.994 0.189 3.902 1.00 0.00 N ATOM 309 CA PHE A 18 -4.665 1.491 3.966 1.00 0.00 C ATOM 310 C PHE A 18 -6.143 1.249 3.685 1.00 0.00 C ATOM 311 O PHE A 18 -6.512 0.537 2.734 1.00 0.00 O ATOM 312 CB PHE A 18 -4.068 2.511 2.974 1.00 0.00 C ATOM 313 CG PHE A 18 -4.632 3.928 3.071 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.808 4.545 4.310 1.00 0.00 C ATOM 315 CD2 PHE A 18 -4.958 4.652 1.927 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.296 5.827 4.395 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.443 5.939 2.015 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.612 6.526 3.246 1.00 0.00 C ATOM 0 H PHE A 18 -4.063 -0.266 2.992 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.523 1.929 4.954 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.990 2.556 3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.228 2.143 1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.558 4.009 5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.829 4.198 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.433 6.289 5.362 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.690 6.486 1.117 1.00 0.00 H new ATOM 0 HZ PHE A 18 -5.992 7.535 3.315 1.00 0.00 H new ATOM 328 N LYS A 19 -6.967 1.807 4.556 1.00 0.00 N ATOM 329 CA LYS A 19 -8.414 1.611 4.555 1.00 0.00 C ATOM 330 C LYS A 19 -9.124 2.789 3.870 1.00 0.00 C ATOM 331 O LYS A 19 -8.486 3.731 3.381 1.00 0.00 O ATOM 332 CB LYS A 19 -8.880 1.452 6.029 1.00 0.00 C ATOM 333 CG LYS A 19 -8.180 0.286 6.767 1.00 0.00 C ATOM 334 CD LYS A 19 -8.500 -1.084 6.112 1.00 0.00 C ATOM 335 CE LYS A 19 -9.952 -1.524 6.360 1.00 0.00 C ATOM 336 NZ LYS A 19 -10.148 -1.989 7.756 1.00 0.00 N ATOM 0 H LYS A 19 -6.645 2.424 5.302 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.671 0.715 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.688 2.381 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.958 1.290 6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.102 0.448 6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.497 0.273 7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.320 -1.022 5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.821 -1.840 6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.626 -0.692 6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.214 -2.325 5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.367 -3.006 7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.279 -1.822 8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.935 -1.465 8.189 1.00 0.00 H new ATOM 350 N ALA A 20 -10.454 2.717 3.864 1.00 0.00 N ATOM 351 CA ALA A 20 -11.342 3.785 3.388 1.00 0.00 C ATOM 352 C ALA A 20 -12.525 3.891 4.363 1.00 0.00 C ATOM 353 O ALA A 20 -12.711 2.992 5.188 1.00 0.00 O ATOM 354 CB ALA A 20 -11.795 3.523 1.947 1.00 0.00 C ATOM 0 H ALA A 20 -10.960 1.896 4.197 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.813 4.738 3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.452 4.329 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.923 3.477 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.333 2.576 1.901 1.00 0.00 H new ATOM 360 N SER A 21 -13.279 5.008 4.297 1.00 0.00 N ATOM 361 CA SER A 21 -14.416 5.311 5.207 1.00 0.00 C ATOM 362 C SER A 21 -15.463 4.169 5.311 1.00 0.00 C ATOM 363 O SER A 21 -16.071 3.973 6.364 1.00 0.00 O ATOM 364 CB SER A 21 -15.102 6.610 4.732 1.00 0.00 C ATOM 365 OG SER A 21 -14.139 7.596 4.396 1.00 0.00 O ATOM 0 H SER A 21 -13.117 5.738 3.603 1.00 0.00 H new ATOM 0 HA SER A 21 -14.000 5.426 6.208 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.730 6.399 3.866 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.757 6.988 5.517 1.00 0.00 H new ATOM 0 HG SER A 21 -14.595 8.410 4.096 1.00 0.00 H new ATOM 371 N ASN A 22 -15.631 3.415 4.214 1.00 0.00 N ATOM 372 CA ASN A 22 -16.609 2.305 4.117 1.00 0.00 C ATOM 373 C ASN A 22 -16.124 1.038 4.881 1.00 0.00 C ATOM 374 O ASN A 22 -16.886 0.096 5.081 1.00 0.00 O ATOM 375 CB ASN A 22 -16.837 1.995 2.614 1.00 0.00 C ATOM 376 CG ASN A 22 -17.970 1.012 2.316 1.00 0.00 C ATOM 377 OD1 ASN A 22 -18.975 0.949 3.026 1.00 0.00 O ATOM 378 ND2 ASN A 22 -17.811 0.235 1.258 1.00 0.00 N ATOM 0 H ASN A 22 -15.091 3.554 3.360 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.546 2.606 4.586 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.043 2.930 2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.912 1.596 2.198 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.533 -0.442 1.009 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.967 0.312 0.691 1.00 0.00 H new ATOM 385 N GLY A 23 -14.859 1.056 5.325 1.00 0.00 N ATOM 386 CA GLY A 23 -14.210 -0.102 5.942 1.00 0.00 C ATOM 387 C GLY A 23 -13.766 -1.114 4.905 1.00 0.00 C ATOM 388 O GLY A 23 -13.978 -2.318 5.052 1.00 0.00 O ATOM 0 H GLY A 23 -14.258 1.878 5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.347 0.229 6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.899 -0.576 6.641 1.00 0.00 H new ATOM 392 N GLU A 24 -13.141 -0.596 3.846 1.00 0.00 N ATOM 393 CA GLU A 24 -12.641 -1.389 2.722 1.00 0.00 C ATOM 394 C GLU A 24 -11.145 -1.091 2.523 1.00 0.00 C ATOM 395 O GLU A 24 -10.702 0.049 2.713 1.00 0.00 O ATOM 396 CB GLU A 24 -13.445 -1.067 1.434 1.00 0.00 C ATOM 397 CG GLU A 24 -13.498 0.437 1.082 1.00 0.00 C ATOM 398 CD GLU A 24 -14.061 0.725 -0.312 1.00 0.00 C ATOM 399 OE1 GLU A 24 -15.293 0.661 -0.491 1.00 0.00 O ATOM 400 OE2 GLU A 24 -13.271 0.995 -1.244 1.00 0.00 O ATOM 0 H GLU A 24 -12.965 0.404 3.744 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.768 -2.450 2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.003 -1.609 0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.463 -1.438 1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.108 0.953 1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.493 0.852 1.151 1.00 0.00 H new ATOM 407 N THR A 25 -10.374 -2.126 2.180 1.00 0.00 N ATOM 408 CA THR A 25 -8.937 -2.011 1.908 1.00 0.00 C ATOM 409 C THR A 25 -8.705 -1.885 0.396 1.00 0.00 C ATOM 410 O THR A 25 -9.253 -2.649 -0.405 1.00 0.00 O ATOM 411 CB THR A 25 -8.173 -3.245 2.483 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.457 -3.361 3.878 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.651 -3.164 2.281 1.00 0.00 C ATOM 0 H THR A 25 -10.732 -3.076 2.082 1.00 0.00 H new ATOM 0 HA THR A 25 -8.552 -1.117 2.398 1.00 0.00 H new ATOM 0 HB THR A 25 -8.520 -4.121 1.935 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.419 -3.495 4.006 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.180 -4.052 2.703 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.428 -3.107 1.216 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.264 -2.276 2.781 1.00 0.00 H new ATOM 421 N MET A 26 -7.902 -0.895 0.037 1.00 0.00 N ATOM 422 CA MET A 26 -7.592 -0.550 -1.358 1.00 0.00 C ATOM 423 C MET A 26 -6.145 -0.927 -1.718 1.00 0.00 C ATOM 424 O MET A 26 -5.822 -1.014 -2.904 1.00 0.00 O ATOM 425 CB MET A 26 -7.945 0.941 -1.626 1.00 0.00 C ATOM 426 CG MET A 26 -7.664 1.893 -0.454 1.00 0.00 C ATOM 427 SD MET A 26 -5.950 1.877 0.078 1.00 0.00 S ATOM 428 CE MET A 26 -5.176 2.451 -1.411 1.00 0.00 C ATOM 0 H MET A 26 -7.434 -0.292 0.714 1.00 0.00 H new ATOM 0 HA MET A 26 -8.214 -1.142 -2.029 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.382 1.282 -2.495 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.002 1.008 -1.884 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.937 2.907 -0.745 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.301 1.620 0.387 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.175 2.027 -1.487 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.768 2.140 -2.272 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.109 3.539 -1.390 1.00 0.00 H new ATOM 438 N PHE A 27 -5.279 -1.143 -0.700 1.00 0.00 N ATOM 439 CA PHE A 27 -4.025 -1.908 -0.878 1.00 0.00 C ATOM 440 C PHE A 27 -3.423 -2.358 0.463 1.00 0.00 C ATOM 441 O PHE A 27 -3.780 -1.840 1.529 1.00 0.00 O ATOM 442 CB PHE A 27 -2.964 -1.178 -1.769 1.00 0.00 C ATOM 443 CG PHE A 27 -2.269 0.082 -1.237 1.00 0.00 C ATOM 444 CD1 PHE A 27 -2.658 0.736 -0.074 1.00 0.00 C ATOM 445 CD2 PHE A 27 -1.218 0.632 -1.969 1.00 0.00 C ATOM 446 CE1 PHE A 27 -2.028 1.890 0.328 1.00 0.00 C ATOM 447 CE2 PHE A 27 -0.603 1.789 -1.566 1.00 0.00 C ATOM 448 CZ PHE A 27 -1.013 2.416 -0.415 1.00 0.00 C ATOM 0 H PHE A 27 -5.426 -0.799 0.249 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.313 -2.804 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.186 -1.903 -2.011 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.453 -0.911 -2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.464 0.333 0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.882 0.138 -2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.339 2.383 1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.202 2.207 -2.152 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.530 3.328 -0.097 1.00 0.00 H new ATOM 458 N SER A 28 -2.467 -3.295 0.357 1.00 0.00 N ATOM 459 CA SER A 28 -1.910 -4.014 1.513 1.00 0.00 C ATOM 460 C SER A 28 -0.821 -4.979 1.088 1.00 0.00 C ATOM 461 O SER A 28 -0.622 -5.192 -0.103 1.00 0.00 O ATOM 462 CB SER A 28 -3.034 -4.812 2.235 1.00 0.00 C ATOM 463 OG SER A 28 -3.693 -5.696 1.345 1.00 0.00 O ATOM 0 H SER A 28 -2.058 -3.575 -0.534 1.00 0.00 H new ATOM 0 HA SER A 28 -1.481 -3.273 2.188 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.606 -5.378 3.063 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.757 -4.118 2.663 1.00 0.00 H new ATOM 0 HG SER A 28 -4.392 -6.185 1.827 1.00 0.00 H new ATOM 469 N SER A 29 -0.131 -5.579 2.079 1.00 0.00 N ATOM 470 CA SER A 29 0.730 -6.762 1.866 1.00 0.00 C ATOM 471 C SER A 29 1.935 -6.474 0.962 1.00 0.00 C ATOM 472 O SER A 29 2.495 -7.384 0.339 1.00 0.00 O ATOM 473 CB SER A 29 -0.114 -7.951 1.350 1.00 0.00 C ATOM 474 OG SER A 29 -1.237 -8.166 2.193 1.00 0.00 O ATOM 0 H SER A 29 -0.154 -5.259 3.047 1.00 0.00 H new ATOM 0 HA SER A 29 1.155 -7.034 2.832 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.449 -7.752 0.332 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.499 -8.852 1.314 1.00 0.00 H new ATOM 0 HG SER A 29 -1.762 -8.920 1.853 1.00 0.00 H new ATOM 480 N GLU A 30 2.322 -5.191 0.921 1.00 0.00 N ATOM 481 CA GLU A 30 3.555 -4.722 0.300 1.00 0.00 C ATOM 482 C GLU A 30 4.784 -5.494 0.831 1.00 0.00 C ATOM 483 O GLU A 30 5.711 -5.773 0.059 1.00 0.00 O ATOM 484 CB GLU A 30 3.706 -3.169 0.475 1.00 0.00 C ATOM 485 CG GLU A 30 3.055 -2.531 1.732 1.00 0.00 C ATOM 486 CD GLU A 30 3.470 -3.179 3.048 1.00 0.00 C ATOM 487 OE1 GLU A 30 4.613 -2.960 3.509 1.00 0.00 O ATOM 488 OE2 GLU A 30 2.680 -3.981 3.580 1.00 0.00 O ATOM 0 H GLU A 30 1.769 -4.438 1.330 1.00 0.00 H new ATOM 0 HA GLU A 30 3.499 -4.926 -0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.770 -2.932 0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.283 -2.687 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.314 -1.473 1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.971 -2.591 1.636 1.00 0.00 H new ATOM 495 N GLY A 31 4.774 -5.847 2.144 1.00 0.00 N ATOM 496 CA GLY A 31 5.787 -6.714 2.719 1.00 0.00 C ATOM 497 C GLY A 31 7.157 -6.088 2.711 1.00 0.00 C ATOM 498 O GLY A 31 8.088 -6.681 2.159 1.00 0.00 O ATOM 0 H GLY A 31 4.066 -5.534 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.510 -6.960 3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.816 -7.651 2.163 1.00 0.00 H new ATOM 502 N TYR A 32 7.289 -4.881 3.309 1.00 0.00 N ATOM 503 CA TYR A 32 8.492 -4.060 3.140 1.00 0.00 C ATOM 504 C TYR A 32 9.674 -4.736 3.869 1.00 0.00 C ATOM 505 O TYR A 32 10.650 -5.129 3.214 1.00 0.00 O ATOM 506 CB TYR A 32 8.246 -2.605 3.617 1.00 0.00 C ATOM 507 CG TYR A 32 9.371 -1.625 3.262 1.00 0.00 C ATOM 508 CD1 TYR A 32 9.861 -1.544 1.954 1.00 0.00 C ATOM 509 CD2 TYR A 32 9.931 -0.775 4.216 1.00 0.00 C ATOM 510 CE1 TYR A 32 10.863 -0.658 1.618 1.00 0.00 C ATOM 511 CE2 TYR A 32 10.928 0.115 3.879 1.00 0.00 C ATOM 512 CZ TYR A 32 11.389 0.171 2.582 1.00 0.00 C ATOM 513 OH TYR A 32 12.376 1.075 2.244 1.00 0.00 O ATOM 0 H TYR A 32 6.577 -4.463 3.908 1.00 0.00 H new ATOM 0 HA TYR A 32 8.745 -3.990 2.082 1.00 0.00 H new ATOM 0 HB2 TYR A 32 7.315 -2.244 3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.110 -2.608 4.699 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.446 -2.188 1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.577 -0.815 5.236 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.233 -0.615 0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.347 0.768 4.631 1.00 0.00 H new ATOM 0 HH TYR A 32 12.244 1.373 1.320 1.00 0.00 H new ATOM 523 N LYS A 33 9.568 -4.875 5.217 1.00 0.00 N ATOM 524 CA LYS A 33 10.420 -5.802 5.991 1.00 0.00 C ATOM 525 C LYS A 33 9.968 -5.918 7.463 1.00 0.00 C ATOM 526 O LYS A 33 9.384 -6.926 7.865 1.00 0.00 O ATOM 527 CB LYS A 33 11.941 -5.444 5.934 1.00 0.00 C ATOM 528 CG LYS A 33 12.851 -6.665 6.207 1.00 0.00 C ATOM 529 CD LYS A 33 12.765 -7.718 5.063 1.00 0.00 C ATOM 530 CE LYS A 33 13.144 -9.143 5.496 1.00 0.00 C ATOM 531 NZ LYS A 33 12.114 -9.750 6.391 1.00 0.00 N ATOM 0 H LYS A 33 8.900 -4.355 5.785 1.00 0.00 H new ATOM 0 HA LYS A 33 10.292 -6.769 5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.177 -5.032 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.155 -4.665 6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.883 -6.332 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.563 -7.129 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.749 -7.727 4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.421 -7.410 4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.270 -9.769 4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.104 -9.122 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.469 -10.652 6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.913 -9.101 7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.242 -9.920 5.851 1.00 0.00 H new ATOM 545 N ALA A 34 10.254 -4.878 8.258 1.00 0.00 N ATOM 546 CA ALA A 34 10.119 -4.919 9.736 1.00 0.00 C ATOM 547 C ALA A 34 9.194 -3.810 10.195 1.00 0.00 C ATOM 548 O ALA A 34 8.809 -2.980 9.372 1.00 0.00 O ATOM 549 CB ALA A 34 11.501 -4.792 10.374 1.00 0.00 C ATOM 0 H ALA A 34 10.586 -3.981 7.903 1.00 0.00 H new ATOM 0 HA ALA A 34 9.684 -5.869 10.046 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.405 -4.822 11.459 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.132 -5.617 10.043 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.954 -3.846 10.076 1.00 0.00 H new ATOM 555 N LYS A 35 8.820 -3.774 11.499 1.00 0.00 N ATOM 556 CA LYS A 35 7.877 -2.770 12.014 1.00 0.00 C ATOM 557 C LYS A 35 8.484 -1.360 11.970 1.00 0.00 C ATOM 558 O LYS A 35 7.822 -0.421 11.545 1.00 0.00 O ATOM 559 CB LYS A 35 7.355 -3.159 13.440 1.00 0.00 C ATOM 560 CG LYS A 35 8.371 -3.302 14.603 1.00 0.00 C ATOM 561 CD LYS A 35 8.708 -1.974 15.318 1.00 0.00 C ATOM 562 CE LYS A 35 9.553 -2.187 16.580 1.00 0.00 C ATOM 563 NZ LYS A 35 10.759 -3.024 16.332 1.00 0.00 N ATOM 0 H LYS A 35 9.160 -4.429 12.204 1.00 0.00 H new ATOM 0 HA LYS A 35 7.007 -2.754 11.358 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.620 -2.410 13.736 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.825 -4.107 13.348 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.972 -4.004 15.335 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.292 -3.736 14.214 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.245 -1.321 14.631 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.783 -1.464 15.586 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.863 -1.218 16.972 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.940 -2.660 17.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.370 -3.010 17.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.468 -4.002 16.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.283 -2.645 15.517 1.00 0.00 H new ATOM 577 N ALA A 36 9.763 -1.229 12.375 1.00 0.00 N ATOM 578 CA ALA A 36 10.506 0.051 12.287 1.00 0.00 C ATOM 579 C ALA A 36 10.522 0.578 10.838 1.00 0.00 C ATOM 580 O ALA A 36 10.305 1.768 10.596 1.00 0.00 O ATOM 581 CB ALA A 36 11.932 -0.116 12.835 1.00 0.00 C ATOM 0 H ALA A 36 10.308 -1.996 12.769 1.00 0.00 H new ATOM 0 HA ALA A 36 9.993 0.791 12.902 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.463 0.833 12.763 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.887 -0.428 13.878 1.00 0.00 H new ATOM 0 HB3 ALA A 36 12.459 -0.872 12.253 1.00 0.00 H new ATOM 587 N SER A 37 10.707 -0.351 9.888 1.00 0.00 N ATOM 588 CA SER A 37 10.690 -0.062 8.446 1.00 0.00 C ATOM 589 C SER A 37 9.256 0.245 7.957 1.00 0.00 C ATOM 590 O SER A 37 9.069 1.029 7.021 1.00 0.00 O ATOM 591 CB SER A 37 11.255 -1.276 7.674 1.00 0.00 C ATOM 592 OG SER A 37 12.502 -1.685 8.210 1.00 0.00 O ATOM 0 H SER A 37 10.874 -1.334 10.102 1.00 0.00 H new ATOM 0 HA SER A 37 11.308 0.817 8.261 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.546 -2.103 7.721 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.375 -1.018 6.622 1.00 0.00 H new ATOM 0 HG SER A 37 12.838 -2.455 7.706 1.00 0.00 H new ATOM 598 N ALA A 38 8.259 -0.381 8.621 1.00 0.00 N ATOM 599 CA ALA A 38 6.840 -0.267 8.254 1.00 0.00 C ATOM 600 C ALA A 38 6.315 1.149 8.536 1.00 0.00 C ATOM 601 O ALA A 38 5.766 1.791 7.642 1.00 0.00 O ATOM 602 CB ALA A 38 5.992 -1.320 8.989 1.00 0.00 C ATOM 0 H ALA A 38 8.423 -0.981 9.429 1.00 0.00 H new ATOM 0 HA ALA A 38 6.755 -0.455 7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.947 -1.213 8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.341 -2.318 8.724 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.086 -1.176 10.065 1.00 0.00 H new ATOM 608 N ILE A 39 6.485 1.624 9.792 1.00 0.00 N ATOM 609 CA ILE A 39 6.141 3.004 10.188 1.00 0.00 C ATOM 610 C ILE A 39 6.890 4.031 9.313 1.00 0.00 C ATOM 611 O ILE A 39 6.265 4.960 8.814 1.00 0.00 O ATOM 612 CB ILE A 39 6.421 3.292 11.730 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.386 2.570 12.669 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.429 4.813 12.047 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.523 1.066 12.786 1.00 0.00 C ATOM 0 H ILE A 39 6.863 1.062 10.554 1.00 0.00 H new ATOM 0 HA ILE A 39 5.068 3.110 10.029 1.00 0.00 H new ATOM 0 HB ILE A 39 7.413 2.886 11.930 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.471 3.000 13.667 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.382 2.795 12.309 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.623 4.962 13.109 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.209 5.302 11.463 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.461 5.243 11.792 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.756 0.682 13.459 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.403 0.612 11.802 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.509 0.820 13.181 1.00 0.00 H new ATOM 627 N HIS A 40 8.218 3.831 9.117 1.00 0.00 N ATOM 628 CA HIS A 40 9.059 4.733 8.282 1.00 0.00 C ATOM 629 C HIS A 40 8.497 4.875 6.856 1.00 0.00 C ATOM 630 O HIS A 40 8.461 5.988 6.293 1.00 0.00 O ATOM 631 CB HIS A 40 10.540 4.258 8.250 1.00 0.00 C ATOM 632 CG HIS A 40 11.363 4.716 9.430 1.00 0.00 C ATOM 633 ND1 HIS A 40 12.614 5.277 9.303 1.00 0.00 N ATOM 634 CD2 HIS A 40 11.099 4.715 10.758 1.00 0.00 C ATOM 635 CE1 HIS A 40 13.076 5.601 10.491 1.00 0.00 C ATOM 636 NE2 HIS A 40 12.177 5.269 11.388 1.00 0.00 N ATOM 0 H HIS A 40 8.733 3.051 9.526 1.00 0.00 H new ATOM 0 HA HIS A 40 9.032 5.718 8.747 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.560 3.169 8.209 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.006 4.620 7.334 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.202 4.345 11.232 1.00 0.00 H new ATOM 0 HE1 HIS A 40 14.032 6.061 10.694 1.00 0.00 H new ATOM 0 HE2 HIS A 40 12.269 5.403 12.395 1.00 0.00 H new ATOM 645 N ALA A 41 8.026 3.753 6.290 1.00 0.00 N ATOM 646 CA ALA A 41 7.337 3.735 4.999 1.00 0.00 C ATOM 647 C ALA A 41 6.082 4.624 5.058 1.00 0.00 C ATOM 648 O ALA A 41 5.931 5.552 4.271 1.00 0.00 O ATOM 649 CB ALA A 41 6.983 2.290 4.606 1.00 0.00 C ATOM 0 H ALA A 41 8.115 2.832 6.720 1.00 0.00 H new ATOM 0 HA ALA A 41 7.999 4.137 4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.471 2.290 3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.896 1.699 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.331 1.856 5.364 1.00 0.00 H new ATOM 655 N ILE A 42 5.242 4.386 6.066 1.00 0.00 N ATOM 656 CA ILE A 42 4.013 5.169 6.280 1.00 0.00 C ATOM 657 C ILE A 42 4.319 6.668 6.502 1.00 0.00 C ATOM 658 O ILE A 42 3.514 7.530 6.133 1.00 0.00 O ATOM 659 CB ILE A 42 3.193 4.595 7.482 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.834 3.107 7.205 1.00 0.00 C ATOM 661 CG2 ILE A 42 1.915 5.432 7.739 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.337 2.343 8.399 1.00 0.00 C ATOM 0 H ILE A 42 5.388 3.650 6.757 1.00 0.00 H new ATOM 0 HA ILE A 42 3.413 5.085 5.374 1.00 0.00 H new ATOM 0 HB ILE A 42 3.806 4.652 8.382 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.072 3.071 6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.716 2.603 6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.366 5.009 8.580 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.194 6.461 7.968 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.285 5.416 6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.113 1.317 8.107 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.103 2.341 9.174 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.433 2.816 8.783 1.00 0.00 H new ATOM 674 N GLU A 43 5.514 6.971 7.033 1.00 0.00 N ATOM 675 CA GLU A 43 5.925 8.353 7.299 1.00 0.00 C ATOM 676 C GLU A 43 6.111 9.110 5.985 1.00 0.00 C ATOM 677 O GLU A 43 5.828 10.301 5.938 1.00 0.00 O ATOM 678 CB GLU A 43 7.203 8.429 8.160 1.00 0.00 C ATOM 679 CG GLU A 43 7.020 7.974 9.623 1.00 0.00 C ATOM 680 CD GLU A 43 8.284 8.159 10.469 1.00 0.00 C ATOM 681 OE1 GLU A 43 8.500 9.272 10.992 1.00 0.00 O ATOM 682 OE2 GLU A 43 9.073 7.205 10.605 1.00 0.00 O ATOM 0 H GLU A 43 6.213 6.273 7.286 1.00 0.00 H new ATOM 0 HA GLU A 43 5.129 8.826 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.975 7.815 7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.568 9.456 8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.202 8.537 10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.730 6.923 9.638 1.00 0.00 H new ATOM 689 N SER A 44 6.554 8.401 4.918 1.00 0.00 N ATOM 690 CA SER A 44 6.599 8.958 3.544 1.00 0.00 C ATOM 691 C SER A 44 5.215 9.435 3.083 1.00 0.00 C ATOM 692 O SER A 44 5.097 10.478 2.416 1.00 0.00 O ATOM 693 CB SER A 44 7.122 7.907 2.544 1.00 0.00 C ATOM 694 OG SER A 44 8.534 7.766 2.624 1.00 0.00 O ATOM 0 H SER A 44 6.886 7.439 4.984 1.00 0.00 H new ATOM 0 HA SER A 44 7.277 9.811 3.570 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.648 6.946 2.744 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.841 8.196 1.531 1.00 0.00 H new ATOM 0 HG SER A 44 8.934 7.982 1.756 1.00 0.00 H new ATOM 700 N ILE A 45 4.174 8.657 3.444 1.00 0.00 N ATOM 701 CA ILE A 45 2.802 8.930 3.003 1.00 0.00 C ATOM 702 C ILE A 45 2.320 10.241 3.647 1.00 0.00 C ATOM 703 O ILE A 45 1.712 11.095 2.989 1.00 0.00 O ATOM 704 CB ILE A 45 1.773 7.757 3.337 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.426 6.348 3.268 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.600 7.798 2.342 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.880 5.933 1.898 1.00 0.00 C ATOM 0 H ILE A 45 4.264 7.835 4.041 1.00 0.00 H new ATOM 0 HA ILE A 45 2.829 9.011 1.916 1.00 0.00 H new ATOM 0 HB ILE A 45 1.430 7.921 4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.282 6.326 3.942 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.711 5.613 3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.101 6.996 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.091 8.758 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.978 7.669 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.322 4.938 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.026 5.918 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.622 6.642 1.530 1.00 0.00 H new ATOM 719 N LYS A 46 2.639 10.392 4.945 1.00 0.00 N ATOM 720 CA LYS A 46 2.232 11.551 5.770 1.00 0.00 C ATOM 721 C LYS A 46 2.744 12.897 5.240 1.00 0.00 C ATOM 722 O LYS A 46 2.141 13.942 5.489 1.00 0.00 O ATOM 723 CB LYS A 46 2.693 11.367 7.253 1.00 0.00 C ATOM 724 CG LYS A 46 2.436 9.966 7.885 1.00 0.00 C ATOM 725 CD LYS A 46 1.020 9.404 7.604 1.00 0.00 C ATOM 726 CE LYS A 46 -0.100 10.388 7.966 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.289 10.555 9.421 1.00 0.00 N ATOM 0 H LYS A 46 3.193 9.707 5.459 1.00 0.00 H new ATOM 0 HA LYS A 46 1.144 11.580 5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.761 11.577 7.308 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.189 12.116 7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.178 9.264 7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.584 10.031 8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.941 9.145 6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.883 8.482 8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.122 11.359 7.523 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.034 10.042 7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.155 10.062 9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.527 10.154 9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.372 11.567 9.646 1.00 0.00 H new ATOM 741 N ARG A 47 3.855 12.840 4.518 1.00 0.00 N ATOM 742 CA ARG A 47 4.589 14.040 4.072 1.00 0.00 C ATOM 743 C ARG A 47 3.829 14.804 2.965 1.00 0.00 C ATOM 744 O ARG A 47 3.618 16.018 3.085 1.00 0.00 O ATOM 745 CB ARG A 47 6.014 13.668 3.583 1.00 0.00 C ATOM 746 CG ARG A 47 6.836 12.792 4.554 1.00 0.00 C ATOM 747 CD ARG A 47 6.967 13.374 5.975 1.00 0.00 C ATOM 748 NE ARG A 47 7.668 12.448 6.890 1.00 0.00 N ATOM 749 CZ ARG A 47 7.668 12.521 8.234 1.00 0.00 C ATOM 750 NH1 ARG A 47 6.995 13.480 8.870 1.00 0.00 N ATOM 751 NH2 ARG A 47 8.338 11.614 8.928 1.00 0.00 N ATOM 0 H ARG A 47 4.282 11.963 4.219 1.00 0.00 H new ATOM 0 HA ARG A 47 4.673 14.701 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.929 13.144 2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.567 14.588 3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.372 11.808 4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.834 12.648 4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.508 14.319 5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.975 13.593 6.370 1.00 0.00 H new ATOM 0 HE ARG A 47 8.198 11.687 6.465 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.469 14.173 8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.006 13.521 9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.845 10.873 8.444 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.347 11.656 9.947 1.00 0.00 H new ATOM 765 N ASN A 48 3.395 14.079 1.908 1.00 0.00 N ATOM 766 CA ASN A 48 2.846 14.726 0.682 1.00 0.00 C ATOM 767 C ASN A 48 2.194 13.728 -0.300 1.00 0.00 C ATOM 768 O ASN A 48 1.996 14.058 -1.466 1.00 0.00 O ATOM 769 CB ASN A 48 3.936 15.577 -0.055 1.00 0.00 C ATOM 770 CG ASN A 48 3.341 16.573 -1.067 1.00 0.00 C ATOM 771 OD1 ASN A 48 3.972 16.716 -2.216 1.00 0.00 O flip ATOM 772 ND2 ASN A 48 2.303 17.179 -0.821 1.00 0.00 N flip ATOM 0 H ASN A 48 3.411 13.060 1.873 1.00 0.00 H new ATOM 0 HA ASN A 48 2.054 15.388 1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.522 16.125 0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.622 14.907 -0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.837 17.048 0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.906 17.813 -1.514 1.00 0.00 H new ATOM 779 N SER A 49 1.843 12.523 0.154 1.00 0.00 N ATOM 780 CA SER A 49 1.285 11.478 -0.734 1.00 0.00 C ATOM 781 C SER A 49 -0.052 11.906 -1.369 1.00 0.00 C ATOM 782 O SER A 49 -0.327 11.602 -2.535 1.00 0.00 O ATOM 783 CB SER A 49 1.099 10.190 0.040 1.00 0.00 C ATOM 784 OG SER A 49 0.921 9.091 -0.807 1.00 0.00 O ATOM 0 H SER A 49 1.932 12.238 1.129 1.00 0.00 H new ATOM 0 HA SER A 49 1.997 11.324 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.968 10.021 0.676 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.235 10.284 0.698 1.00 0.00 H new ATOM 0 HG SER A 49 1.050 9.371 -1.737 1.00 0.00 H new ATOM 790 N ALA A 50 -0.868 12.622 -0.578 1.00 0.00 N ATOM 791 CA ALA A 50 -2.130 13.210 -1.043 1.00 0.00 C ATOM 792 C ALA A 50 -1.912 14.275 -2.154 1.00 0.00 C ATOM 793 O ALA A 50 -2.812 14.537 -2.960 1.00 0.00 O ATOM 794 CB ALA A 50 -2.895 13.783 0.154 1.00 0.00 C ATOM 0 H ALA A 50 -0.668 12.808 0.405 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.728 12.423 -1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.833 14.220 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.106 12.986 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.292 14.551 0.637 1.00 0.00 H new ATOM 800 N GLY A 51 -0.709 14.880 -2.171 1.00 0.00 N ATOM 801 CA GLY A 51 -0.298 15.809 -3.236 1.00 0.00 C ATOM 802 C GLY A 51 0.581 15.165 -4.306 1.00 0.00 C ATOM 803 O GLY A 51 0.799 15.762 -5.360 1.00 0.00 O ATOM 0 H GLY A 51 -0.000 14.739 -1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.189 16.222 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.241 16.644 -2.789 1.00 0.00 H new ATOM 807 N ALA A 52 1.071 13.939 -4.041 1.00 0.00 N ATOM 808 CA ALA A 52 2.016 13.219 -4.924 1.00 0.00 C ATOM 809 C ALA A 52 1.345 12.822 -6.242 1.00 0.00 C ATOM 810 O ALA A 52 0.205 12.384 -6.236 1.00 0.00 O ATOM 811 CB ALA A 52 2.543 11.971 -4.202 1.00 0.00 C ATOM 0 H ALA A 52 0.822 13.414 -3.203 1.00 0.00 H new ATOM 0 HA ALA A 52 2.848 13.884 -5.158 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.239 11.441 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.056 12.269 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.709 11.316 -3.952 1.00 0.00 H new ATOM 817 N ASP A 53 2.061 12.965 -7.366 1.00 0.00 N ATOM 818 CA ASP A 53 1.511 12.672 -8.712 1.00 0.00 C ATOM 819 C ASP A 53 1.250 11.158 -8.897 1.00 0.00 C ATOM 820 O ASP A 53 1.787 10.329 -8.159 1.00 0.00 O ATOM 821 CB ASP A 53 2.469 13.228 -9.803 1.00 0.00 C ATOM 822 CG ASP A 53 1.964 13.011 -11.245 1.00 0.00 C ATOM 823 OD1 ASP A 53 1.060 13.753 -11.687 1.00 0.00 O ATOM 824 OD2 ASP A 53 2.440 12.078 -11.933 1.00 0.00 O ATOM 0 H ASP A 53 3.030 13.284 -7.377 1.00 0.00 H new ATOM 0 HA ASP A 53 0.547 13.171 -8.814 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.615 14.295 -9.636 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.444 12.752 -9.694 1.00 0.00 H new ATOM 829 N THR A 54 0.389 10.808 -9.853 1.00 0.00 N ATOM 830 CA THR A 54 0.100 9.408 -10.194 1.00 0.00 C ATOM 831 C THR A 54 0.577 9.130 -11.635 1.00 0.00 C ATOM 832 O THR A 54 -0.063 9.551 -12.604 1.00 0.00 O ATOM 833 CB THR A 54 -1.429 9.121 -10.016 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.841 9.542 -8.697 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.779 7.632 -10.193 1.00 0.00 C ATOM 0 H THR A 54 -0.129 11.484 -10.414 1.00 0.00 H new ATOM 0 HA THR A 54 0.637 8.736 -9.524 1.00 0.00 H new ATOM 0 HB THR A 54 -1.955 9.679 -10.791 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.798 9.366 -8.581 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.852 7.492 -10.059 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.493 7.307 -11.194 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.240 7.041 -9.452 1.00 0.00 H new ATOM 843 N VAL A 55 1.737 8.456 -11.754 1.00 0.00 N ATOM 844 CA VAL A 55 2.379 8.140 -13.047 1.00 0.00 C ATOM 845 C VAL A 55 2.171 6.653 -13.395 1.00 0.00 C ATOM 846 O VAL A 55 2.438 5.773 -12.576 1.00 0.00 O ATOM 847 CB VAL A 55 3.918 8.510 -13.044 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.717 7.792 -11.943 1.00 0.00 C ATOM 849 CG2 VAL A 55 4.555 8.282 -14.444 1.00 0.00 C ATOM 0 H VAL A 55 2.260 8.112 -10.949 1.00 0.00 H new ATOM 0 HA VAL A 55 1.904 8.750 -13.815 1.00 0.00 H new ATOM 0 HB VAL A 55 3.972 9.573 -12.810 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.764 8.091 -11.999 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.314 8.061 -10.967 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.640 6.714 -12.082 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.612 8.545 -14.410 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.451 7.234 -14.725 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.049 8.907 -15.180 1.00 0.00 H new ATOM 859 N ASP A 56 1.663 6.380 -14.610 1.00 0.00 N ATOM 860 CA ASP A 56 1.412 5.007 -15.081 1.00 0.00 C ATOM 861 C ASP A 56 2.449 4.592 -16.149 1.00 0.00 C ATOM 862 O ASP A 56 2.565 5.230 -17.197 1.00 0.00 O ATOM 863 CB ASP A 56 -0.026 4.889 -15.631 1.00 0.00 C ATOM 864 CG ASP A 56 -0.407 3.443 -15.975 1.00 0.00 C ATOM 865 OD1 ASP A 56 0.080 2.915 -16.998 1.00 0.00 O ATOM 866 OD2 ASP A 56 -1.186 2.814 -15.228 1.00 0.00 O ATOM 0 H ASP A 56 1.416 7.100 -15.289 1.00 0.00 H new ATOM 0 HA ASP A 56 1.516 4.326 -14.237 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.727 5.280 -14.894 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.122 5.509 -16.523 1.00 0.00 H new ATOM 871 N LEU A 57 3.181 3.511 -15.856 1.00 0.00 N ATOM 872 CA LEU A 57 4.188 2.911 -16.758 1.00 0.00 C ATOM 873 C LEU A 57 3.627 1.722 -17.577 1.00 0.00 C ATOM 874 O LEU A 57 4.174 1.406 -18.634 1.00 0.00 O ATOM 875 CB LEU A 57 5.427 2.422 -15.951 1.00 0.00 C ATOM 876 CG LEU A 57 6.191 3.479 -15.079 1.00 0.00 C ATOM 877 CD1 LEU A 57 6.525 4.758 -15.863 1.00 0.00 C ATOM 878 CD2 LEU A 57 5.443 3.808 -13.780 1.00 0.00 C ATOM 0 H LEU A 57 3.093 3.014 -14.969 1.00 0.00 H new ATOM 0 HA LEU A 57 4.476 3.698 -17.455 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.102 1.616 -15.293 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.138 1.991 -16.656 1.00 0.00 H new ATOM 0 HG LEU A 57 7.137 3.013 -14.805 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.053 5.456 -15.213 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.156 4.508 -16.716 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.603 5.219 -16.217 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.010 4.544 -13.210 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.460 4.214 -14.019 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.327 2.901 -13.187 1.00 0.00 H new ATOM 890 N THR A 58 2.515 1.099 -17.119 1.00 0.00 N ATOM 891 CA THR A 58 1.982 -0.159 -17.728 1.00 0.00 C ATOM 892 C THR A 58 1.035 0.138 -18.920 1.00 0.00 C ATOM 893 O THR A 58 0.454 -0.776 -19.513 1.00 0.00 O ATOM 894 CB THR A 58 1.281 -1.065 -16.652 1.00 0.00 C ATOM 895 OG1 THR A 58 0.765 -2.272 -17.223 1.00 0.00 O ATOM 896 CG2 THR A 58 0.164 -0.344 -15.889 1.00 0.00 C ATOM 0 H THR A 58 1.965 1.441 -16.331 1.00 0.00 H new ATOM 0 HA THR A 58 2.834 -0.714 -18.121 1.00 0.00 H new ATOM 0 HB THR A 58 2.066 -1.313 -15.937 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.542 -2.119 -18.165 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.278 -1.025 -15.162 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.577 0.521 -15.371 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.602 -0.015 -16.591 1.00 0.00 H new ATOM 904 N THR A 59 0.920 1.427 -19.289 1.00 0.00 N ATOM 905 CA THR A 59 0.281 1.866 -20.547 1.00 0.00 C ATOM 906 C THR A 59 1.173 1.483 -21.751 1.00 0.00 C ATOM 907 O THR A 59 0.681 1.292 -22.866 1.00 0.00 O ATOM 908 CB THR A 59 0.037 3.431 -20.539 1.00 0.00 C ATOM 909 OG1 THR A 59 1.069 4.076 -19.769 1.00 0.00 O ATOM 910 CG2 THR A 59 -1.339 3.826 -19.970 1.00 0.00 C ATOM 0 H THR A 59 1.269 2.199 -18.721 1.00 0.00 H new ATOM 0 HA THR A 59 -0.684 1.366 -20.635 1.00 0.00 H new ATOM 0 HB THR A 59 0.063 3.759 -21.578 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.820 4.074 -18.821 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.444 4.911 -19.992 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.126 3.373 -20.573 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.422 3.474 -18.942 1.00 0.00 H new ATOM 961 N MET B 1 9.372 15.727 -7.838 1.00 0.00 N ATOM 962 CA MET B 1 8.669 15.222 -6.636 1.00 0.00 C ATOM 963 C MET B 1 8.442 13.711 -6.765 1.00 0.00 C ATOM 964 O MET B 1 8.424 13.177 -7.883 1.00 0.00 O ATOM 965 CB MET B 1 7.314 15.967 -6.440 1.00 0.00 C ATOM 966 CG MET B 1 6.584 15.654 -5.122 1.00 0.00 C ATOM 967 SD MET B 1 4.949 16.427 -5.017 1.00 0.00 S ATOM 968 CE MET B 1 5.361 18.173 -5.018 1.00 0.00 C ATOM 0 H1 MET B 1 8.887 16.576 -8.193 1.00 0.00 H new ATOM 0 H2 MET B 1 10.353 15.967 -7.591 1.00 0.00 H new ATOM 0 H3 MET B 1 9.370 14.993 -8.575 1.00 0.00 H new ATOM 0 HA MET B 1 9.287 15.412 -5.759 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.496 17.040 -6.491 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.655 15.716 -7.271 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.476 14.574 -5.020 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.195 15.994 -4.285 1.00 0.00 H new ATOM 0 HE1 MET B 1 4.481 18.755 -4.745 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.157 18.359 -4.297 1.00 0.00 H new ATOM 0 HE3 MET B 1 5.696 18.467 -6.013 1.00 0.00 H new ATOM 978 N TYR B 2 8.291 13.022 -5.619 1.00 0.00 N ATOM 979 CA TYR B 2 7.875 11.615 -5.594 1.00 0.00 C ATOM 980 C TYR B 2 6.412 11.441 -6.053 1.00 0.00 C ATOM 981 O TYR B 2 5.612 12.391 -6.048 1.00 0.00 O ATOM 982 CB TYR B 2 8.113 10.977 -4.206 1.00 0.00 C ATOM 983 CG TYR B 2 7.678 11.800 -2.974 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.331 12.081 -2.710 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.624 12.277 -2.062 1.00 0.00 C ATOM 986 CE1 TYR B 2 5.961 12.800 -1.593 1.00 0.00 C ATOM 987 CE2 TYR B 2 8.256 12.988 -0.950 1.00 0.00 C ATOM 988 CZ TYR B 2 6.928 13.249 -0.718 1.00 0.00 C ATOM 989 OH TYR B 2 6.573 13.964 0.402 1.00 0.00 O ATOM 0 H TYR B 2 8.453 13.423 -4.695 1.00 0.00 H new ATOM 0 HA TYR B 2 8.502 11.083 -6.310 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.589 10.022 -4.178 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.177 10.760 -4.110 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.571 11.729 -3.392 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.671 12.080 -2.238 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.919 13.011 -1.404 1.00 0.00 H new ATOM 0 HE2 TYR B 2 9.007 13.342 -0.259 1.00 0.00 H new ATOM 0 HH TYR B 2 7.378 14.201 0.908 1.00 0.00 H new ATOM 999 N LYS B 3 6.082 10.195 -6.401 1.00 0.00 N ATOM 1000 CA LYS B 3 4.845 9.847 -7.109 1.00 0.00 C ATOM 1001 C LYS B 3 4.561 8.335 -7.015 1.00 0.00 C ATOM 1002 O LYS B 3 5.342 7.570 -6.422 1.00 0.00 O ATOM 1003 CB LYS B 3 4.870 10.349 -8.611 1.00 0.00 C ATOM 1004 CG LYS B 3 6.238 10.385 -9.343 1.00 0.00 C ATOM 1005 CD LYS B 3 7.021 9.058 -9.306 1.00 0.00 C ATOM 1006 CE LYS B 3 8.242 9.081 -10.239 1.00 0.00 C ATOM 1007 NZ LYS B 3 9.117 10.267 -10.018 1.00 0.00 N ATOM 0 H LYS B 3 6.673 9.389 -6.197 1.00 0.00 H new ATOM 0 HA LYS B 3 4.023 10.367 -6.616 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.199 9.712 -9.187 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.452 11.355 -8.634 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.071 10.664 -10.383 1.00 0.00 H new ATOM 0 HG3 LYS B 3 6.853 11.167 -8.898 1.00 0.00 H new ATOM 0 HD2 LYS B 3 7.349 8.859 -8.286 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.361 8.240 -9.594 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.825 8.172 -10.089 1.00 0.00 H new ATOM 0 HE3 LYS B 3 7.902 9.074 -11.275 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.997 10.155 -10.561 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 8.623 11.126 -10.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.343 10.348 -9.006 1.00 0.00 H new ATOM 1021 N PHE B 4 3.431 7.934 -7.620 1.00 0.00 N ATOM 1022 CA PHE B 4 2.954 6.550 -7.658 1.00 0.00 C ATOM 1023 C PHE B 4 3.238 5.956 -9.037 1.00 0.00 C ATOM 1024 O PHE B 4 2.600 6.335 -10.019 1.00 0.00 O ATOM 1025 CB PHE B 4 1.438 6.495 -7.352 1.00 0.00 C ATOM 1026 CG PHE B 4 1.085 6.906 -5.930 1.00 0.00 C ATOM 1027 CD1 PHE B 4 1.105 5.962 -4.906 1.00 0.00 C ATOM 1028 CD2 PHE B 4 0.738 8.230 -5.612 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.790 6.316 -3.619 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.427 8.575 -4.321 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.453 7.618 -3.331 1.00 0.00 C ATOM 0 H PHE B 4 2.812 8.582 -8.107 1.00 0.00 H new ATOM 0 HA PHE B 4 3.477 5.968 -6.899 1.00 0.00 H new ATOM 0 HB2 PHE B 4 0.912 7.146 -8.050 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.078 5.481 -7.528 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.372 4.939 -5.128 1.00 0.00 H new ATOM 0 HD2 PHE B 4 0.716 8.980 -6.388 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.807 5.575 -2.834 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.162 9.594 -4.082 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.206 7.893 -2.316 1.00 0.00 H new ATOM 1041 N GLU B 5 4.194 5.023 -9.088 1.00 0.00 N ATOM 1042 CA GLU B 5 4.644 4.387 -10.335 1.00 0.00 C ATOM 1043 C GLU B 5 3.871 3.079 -10.541 1.00 0.00 C ATOM 1044 O GLU B 5 4.153 2.087 -9.862 1.00 0.00 O ATOM 1045 CB GLU B 5 6.184 4.134 -10.310 1.00 0.00 C ATOM 1046 CG GLU B 5 7.048 5.409 -10.384 1.00 0.00 C ATOM 1047 CD GLU B 5 8.569 5.159 -10.305 1.00 0.00 C ATOM 1048 OE1 GLU B 5 8.996 4.274 -9.540 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.346 5.879 -10.970 1.00 0.00 O ATOM 0 H GLU B 5 4.683 4.684 -8.259 1.00 0.00 H new ATOM 0 HA GLU B 5 4.442 5.055 -11.172 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.435 3.594 -9.397 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.445 3.485 -11.146 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.826 5.929 -11.316 1.00 0.00 H new ATOM 0 HG3 GLU B 5 6.760 6.075 -9.571 1.00 0.00 H new ATOM 1056 N ILE B 6 2.914 3.087 -11.497 1.00 0.00 N ATOM 1057 CA ILE B 6 1.975 1.977 -11.726 1.00 0.00 C ATOM 1058 C ILE B 6 2.514 1.092 -12.834 1.00 0.00 C ATOM 1059 O ILE B 6 2.786 1.570 -13.927 1.00 0.00 O ATOM 1060 CB ILE B 6 0.561 2.490 -12.172 1.00 0.00 C ATOM 1061 CG1 ILE B 6 0.082 3.638 -11.244 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.472 1.325 -12.206 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.116 4.399 -11.767 1.00 0.00 C ATOM 0 H ILE B 6 2.775 3.872 -12.133 1.00 0.00 H new ATOM 0 HA ILE B 6 1.874 1.433 -10.787 1.00 0.00 H new ATOM 0 HB ILE B 6 0.644 2.885 -13.185 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.164 3.222 -10.267 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.905 4.337 -11.094 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.443 1.709 -12.518 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.139 0.564 -12.911 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.558 0.886 -11.212 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.386 5.183 -11.060 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.870 4.848 -12.729 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.956 3.715 -11.889 1.00 0.00 H new ATOM 1075 N TYR B 7 2.643 -0.181 -12.566 1.00 0.00 N ATOM 1076 CA TYR B 7 3.087 -1.147 -13.561 1.00 0.00 C ATOM 1077 C TYR B 7 2.287 -2.448 -13.412 1.00 0.00 C ATOM 1078 O TYR B 7 1.367 -2.544 -12.601 1.00 0.00 O ATOM 1079 CB TYR B 7 4.624 -1.369 -13.447 1.00 0.00 C ATOM 1080 CG TYR B 7 5.086 -1.912 -12.084 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.323 -1.049 -11.021 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.248 -3.282 -11.847 1.00 0.00 C ATOM 1083 CE1 TYR B 7 5.705 -1.525 -9.794 1.00 0.00 C ATOM 1084 CE2 TYR B 7 5.627 -3.764 -10.608 1.00 0.00 C ATOM 1085 CZ TYR B 7 5.855 -2.878 -9.581 1.00 0.00 C ATOM 1086 OH TYR B 7 6.231 -3.342 -8.338 1.00 0.00 O ATOM 0 H TYR B 7 2.445 -0.587 -11.652 1.00 0.00 H new ATOM 0 HA TYR B 7 2.898 -0.763 -14.563 1.00 0.00 H new ATOM 0 HB2 TYR B 7 4.938 -2.063 -14.227 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.131 -0.423 -13.639 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.204 0.015 -11.164 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.073 -3.980 -12.652 1.00 0.00 H new ATOM 0 HE1 TYR B 7 5.890 -0.833 -8.986 1.00 0.00 H new ATOM 0 HE2 TYR B 7 5.743 -4.826 -10.448 1.00 0.00 H new ATOM 0 HH TYR B 7 6.290 -4.320 -8.358 1.00 0.00 H new ATOM 1096 N GLN B 8 2.611 -3.411 -14.260 1.00 0.00 N ATOM 1097 CA GLN B 8 2.234 -4.815 -14.055 1.00 0.00 C ATOM 1098 C GLN B 8 3.541 -5.598 -13.901 1.00 0.00 C ATOM 1099 O GLN B 8 4.553 -5.288 -14.551 1.00 0.00 O ATOM 1100 CB GLN B 8 1.351 -5.387 -15.203 1.00 0.00 C ATOM 1101 CG GLN B 8 2.116 -5.862 -16.461 1.00 0.00 C ATOM 1102 CD GLN B 8 1.213 -6.290 -17.621 1.00 0.00 C ATOM 1103 OE1 GLN B 8 1.578 -6.139 -18.789 1.00 0.00 O ATOM 1104 NE2 GLN B 8 0.049 -6.858 -17.322 1.00 0.00 N ATOM 0 H GLN B 8 3.144 -3.249 -15.114 1.00 0.00 H new ATOM 0 HA GLN B 8 1.611 -4.904 -13.165 1.00 0.00 H new ATOM 0 HB2 GLN B 8 0.776 -6.226 -14.811 1.00 0.00 H new ATOM 0 HB3 GLN B 8 0.635 -4.622 -15.502 1.00 0.00 H new ATOM 0 HG2 GLN B 8 2.768 -5.058 -16.801 1.00 0.00 H new ATOM 0 HG3 GLN B 8 2.758 -6.699 -16.187 1.00 0.00 H new ATOM 0 HE21 GLN B 8 -0.228 -6.970 -16.347 1.00 0.00 H new ATOM 0 HE22 GLN B 8 -0.567 -7.181 -18.068 1.00 0.00 H new ATOM 1113 N ASP B 9 3.529 -6.568 -13.006 1.00 0.00 N ATOM 1114 CA ASP B 9 4.702 -7.373 -12.682 1.00 0.00 C ATOM 1115 C ASP B 9 4.702 -8.618 -13.573 1.00 0.00 C ATOM 1116 O ASP B 9 3.678 -8.885 -14.211 1.00 0.00 O ATOM 1117 CB ASP B 9 4.672 -7.735 -11.168 1.00 0.00 C ATOM 1118 CG ASP B 9 6.033 -8.161 -10.583 1.00 0.00 C ATOM 1119 OD1 ASP B 9 7.085 -7.799 -11.144 1.00 0.00 O ATOM 1120 OD2 ASP B 9 6.056 -8.840 -9.539 1.00 0.00 O ATOM 0 H ASP B 9 2.697 -6.826 -12.475 1.00 0.00 H new ATOM 0 HA ASP B 9 5.623 -6.821 -12.870 1.00 0.00 H new ATOM 0 HB2 ASP B 9 4.305 -6.874 -10.609 1.00 0.00 H new ATOM 0 HB3 ASP B 9 3.957 -8.543 -11.015 1.00 0.00 H new ATOM 1125 N LYS B 10 5.834 -9.368 -13.565 1.00 0.00 N ATOM 1126 CA LYS B 10 6.097 -10.579 -14.392 1.00 0.00 C ATOM 1127 C LYS B 10 4.867 -11.524 -14.505 1.00 0.00 C ATOM 1128 O LYS B 10 4.590 -12.074 -15.575 1.00 0.00 O ATOM 1129 CB LYS B 10 7.352 -11.312 -13.807 1.00 0.00 C ATOM 1130 CG LYS B 10 7.943 -12.490 -14.644 1.00 0.00 C ATOM 1131 CD LYS B 10 7.234 -13.847 -14.423 1.00 0.00 C ATOM 1132 CE LYS B 10 7.903 -14.998 -15.188 1.00 0.00 C ATOM 1133 NZ LYS B 10 9.288 -15.267 -14.715 1.00 0.00 N ATOM 0 H LYS B 10 6.621 -9.138 -12.959 1.00 0.00 H new ATOM 0 HA LYS B 10 6.296 -10.265 -15.416 1.00 0.00 H new ATOM 0 HB2 LYS B 10 8.139 -10.572 -13.662 1.00 0.00 H new ATOM 0 HB3 LYS B 10 7.090 -11.696 -12.821 1.00 0.00 H new ATOM 0 HG2 LYS B 10 7.887 -12.232 -15.702 1.00 0.00 H new ATOM 0 HG3 LYS B 10 8.999 -12.601 -14.398 1.00 0.00 H new ATOM 0 HD2 LYS B 10 7.228 -14.080 -13.358 1.00 0.00 H new ATOM 0 HD3 LYS B 10 6.194 -13.764 -14.737 1.00 0.00 H new ATOM 0 HE2 LYS B 10 7.303 -15.901 -15.077 1.00 0.00 H new ATOM 0 HE3 LYS B 10 7.926 -14.759 -16.251 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 9.634 -16.152 -15.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 9.910 -14.482 -14.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 9.290 -15.355 -13.679 1.00 0.00 H new ATOM 1147 N ALA B 11 4.113 -11.645 -13.399 1.00 0.00 N ATOM 1148 CA ALA B 11 2.901 -12.497 -13.301 1.00 0.00 C ATOM 1149 C ALA B 11 1.660 -11.863 -14.000 1.00 0.00 C ATOM 1150 O ALA B 11 0.542 -12.359 -13.831 1.00 0.00 O ATOM 1151 CB ALA B 11 2.603 -12.769 -11.813 1.00 0.00 C ATOM 0 H ALA B 11 4.326 -11.150 -12.533 1.00 0.00 H new ATOM 0 HA ALA B 11 3.102 -13.431 -13.825 1.00 0.00 H new ATOM 0 HB1 ALA B 11 1.714 -13.394 -11.728 1.00 0.00 H new ATOM 0 HB2 ALA B 11 3.452 -13.281 -11.360 1.00 0.00 H new ATOM 0 HB3 ALA B 11 2.432 -11.824 -11.297 1.00 0.00 H new ATOM 1157 N GLY B 12 1.875 -10.789 -14.793 1.00 0.00 N ATOM 1158 CA GLY B 12 0.794 -9.982 -15.389 1.00 0.00 C ATOM 1159 C GLY B 12 -0.112 -9.344 -14.339 1.00 0.00 C ATOM 1160 O GLY B 12 -1.273 -9.043 -14.614 1.00 0.00 O ATOM 0 H GLY B 12 2.809 -10.459 -15.037 1.00 0.00 H new ATOM 0 HA2 GLY B 12 1.230 -9.200 -16.010 1.00 0.00 H new ATOM 0 HA3 GLY B 12 0.195 -10.613 -16.045 1.00 0.00 H new ATOM 1164 N GLU B 13 0.439 -9.119 -13.134 1.00 0.00 N ATOM 1165 CA GLU B 13 -0.356 -8.691 -11.954 1.00 0.00 C ATOM 1166 C GLU B 13 -0.105 -7.207 -11.699 1.00 0.00 C ATOM 1167 O GLU B 13 1.051 -6.791 -11.630 1.00 0.00 O ATOM 1168 CB GLU B 13 0.027 -9.535 -10.707 1.00 0.00 C ATOM 1169 CG GLU B 13 -0.765 -9.222 -9.409 1.00 0.00 C ATOM 1170 CD GLU B 13 -2.287 -9.487 -9.517 1.00 0.00 C ATOM 1171 OE1 GLU B 13 -2.724 -10.632 -9.280 1.00 0.00 O ATOM 1172 OE2 GLU B 13 -3.051 -8.561 -9.857 1.00 0.00 O ATOM 0 H GLU B 13 1.436 -9.225 -12.944 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.416 -8.849 -12.151 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.111 -10.589 -10.949 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.089 -9.390 -10.506 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.359 -9.823 -8.595 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.607 -8.177 -9.143 1.00 0.00 H new ATOM 1179 N TYR B 14 -1.169 -6.418 -11.480 1.00 0.00 N ATOM 1180 CA TYR B 14 -1.054 -4.950 -11.508 1.00 0.00 C ATOM 1181 C TYR B 14 -0.673 -4.433 -10.120 1.00 0.00 C ATOM 1182 O TYR B 14 -1.422 -4.568 -9.143 1.00 0.00 O ATOM 1183 CB TYR B 14 -2.323 -4.278 -12.077 1.00 0.00 C ATOM 1184 CG TYR B 14 -2.388 -4.385 -13.609 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -2.830 -5.551 -14.243 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -1.960 -3.328 -14.420 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -2.839 -5.654 -15.623 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -1.977 -3.429 -15.793 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.416 -4.589 -16.393 1.00 0.00 C ATOM 1190 OH TYR B 14 -2.429 -4.682 -17.771 1.00 0.00 O ATOM 0 H TYR B 14 -2.108 -6.766 -11.284 1.00 0.00 H new ATOM 0 HA TYR B 14 -0.254 -4.675 -12.195 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -3.207 -4.744 -11.642 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -2.340 -3.228 -11.785 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.170 -6.384 -13.646 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.610 -2.416 -13.960 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.176 -6.565 -16.096 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -1.646 -2.599 -16.400 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.101 -3.844 -18.159 1.00 0.00 H new ATOM 1200 N ARG B 15 0.541 -3.873 -10.083 1.00 0.00 N ATOM 1201 CA ARG B 15 1.246 -3.468 -8.882 1.00 0.00 C ATOM 1202 C ARG B 15 1.862 -2.093 -9.097 1.00 0.00 C ATOM 1203 O ARG B 15 2.421 -1.832 -10.151 1.00 0.00 O ATOM 1204 CB ARG B 15 2.352 -4.505 -8.568 1.00 0.00 C ATOM 1205 CG ARG B 15 1.802 -5.892 -8.195 1.00 0.00 C ATOM 1206 CD ARG B 15 2.891 -6.949 -8.051 1.00 0.00 C ATOM 1207 NE ARG B 15 2.416 -8.113 -7.281 1.00 0.00 N ATOM 1208 CZ ARG B 15 3.162 -9.161 -6.911 1.00 0.00 C ATOM 1209 NH1 ARG B 15 4.413 -9.296 -7.326 1.00 0.00 N ATOM 1210 NH2 ARG B 15 2.635 -10.092 -6.133 1.00 0.00 N ATOM 0 H ARG B 15 1.075 -3.685 -10.932 1.00 0.00 H new ATOM 0 HA ARG B 15 0.553 -3.418 -8.042 1.00 0.00 H new ATOM 0 HB2 ARG B 15 3.005 -4.603 -9.435 1.00 0.00 H new ATOM 0 HB3 ARG B 15 2.966 -4.133 -7.748 1.00 0.00 H new ATOM 0 HG2 ARG B 15 1.250 -5.817 -7.258 1.00 0.00 H new ATOM 0 HG3 ARG B 15 1.092 -6.212 -8.958 1.00 0.00 H new ATOM 0 HD2 ARG B 15 3.217 -7.274 -9.039 1.00 0.00 H new ATOM 0 HD3 ARG B 15 3.759 -6.514 -7.556 1.00 0.00 H new ATOM 0 HE ARG B 15 1.434 -8.120 -7.006 1.00 0.00 H new ATOM 0 HH11 ARG B 15 4.825 -8.593 -7.940 1.00 0.00 H new ATOM 0 HH12 ARG B 15 4.964 -10.103 -7.032 1.00 0.00 H new ATOM 0 HH21 ARG B 15 1.668 -10.008 -5.820 1.00 0.00 H new ATOM 0 HH22 ARG B 15 3.196 -10.894 -5.846 1.00 0.00 H new ATOM 1224 N PHE B 16 1.768 -1.228 -8.095 1.00 0.00 N ATOM 1225 CA PHE B 16 2.410 0.087 -8.109 1.00 0.00 C ATOM 1226 C PHE B 16 3.319 0.252 -6.889 1.00 0.00 C ATOM 1227 O PHE B 16 3.327 -0.583 -5.969 1.00 0.00 O ATOM 1228 CB PHE B 16 1.353 1.225 -8.215 1.00 0.00 C ATOM 1229 CG PHE B 16 0.211 1.170 -7.205 1.00 0.00 C ATOM 1230 CD1 PHE B 16 -0.959 0.460 -7.492 1.00 0.00 C ATOM 1231 CD2 PHE B 16 0.292 1.843 -5.991 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -2.003 0.422 -6.592 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -0.753 1.805 -5.097 1.00 0.00 C ATOM 1234 CZ PHE B 16 -1.901 1.095 -5.397 1.00 0.00 C ATOM 0 H PHE B 16 1.241 -1.417 -7.242 1.00 0.00 H new ATOM 0 HA PHE B 16 3.039 0.159 -8.996 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.865 2.181 -8.104 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.927 1.206 -9.218 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -1.046 -0.066 -8.431 1.00 0.00 H new ATOM 0 HD2 PHE B 16 1.184 2.401 -5.747 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.899 -0.135 -6.825 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -0.676 2.332 -4.157 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.719 1.069 -4.692 1.00 0.00 H new ATOM 1244 N ARG B 17 4.130 1.317 -6.945 1.00 0.00 N ATOM 1245 CA ARG B 17 5.077 1.709 -5.883 1.00 0.00 C ATOM 1246 C ARG B 17 4.808 3.161 -5.470 1.00 0.00 C ATOM 1247 O ARG B 17 4.216 3.929 -6.238 1.00 0.00 O ATOM 1248 CB ARG B 17 6.548 1.613 -6.402 1.00 0.00 C ATOM 1249 CG ARG B 17 6.914 0.309 -7.112 1.00 0.00 C ATOM 1250 CD ARG B 17 8.366 0.254 -7.608 1.00 0.00 C ATOM 1251 NE ARG B 17 8.617 1.177 -8.736 1.00 0.00 N ATOM 1252 CZ ARG B 17 9.313 0.863 -9.839 1.00 0.00 C ATOM 1253 NH1 ARG B 17 9.834 -0.342 -9.995 1.00 0.00 N ATOM 1254 NH2 ARG B 17 9.485 1.755 -10.790 1.00 0.00 N ATOM 0 H ARG B 17 4.149 1.947 -7.747 1.00 0.00 H new ATOM 0 HA ARG B 17 4.942 1.037 -5.035 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.727 2.442 -7.087 1.00 0.00 H new ATOM 0 HB3 ARG B 17 7.222 1.747 -5.556 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.742 -0.524 -6.431 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.245 0.170 -7.961 1.00 0.00 H new ATOM 0 HD2 ARG B 17 9.037 0.501 -6.785 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.602 -0.764 -7.917 1.00 0.00 H new ATOM 0 HE ARG B 17 8.233 2.120 -8.671 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.709 -1.049 -9.271 1.00 0.00 H new ATOM 0 HH12 ARG B 17 10.361 -0.565 -10.840 1.00 0.00 H new ATOM 0 HH21 ARG B 17 9.089 2.690 -10.690 1.00 0.00 H new ATOM 0 HH22 ARG B 17 10.015 1.512 -11.627 1.00 0.00 H new ATOM 1268 N PHE B 18 5.273 3.536 -4.272 1.00 0.00 N ATOM 1269 CA PHE B 18 5.383 4.945 -3.868 1.00 0.00 C ATOM 1270 C PHE B 18 6.857 5.221 -3.589 1.00 0.00 C ATOM 1271 O PHE B 18 7.540 4.438 -2.902 1.00 0.00 O ATOM 1272 CB PHE B 18 4.511 5.276 -2.637 1.00 0.00 C ATOM 1273 CG PHE B 18 4.479 6.750 -2.222 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.308 7.756 -3.172 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.585 7.124 -0.883 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.252 9.077 -2.795 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.527 8.449 -0.505 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.360 9.425 -1.461 1.00 0.00 C ATOM 0 H PHE B 18 5.582 2.876 -3.558 1.00 0.00 H new ATOM 0 HA PHE B 18 5.012 5.585 -4.669 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.490 4.953 -2.841 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.869 4.688 -1.792 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.218 7.495 -4.216 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.715 6.362 -0.128 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.123 9.845 -3.543 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.612 8.720 0.537 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.313 10.464 -1.169 1.00 0.00 H new ATOM 1288 N LYS B 19 7.338 6.307 -4.176 1.00 0.00 N ATOM 1289 CA LYS B 19 8.745 6.697 -4.139 1.00 0.00 C ATOM 1290 C LYS B 19 8.991 7.761 -3.061 1.00 0.00 C ATOM 1291 O LYS B 19 8.074 8.165 -2.332 1.00 0.00 O ATOM 1292 CB LYS B 19 9.142 7.217 -5.548 1.00 0.00 C ATOM 1293 CG LYS B 19 8.921 6.171 -6.661 1.00 0.00 C ATOM 1294 CD LYS B 19 9.768 4.891 -6.422 1.00 0.00 C ATOM 1295 CE LYS B 19 11.267 5.099 -6.719 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.551 4.974 -8.173 1.00 0.00 N ATOM 0 H LYS B 19 6.753 6.956 -4.702 1.00 0.00 H new ATOM 0 HA LYS B 19 9.363 5.838 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.561 8.111 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.191 7.513 -5.538 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.865 5.905 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.182 6.605 -7.626 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.649 4.571 -5.387 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.386 4.086 -7.051 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.576 6.084 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.855 4.366 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.240 4.210 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.671 4.754 -8.681 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.942 5.870 -8.529 1.00 0.00 H new ATOM 1310 N ALA B 20 10.245 8.210 -2.989 1.00 0.00 N ATOM 1311 CA ALA B 20 10.684 9.320 -2.132 1.00 0.00 C ATOM 1312 C ALA B 20 11.654 10.195 -2.940 1.00 0.00 C ATOM 1313 O ALA B 20 12.115 9.763 -4.002 1.00 0.00 O ATOM 1314 CB ALA B 20 11.305 8.797 -0.831 1.00 0.00 C ATOM 0 H ALA B 20 11.004 7.804 -3.537 1.00 0.00 H new ATOM 0 HA ALA B 20 9.832 9.929 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA B 20 11.622 9.639 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA B 20 10.567 8.206 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.168 8.174 -1.065 1.00 0.00 H new ATOM 1320 N SER B 21 11.911 11.430 -2.465 1.00 0.00 N ATOM 1321 CA SER B 21 12.767 12.428 -3.160 1.00 0.00 C ATOM 1322 C SER B 21 14.169 11.891 -3.556 1.00 0.00 C ATOM 1323 O SER B 21 14.736 12.308 -4.573 1.00 0.00 O ATOM 1324 CB SER B 21 12.920 13.670 -2.269 1.00 0.00 C ATOM 1325 OG SER B 21 13.508 13.333 -1.028 1.00 0.00 O ATOM 0 H SER B 21 11.530 11.771 -1.582 1.00 0.00 H new ATOM 0 HA SER B 21 12.263 12.674 -4.095 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.535 14.413 -2.777 1.00 0.00 H new ATOM 0 HB3 SER B 21 11.944 14.125 -2.102 1.00 0.00 H new ATOM 0 HG SER B 21 13.597 14.140 -0.478 1.00 0.00 H new ATOM 1331 N ASN B 22 14.702 10.948 -2.755 1.00 0.00 N ATOM 1332 CA ASN B 22 16.040 10.344 -2.972 1.00 0.00 C ATOM 1333 C ASN B 22 16.027 9.314 -4.141 1.00 0.00 C ATOM 1334 O ASN B 22 17.078 8.870 -4.596 1.00 0.00 O ATOM 1335 CB ASN B 22 16.505 9.662 -1.653 1.00 0.00 C ATOM 1336 CG ASN B 22 17.960 9.152 -1.669 1.00 0.00 C ATOM 1337 OD1 ASN B 22 18.832 9.744 -2.297 1.00 0.00 O ATOM 1338 ND2 ASN B 22 18.232 8.057 -0.980 1.00 0.00 N ATOM 0 H ASN B 22 14.219 10.580 -1.936 1.00 0.00 H new ATOM 0 HA ASN B 22 16.737 11.134 -3.250 1.00 0.00 H new ATOM 0 HB2 ASN B 22 16.392 10.372 -0.834 1.00 0.00 H new ATOM 0 HB3 ASN B 22 15.843 8.823 -1.441 1.00 0.00 H new ATOM 0 HD21 ASN B 22 19.183 7.688 -0.963 1.00 0.00 H new ATOM 0 HD22 ASN B 22 17.491 7.581 -0.465 1.00 0.00 H new ATOM 1345 N GLY B 23 14.825 8.978 -4.630 1.00 0.00 N ATOM 1346 CA GLY B 23 14.632 7.929 -5.636 1.00 0.00 C ATOM 1347 C GLY B 23 14.695 6.548 -5.021 1.00 0.00 C ATOM 1348 O GLY B 23 15.347 5.640 -5.546 1.00 0.00 O ATOM 0 H GLY B 23 13.958 9.428 -4.337 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.668 8.066 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.396 8.019 -6.408 1.00 0.00 H new ATOM 1352 N GLU B 24 13.992 6.398 -3.896 1.00 0.00 N ATOM 1353 CA GLU B 24 13.922 5.151 -3.128 1.00 0.00 C ATOM 1354 C GLU B 24 12.448 4.765 -2.936 1.00 0.00 C ATOM 1355 O GLU B 24 11.588 5.636 -2.764 1.00 0.00 O ATOM 1356 CB GLU B 24 14.639 5.315 -1.761 1.00 0.00 C ATOM 1357 CG GLU B 24 14.156 6.511 -0.916 1.00 0.00 C ATOM 1358 CD GLU B 24 14.771 6.554 0.486 1.00 0.00 C ATOM 1359 OE1 GLU B 24 15.873 7.113 0.653 1.00 0.00 O ATOM 1360 OE2 GLU B 24 14.163 6.024 1.433 1.00 0.00 O ATOM 0 H GLU B 24 13.445 7.154 -3.485 1.00 0.00 H new ATOM 0 HA GLU B 24 14.430 4.355 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU B 24 14.502 4.401 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU B 24 15.709 5.422 -1.939 1.00 0.00 H new ATOM 0 HG2 GLU B 24 14.397 7.437 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU B 24 13.070 6.469 -0.827 1.00 0.00 H new ATOM 1367 N THR B 25 12.166 3.462 -3.008 1.00 0.00 N ATOM 1368 CA THR B 25 10.821 2.914 -2.808 1.00 0.00 C ATOM 1369 C THR B 25 10.667 2.446 -1.350 1.00 0.00 C ATOM 1370 O THR B 25 11.527 1.744 -0.804 1.00 0.00 O ATOM 1371 CB THR B 25 10.558 1.731 -3.797 1.00 0.00 C ATOM 1372 OG1 THR B 25 10.724 2.176 -5.147 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.160 1.115 -3.640 1.00 0.00 C ATOM 0 H THR B 25 12.870 2.751 -3.208 1.00 0.00 H new ATOM 0 HA THR B 25 10.085 3.692 -3.011 1.00 0.00 H new ATOM 0 HB THR B 25 11.286 0.957 -3.554 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.718 1.403 -5.749 1.00 0.00 H new ATOM 0 HG21 THR B 25 9.039 0.300 -4.354 1.00 0.00 H new ATOM 0 HG22 THR B 25 9.044 0.730 -2.627 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.403 1.877 -3.828 1.00 0.00 H new ATOM 1381 N MET B 26 9.565 2.863 -0.746 1.00 0.00 N ATOM 1382 CA MET B 26 9.242 2.587 0.662 1.00 0.00 C ATOM 1383 C MET B 26 8.089 1.580 0.782 1.00 0.00 C ATOM 1384 O MET B 26 7.911 0.991 1.852 1.00 0.00 O ATOM 1385 CB MET B 26 9.000 3.915 1.429 1.00 0.00 C ATOM 1386 CG MET B 26 8.276 5.011 0.634 1.00 0.00 C ATOM 1387 SD MET B 26 6.658 4.509 0.044 1.00 0.00 S ATOM 1388 CE MET B 26 5.834 4.240 1.596 1.00 0.00 C ATOM 0 H MET B 26 8.851 3.414 -1.222 1.00 0.00 H new ATOM 0 HA MET B 26 10.095 2.106 1.140 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.420 3.697 2.326 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.963 4.305 1.759 1.00 0.00 H new ATOM 0 HG2 MET B 26 8.168 5.895 1.263 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.892 5.299 -0.218 1.00 0.00 H new ATOM 0 HE1 MET B 26 5.041 3.504 1.464 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.551 3.873 2.330 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.404 5.178 1.947 1.00 0.00 H new ATOM 1398 N PHE B 27 7.306 1.385 -0.307 1.00 0.00 N ATOM 1399 CA PHE B 27 6.464 0.183 -0.468 1.00 0.00 C ATOM 1400 C PHE B 27 5.988 -0.003 -1.918 1.00 0.00 C ATOM 1401 O PHE B 27 6.043 0.928 -2.730 1.00 0.00 O ATOM 1402 CB PHE B 27 5.272 0.108 0.543 1.00 0.00 C ATOM 1403 CG PHE B 27 4.122 1.114 0.429 1.00 0.00 C ATOM 1404 CD1 PHE B 27 4.137 2.201 -0.441 1.00 0.00 C ATOM 1405 CD2 PHE B 27 3.015 0.969 1.260 1.00 0.00 C ATOM 1406 CE1 PHE B 27 3.098 3.100 -0.458 1.00 0.00 C ATOM 1407 CE2 PHE B 27 1.980 1.868 1.232 1.00 0.00 C ATOM 1408 CZ PHE B 27 2.031 2.938 0.374 1.00 0.00 C ATOM 0 H PHE B 27 7.243 2.045 -1.082 1.00 0.00 H new ATOM 0 HA PHE B 27 7.115 -0.656 -0.224 1.00 0.00 H new ATOM 0 HB2 PHE B 27 4.841 -0.890 0.467 1.00 0.00 H new ATOM 0 HB3 PHE B 27 5.688 0.200 1.546 1.00 0.00 H new ATOM 0 HD1 PHE B 27 4.974 2.339 -1.109 1.00 0.00 H new ATOM 0 HD2 PHE B 27 2.970 0.132 1.941 1.00 0.00 H new ATOM 0 HE1 PHE B 27 3.127 3.941 -1.135 1.00 0.00 H new ATOM 0 HE2 PHE B 27 1.128 1.735 1.882 1.00 0.00 H new ATOM 0 HZ PHE B 27 1.223 3.654 0.358 1.00 0.00 H new ATOM 1418 N SER B 28 5.476 -1.215 -2.183 1.00 0.00 N ATOM 1419 CA SER B 28 5.167 -1.679 -3.544 1.00 0.00 C ATOM 1420 C SER B 28 4.558 -3.065 -3.535 1.00 0.00 C ATOM 1421 O SER B 28 4.543 -3.718 -2.497 1.00 0.00 O ATOM 1422 CB SER B 28 6.468 -1.731 -4.368 1.00 0.00 C ATOM 1423 OG SER B 28 7.447 -2.545 -3.738 1.00 0.00 O ATOM 0 H SER B 28 5.264 -1.901 -1.459 1.00 0.00 H new ATOM 0 HA SER B 28 4.450 -0.983 -3.980 1.00 0.00 H new ATOM 0 HB2 SER B 28 6.255 -2.120 -5.364 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.860 -0.722 -4.497 1.00 0.00 H new ATOM 0 HG SER B 28 8.260 -2.560 -4.284 1.00 0.00 H new ATOM 1429 N SER B 29 4.102 -3.528 -4.719 1.00 0.00 N ATOM 1430 CA SER B 29 3.780 -4.950 -4.966 1.00 0.00 C ATOM 1431 C SER B 29 2.626 -5.464 -4.092 1.00 0.00 C ATOM 1432 O SER B 29 2.508 -6.670 -3.846 1.00 0.00 O ATOM 1433 CB SER B 29 5.047 -5.827 -4.815 1.00 0.00 C ATOM 1434 OG SER B 29 6.113 -5.331 -5.612 1.00 0.00 O ATOM 0 H SER B 29 3.947 -2.928 -5.529 1.00 0.00 H new ATOM 0 HA SER B 29 3.428 -5.025 -5.995 1.00 0.00 H new ATOM 0 HB2 SER B 29 5.353 -5.852 -3.769 1.00 0.00 H new ATOM 0 HB3 SER B 29 4.819 -6.853 -5.105 1.00 0.00 H new ATOM 0 HG SER B 29 6.901 -5.902 -5.497 1.00 0.00 H new ATOM 1440 N GLU B 30 1.775 -4.524 -3.657 1.00 0.00 N ATOM 1441 CA GLU B 30 0.505 -4.804 -2.998 1.00 0.00 C ATOM 1442 C GLU B 30 -0.364 -5.777 -3.830 1.00 0.00 C ATOM 1443 O GLU B 30 -1.041 -6.638 -3.250 1.00 0.00 O ATOM 1444 CB GLU B 30 -0.252 -3.469 -2.666 1.00 0.00 C ATOM 1445 CG GLU B 30 0.005 -2.260 -3.604 1.00 0.00 C ATOM 1446 CD GLU B 30 -0.213 -2.567 -5.084 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -1.378 -2.660 -5.533 1.00 0.00 O ATOM 1448 OE2 GLU B 30 0.789 -2.775 -5.795 1.00 0.00 O ATOM 0 H GLU B 30 1.961 -3.526 -3.759 1.00 0.00 H new ATOM 0 HA GLU B 30 0.715 -5.306 -2.053 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -1.322 -3.677 -2.668 1.00 0.00 H new ATOM 0 HB3 GLU B 30 0.014 -3.173 -1.651 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -0.652 -1.441 -3.313 1.00 0.00 H new ATOM 0 HG3 GLU B 30 1.029 -1.914 -3.462 1.00 0.00 H new ATOM 1455 N GLY B 31 -0.308 -5.657 -5.183 1.00 0.00 N ATOM 1456 CA GLY B 31 -0.944 -6.615 -6.073 1.00 0.00 C ATOM 1457 C GLY B 31 -2.446 -6.603 -5.951 1.00 0.00 C ATOM 1458 O GLY B 31 -3.038 -7.655 -5.698 1.00 0.00 O ATOM 0 H GLY B 31 0.176 -4.899 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -0.664 -6.392 -7.103 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -0.572 -7.615 -5.851 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.073 -5.418 -6.123 1.00 0.00 N ATOM 1463 CA TYR B 32 -4.485 -5.235 -5.776 1.00 0.00 C ATOM 1464 C TYR B 32 -5.360 -6.038 -6.763 1.00 0.00 C ATOM 1465 O TYR B 32 -6.062 -6.964 -6.337 1.00 0.00 O ATOM 1466 CB TYR B 32 -4.871 -3.732 -5.724 1.00 0.00 C ATOM 1467 CG TYR B 32 -6.289 -3.503 -5.175 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -6.619 -3.924 -3.883 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -7.289 -2.897 -5.933 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -7.888 -3.750 -3.378 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -8.560 -2.716 -5.426 1.00 0.00 C ATOM 1472 CZ TYR B 32 -8.852 -3.143 -4.152 1.00 0.00 C ATOM 1473 OH TYR B 32 -10.122 -2.974 -3.651 1.00 0.00 O ATOM 0 H TYR B 32 -2.620 -4.584 -6.498 1.00 0.00 H new ATOM 0 HA TYR B 32 -4.662 -5.620 -4.772 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -4.154 -3.198 -5.101 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -4.801 -3.308 -6.726 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -5.864 -4.394 -3.270 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -7.065 -2.563 -6.935 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -8.126 -4.088 -2.380 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -9.321 -2.241 -6.027 1.00 0.00 H new ATOM 0 HH TYR B 32 -10.681 -2.529 -4.321 1.00 0.00 H new ATOM 1483 N LYS B 33 -5.304 -5.676 -8.073 1.00 0.00 N ATOM 1484 CA LYS B 33 -5.795 -6.542 -9.169 1.00 0.00 C ATOM 1485 C LYS B 33 -5.440 -5.978 -10.557 1.00 0.00 C ATOM 1486 O LYS B 33 -4.545 -6.492 -11.237 1.00 0.00 O ATOM 1487 CB LYS B 33 -7.331 -6.845 -9.074 1.00 0.00 C ATOM 1488 CG LYS B 33 -7.904 -7.789 -10.176 1.00 0.00 C ATOM 1489 CD LYS B 33 -7.030 -9.051 -10.443 1.00 0.00 C ATOM 1490 CE LYS B 33 -6.810 -9.948 -9.206 1.00 0.00 C ATOM 1491 NZ LYS B 33 -5.690 -10.903 -9.413 1.00 0.00 N ATOM 0 H LYS B 33 -4.921 -4.786 -8.392 1.00 0.00 H new ATOM 0 HA LYS B 33 -5.273 -7.491 -9.043 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -7.535 -7.288 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -7.872 -5.900 -9.114 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -8.905 -8.107 -9.884 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.007 -7.227 -11.104 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -7.500 -9.644 -11.228 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -6.059 -8.732 -10.823 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -6.601 -9.325 -8.337 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -7.724 -10.500 -8.990 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -5.768 -11.683 -8.730 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -5.733 -11.284 -10.380 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -4.784 -10.411 -9.274 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.159 -4.933 -10.972 1.00 0.00 N ATOM 1506 CA ALA B 34 -6.135 -4.431 -12.364 1.00 0.00 C ATOM 1507 C ALA B 34 -5.736 -2.969 -12.363 1.00 0.00 C ATOM 1508 O ALA B 34 -5.644 -2.379 -11.296 1.00 0.00 O ATOM 1509 CB ALA B 34 -7.509 -4.645 -13.007 1.00 0.00 C ATOM 0 H ALA B 34 -6.778 -4.404 -10.358 1.00 0.00 H new ATOM 0 HA ALA B 34 -5.401 -4.980 -12.953 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -7.492 -4.276 -14.032 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.748 -5.708 -13.008 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -8.265 -4.104 -12.438 1.00 0.00 H new ATOM 1515 N LYS B 35 -5.488 -2.376 -13.543 1.00 0.00 N ATOM 1516 CA LYS B 35 -5.051 -0.974 -13.667 1.00 0.00 C ATOM 1517 C LYS B 35 -6.158 -0.008 -13.201 1.00 0.00 C ATOM 1518 O LYS B 35 -5.883 0.917 -12.449 1.00 0.00 O ATOM 1519 CB LYS B 35 -4.675 -0.719 -15.141 1.00 0.00 C ATOM 1520 CG LYS B 35 -4.187 0.695 -15.511 1.00 0.00 C ATOM 1521 CD LYS B 35 -4.476 1.018 -17.001 1.00 0.00 C ATOM 1522 CE LYS B 35 -3.547 2.067 -17.586 1.00 0.00 C ATOM 1523 NZ LYS B 35 -2.166 1.550 -17.669 1.00 0.00 N ATOM 0 H LYS B 35 -5.585 -2.855 -14.438 1.00 0.00 H new ATOM 0 HA LYS B 35 -4.186 -0.795 -13.028 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -3.895 -1.428 -15.418 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -5.546 -0.947 -15.756 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -4.680 1.430 -14.875 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -3.117 0.774 -15.320 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -4.391 0.102 -17.586 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -5.506 1.363 -17.096 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -3.894 2.355 -18.579 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -3.568 2.965 -16.968 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -1.494 2.337 -17.569 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -2.007 0.861 -16.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -2.023 1.087 -18.589 1.00 0.00 H new ATOM 1537 N ALA B 36 -7.413 -0.257 -13.631 1.00 0.00 N ATOM 1538 CA ALA B 36 -8.593 0.520 -13.172 1.00 0.00 C ATOM 1539 C ALA B 36 -8.706 0.498 -11.634 1.00 0.00 C ATOM 1540 O ALA B 36 -8.951 1.528 -10.997 1.00 0.00 O ATOM 1541 CB ALA B 36 -9.876 -0.010 -13.828 1.00 0.00 C ATOM 0 H ALA B 36 -7.640 -0.994 -14.299 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.458 1.557 -13.479 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -10.730 0.571 -13.480 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -9.794 0.079 -14.911 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -10.016 -1.057 -13.559 1.00 0.00 H new ATOM 1547 N SER B 37 -8.444 -0.684 -11.053 1.00 0.00 N ATOM 1548 CA SER B 37 -8.435 -0.895 -9.596 1.00 0.00 C ATOM 1549 C SER B 37 -7.205 -0.236 -8.946 1.00 0.00 C ATOM 1550 O SER B 37 -7.269 0.200 -7.795 1.00 0.00 O ATOM 1551 CB SER B 37 -8.431 -2.409 -9.306 1.00 0.00 C ATOM 1552 OG SER B 37 -9.469 -3.059 -10.004 1.00 0.00 O ATOM 0 H SER B 37 -8.231 -1.527 -11.586 1.00 0.00 H new ATOM 0 HA SER B 37 -9.327 -0.435 -9.171 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.471 -2.836 -9.595 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.546 -2.578 -8.235 1.00 0.00 H new ATOM 0 HG SER B 37 -9.446 -4.018 -9.806 1.00 0.00 H new ATOM 1558 N ALA B 38 -6.094 -0.174 -9.709 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.808 0.357 -9.238 1.00 0.00 C ATOM 1560 C ALA B 38 -4.897 1.871 -8.999 1.00 0.00 C ATOM 1561 O ALA B 38 -4.576 2.342 -7.910 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.684 0.022 -10.232 1.00 0.00 C ATOM 0 H ALA B 38 -6.069 -0.495 -10.677 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.571 -0.120 -8.287 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.740 0.425 -9.864 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.601 -1.060 -10.336 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.913 0.463 -11.202 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.329 2.623 -10.037 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.577 4.075 -9.935 1.00 0.00 C ATOM 1570 C ILE B 39 -6.596 4.380 -8.817 1.00 0.00 C ATOM 1571 O ILE B 39 -6.346 5.260 -8.001 1.00 0.00 O ATOM 1572 CB ILE B 39 -6.067 4.708 -11.309 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.907 4.827 -12.364 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.732 6.092 -11.103 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.427 3.527 -12.977 1.00 0.00 C ATOM 0 H ILE B 39 -5.514 2.240 -10.964 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.622 4.538 -9.686 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.813 4.018 -11.703 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.241 5.483 -13.168 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -4.058 5.315 -11.886 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -7.052 6.489 -12.066 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.597 5.986 -10.449 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -6.015 6.776 -10.649 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.627 3.734 -13.688 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -4.053 2.870 -12.191 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.255 3.041 -13.493 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.723 3.628 -8.785 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.789 3.812 -7.763 1.00 0.00 C ATOM 1589 C HIS B 40 -8.226 3.680 -6.333 1.00 0.00 C ATOM 1590 O HIS B 40 -8.581 4.468 -5.437 1.00 0.00 O ATOM 1591 CB HIS B 40 -9.964 2.820 -7.988 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.908 3.207 -9.106 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -12.230 2.819 -9.140 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -10.716 3.956 -10.224 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -12.807 3.314 -10.217 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -11.911 4.005 -10.892 1.00 0.00 N ATOM 0 H HIS B 40 -7.920 2.886 -9.456 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.177 4.824 -7.877 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.554 1.833 -8.202 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.533 2.735 -7.062 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -9.792 4.425 -10.529 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -13.840 3.176 -10.499 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -12.080 4.497 -11.770 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.318 2.711 -6.140 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.581 2.545 -4.885 1.00 0.00 C ATOM 1607 C ALA B 41 -5.780 3.816 -4.569 1.00 0.00 C ATOM 1608 O ALA B 41 -5.943 4.416 -3.510 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.667 1.310 -4.975 1.00 0.00 C ATOM 0 H ALA B 41 -7.076 2.022 -6.852 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.286 2.385 -4.069 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.122 1.192 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.272 0.422 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.959 1.440 -5.793 1.00 0.00 H new ATOM 1615 N ILE B 42 -4.985 4.267 -5.538 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.180 5.486 -5.407 1.00 0.00 C ATOM 1617 C ILE B 42 -5.058 6.731 -5.139 1.00 0.00 C ATOM 1618 O ILE B 42 -4.629 7.656 -4.451 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.296 5.703 -6.675 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.367 4.468 -6.884 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.469 7.008 -6.568 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.701 4.398 -8.231 1.00 0.00 C ATOM 0 H ILE B 42 -4.879 3.799 -6.438 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.528 5.352 -4.544 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.949 5.805 -7.542 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.596 4.477 -6.114 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.954 3.561 -6.737 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.864 7.130 -7.467 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.143 7.859 -6.466 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.817 6.955 -5.696 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.076 3.506 -8.282 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.461 4.353 -9.011 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -1.082 5.283 -8.377 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.312 6.706 -5.621 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.248 7.824 -5.435 1.00 0.00 C ATOM 1636 C GLU B 43 -7.629 7.967 -3.960 1.00 0.00 C ATOM 1637 O GLU B 43 -7.841 9.087 -3.498 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.500 7.690 -6.330 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.196 7.854 -7.836 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.452 7.920 -8.712 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -9.991 6.858 -9.080 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -9.917 9.035 -9.028 1.00 0.00 O ATOM 0 H GLU B 43 -6.700 5.921 -6.144 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.737 8.735 -5.747 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -8.955 6.714 -6.163 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.234 8.439 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.612 8.763 -7.983 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.576 7.020 -8.166 1.00 0.00 H new ATOM 1649 N SER B 44 -7.671 6.835 -3.220 1.00 0.00 N ATOM 1650 CA SER B 44 -7.830 6.851 -1.748 1.00 0.00 C ATOM 1651 C SER B 44 -6.713 7.650 -1.065 1.00 0.00 C ATOM 1652 O SER B 44 -6.964 8.375 -0.086 1.00 0.00 O ATOM 1653 CB SER B 44 -7.823 5.416 -1.188 1.00 0.00 C ATOM 1654 OG SER B 44 -9.037 4.737 -1.475 1.00 0.00 O ATOM 0 H SER B 44 -7.597 5.899 -3.619 1.00 0.00 H new ATOM 0 HA SER B 44 -8.786 7.330 -1.537 1.00 0.00 H new ATOM 0 HB2 SER B 44 -6.986 4.863 -1.614 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.669 5.446 -0.109 1.00 0.00 H new ATOM 0 HG SER B 44 -9.429 4.401 -0.642 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.482 7.505 -1.594 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.296 8.123 -0.999 1.00 0.00 C ATOM 1662 C ILE B 45 -4.403 9.649 -1.146 1.00 0.00 C ATOM 1663 O ILE B 45 -4.141 10.407 -0.207 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.928 7.609 -1.637 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -3.001 6.128 -2.115 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.802 7.717 -0.607 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -3.124 5.110 -1.012 1.00 0.00 C ATOM 0 H ILE B 45 -5.290 6.962 -2.436 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.270 7.834 0.052 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.737 8.240 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.853 6.020 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -2.107 5.905 -2.697 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.870 7.364 -1.049 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.688 8.757 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -2.045 7.107 0.263 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.168 4.110 -1.443 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -2.260 5.183 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -4.033 5.299 -0.442 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.849 10.079 -2.337 1.00 0.00 N ATOM 1680 CA LYS B 46 -4.975 11.511 -2.702 1.00 0.00 C ATOM 1681 C LYS B 46 -5.928 12.295 -1.791 1.00 0.00 C ATOM 1682 O LYS B 46 -5.788 13.510 -1.630 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.433 11.682 -4.189 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.808 10.715 -5.237 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.296 10.426 -5.043 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.432 11.675 -4.997 1.00 0.00 C ATOM 1687 NZ LYS B 46 -2.466 12.440 -6.261 1.00 0.00 N ATOM 0 H LYS B 46 -5.136 9.444 -3.082 1.00 0.00 H new ATOM 0 HA LYS B 46 -3.976 11.927 -2.570 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.516 11.566 -4.225 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -5.211 12.704 -4.496 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.350 9.770 -5.206 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -4.957 11.135 -6.232 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -3.159 9.867 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -2.951 9.787 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.769 12.315 -4.181 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.403 11.392 -4.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.503 12.518 -6.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -3.075 11.950 -6.947 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -2.844 13.392 -6.081 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.880 11.579 -1.210 1.00 0.00 N ATOM 1702 CA ARG B 47 -7.984 12.176 -0.428 1.00 0.00 C ATOM 1703 C ARG B 47 -7.510 12.768 0.915 1.00 0.00 C ATOM 1704 O ARG B 47 -7.802 13.933 1.220 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.122 11.139 -0.203 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.763 10.612 -1.507 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.263 11.746 -2.427 1.00 0.00 C ATOM 1708 NE ARG B 47 -10.773 11.251 -3.716 1.00 0.00 N ATOM 1709 CZ ARG B 47 -10.905 11.989 -4.831 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -10.492 13.253 -4.865 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -11.429 11.447 -5.919 1.00 0.00 N ATOM 0 H ARG B 47 -6.920 10.561 -1.261 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.374 13.006 -1.017 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.724 10.295 0.360 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.898 11.595 0.412 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -9.034 10.007 -2.046 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.598 9.957 -1.258 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -11.052 12.300 -1.918 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -9.448 12.447 -2.609 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.048 10.270 -3.767 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.069 13.674 -4.038 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -10.598 13.802 -5.718 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -11.731 10.473 -5.909 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -11.531 12.004 -6.768 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.744 11.973 1.695 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.417 12.339 3.106 1.00 0.00 C ATOM 1727 C ASN B 48 -5.357 11.410 3.738 1.00 0.00 C ATOM 1728 O ASN B 48 -5.223 11.386 4.955 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.719 12.378 3.983 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.610 13.227 5.264 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -7.206 12.748 6.328 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -7.982 14.494 5.172 1.00 0.00 N ATOM 0 H ASN B 48 -6.343 11.088 1.386 1.00 0.00 H new ATOM 0 HA ASN B 48 -5.978 13.336 3.078 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.538 12.765 3.376 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -7.983 11.358 4.261 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -7.939 15.099 5.992 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -8.312 14.865 4.281 1.00 0.00 H new ATOM 1739 N SER B 49 -4.597 10.655 2.931 1.00 0.00 N ATOM 1740 CA SER B 49 -3.606 9.680 3.466 1.00 0.00 C ATOM 1741 C SER B 49 -2.510 10.369 4.303 1.00 0.00 C ATOM 1742 O SER B 49 -2.052 9.830 5.315 1.00 0.00 O ATOM 1743 CB SER B 49 -2.934 8.939 2.332 1.00 0.00 C ATOM 1744 OG SER B 49 -2.114 9.833 1.579 1.00 0.00 O ATOM 0 H SER B 49 -4.641 10.692 1.913 1.00 0.00 H new ATOM 0 HA SER B 49 -4.159 8.991 4.104 1.00 0.00 H new ATOM 0 HB2 SER B 49 -2.328 8.124 2.728 1.00 0.00 H new ATOM 0 HB3 SER B 49 -3.687 8.490 1.684 1.00 0.00 H new ATOM 0 HG SER B 49 -2.636 10.212 0.841 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.088 11.558 3.839 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.130 12.410 4.545 1.00 0.00 C ATOM 1752 C ALA B 50 -1.665 12.882 5.920 1.00 0.00 C ATOM 1753 O ALA B 50 -0.880 13.198 6.825 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.734 13.587 3.645 1.00 0.00 C ATOM 0 H ALA B 50 -2.408 11.953 2.955 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.239 11.821 4.763 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -0.021 14.222 4.170 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.278 13.208 2.730 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.621 14.168 3.395 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.999 12.924 6.062 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.654 13.215 7.346 1.00 0.00 C ATOM 1762 C GLY B 51 -4.131 11.963 8.088 1.00 0.00 C ATOM 1763 O GLY B 51 -4.479 12.046 9.271 1.00 0.00 O ATOM 0 H GLY B 51 -3.650 12.758 5.295 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.959 13.762 7.983 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.507 13.870 7.169 1.00 0.00 H new ATOM 1767 N ALA B 52 -4.134 10.807 7.399 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.660 9.531 7.932 1.00 0.00 C ATOM 1769 C ALA B 52 -3.790 9.013 9.085 1.00 0.00 C ATOM 1770 O ALA B 52 -2.572 9.071 9.004 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.726 8.491 6.809 1.00 0.00 C ATOM 0 H ALA B 52 -3.769 10.729 6.450 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.663 9.707 8.322 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -5.114 7.552 7.205 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.384 8.851 6.018 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.727 8.329 6.404 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.423 8.486 10.145 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.695 8.017 11.349 1.00 0.00 C ATOM 1779 C ASP B 53 -2.871 6.742 11.048 1.00 0.00 C ATOM 1780 O ASP B 53 -3.101 6.061 10.047 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.700 7.780 12.510 1.00 0.00 C ATOM 1782 CG ASP B 53 -4.037 7.415 13.861 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -3.014 8.041 14.229 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -4.539 6.515 14.563 1.00 0.00 O ATOM 0 H ASP B 53 -5.435 8.371 10.199 1.00 0.00 H new ATOM 0 HA ASP B 53 -2.987 8.789 11.652 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.301 8.680 12.645 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.383 6.980 12.226 1.00 0.00 H new ATOM 1789 N THR B 54 -1.870 6.464 11.887 1.00 0.00 N ATOM 1790 CA THR B 54 -1.031 5.264 11.770 1.00 0.00 C ATOM 1791 C THR B 54 -1.256 4.362 13.006 1.00 0.00 C ATOM 1792 O THR B 54 -0.764 4.655 14.100 1.00 0.00 O ATOM 1793 CB THR B 54 0.472 5.678 11.617 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.592 6.670 10.571 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.388 4.487 11.288 1.00 0.00 C ATOM 0 H THR B 54 -1.616 7.066 12.670 1.00 0.00 H new ATOM 0 HA THR B 54 -1.307 4.697 10.881 1.00 0.00 H new ATOM 0 HB THR B 54 0.793 6.082 12.577 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.531 6.932 10.475 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.417 4.834 11.194 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.326 3.749 12.087 1.00 0.00 H new ATOM 0 HG23 THR B 54 1.071 4.033 10.349 1.00 0.00 H new ATOM 1803 N VAL B 55 -2.056 3.298 12.816 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.449 2.343 13.878 1.00 0.00 C ATOM 1805 C VAL B 55 -1.633 1.042 13.730 1.00 0.00 C ATOM 1806 O VAL B 55 -1.617 0.452 12.649 1.00 0.00 O ATOM 1807 CB VAL B 55 -3.988 2.000 13.783 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.429 0.983 14.857 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.856 3.274 13.833 1.00 0.00 C ATOM 0 H VAL B 55 -2.457 3.070 11.906 1.00 0.00 H new ATOM 0 HA VAL B 55 -2.249 2.804 14.845 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.143 1.527 12.813 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.495 0.780 14.750 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.869 0.056 14.732 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -4.236 1.394 15.848 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.909 3.000 13.765 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.677 3.799 14.771 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.596 3.924 12.998 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.969 0.605 14.816 1.00 0.00 N ATOM 1820 CA ASP B 56 -0.174 -0.646 14.830 1.00 0.00 C ATOM 1821 C ASP B 56 -0.900 -1.749 15.637 1.00 0.00 C ATOM 1822 O ASP B 56 -1.207 -1.574 16.814 1.00 0.00 O ATOM 1823 CB ASP B 56 1.238 -0.378 15.410 1.00 0.00 C ATOM 1824 CG ASP B 56 2.193 -1.592 15.303 1.00 0.00 C ATOM 1825 OD1 ASP B 56 2.030 -2.559 16.077 1.00 0.00 O ATOM 1826 OD2 ASP B 56 3.099 -1.584 14.451 1.00 0.00 O ATOM 0 H ASP B 56 -0.965 1.103 15.706 1.00 0.00 H new ATOM 0 HA ASP B 56 -0.065 -0.998 13.804 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.681 0.470 14.887 1.00 0.00 H new ATOM 0 HB3 ASP B 56 1.143 -0.092 16.458 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.176 -2.871 14.964 1.00 0.00 N ATOM 1832 CA LEU B 57 -1.810 -4.075 15.546 1.00 0.00 C ATOM 1833 C LEU B 57 -0.775 -5.155 15.952 1.00 0.00 C ATOM 1834 O LEU B 57 -1.073 -5.976 16.828 1.00 0.00 O ATOM 1835 CB LEU B 57 -2.807 -4.720 14.529 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.004 -3.848 14.004 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -4.805 -3.220 15.151 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -3.550 -2.779 13.000 1.00 0.00 C ATOM 0 H LEU B 57 -0.962 -2.977 13.972 1.00 0.00 H new ATOM 0 HA LEU B 57 -2.334 -3.737 16.440 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.232 -5.051 13.664 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.225 -5.613 14.994 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.667 -4.531 13.473 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -5.622 -2.626 14.742 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -5.211 -4.008 15.785 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.152 -2.579 15.743 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.413 -2.203 12.667 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -2.832 -2.113 13.478 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -3.082 -3.261 12.142 1.00 0.00 H new ATOM 1850 N THR B 58 0.429 -5.154 15.331 1.00 0.00 N ATOM 1851 CA THR B 58 1.360 -6.314 15.412 1.00 0.00 C ATOM 1852 C THR B 58 2.130 -6.369 16.733 1.00 0.00 C ATOM 1853 O THR B 58 2.440 -7.458 17.219 1.00 0.00 O ATOM 1854 CB THR B 58 2.369 -6.382 14.213 1.00 0.00 C ATOM 1855 OG1 THR B 58 3.284 -7.484 14.362 1.00 0.00 O ATOM 1856 CG2 THR B 58 3.156 -5.089 13.997 1.00 0.00 C ATOM 0 H THR B 58 0.779 -4.374 14.774 1.00 0.00 H new ATOM 0 HA THR B 58 0.709 -7.187 15.356 1.00 0.00 H new ATOM 0 HB THR B 58 1.751 -6.533 13.328 1.00 0.00 H new ATOM 0 HG1 THR B 58 4.130 -7.270 13.915 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.833 -5.212 13.151 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.464 -4.272 13.792 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.733 -4.860 14.893 1.00 0.00 H new ATOM 1864 N THR B 59 2.410 -5.210 17.339 1.00 0.00 N ATOM 1865 CA THR B 59 3.207 -5.148 18.580 1.00 0.00 C ATOM 1866 C THR B 59 2.246 -5.132 19.782 1.00 0.00 C ATOM 1867 O THR B 59 2.659 -5.332 20.927 1.00 0.00 O ATOM 1868 CB THR B 59 4.162 -3.907 18.601 1.00 0.00 C ATOM 1869 OG1 THR B 59 3.401 -2.687 18.615 1.00 0.00 O ATOM 1870 CG2 THR B 59 5.103 -3.904 17.377 1.00 0.00 C ATOM 0 H THR B 59 2.100 -4.301 16.995 1.00 0.00 H new ATOM 0 HA THR B 59 3.848 -6.028 18.633 1.00 0.00 H new ATOM 0 HB THR B 59 4.764 -3.973 19.507 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.902 -2.603 17.776 1.00 0.00 H new ATOM 0 HG21 THR B 59 5.753 -3.030 17.420 1.00 0.00 H new ATOM 0 HG22 THR B 59 5.710 -4.809 17.383 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.511 -3.870 16.463 1.00 0.00 H new