USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 THR OG1 : rot 180:sc= -0.418 USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 1 MET CE :methyl -142:sc= -0.0549 (180deg=-0.438) USER MOD Single : A 1 MET N :NH3+ -101:sc= -0.0223 (180deg=-2.26!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 161:sc= -1.1! USER MOD Single : A 14 SER OG : rot 180:sc= -0.318 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -142:sc= -3.54! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 15:sc= -3.52! USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 31 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0361) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 72:sc= -4.81! USER MOD Single : A 58 HIS : no HE2:sc= -2.26 X(o=-2.3,f=-2.6!) USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= -0.445 (180deg=-0.949) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 169:sc= -0.27! (180deg=-0.613!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.566 K(o=-0.57,f=-8.9!) USER MOD Single : A 87 GLN : amide:sc= -6.18! C(o=-6.2!,f=-16!) USER MOD Single : A 88 LYS NZ :NH3+ -151:sc= 0.263 (180deg=0.0349) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.062 -12.579 12.457 1.00 0.00 N ATOM 2 CA MET A 1 -1.743 -12.279 11.031 1.00 0.00 C ATOM 3 C MET A 1 -2.764 -11.317 10.446 1.00 0.00 C ATOM 4 O MET A 1 -3.941 -11.413 10.729 1.00 0.00 O ATOM 5 CB MET A 1 -1.864 -13.613 10.294 1.00 0.00 C ATOM 6 CG MET A 1 -3.184 -14.284 10.674 1.00 0.00 C ATOM 7 SD MET A 1 -2.851 -15.763 11.663 1.00 0.00 S ATOM 8 CE MET A 1 -2.144 -16.770 10.336 1.00 0.00 C ATOM 0 H1 MET A 1 -1.445 -12.016 13.077 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.056 -12.339 12.648 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.908 -13.591 12.642 1.00 0.00 H new ATOM 0 HA MET A 1 -0.755 -11.828 10.940 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.822 -13.451 9.217 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.026 -14.261 10.552 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.807 -13.590 11.238 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.739 -14.553 9.775 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.468 -17.804 10.452 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.482 -16.390 9.372 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.056 -16.723 10.384 1.00 0.00 H new ATOM 20 N LYS A 2 -2.338 -10.421 9.595 1.00 0.00 N ATOM 21 CA LYS A 2 -3.317 -9.501 8.950 1.00 0.00 C ATOM 22 C LYS A 2 -4.511 -10.335 8.509 1.00 0.00 C ATOM 23 O LYS A 2 -4.451 -10.977 7.485 1.00 0.00 O ATOM 24 CB LYS A 2 -2.619 -8.925 7.707 1.00 0.00 C ATOM 25 CG LYS A 2 -1.198 -8.464 8.054 1.00 0.00 C ATOM 26 CD LYS A 2 -1.203 -7.733 9.398 1.00 0.00 C ATOM 27 CE LYS A 2 0.229 -7.353 9.778 1.00 0.00 C ATOM 28 NZ LYS A 2 0.161 -6.987 11.220 1.00 0.00 N ATOM 0 H LYS A 2 -1.364 -10.288 9.321 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.645 -8.706 9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.581 -9.680 6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.194 -8.086 7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.528 -9.323 8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.819 -7.805 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.823 -6.839 9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.638 -8.369 10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.915 -8.184 9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.589 -6.519 9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.107 -6.714 11.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.494 -6.189 11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.178 -7.802 11.769 1.00 0.00 H new ATOM 42 N THR A 3 -5.562 -10.340 9.299 1.00 0.00 N ATOM 43 CA THR A 3 -6.802 -11.151 8.999 1.00 0.00 C ATOM 44 C THR A 3 -6.602 -12.009 7.753 1.00 0.00 C ATOM 45 O THR A 3 -6.433 -13.207 7.835 1.00 0.00 O ATOM 46 CB THR A 3 -7.882 -10.097 8.751 1.00 0.00 C ATOM 47 OG1 THR A 3 -8.416 -9.665 9.994 1.00 0.00 O ATOM 48 CG2 THR A 3 -9.002 -10.681 7.888 1.00 0.00 C ATOM 0 H THR A 3 -5.618 -9.802 10.164 1.00 0.00 H new ATOM 0 HA THR A 3 -7.056 -11.838 9.807 1.00 0.00 H new ATOM 0 HB THR A 3 -7.438 -9.250 8.228 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.107 -8.988 9.836 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.765 -9.921 7.719 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.593 -11.004 6.931 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.448 -11.535 8.399 1.00 0.00 H new ATOM 56 N ALA A 4 -6.573 -11.386 6.611 1.00 0.00 N ATOM 57 CA ALA A 4 -6.320 -12.134 5.354 1.00 0.00 C ATOM 58 C ALA A 4 -5.005 -12.892 5.491 1.00 0.00 C ATOM 59 O ALA A 4 -3.988 -12.425 5.036 1.00 0.00 O ATOM 60 CB ALA A 4 -6.152 -11.044 4.317 1.00 0.00 C ATOM 0 H ALA A 4 -6.715 -10.383 6.495 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.107 -12.846 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.959 -11.495 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.062 -10.447 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.313 -10.405 4.594 1.00 0.00 H new ATOM 66 N TYR A 5 -5.019 -14.034 6.137 1.00 0.00 N ATOM 67 CA TYR A 5 -3.758 -14.828 6.350 1.00 0.00 C ATOM 68 C TYR A 5 -2.530 -13.912 6.274 1.00 0.00 C ATOM 69 O TYR A 5 -1.563 -14.193 5.597 1.00 0.00 O ATOM 70 CB TYR A 5 -3.721 -15.922 5.266 1.00 0.00 C ATOM 71 CG TYR A 5 -4.039 -15.362 3.899 1.00 0.00 C ATOM 72 CD1 TYR A 5 -5.314 -14.860 3.623 1.00 0.00 C ATOM 73 CD2 TYR A 5 -3.056 -15.364 2.900 1.00 0.00 C ATOM 74 CE1 TYR A 5 -5.606 -14.353 2.356 1.00 0.00 C ATOM 75 CE2 TYR A 5 -3.352 -14.862 1.626 1.00 0.00 C ATOM 76 CZ TYR A 5 -4.628 -14.353 1.357 1.00 0.00 C ATOM 77 OH TYR A 5 -4.923 -13.858 0.105 1.00 0.00 O ATOM 0 H TYR A 5 -5.859 -14.458 6.532 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.744 -15.286 7.339 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.735 -16.385 5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.437 -16.705 5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -6.074 -14.864 4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.071 -15.752 3.112 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.590 -13.960 2.147 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.598 -14.868 0.853 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.091 -13.652 -0.370 1.00 0.00 H new ATOM 87 N ASP A 6 -2.600 -12.807 6.973 1.00 0.00 N ATOM 88 CA ASP A 6 -1.487 -11.813 6.991 1.00 0.00 C ATOM 89 C ASP A 6 -1.289 -11.166 5.611 1.00 0.00 C ATOM 90 O ASP A 6 -0.203 -11.124 5.070 1.00 0.00 O ATOM 91 CB ASP A 6 -0.259 -12.581 7.474 1.00 0.00 C ATOM 92 CG ASP A 6 1.015 -11.790 7.172 1.00 0.00 C ATOM 93 OD1 ASP A 6 0.992 -10.582 7.341 1.00 0.00 O ATOM 94 OD2 ASP A 6 1.992 -12.405 6.778 1.00 0.00 O ATOM 0 H ASP A 6 -3.403 -12.548 7.546 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.697 -10.975 7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.335 -12.765 8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.215 -13.554 6.986 1.00 0.00 H new ATOM 99 N VAL A 7 -2.349 -10.634 5.054 1.00 0.00 N ATOM 100 CA VAL A 7 -2.253 -9.954 3.730 1.00 0.00 C ATOM 101 C VAL A 7 -3.015 -8.621 3.789 1.00 0.00 C ATOM 102 O VAL A 7 -2.783 -7.798 4.653 1.00 0.00 O ATOM 103 CB VAL A 7 -2.922 -10.883 2.719 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.472 -10.480 1.319 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.549 -12.339 2.976 1.00 0.00 C ATOM 0 H VAL A 7 -3.283 -10.643 5.465 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.218 -9.750 3.456 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.004 -10.792 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.941 -11.134 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.765 -9.448 1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.388 -10.570 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.040 -12.976 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.469 -12.458 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.871 -12.626 3.977 1.00 0.00 H new ATOM 115 N ILE A 8 -3.933 -8.409 2.881 1.00 0.00 N ATOM 116 CA ILE A 8 -4.723 -7.151 2.875 1.00 0.00 C ATOM 117 C ILE A 8 -5.450 -6.973 4.212 1.00 0.00 C ATOM 118 O ILE A 8 -5.771 -7.931 4.886 1.00 0.00 O ATOM 119 CB ILE A 8 -5.720 -7.359 1.738 1.00 0.00 C ATOM 120 CG1 ILE A 8 -4.969 -7.794 0.482 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.450 -6.053 1.446 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.572 -9.094 -0.041 1.00 0.00 C ATOM 0 H ILE A 8 -4.168 -9.065 2.136 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.110 -6.260 2.740 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.440 -8.124 2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.032 -7.018 -0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.912 -7.935 0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.160 -6.207 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.984 -5.727 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.728 -5.289 1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.038 -9.408 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.486 -9.868 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.624 -8.937 -0.281 1.00 0.00 H new ATOM 134 N LEU A 9 -5.708 -5.753 4.601 1.00 0.00 N ATOM 135 CA LEU A 9 -6.412 -5.521 5.896 1.00 0.00 C ATOM 136 C LEU A 9 -7.551 -4.510 5.714 1.00 0.00 C ATOM 137 O LEU A 9 -8.627 -4.852 5.267 1.00 0.00 O ATOM 138 CB LEU A 9 -5.339 -4.969 6.836 1.00 0.00 C ATOM 139 CG LEU A 9 -4.393 -6.095 7.250 1.00 0.00 C ATOM 140 CD1 LEU A 9 -2.948 -5.595 7.194 1.00 0.00 C ATOM 141 CD2 LEU A 9 -4.723 -6.538 8.678 1.00 0.00 C ATOM 0 H LEU A 9 -5.463 -4.910 4.081 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.866 -6.431 6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.781 -4.175 6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.805 -4.529 7.718 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.512 -6.938 6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.273 -6.398 7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.712 -5.278 6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.828 -4.752 7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.049 -7.341 8.975 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.603 -5.694 9.358 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.752 -6.894 8.720 1.00 0.00 H new ATOM 153 N ALA A 10 -7.328 -3.268 6.062 1.00 0.00 N ATOM 154 CA ALA A 10 -8.405 -2.247 5.911 1.00 0.00 C ATOM 155 C ALA A 10 -8.076 -1.286 4.766 1.00 0.00 C ATOM 156 O ALA A 10 -6.924 -1.078 4.438 1.00 0.00 O ATOM 157 CB ALA A 10 -8.431 -1.502 7.246 1.00 0.00 C ATOM 0 H ALA A 10 -6.449 -2.919 6.443 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.369 -2.698 5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.200 -0.730 7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.651 -2.204 8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.460 -1.040 7.424 1.00 0.00 H new ATOM 163 N PRO A 11 -9.110 -0.728 4.198 1.00 0.00 N ATOM 164 CA PRO A 11 -8.944 0.230 3.077 1.00 0.00 C ATOM 165 C PRO A 11 -8.446 1.581 3.600 1.00 0.00 C ATOM 166 O PRO A 11 -8.553 1.881 4.772 1.00 0.00 O ATOM 167 CB PRO A 11 -10.353 0.356 2.505 1.00 0.00 C ATOM 168 CG PRO A 11 -11.268 0.005 3.635 1.00 0.00 C ATOM 169 CD PRO A 11 -10.519 -0.936 4.545 1.00 0.00 C ATOM 0 HA PRO A 11 -8.215 -0.097 2.336 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.543 1.367 2.144 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.496 -0.316 1.659 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.572 0.901 4.176 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.177 -0.465 3.261 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.708 -0.710 5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.820 -1.971 4.383 1.00 0.00 H new ATOM 177 N VAL A 12 -7.904 2.400 2.739 1.00 0.00 N ATOM 178 CA VAL A 12 -7.402 3.729 3.192 1.00 0.00 C ATOM 179 C VAL A 12 -8.365 4.836 2.754 1.00 0.00 C ATOM 180 O VAL A 12 -8.930 4.789 1.680 1.00 0.00 O ATOM 181 CB VAL A 12 -6.043 3.904 2.507 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.253 2.597 2.589 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.255 4.281 1.038 1.00 0.00 C ATOM 0 H VAL A 12 -7.787 2.207 1.744 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.320 3.786 4.277 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.486 4.695 3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.287 2.725 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.099 2.330 3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.810 1.804 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.288 4.405 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.815 3.491 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.814 5.215 0.979 1.00 0.00 H new ATOM 193 N LEU A 13 -8.551 5.832 3.572 1.00 0.00 N ATOM 194 CA LEU A 13 -9.470 6.939 3.191 1.00 0.00 C ATOM 195 C LEU A 13 -8.667 8.158 2.733 1.00 0.00 C ATOM 196 O LEU A 13 -8.060 8.849 3.527 1.00 0.00 O ATOM 197 CB LEU A 13 -10.257 7.259 4.461 1.00 0.00 C ATOM 198 CG LEU A 13 -11.269 6.144 4.737 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.041 5.821 3.457 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.529 4.891 5.212 1.00 0.00 C ATOM 0 H LEU A 13 -8.108 5.928 4.486 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.127 6.664 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.576 7.362 5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.773 8.212 4.350 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.966 6.473 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.761 5.027 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.569 6.712 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.345 5.494 2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.248 4.096 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.831 4.566 4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.979 5.117 6.126 1.00 0.00 H new ATOM 212 N SER A 14 -8.660 8.428 1.457 1.00 0.00 N ATOM 213 CA SER A 14 -7.898 9.602 0.945 1.00 0.00 C ATOM 214 C SER A 14 -8.504 10.084 -0.375 1.00 0.00 C ATOM 215 O SER A 14 -8.931 9.296 -1.195 1.00 0.00 O ATOM 216 CB SER A 14 -6.477 9.087 0.727 1.00 0.00 C ATOM 217 OG SER A 14 -6.519 7.689 0.466 1.00 0.00 O ATOM 0 H SER A 14 -9.150 7.886 0.745 1.00 0.00 H new ATOM 0 HA SER A 14 -7.922 10.446 1.634 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.012 9.611 -0.108 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.866 9.286 1.608 1.00 0.00 H new ATOM 0 HG SER A 14 -5.609 7.355 0.324 1.00 0.00 H new ATOM 223 N GLU A 15 -8.547 11.371 -0.586 1.00 0.00 N ATOM 224 CA GLU A 15 -9.129 11.899 -1.853 1.00 0.00 C ATOM 225 C GLU A 15 -8.657 11.056 -3.042 1.00 0.00 C ATOM 226 O GLU A 15 -9.450 10.576 -3.828 1.00 0.00 O ATOM 227 CB GLU A 15 -8.603 13.330 -1.968 1.00 0.00 C ATOM 228 CG GLU A 15 -9.484 14.121 -2.939 1.00 0.00 C ATOM 229 CD GLU A 15 -8.994 13.898 -4.371 1.00 0.00 C ATOM 230 OE1 GLU A 15 -7.928 13.326 -4.529 1.00 0.00 O ATOM 231 OE2 GLU A 15 -9.693 14.303 -5.284 1.00 0.00 O ATOM 0 H GLU A 15 -8.205 12.079 0.063 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.219 11.866 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.602 13.808 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.571 13.322 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.523 13.804 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.452 15.183 -2.694 1.00 0.00 H new ATOM 238 N LYS A 16 -7.372 10.869 -3.181 1.00 0.00 N ATOM 239 CA LYS A 16 -6.858 10.059 -4.316 1.00 0.00 C ATOM 240 C LYS A 16 -7.522 8.683 -4.322 1.00 0.00 C ATOM 241 O LYS A 16 -7.896 8.165 -5.356 1.00 0.00 O ATOM 242 CB LYS A 16 -5.352 9.929 -4.068 1.00 0.00 C ATOM 243 CG LYS A 16 -5.087 8.872 -2.993 1.00 0.00 C ATOM 244 CD LYS A 16 -3.580 8.736 -2.771 1.00 0.00 C ATOM 245 CE LYS A 16 -2.971 7.899 -3.899 1.00 0.00 C ATOM 246 NZ LYS A 16 -1.726 8.620 -4.284 1.00 0.00 N ATOM 0 H LYS A 16 -6.658 11.243 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.070 10.520 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.845 9.654 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.943 10.889 -3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.578 9.154 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.508 7.914 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.115 9.722 -2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.385 8.265 -1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.753 6.885 -3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.656 7.816 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.251 8.106 -5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.966 9.580 -4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.090 8.678 -3.463 1.00 0.00 H new ATOM 260 N ALA A 17 -7.669 8.086 -3.173 1.00 0.00 N ATOM 261 CA ALA A 17 -8.304 6.744 -3.113 1.00 0.00 C ATOM 262 C ALA A 17 -9.772 6.840 -3.531 1.00 0.00 C ATOM 263 O ALA A 17 -10.185 6.268 -4.518 1.00 0.00 O ATOM 264 CB ALA A 17 -8.190 6.312 -1.651 1.00 0.00 C ATOM 0 H ALA A 17 -7.377 8.470 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.826 6.030 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.639 5.326 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.139 6.271 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.711 7.030 -1.018 1.00 0.00 H new ATOM 270 N TYR A 18 -10.563 7.562 -2.786 1.00 0.00 N ATOM 271 CA TYR A 18 -12.004 7.695 -3.141 1.00 0.00 C ATOM 272 C TYR A 18 -12.155 8.055 -4.618 1.00 0.00 C ATOM 273 O TYR A 18 -13.120 7.691 -5.261 1.00 0.00 O ATOM 274 CB TYR A 18 -12.527 8.825 -2.255 1.00 0.00 C ATOM 275 CG TYR A 18 -13.094 8.233 -0.990 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.925 7.110 -1.062 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.785 8.799 0.251 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.448 6.551 0.111 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.309 8.242 1.424 1.00 0.00 C ATOM 280 CZ TYR A 18 -14.141 7.117 1.353 1.00 0.00 C ATOM 281 OH TYR A 18 -14.656 6.566 2.509 1.00 0.00 O ATOM 0 H TYR A 18 -10.274 8.065 -1.947 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.555 6.767 -2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.722 9.521 -2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.294 9.393 -2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.163 6.674 -2.021 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.142 9.665 0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.088 5.683 0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.072 8.679 2.383 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.892 7.282 3.136 1.00 0.00 H new ATOM 291 N ALA A 19 -11.206 8.762 -5.165 1.00 0.00 N ATOM 292 CA ALA A 19 -11.298 9.135 -6.602 1.00 0.00 C ATOM 293 C ALA A 19 -10.697 8.022 -7.466 1.00 0.00 C ATOM 294 O ALA A 19 -10.818 8.022 -8.675 1.00 0.00 O ATOM 295 CB ALA A 19 -10.483 10.421 -6.734 1.00 0.00 C ATOM 0 H ALA A 19 -10.373 9.096 -4.680 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.327 9.277 -6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.503 10.760 -7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.911 11.191 -6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.452 10.231 -6.435 1.00 0.00 H new ATOM 301 N GLY A 20 -10.061 7.068 -6.845 1.00 0.00 N ATOM 302 CA GLY A 20 -9.460 5.940 -7.611 1.00 0.00 C ATOM 303 C GLY A 20 -10.272 4.682 -7.329 1.00 0.00 C ATOM 304 O GLY A 20 -10.517 3.874 -8.202 1.00 0.00 O ATOM 0 H GLY A 20 -9.931 7.021 -5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.463 6.162 -8.678 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.420 5.794 -7.318 1.00 0.00 H new ATOM 308 N PHE A 21 -10.705 4.521 -6.110 1.00 0.00 N ATOM 309 CA PHE A 21 -11.521 3.332 -5.759 1.00 0.00 C ATOM 310 C PHE A 21 -12.924 3.501 -6.345 1.00 0.00 C ATOM 311 O PHE A 21 -13.637 2.545 -6.576 1.00 0.00 O ATOM 312 CB PHE A 21 -11.523 3.312 -4.219 1.00 0.00 C ATOM 313 CG PHE A 21 -12.926 3.183 -3.666 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.736 2.105 -4.042 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.414 4.147 -2.776 1.00 0.00 C ATOM 316 CE1 PHE A 21 -15.032 1.991 -3.528 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.709 4.033 -2.262 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.520 2.954 -2.638 1.00 0.00 C ATOM 0 H PHE A 21 -10.527 5.166 -5.340 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.136 2.393 -6.156 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.914 2.481 -3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.065 4.227 -3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.360 1.361 -4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.790 4.979 -2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.656 1.159 -3.818 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.084 4.777 -1.575 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.521 2.866 -2.241 1.00 0.00 H new ATOM 328 N ALA A 22 -13.315 4.718 -6.587 1.00 0.00 N ATOM 329 CA ALA A 22 -14.658 4.973 -7.159 1.00 0.00 C ATOM 330 C ALA A 22 -14.869 4.113 -8.407 1.00 0.00 C ATOM 331 O ALA A 22 -15.983 3.859 -8.821 1.00 0.00 O ATOM 332 CB ALA A 22 -14.645 6.456 -7.518 1.00 0.00 C ATOM 0 H ALA A 22 -12.755 5.552 -6.411 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.465 4.726 -6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.606 6.734 -7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.467 7.046 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.852 6.648 -8.241 1.00 0.00 H new ATOM 338 N GLU A 23 -13.801 3.662 -9.008 1.00 0.00 N ATOM 339 CA GLU A 23 -13.925 2.818 -10.231 1.00 0.00 C ATOM 340 C GLU A 23 -13.923 1.335 -9.854 1.00 0.00 C ATOM 341 O GLU A 23 -13.717 0.473 -10.685 1.00 0.00 O ATOM 342 CB GLU A 23 -12.690 3.155 -11.067 1.00 0.00 C ATOM 343 CG GLU A 23 -13.071 3.204 -12.548 1.00 0.00 C ATOM 344 CD GLU A 23 -13.536 4.617 -12.907 1.00 0.00 C ATOM 345 OE1 GLU A 23 -13.757 5.396 -11.995 1.00 0.00 O ATOM 346 OE2 GLU A 23 -13.662 4.895 -14.088 1.00 0.00 O ATOM 0 H GLU A 23 -12.844 3.843 -8.703 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.852 3.008 -10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.278 4.115 -10.755 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.914 2.407 -10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.217 2.923 -13.164 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.864 2.485 -12.755 1.00 0.00 H new ATOM 353 N GLY A 24 -14.148 1.030 -8.606 1.00 0.00 N ATOM 354 CA GLY A 24 -14.156 -0.387 -8.176 1.00 0.00 C ATOM 355 C GLY A 24 -12.766 -0.777 -7.666 1.00 0.00 C ATOM 356 O GLY A 24 -12.527 -1.908 -7.295 1.00 0.00 O ATOM 0 H GLY A 24 -14.327 1.708 -7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.897 -0.535 -7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.442 -1.029 -9.009 1.00 0.00 H new ATOM 360 N LYS A 25 -11.849 0.153 -7.640 1.00 0.00 N ATOM 361 CA LYS A 25 -10.476 -0.162 -7.150 1.00 0.00 C ATOM 362 C LYS A 25 -10.452 -0.103 -5.618 1.00 0.00 C ATOM 363 O LYS A 25 -11.113 0.717 -5.014 1.00 0.00 O ATOM 364 CB LYS A 25 -9.583 0.924 -7.755 1.00 0.00 C ATOM 365 CG LYS A 25 -9.479 0.717 -9.267 1.00 0.00 C ATOM 366 CD LYS A 25 -8.359 1.596 -9.830 1.00 0.00 C ATOM 367 CE LYS A 25 -8.464 1.644 -11.356 1.00 0.00 C ATOM 368 NZ LYS A 25 -7.172 2.224 -11.813 1.00 0.00 N ATOM 0 H LYS A 25 -11.992 1.118 -7.937 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.142 -1.159 -7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.995 1.910 -7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.592 0.888 -7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.278 -0.331 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.426 0.967 -9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.431 2.603 -9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.388 1.199 -9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.619 0.649 -11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.307 2.258 -11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.168 2.289 -12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.055 3.174 -11.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.389 1.615 -11.501 1.00 0.00 H new ATOM 382 N TYR A 26 -9.722 -0.975 -4.977 1.00 0.00 N ATOM 383 CA TYR A 26 -9.704 -0.949 -3.485 1.00 0.00 C ATOM 384 C TYR A 26 -8.280 -0.900 -2.928 1.00 0.00 C ATOM 385 O TYR A 26 -7.583 -1.892 -2.889 1.00 0.00 O ATOM 386 CB TYR A 26 -10.405 -2.236 -3.065 1.00 0.00 C ATOM 387 CG TYR A 26 -11.779 -2.270 -3.683 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.538 -1.096 -3.759 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.295 -3.470 -4.183 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.813 -1.121 -4.334 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.569 -3.496 -4.760 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.328 -2.322 -4.835 1.00 0.00 C ATOM 393 OH TYR A 26 -15.584 -2.348 -5.402 1.00 0.00 O ATOM 0 H TYR A 26 -9.145 -1.694 -5.413 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.197 -0.057 -3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.826 -3.102 -3.386 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.479 -2.287 -1.979 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.139 -0.170 -3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.710 -4.376 -4.124 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.399 -0.215 -4.391 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.967 -4.422 -5.148 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.876 -1.432 -5.592 1.00 0.00 H new ATOM 403 N THR A 27 -7.866 0.248 -2.466 1.00 0.00 N ATOM 404 CA THR A 27 -6.513 0.389 -1.873 1.00 0.00 C ATOM 405 C THR A 27 -6.515 -0.220 -0.477 1.00 0.00 C ATOM 406 O THR A 27 -7.322 0.124 0.363 1.00 0.00 O ATOM 407 CB THR A 27 -6.258 1.896 -1.806 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.764 2.513 -2.981 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.754 2.153 -1.699 1.00 0.00 C ATOM 0 H THR A 27 -8.419 1.105 -2.476 1.00 0.00 H new ATOM 0 HA THR A 27 -5.741 -0.118 -2.453 1.00 0.00 H new ATOM 0 HB THR A 27 -6.760 2.313 -0.933 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.603 3.479 -2.939 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.571 3.226 -1.651 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.367 1.678 -0.797 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.251 1.738 -2.572 1.00 0.00 H new ATOM 417 N PHE A 28 -5.636 -1.140 -0.235 1.00 0.00 N ATOM 418 CA PHE A 28 -5.600 -1.797 1.096 1.00 0.00 C ATOM 419 C PHE A 28 -4.217 -1.682 1.724 1.00 0.00 C ATOM 420 O PHE A 28 -3.242 -1.414 1.057 1.00 0.00 O ATOM 421 CB PHE A 28 -5.894 -3.264 0.808 1.00 0.00 C ATOM 422 CG PHE A 28 -7.334 -3.459 0.399 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.345 -2.658 0.945 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.654 -4.456 -0.528 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.676 -2.855 0.559 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.986 -4.653 -0.913 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.996 -3.852 -0.369 1.00 0.00 C ATOM 0 H PHE A 28 -4.937 -1.469 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.309 -1.340 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.236 -3.621 0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.680 -3.862 1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.098 -1.890 1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.874 -5.074 -0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.456 -2.237 0.978 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.233 -5.423 -1.629 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.023 -4.003 -0.666 1.00 0.00 H new ATOM 437 N TRP A 29 -4.123 -1.941 2.997 1.00 0.00 N ATOM 438 CA TRP A 29 -2.802 -1.913 3.670 1.00 0.00 C ATOM 439 C TRP A 29 -2.390 -3.364 3.849 1.00 0.00 C ATOM 440 O TRP A 29 -3.122 -4.153 4.412 1.00 0.00 O ATOM 441 CB TRP A 29 -3.041 -1.234 5.020 1.00 0.00 C ATOM 442 CG TRP A 29 -2.977 0.250 4.849 1.00 0.00 C ATOM 443 CD1 TRP A 29 -3.997 1.105 5.094 1.00 0.00 C ATOM 444 CD2 TRP A 29 -1.858 1.067 4.401 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.574 2.395 4.824 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.262 2.422 4.395 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.542 0.766 4.003 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.393 3.443 4.008 1.00 0.00 C ATOM 449 CZ3 TRP A 29 0.335 1.791 3.614 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.090 3.126 3.616 1.00 0.00 C ATOM 0 H TRP A 29 -4.911 -2.172 3.602 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.024 -1.381 3.122 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.014 -1.523 5.418 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.292 -1.560 5.741 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.980 0.826 5.443 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.159 3.224 4.929 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.205 -0.260 3.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.725 4.471 4.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.343 1.549 3.311 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.589 3.910 3.315 1.00 0.00 H new ATOM 461 N VAL A 30 -1.270 -3.753 3.329 1.00 0.00 N ATOM 462 CA VAL A 30 -0.902 -5.175 3.436 1.00 0.00 C ATOM 463 C VAL A 30 0.599 -5.359 3.616 1.00 0.00 C ATOM 464 O VAL A 30 1.386 -4.456 3.413 1.00 0.00 O ATOM 465 CB VAL A 30 -1.377 -5.749 2.112 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.775 -4.952 0.954 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.960 -7.195 1.999 1.00 0.00 C ATOM 0 H VAL A 30 -0.603 -3.155 2.841 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.346 -5.665 4.303 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.464 -5.684 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.120 -5.369 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.088 -3.911 1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.313 -5.008 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.304 -7.600 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.126 -7.266 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.401 -7.766 2.816 1.00 0.00 H new ATOM 477 N HIS A 31 0.988 -6.533 4.008 1.00 0.00 N ATOM 478 CA HIS A 31 2.434 -6.818 4.227 1.00 0.00 C ATOM 479 C HIS A 31 3.220 -6.627 2.929 1.00 0.00 C ATOM 480 O HIS A 31 2.706 -6.852 1.851 1.00 0.00 O ATOM 481 CB HIS A 31 2.485 -8.280 4.672 1.00 0.00 C ATOM 482 CG HIS A 31 3.415 -8.416 5.844 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.126 -7.868 7.085 1.00 0.00 N ATOM 484 CD2 HIS A 31 4.633 -9.035 5.983 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.148 -8.165 7.907 1.00 0.00 C ATOM 486 NE2 HIS A 31 5.094 -8.875 7.286 1.00 0.00 N ATOM 0 H HIS A 31 0.363 -7.318 4.189 1.00 0.00 H new ATOM 0 HA HIS A 31 2.877 -6.148 4.964 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.487 -8.623 4.945 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.825 -8.910 3.850 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.154 -9.566 5.200 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.198 -7.866 8.944 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.967 -9.225 7.682 1.00 0.00 H new ATOM 494 N PRO A 32 4.448 -6.219 3.083 1.00 0.00 N ATOM 495 CA PRO A 32 5.335 -5.995 1.915 1.00 0.00 C ATOM 496 C PRO A 32 5.747 -7.334 1.311 1.00 0.00 C ATOM 497 O PRO A 32 6.879 -7.760 1.431 1.00 0.00 O ATOM 498 CB PRO A 32 6.538 -5.280 2.512 1.00 0.00 C ATOM 499 CG PRO A 32 6.554 -5.686 3.951 1.00 0.00 C ATOM 500 CD PRO A 32 5.125 -5.934 4.353 1.00 0.00 C ATOM 0 HA PRO A 32 4.863 -5.425 1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.460 -5.572 2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.446 -4.199 2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.156 -6.584 4.092 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.998 -4.905 4.567 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.044 -6.771 5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.693 -5.066 4.850 1.00 0.00 H new ATOM 508 N LYS A 33 4.834 -8.009 0.678 1.00 0.00 N ATOM 509 CA LYS A 33 5.167 -9.331 0.084 1.00 0.00 C ATOM 510 C LYS A 33 3.930 -9.929 -0.583 1.00 0.00 C ATOM 511 O LYS A 33 4.021 -10.615 -1.582 1.00 0.00 O ATOM 512 CB LYS A 33 5.602 -10.194 1.271 1.00 0.00 C ATOM 513 CG LYS A 33 4.670 -9.945 2.464 1.00 0.00 C ATOM 514 CD LYS A 33 3.991 -11.256 2.867 1.00 0.00 C ATOM 515 CE LYS A 33 2.772 -11.497 1.974 1.00 0.00 C ATOM 516 NZ LYS A 33 2.118 -12.712 2.536 1.00 0.00 N ATOM 0 H LYS A 33 3.870 -7.703 0.545 1.00 0.00 H new ATOM 0 HA LYS A 33 5.942 -9.262 -0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.579 -11.248 0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.630 -9.959 1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.237 -9.544 3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.919 -9.200 2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.693 -12.085 2.773 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.686 -11.213 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.096 -10.642 1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.067 -11.652 0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.272 -12.941 1.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.783 -13.511 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.842 -12.533 3.523 1.00 0.00 H new ATOM 530 N ALA A 34 2.774 -9.679 -0.033 1.00 0.00 N ATOM 531 CA ALA A 34 1.533 -10.238 -0.631 1.00 0.00 C ATOM 532 C ALA A 34 1.491 -9.932 -2.130 1.00 0.00 C ATOM 533 O ALA A 34 0.992 -8.906 -2.550 1.00 0.00 O ATOM 534 CB ALA A 34 0.387 -9.534 0.093 1.00 0.00 C ATOM 0 H ALA A 34 2.637 -9.112 0.804 1.00 0.00 H new ATOM 0 HA ALA A 34 1.473 -11.321 -0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.565 -9.895 -0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.447 -9.745 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.460 -8.459 -0.069 1.00 0.00 H new ATOM 540 N THR A 35 2.015 -10.809 -2.939 1.00 0.00 N ATOM 541 CA THR A 35 2.009 -10.563 -4.410 1.00 0.00 C ATOM 542 C THR A 35 0.611 -10.139 -4.870 1.00 0.00 C ATOM 543 O THR A 35 -0.324 -10.100 -4.096 1.00 0.00 O ATOM 544 CB THR A 35 2.400 -11.900 -5.044 1.00 0.00 C ATOM 545 OG1 THR A 35 2.064 -11.883 -6.424 1.00 0.00 O ATOM 546 CG2 THR A 35 1.654 -13.039 -4.350 1.00 0.00 C ATOM 0 H THR A 35 2.447 -11.685 -2.647 1.00 0.00 H new ATOM 0 HA THR A 35 2.694 -9.764 -4.695 1.00 0.00 H new ATOM 0 HB THR A 35 3.473 -12.054 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.315 -12.738 -6.832 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.936 -13.989 -4.805 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.914 -13.052 -3.291 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.580 -12.889 -4.458 1.00 0.00 H new ATOM 554 N LYS A 36 0.466 -9.819 -6.127 1.00 0.00 N ATOM 555 CA LYS A 36 -0.869 -9.395 -6.639 1.00 0.00 C ATOM 556 C LYS A 36 -1.836 -10.583 -6.641 1.00 0.00 C ATOM 557 O LYS A 36 -3.033 -10.420 -6.508 1.00 0.00 O ATOM 558 CB LYS A 36 -0.605 -8.913 -8.067 1.00 0.00 C ATOM 559 CG LYS A 36 -0.631 -7.383 -8.102 1.00 0.00 C ATOM 560 CD LYS A 36 0.798 -6.847 -8.209 1.00 0.00 C ATOM 561 CE LYS A 36 0.765 -5.320 -8.298 1.00 0.00 C ATOM 562 NZ LYS A 36 1.471 -4.992 -9.568 1.00 0.00 N ATOM 0 H LYS A 36 1.213 -9.833 -6.821 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.324 -8.619 -6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.362 -9.279 -8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.359 -9.316 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.224 -7.039 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.108 -6.997 -7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.381 -7.159 -7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.289 -7.263 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.259 -4.947 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.261 -4.864 -7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.489 -3.960 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.446 -5.353 -9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.972 -5.434 -10.367 1.00 0.00 H new ATOM 576 N THR A 37 -1.327 -11.774 -6.791 1.00 0.00 N ATOM 577 CA THR A 37 -2.216 -12.972 -6.801 1.00 0.00 C ATOM 578 C THR A 37 -2.693 -13.300 -5.384 1.00 0.00 C ATOM 579 O THR A 37 -3.873 -13.447 -5.136 1.00 0.00 O ATOM 580 CB THR A 37 -1.353 -14.099 -7.341 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.433 -13.582 -8.292 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.240 -15.154 -7.999 1.00 0.00 C ATOM 0 H THR A 37 -0.333 -11.971 -6.907 1.00 0.00 H new ATOM 0 HA THR A 37 -3.109 -12.811 -7.405 1.00 0.00 H new ATOM 0 HB THR A 37 -0.800 -14.557 -6.520 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.124 -14.310 -8.638 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.619 -15.962 -8.386 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.938 -15.553 -7.263 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.798 -14.701 -8.819 1.00 0.00 H new ATOM 590 N GLU A 38 -1.787 -13.420 -4.454 1.00 0.00 N ATOM 591 CA GLU A 38 -2.197 -13.743 -3.057 1.00 0.00 C ATOM 592 C GLU A 38 -3.221 -12.720 -2.565 1.00 0.00 C ATOM 593 O GLU A 38 -4.208 -13.065 -1.950 1.00 0.00 O ATOM 594 CB GLU A 38 -0.914 -13.655 -2.229 1.00 0.00 C ATOM 595 CG GLU A 38 0.030 -14.791 -2.625 1.00 0.00 C ATOM 596 CD GLU A 38 1.380 -14.595 -1.931 1.00 0.00 C ATOM 597 OE1 GLU A 38 1.447 -13.773 -1.031 1.00 0.00 O ATOM 598 OE2 GLU A 38 2.322 -15.271 -2.309 1.00 0.00 O ATOM 0 H GLU A 38 -0.783 -13.309 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.660 -14.727 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.429 -12.692 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.150 -13.718 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.401 -15.752 -2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.164 -14.807 -3.707 1.00 0.00 H new ATOM 605 N ILE A 39 -3.002 -11.466 -2.841 1.00 0.00 N ATOM 606 CA ILE A 39 -3.973 -10.429 -2.394 1.00 0.00 C ATOM 607 C ILE A 39 -5.360 -10.761 -2.959 1.00 0.00 C ATOM 608 O ILE A 39 -6.379 -10.462 -2.370 1.00 0.00 O ATOM 609 CB ILE A 39 -3.439 -9.118 -2.981 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.256 -8.628 -2.142 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.538 -8.049 -2.978 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.677 -7.356 -2.765 1.00 0.00 C ATOM 0 H ILE A 39 -2.195 -11.114 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.072 -10.370 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.117 -9.296 -4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.579 -8.430 -1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.489 -9.401 -2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.146 -7.123 -3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.380 -8.391 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.871 -7.872 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.835 -7.008 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.338 -7.569 -3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.445 -6.583 -2.794 1.00 0.00 H new ATOM 624 N LYS A 40 -5.397 -11.379 -4.105 1.00 0.00 N ATOM 625 CA LYS A 40 -6.702 -11.739 -4.734 1.00 0.00 C ATOM 626 C LYS A 40 -7.487 -12.726 -3.863 1.00 0.00 C ATOM 627 O LYS A 40 -8.673 -12.575 -3.646 1.00 0.00 O ATOM 628 CB LYS A 40 -6.306 -12.410 -6.049 1.00 0.00 C ATOM 629 CG LYS A 40 -7.547 -12.625 -6.914 1.00 0.00 C ATOM 630 CD LYS A 40 -7.277 -13.739 -7.928 1.00 0.00 C ATOM 631 CE LYS A 40 -8.292 -13.648 -9.069 1.00 0.00 C ATOM 632 NZ LYS A 40 -7.535 -13.073 -10.215 1.00 0.00 N ATOM 0 H LYS A 40 -4.573 -11.654 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.344 -10.869 -4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.584 -11.791 -6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.821 -13.365 -5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.399 -12.888 -6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.806 -11.702 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.264 -13.650 -8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.347 -14.712 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.697 -14.629 -9.316 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.136 -13.015 -8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.166 -12.980 -11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.168 -12.136 -9.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.742 -13.701 -10.457 1.00 0.00 H new ATOM 646 N ASN A 41 -6.837 -13.753 -3.398 1.00 0.00 N ATOM 647 CA ASN A 41 -7.536 -14.788 -2.575 1.00 0.00 C ATOM 648 C ASN A 41 -8.103 -14.220 -1.265 1.00 0.00 C ATOM 649 O ASN A 41 -9.134 -14.662 -0.795 1.00 0.00 O ATOM 650 CB ASN A 41 -6.458 -15.830 -2.273 1.00 0.00 C ATOM 651 CG ASN A 41 -6.295 -16.759 -3.477 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.163 -17.558 -3.767 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.208 -16.689 -4.198 1.00 0.00 N ATOM 0 H ASN A 41 -5.843 -13.925 -3.551 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.395 -15.195 -3.109 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.512 -15.336 -2.051 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.732 -16.407 -1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.089 -17.304 -5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.478 -16.019 -3.956 1.00 0.00 H new ATOM 660 N ALA A 42 -7.443 -13.280 -0.646 1.00 0.00 N ATOM 661 CA ALA A 42 -7.970 -12.749 0.650 1.00 0.00 C ATOM 662 C ALA A 42 -9.251 -11.926 0.453 1.00 0.00 C ATOM 663 O ALA A 42 -10.234 -12.140 1.132 1.00 0.00 O ATOM 664 CB ALA A 42 -6.848 -11.883 1.232 1.00 0.00 C ATOM 0 H ALA A 42 -6.573 -12.859 -0.973 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.243 -13.564 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.170 -11.462 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.959 -12.495 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.615 -11.075 0.539 1.00 0.00 H new ATOM 670 N VAL A 43 -9.260 -10.983 -0.450 1.00 0.00 N ATOM 671 CA VAL A 43 -10.499 -10.168 -0.640 1.00 0.00 C ATOM 672 C VAL A 43 -11.612 -11.010 -1.269 1.00 0.00 C ATOM 673 O VAL A 43 -12.779 -10.804 -1.003 1.00 0.00 O ATOM 674 CB VAL A 43 -10.107 -9.017 -1.567 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.202 -8.044 -0.813 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.368 -9.565 -2.787 1.00 0.00 C ATOM 0 H VAL A 43 -8.477 -10.742 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.882 -9.802 0.312 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.006 -8.497 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.921 -7.223 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.734 -7.649 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.304 -8.565 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.091 -8.741 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.469 -10.089 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.017 -10.256 -3.325 1.00 0.00 H new ATOM 686 N GLU A 44 -11.269 -11.957 -2.099 1.00 0.00 N ATOM 687 CA GLU A 44 -12.326 -12.799 -2.730 1.00 0.00 C ATOM 688 C GLU A 44 -13.121 -13.534 -1.649 1.00 0.00 C ATOM 689 O GLU A 44 -14.334 -13.468 -1.602 1.00 0.00 O ATOM 690 CB GLU A 44 -11.570 -13.792 -3.614 1.00 0.00 C ATOM 691 CG GLU A 44 -12.053 -13.659 -5.059 1.00 0.00 C ATOM 692 CD GLU A 44 -13.109 -14.728 -5.347 1.00 0.00 C ATOM 693 OE1 GLU A 44 -13.849 -15.062 -4.436 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.159 -15.195 -6.473 1.00 0.00 O ATOM 0 H GLU A 44 -10.311 -12.183 -2.366 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.039 -12.209 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.498 -13.602 -3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.732 -14.809 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.472 -12.666 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.213 -13.768 -5.745 1.00 0.00 H new ATOM 701 N THR A 45 -12.446 -14.229 -0.775 1.00 0.00 N ATOM 702 CA THR A 45 -13.161 -14.962 0.307 1.00 0.00 C ATOM 703 C THR A 45 -13.544 -13.999 1.437 1.00 0.00 C ATOM 704 O THR A 45 -14.469 -14.241 2.185 1.00 0.00 O ATOM 705 CB THR A 45 -12.166 -16.009 0.792 1.00 0.00 C ATOM 706 OG1 THR A 45 -12.178 -17.116 -0.098 1.00 0.00 O ATOM 707 CG2 THR A 45 -12.540 -16.479 2.200 1.00 0.00 C ATOM 0 H THR A 45 -11.430 -14.321 -0.764 1.00 0.00 H new ATOM 0 HA THR A 45 -14.089 -15.417 -0.039 1.00 0.00 H new ATOM 0 HB THR A 45 -11.169 -15.570 0.820 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.538 -17.791 0.210 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.822 -17.227 2.537 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.526 -15.630 2.883 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.539 -16.916 2.185 1.00 0.00 H new ATOM 715 N ALA A 46 -12.833 -12.911 1.567 1.00 0.00 N ATOM 716 CA ALA A 46 -13.150 -11.935 2.649 1.00 0.00 C ATOM 717 C ALA A 46 -14.253 -10.972 2.197 1.00 0.00 C ATOM 718 O ALA A 46 -15.336 -10.954 2.745 1.00 0.00 O ATOM 719 CB ALA A 46 -11.845 -11.177 2.893 1.00 0.00 C ATOM 0 H ALA A 46 -12.046 -12.656 0.970 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.513 -12.427 3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.996 -10.437 3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.069 -11.878 3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.539 -10.675 1.975 1.00 0.00 H new ATOM 725 N PHE A 47 -13.986 -10.171 1.202 1.00 0.00 N ATOM 726 CA PHE A 47 -15.022 -9.210 0.722 1.00 0.00 C ATOM 727 C PHE A 47 -16.136 -9.964 -0.012 1.00 0.00 C ATOM 728 O PHE A 47 -17.242 -9.481 -0.150 1.00 0.00 O ATOM 729 CB PHE A 47 -14.280 -8.272 -0.230 1.00 0.00 C ATOM 730 CG PHE A 47 -13.548 -7.222 0.572 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.220 -6.517 1.577 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.198 -6.956 0.313 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.542 -5.545 2.324 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.520 -5.985 1.059 1.00 0.00 C ATOM 735 CZ PHE A 47 -12.192 -5.280 2.065 1.00 0.00 C ATOM 0 H PHE A 47 -13.098 -10.140 0.701 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.495 -8.664 1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.575 -8.837 -0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.984 -7.798 -0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.261 -6.722 1.777 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.680 -7.500 -0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.060 -5.000 3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.479 -5.780 0.859 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.669 -4.531 2.641 1.00 0.00 H new ATOM 745 N LYS A 48 -15.849 -11.148 -0.478 1.00 0.00 N ATOM 746 CA LYS A 48 -16.882 -11.947 -1.199 1.00 0.00 C ATOM 747 C LYS A 48 -17.251 -11.271 -2.517 1.00 0.00 C ATOM 748 O LYS A 48 -18.407 -11.169 -2.877 1.00 0.00 O ATOM 749 CB LYS A 48 -18.086 -11.996 -0.256 1.00 0.00 C ATOM 750 CG LYS A 48 -18.340 -13.444 0.169 1.00 0.00 C ATOM 751 CD LYS A 48 -19.830 -13.638 0.463 1.00 0.00 C ATOM 752 CE LYS A 48 -20.048 -15.005 1.116 1.00 0.00 C ATOM 753 NZ LYS A 48 -20.978 -14.746 2.250 1.00 0.00 N ATOM 0 H LYS A 48 -14.939 -11.600 -0.390 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.527 -12.947 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.901 -11.375 0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.968 -11.591 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.023 -14.126 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.750 -13.683 1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.187 -12.847 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -20.406 -13.568 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -20.476 -15.716 0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.107 -15.430 1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.176 -15.638 2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.542 -14.071 2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -21.867 -14.348 1.886 1.00 0.00 H new ATOM 767 N VAL A 49 -16.271 -10.813 -3.237 1.00 0.00 N ATOM 768 CA VAL A 49 -16.541 -10.146 -4.533 1.00 0.00 C ATOM 769 C VAL A 49 -15.730 -10.820 -5.644 1.00 0.00 C ATOM 770 O VAL A 49 -15.248 -11.925 -5.494 1.00 0.00 O ATOM 771 CB VAL A 49 -16.108 -8.688 -4.310 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.726 -8.407 -4.917 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.139 -7.770 -4.947 1.00 0.00 C ATOM 0 H VAL A 49 -15.286 -10.873 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.585 -10.207 -4.842 1.00 0.00 H new ATOM 0 HB VAL A 49 -16.041 -8.507 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.455 -7.366 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.986 -9.059 -4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.755 -8.596 -5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.844 -6.732 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.201 -7.978 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.112 -7.941 -4.487 1.00 0.00 H new ATOM 783 N LYS A 50 -15.568 -10.155 -6.750 1.00 0.00 N ATOM 784 CA LYS A 50 -14.778 -10.749 -7.863 1.00 0.00 C ATOM 785 C LYS A 50 -13.517 -9.920 -8.103 1.00 0.00 C ATOM 786 O LYS A 50 -13.584 -8.776 -8.505 1.00 0.00 O ATOM 787 CB LYS A 50 -15.694 -10.700 -9.089 1.00 0.00 C ATOM 788 CG LYS A 50 -15.301 -11.819 -10.056 1.00 0.00 C ATOM 789 CD LYS A 50 -14.217 -11.314 -11.011 1.00 0.00 C ATOM 790 CE LYS A 50 -14.419 -11.942 -12.391 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.045 -12.220 -12.893 1.00 0.00 N ATOM 0 H LYS A 50 -15.948 -9.226 -6.933 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.460 -11.768 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.735 -10.814 -8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.611 -9.731 -9.582 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.937 -12.683 -9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.173 -12.148 -10.621 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.260 -10.227 -11.085 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.230 -11.569 -10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.008 -12.857 -12.326 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.954 -11.266 -13.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.083 -12.426 -13.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.441 -11.389 -12.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.650 -13.039 -12.388 1.00 0.00 H new ATOM 805 N VAL A 51 -12.367 -10.488 -7.866 1.00 0.00 N ATOM 806 CA VAL A 51 -11.112 -9.722 -8.091 1.00 0.00 C ATOM 807 C VAL A 51 -10.804 -9.689 -9.586 1.00 0.00 C ATOM 808 O VAL A 51 -10.647 -10.712 -10.223 1.00 0.00 O ATOM 809 CB VAL A 51 -10.031 -10.481 -7.325 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.766 -9.623 -7.247 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.530 -10.781 -5.909 1.00 0.00 C ATOM 0 H VAL A 51 -12.243 -11.443 -7.529 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.181 -8.689 -7.751 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.806 -11.415 -7.839 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.993 -10.163 -6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.412 -9.404 -8.254 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.991 -8.690 -6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.760 -11.323 -5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.752 -9.845 -5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.433 -11.389 -5.963 1.00 0.00 H new ATOM 821 N VAL A 52 -10.745 -8.520 -10.152 1.00 0.00 N ATOM 822 CA VAL A 52 -10.483 -8.406 -11.609 1.00 0.00 C ATOM 823 C VAL A 52 -9.133 -7.736 -11.865 1.00 0.00 C ATOM 824 O VAL A 52 -8.602 -7.780 -12.956 1.00 0.00 O ATOM 825 CB VAL A 52 -11.632 -7.554 -12.105 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.335 -7.011 -13.496 1.00 0.00 C ATOM 827 CG2 VAL A 52 -12.895 -8.406 -12.147 1.00 0.00 C ATOM 0 H VAL A 52 -10.868 -7.633 -9.664 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.428 -9.369 -12.116 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.770 -6.711 -11.429 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.173 -6.401 -13.835 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.432 -6.401 -13.463 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.188 -7.841 -14.187 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.730 -7.802 -12.503 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.743 -9.249 -12.821 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.117 -8.777 -11.147 1.00 0.00 H new ATOM 837 N LYS A 53 -8.574 -7.122 -10.862 1.00 0.00 N ATOM 838 CA LYS A 53 -7.254 -6.455 -11.037 1.00 0.00 C ATOM 839 C LYS A 53 -6.769 -5.893 -9.702 1.00 0.00 C ATOM 840 O LYS A 53 -7.364 -4.994 -9.141 1.00 0.00 O ATOM 841 CB LYS A 53 -7.502 -5.322 -12.029 1.00 0.00 C ATOM 842 CG LYS A 53 -6.807 -5.642 -13.354 1.00 0.00 C ATOM 843 CD LYS A 53 -6.159 -4.374 -13.912 1.00 0.00 C ATOM 844 CE LYS A 53 -5.896 -4.551 -15.409 1.00 0.00 C ATOM 845 NZ LYS A 53 -6.913 -3.694 -16.081 1.00 0.00 N ATOM 0 H LYS A 53 -8.974 -7.053 -9.926 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.491 -7.147 -11.393 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.572 -5.193 -12.190 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.124 -4.382 -11.626 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.051 -6.413 -13.203 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.528 -6.039 -14.068 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.811 -3.516 -13.745 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.224 -4.170 -13.389 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.884 -4.243 -15.671 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.999 -5.594 -15.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.797 -3.762 -17.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.866 -4.015 -15.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.786 -2.706 -15.783 1.00 0.00 H new ATOM 859 N VAL A 54 -5.689 -6.411 -9.193 1.00 0.00 N ATOM 860 CA VAL A 54 -5.161 -5.901 -7.896 1.00 0.00 C ATOM 861 C VAL A 54 -3.818 -5.201 -8.126 1.00 0.00 C ATOM 862 O VAL A 54 -2.850 -5.812 -8.532 1.00 0.00 O ATOM 863 CB VAL A 54 -5.017 -7.149 -7.001 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.670 -7.146 -6.265 1.00 0.00 C ATOM 865 CG2 VAL A 54 -6.139 -7.152 -5.962 1.00 0.00 C ATOM 0 H VAL A 54 -5.148 -7.165 -9.617 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.814 -5.164 -7.429 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.072 -8.034 -7.634 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.594 -8.037 -5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.858 -7.142 -6.992 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.600 -6.257 -5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.043 -8.032 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.071 -6.253 -5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.104 -7.174 -6.469 1.00 0.00 H new ATOM 875 N ASN A 55 -3.753 -3.929 -7.858 1.00 0.00 N ATOM 876 CA ASN A 55 -2.472 -3.199 -8.048 1.00 0.00 C ATOM 877 C ASN A 55 -1.973 -2.679 -6.704 1.00 0.00 C ATOM 878 O ASN A 55 -2.603 -1.857 -6.071 1.00 0.00 O ATOM 879 CB ASN A 55 -2.804 -2.041 -8.989 1.00 0.00 C ATOM 880 CG ASN A 55 -1.967 -2.159 -10.264 1.00 0.00 C ATOM 881 OD1 ASN A 55 -2.492 -2.424 -11.327 1.00 0.00 O ATOM 882 ND2 ASN A 55 -0.677 -1.975 -10.202 1.00 0.00 N ATOM 0 H ASN A 55 -4.530 -3.364 -7.516 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.687 -3.834 -8.459 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.865 -2.053 -9.236 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.602 -1.090 -8.496 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.109 -2.054 -11.046 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.236 -1.752 -9.310 1.00 0.00 H new ATOM 889 N THR A 56 -0.846 -3.152 -6.261 1.00 0.00 N ATOM 890 CA THR A 56 -0.313 -2.683 -4.951 1.00 0.00 C ATOM 891 C THR A 56 1.008 -1.942 -5.162 1.00 0.00 C ATOM 892 O THR A 56 1.708 -2.160 -6.131 1.00 0.00 O ATOM 893 CB THR A 56 -0.096 -3.938 -4.076 1.00 0.00 C ATOM 894 OG1 THR A 56 1.228 -3.924 -3.563 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.308 -5.228 -4.880 1.00 0.00 C ATOM 0 H THR A 56 -0.270 -3.841 -6.745 1.00 0.00 H new ATOM 0 HA THR A 56 -1.006 -1.994 -4.468 1.00 0.00 H new ATOM 0 HB THR A 56 -0.824 -3.917 -3.265 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.305 -3.230 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.147 -6.090 -4.233 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.326 -5.251 -5.269 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.398 -5.260 -5.710 1.00 0.00 H new ATOM 903 N LEU A 57 1.353 -1.068 -4.259 1.00 0.00 N ATOM 904 CA LEU A 57 2.629 -0.310 -4.401 1.00 0.00 C ATOM 905 C LEU A 57 3.249 -0.071 -3.024 1.00 0.00 C ATOM 906 O LEU A 57 2.584 -0.160 -2.010 1.00 0.00 O ATOM 907 CB LEU A 57 2.238 1.018 -5.053 1.00 0.00 C ATOM 908 CG LEU A 57 0.965 1.558 -4.398 1.00 0.00 C ATOM 909 CD1 LEU A 57 1.172 3.023 -4.010 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.198 1.452 -5.387 1.00 0.00 C ATOM 0 H LEU A 57 0.806 -0.845 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 57 3.366 -0.849 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.048 1.739 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.077 0.876 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 57 0.739 0.975 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.265 3.407 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.002 3.100 -3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.397 3.607 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.106 1.836 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.029 2.036 -6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.346 0.408 -5.664 1.00 0.00 H new ATOM 922 N HIS A 58 4.517 0.229 -2.974 1.00 0.00 N ATOM 923 CA HIS A 58 5.170 0.468 -1.656 1.00 0.00 C ATOM 924 C HIS A 58 4.915 1.899 -1.187 1.00 0.00 C ATOM 925 O HIS A 58 5.212 2.857 -1.873 1.00 0.00 O ATOM 926 CB HIS A 58 6.661 0.237 -1.900 1.00 0.00 C ATOM 927 CG HIS A 58 7.249 -0.497 -0.725 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.601 -0.783 -0.632 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.679 -1.011 0.415 1.00 0.00 C ATOM 930 CE1 HIS A 58 8.800 -1.439 0.525 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.660 -1.605 1.202 1.00 0.00 N ATOM 0 H HIS A 58 5.128 0.319 -3.786 1.00 0.00 H new ATOM 0 HA HIS A 58 4.780 -0.191 -0.880 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.807 -0.339 -2.814 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.170 1.190 -2.040 1.00 0.00 H new ATOM 0 HD1 HIS A 58 9.316 -0.540 -1.317 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.629 -0.961 0.662 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.763 -1.789 0.865 1.00 0.00 H new ATOM 939 N VAL A 59 4.367 2.043 -0.016 1.00 0.00 N ATOM 940 CA VAL A 59 4.084 3.404 0.523 1.00 0.00 C ATOM 941 C VAL A 59 4.837 3.613 1.839 1.00 0.00 C ATOM 942 O VAL A 59 4.567 2.964 2.829 1.00 0.00 O ATOM 943 CB VAL A 59 2.566 3.457 0.763 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.876 4.052 -0.466 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.007 2.052 1.023 1.00 0.00 C ATOM 0 H VAL A 59 4.100 1.273 0.597 1.00 0.00 H new ATOM 0 HA VAL A 59 4.405 4.185 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 59 2.376 4.079 1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.800 4.090 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.251 5.060 -0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.084 3.430 -1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.932 2.113 1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.204 1.416 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.487 1.627 1.904 1.00 0.00 H new ATOM 955 N ARG A 60 5.780 4.514 1.856 1.00 0.00 N ATOM 956 CA ARG A 60 6.549 4.763 3.110 1.00 0.00 C ATOM 957 C ARG A 60 5.995 5.993 3.833 1.00 0.00 C ATOM 958 O ARG A 60 6.283 7.118 3.476 1.00 0.00 O ATOM 959 CB ARG A 60 7.991 5.007 2.655 1.00 0.00 C ATOM 960 CG ARG A 60 8.371 3.999 1.567 1.00 0.00 C ATOM 961 CD ARG A 60 7.913 2.597 1.980 1.00 0.00 C ATOM 962 NE ARG A 60 8.844 1.667 1.282 1.00 0.00 N ATOM 963 CZ ARG A 60 10.121 1.700 1.548 1.00 0.00 C ATOM 964 NH1 ARG A 60 10.528 1.812 2.783 1.00 0.00 N ATOM 965 NH2 ARG A 60 10.992 1.622 0.579 1.00 0.00 N ATOM 0 H ARG A 60 6.052 5.088 1.058 1.00 0.00 H new ATOM 0 HA ARG A 60 6.482 3.928 3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.094 6.023 2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.670 4.914 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.908 4.279 0.621 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.450 4.008 1.410 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.963 2.468 3.061 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.879 2.416 1.685 1.00 0.00 H new ATOM 0 HE ARG A 60 8.483 1.004 0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.848 1.874 3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.526 1.838 2.991 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.674 1.535 -0.386 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.990 1.648 0.787 1.00 0.00 H new ATOM 979 N GLY A 61 5.198 5.787 4.847 1.00 0.00 N ATOM 980 CA GLY A 61 4.624 6.941 5.592 1.00 0.00 C ATOM 981 C GLY A 61 3.763 6.427 6.748 1.00 0.00 C ATOM 982 O GLY A 61 2.596 6.133 6.580 1.00 0.00 O ATOM 0 H GLY A 61 4.920 4.868 5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.424 7.574 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.023 7.556 4.923 1.00 0.00 H new ATOM 986 N LYS A 62 4.327 6.318 7.919 1.00 0.00 N ATOM 987 CA LYS A 62 3.538 5.824 9.084 1.00 0.00 C ATOM 988 C LYS A 62 4.325 6.029 10.381 1.00 0.00 C ATOM 989 O LYS A 62 3.766 6.328 11.418 1.00 0.00 O ATOM 990 CB LYS A 62 3.326 4.332 8.816 1.00 0.00 C ATOM 991 CG LYS A 62 1.878 3.955 9.138 1.00 0.00 C ATOM 992 CD LYS A 62 1.806 2.473 9.510 1.00 0.00 C ATOM 993 CE LYS A 62 0.507 1.872 8.966 1.00 0.00 C ATOM 994 NZ LYS A 62 0.918 1.085 7.771 1.00 0.00 N ATOM 0 H LYS A 62 5.300 6.549 8.120 1.00 0.00 H new ATOM 0 HA LYS A 62 2.593 6.356 9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.549 4.104 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.011 3.742 9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.507 4.566 9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.239 4.156 8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.665 1.942 9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.847 2.357 10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.024 1.238 9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.207 2.651 8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.166 0.410 7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.082 1.729 6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.794 0.565 7.982 1.00 0.00 H new ATOM 1008 N LYS A 63 5.619 5.869 10.333 1.00 0.00 N ATOM 1009 CA LYS A 63 6.440 6.054 11.564 1.00 0.00 C ATOM 1010 C LYS A 63 6.559 7.543 11.901 1.00 0.00 C ATOM 1011 O LYS A 63 6.565 8.387 11.029 1.00 0.00 O ATOM 1012 CB LYS A 63 7.810 5.470 11.217 1.00 0.00 C ATOM 1013 CG LYS A 63 7.747 3.944 11.292 1.00 0.00 C ATOM 1014 CD LYS A 63 8.652 3.451 12.423 1.00 0.00 C ATOM 1015 CE LYS A 63 9.713 2.507 11.853 1.00 0.00 C ATOM 1016 NZ LYS A 63 10.637 2.237 12.990 1.00 0.00 N ATOM 0 H LYS A 63 6.144 5.618 9.495 1.00 0.00 H new ATOM 0 HA LYS A 63 5.998 5.567 12.433 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.108 5.784 10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.564 5.848 11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.721 3.620 11.465 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.063 3.509 10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.130 4.298 12.916 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.059 2.935 13.179 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.264 1.586 11.482 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.240 2.965 11.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.394 1.596 12.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.055 3.131 13.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.109 1.795 13.769 1.00 0.00 H new ATOM 1030 N LYS A 64 6.650 7.870 13.162 1.00 0.00 N ATOM 1031 CA LYS A 64 6.765 9.302 13.558 1.00 0.00 C ATOM 1032 C LYS A 64 7.721 10.044 12.620 1.00 0.00 C ATOM 1033 O LYS A 64 8.724 9.510 12.188 1.00 0.00 O ATOM 1034 CB LYS A 64 7.325 9.276 14.981 1.00 0.00 C ATOM 1035 CG LYS A 64 6.173 9.160 15.982 1.00 0.00 C ATOM 1036 CD LYS A 64 6.484 8.056 16.994 1.00 0.00 C ATOM 1037 CE LYS A 64 5.234 7.755 17.823 1.00 0.00 C ATOM 1038 NZ LYS A 64 4.699 6.482 17.265 1.00 0.00 N ATOM 0 H LYS A 64 6.650 7.206 13.936 1.00 0.00 H new ATOM 0 HA LYS A 64 5.807 9.819 13.503 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.009 8.435 15.099 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.898 10.183 15.174 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.028 10.110 16.497 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.244 8.936 15.458 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.815 7.156 16.476 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.300 8.366 17.647 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.477 7.651 18.880 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.503 8.560 17.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.839 6.210 17.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.470 6.613 16.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.414 5.733 17.363 1.00 0.00 H new ATOM 1052 N ARG A 65 7.417 11.273 12.302 1.00 0.00 N ATOM 1053 CA ARG A 65 8.307 12.056 11.396 1.00 0.00 C ATOM 1054 C ARG A 65 8.374 13.514 11.861 1.00 0.00 C ATOM 1055 O ARG A 65 9.434 14.097 11.961 1.00 0.00 O ATOM 1056 CB ARG A 65 7.651 11.962 10.016 1.00 0.00 C ATOM 1057 CG ARG A 65 7.219 10.518 9.753 1.00 0.00 C ATOM 1058 CD ARG A 65 7.226 10.247 8.247 1.00 0.00 C ATOM 1059 NE ARG A 65 5.815 10.442 7.815 1.00 0.00 N ATOM 1060 CZ ARG A 65 5.524 11.351 6.927 1.00 0.00 C ATOM 1061 NH1 ARG A 65 6.222 11.436 5.827 1.00 0.00 N ATOM 1062 NH2 ARG A 65 4.535 12.177 7.137 1.00 0.00 N ATOM 0 H ARG A 65 6.589 11.770 12.631 1.00 0.00 H new ATOM 0 HA ARG A 65 9.328 11.675 11.386 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.788 12.626 9.966 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.350 12.290 9.246 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.893 9.828 10.260 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.222 10.346 10.159 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.897 10.930 7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.569 9.236 8.029 1.00 0.00 H new ATOM 0 HE ARG A 65 5.075 9.864 8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.995 10.791 5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.994 12.147 5.132 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.989 12.111 7.996 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.308 12.888 6.442 1.00 0.00 H new ATOM 1076 N LEU A 66 7.244 14.102 12.150 1.00 0.00 N ATOM 1077 CA LEU A 66 7.233 15.519 12.615 1.00 0.00 C ATOM 1078 C LEU A 66 7.867 16.434 11.567 1.00 0.00 C ATOM 1079 O LEU A 66 8.715 17.249 11.874 1.00 0.00 O ATOM 1080 CB LEU A 66 8.060 15.521 13.901 1.00 0.00 C ATOM 1081 CG LEU A 66 7.143 15.772 15.099 1.00 0.00 C ATOM 1082 CD1 LEU A 66 6.494 17.149 14.966 1.00 0.00 C ATOM 1083 CD2 LEU A 66 6.053 14.698 15.139 1.00 0.00 C ATOM 0 H LEU A 66 6.327 13.661 12.084 1.00 0.00 H new ATOM 0 HA LEU A 66 6.220 15.887 12.779 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.574 14.567 14.017 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.828 16.292 13.850 1.00 0.00 H new ATOM 0 HG LEU A 66 7.728 15.733 16.018 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.841 17.327 15.820 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.269 17.915 14.936 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.909 17.188 14.047 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.399 14.875 15.992 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.469 14.738 14.219 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.514 13.715 15.234 1.00 0.00 H new ATOM 1095 N GLY A 67 7.449 16.308 10.336 1.00 0.00 N ATOM 1096 CA GLY A 67 8.007 17.167 9.249 1.00 0.00 C ATOM 1097 C GLY A 67 9.504 17.393 9.474 1.00 0.00 C ATOM 1098 O GLY A 67 9.917 18.424 9.968 1.00 0.00 O ATOM 0 H GLY A 67 6.739 15.641 10.034 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.844 16.694 8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.486 18.124 9.227 1.00 0.00 H new ATOM 1102 N ARG A 68 10.322 16.441 9.118 1.00 0.00 N ATOM 1103 CA ARG A 68 11.790 16.608 9.315 1.00 0.00 C ATOM 1104 C ARG A 68 12.549 16.156 8.065 1.00 0.00 C ATOM 1105 O ARG A 68 12.106 15.287 7.340 1.00 0.00 O ATOM 1106 CB ARG A 68 12.133 15.712 10.505 1.00 0.00 C ATOM 1107 CG ARG A 68 12.137 16.546 11.788 1.00 0.00 C ATOM 1108 CD ARG A 68 13.374 16.198 12.620 1.00 0.00 C ATOM 1109 NE ARG A 68 12.893 16.173 14.029 1.00 0.00 N ATOM 1110 CZ ARG A 68 13.609 15.590 14.952 1.00 0.00 C ATOM 1111 NH1 ARG A 68 13.885 14.318 14.859 1.00 0.00 N ATOM 1112 NH2 ARG A 68 14.050 16.280 15.968 1.00 0.00 N ATOM 0 H ARG A 68 10.038 15.555 8.700 1.00 0.00 H new ATOM 0 HA ARG A 68 12.067 17.647 9.493 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.406 14.904 10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.109 15.250 10.356 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.137 17.608 11.544 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.232 16.351 12.364 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.789 15.234 12.327 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.162 16.938 12.485 1.00 0.00 H new ATOM 0 HE ARG A 68 12.005 16.611 14.273 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.541 13.778 14.065 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.444 13.863 15.581 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.835 17.274 16.041 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.609 15.825 16.689 1.00 0.00 H new ATOM 1126 N TYR A 69 13.688 16.738 7.807 1.00 0.00 N ATOM 1127 CA TYR A 69 14.474 16.338 6.604 1.00 0.00 C ATOM 1128 C TYR A 69 14.499 14.812 6.477 1.00 0.00 C ATOM 1129 O TYR A 69 14.995 14.118 7.342 1.00 0.00 O ATOM 1130 CB TYR A 69 15.877 16.886 6.849 1.00 0.00 C ATOM 1131 CG TYR A 69 16.544 16.074 7.925 1.00 0.00 C ATOM 1132 CD1 TYR A 69 16.308 16.372 9.269 1.00 0.00 C ATOM 1133 CD2 TYR A 69 17.391 15.018 7.577 1.00 0.00 C ATOM 1134 CE1 TYR A 69 16.921 15.613 10.271 1.00 0.00 C ATOM 1135 CE2 TYR A 69 18.006 14.259 8.577 1.00 0.00 C ATOM 1136 CZ TYR A 69 17.772 14.555 9.925 1.00 0.00 C ATOM 1137 OH TYR A 69 18.378 13.805 10.912 1.00 0.00 O ATOM 0 H TYR A 69 14.109 17.473 8.376 1.00 0.00 H new ATOM 0 HA TYR A 69 14.046 16.724 5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 69 16.462 16.845 5.930 1.00 0.00 H new ATOM 0 HB3 TYR A 69 15.825 17.933 7.147 1.00 0.00 H new ATOM 0 HD1 TYR A 69 15.652 17.188 9.534 1.00 0.00 H new ATOM 0 HD2 TYR A 69 17.570 14.789 6.537 1.00 0.00 H new ATOM 0 HE1 TYR A 69 16.739 15.842 11.311 1.00 0.00 H new ATOM 0 HE2 TYR A 69 18.662 13.444 8.309 1.00 0.00 H new ATOM 0 HH TYR A 69 18.934 13.111 10.500 1.00 0.00 H new ATOM 1147 N LEU A 70 13.968 14.288 5.405 1.00 0.00 N ATOM 1148 CA LEU A 70 13.957 12.811 5.216 1.00 0.00 C ATOM 1149 C LEU A 70 13.644 12.109 6.535 1.00 0.00 C ATOM 1150 O LEU A 70 14.514 11.846 7.340 1.00 0.00 O ATOM 1151 CB LEU A 70 15.360 12.465 4.758 1.00 0.00 C ATOM 1152 CG LEU A 70 15.335 12.053 3.285 1.00 0.00 C ATOM 1153 CD1 LEU A 70 16.077 13.099 2.450 1.00 0.00 C ATOM 1154 CD2 LEU A 70 16.022 10.695 3.126 1.00 0.00 C ATOM 0 H LEU A 70 13.540 14.823 4.649 1.00 0.00 H new ATOM 0 HA LEU A 70 13.199 12.495 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 70 16.019 13.322 4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.762 11.654 5.366 1.00 0.00 H new ATOM 0 HG LEU A 70 14.302 11.982 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.059 12.806 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.591 14.068 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 70 17.110 13.170 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 70 16.005 10.399 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.055 10.768 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.496 9.949 3.722 1.00 0.00 H new ATOM 1166 N GLY A 71 12.406 11.808 6.753 1.00 0.00 N ATOM 1167 CA GLY A 71 12.011 11.123 8.016 1.00 0.00 C ATOM 1168 C GLY A 71 12.352 9.636 7.922 1.00 0.00 C ATOM 1169 O GLY A 71 13.069 9.208 7.037 1.00 0.00 O ATOM 0 H GLY A 71 11.639 12.005 6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.530 11.572 8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.943 11.251 8.192 1.00 0.00 H new ATOM 1173 N LYS A 72 11.847 8.843 8.826 1.00 0.00 N ATOM 1174 CA LYS A 72 12.144 7.383 8.786 1.00 0.00 C ATOM 1175 C LYS A 72 10.868 6.591 8.490 1.00 0.00 C ATOM 1176 O LYS A 72 10.249 6.038 9.378 1.00 0.00 O ATOM 1177 CB LYS A 72 12.671 7.048 10.181 1.00 0.00 C ATOM 1178 CG LYS A 72 11.693 7.567 11.236 1.00 0.00 C ATOM 1179 CD LYS A 72 12.315 8.759 11.966 1.00 0.00 C ATOM 1180 CE LYS A 72 11.428 9.152 13.149 1.00 0.00 C ATOM 1181 NZ LYS A 72 12.365 9.290 14.300 1.00 0.00 N ATOM 0 H LYS A 72 11.242 9.142 9.591 1.00 0.00 H new ATOM 0 HA LYS A 72 12.863 7.129 8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.796 5.970 10.285 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.653 7.498 10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.757 7.864 10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.455 6.776 11.947 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.315 8.503 12.317 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.423 9.602 11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.901 10.086 12.955 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.671 8.393 13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.832 9.559 15.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.848 8.384 14.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.070 10.024 14.087 1.00 0.00 H new ATOM 1195 N ARG A 73 10.470 6.532 7.249 1.00 0.00 N ATOM 1196 CA ARG A 73 9.233 5.775 6.899 1.00 0.00 C ATOM 1197 C ARG A 73 9.521 4.272 6.889 1.00 0.00 C ATOM 1198 O ARG A 73 10.571 3.843 6.453 1.00 0.00 O ATOM 1199 CB ARG A 73 8.856 6.257 5.499 1.00 0.00 C ATOM 1200 CG ARG A 73 8.615 7.768 5.527 1.00 0.00 C ATOM 1201 CD ARG A 73 8.824 8.343 4.125 1.00 0.00 C ATOM 1202 NE ARG A 73 10.171 8.976 4.167 1.00 0.00 N ATOM 1203 CZ ARG A 73 10.876 9.084 3.075 1.00 0.00 C ATOM 1204 NH1 ARG A 73 10.305 8.931 1.912 1.00 0.00 N ATOM 1205 NH2 ARG A 73 12.153 9.345 3.146 1.00 0.00 N ATOM 0 H ARG A 73 10.946 6.974 6.463 1.00 0.00 H new ATOM 0 HA ARG A 73 8.430 5.941 7.617 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.652 6.018 4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.960 5.741 5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.603 7.979 5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.297 8.243 6.232 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.778 7.561 3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.052 9.072 3.878 1.00 0.00 H new ATOM 0 HE ARG A 73 10.543 9.325 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.307 8.727 1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.856 9.016 1.058 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.599 9.464 4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.705 9.429 2.292 1.00 0.00 H new ATOM 1219 N PRO A 74 8.568 3.522 7.370 1.00 0.00 N ATOM 1220 CA PRO A 74 8.710 2.047 7.419 1.00 0.00 C ATOM 1221 C PRO A 74 8.581 1.452 6.018 1.00 0.00 C ATOM 1222 O PRO A 74 8.635 2.149 5.026 1.00 0.00 O ATOM 1223 CB PRO A 74 7.546 1.605 8.301 1.00 0.00 C ATOM 1224 CG PRO A 74 6.529 2.692 8.168 1.00 0.00 C ATOM 1225 CD PRO A 74 7.281 3.972 7.908 1.00 0.00 C ATOM 0 HA PRO A 74 9.678 1.723 7.801 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.144 0.646 7.974 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.860 1.482 9.338 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.840 2.477 7.351 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.931 2.774 9.076 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.752 4.609 7.199 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.411 4.552 8.822 1.00 0.00 H new ATOM 1233 N ASP A 75 8.394 0.166 5.934 1.00 0.00 N ATOM 1234 CA ASP A 75 8.241 -0.481 4.609 1.00 0.00 C ATOM 1235 C ASP A 75 6.832 -1.051 4.489 1.00 0.00 C ATOM 1236 O ASP A 75 6.574 -2.187 4.833 1.00 0.00 O ATOM 1237 CB ASP A 75 9.278 -1.604 4.590 1.00 0.00 C ATOM 1238 CG ASP A 75 10.657 -1.023 4.273 1.00 0.00 C ATOM 1239 OD1 ASP A 75 11.273 -0.486 5.179 1.00 0.00 O ATOM 1240 OD2 ASP A 75 11.072 -1.126 3.131 1.00 0.00 O ATOM 0 H ASP A 75 8.341 -0.466 6.733 1.00 0.00 H new ATOM 0 HA ASP A 75 8.388 0.212 3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.299 -2.110 5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.007 -2.351 3.844 1.00 0.00 H new ATOM 1245 N ARG A 76 5.923 -0.264 4.008 1.00 0.00 N ATOM 1246 CA ARG A 76 4.519 -0.744 3.862 1.00 0.00 C ATOM 1247 C ARG A 76 4.035 -0.545 2.424 1.00 0.00 C ATOM 1248 O ARG A 76 4.387 0.414 1.769 1.00 0.00 O ATOM 1249 CB ARG A 76 3.705 0.119 4.824 1.00 0.00 C ATOM 1250 CG ARG A 76 2.244 -0.329 4.795 1.00 0.00 C ATOM 1251 CD ARG A 76 2.160 -1.815 5.149 1.00 0.00 C ATOM 1252 NE ARG A 76 1.245 -1.879 6.321 1.00 0.00 N ATOM 1253 CZ ARG A 76 1.505 -2.692 7.310 1.00 0.00 C ATOM 1254 NH1 ARG A 76 1.657 -3.969 7.081 1.00 0.00 N ATOM 1255 NH2 ARG A 76 1.615 -2.229 8.524 1.00 0.00 N ATOM 0 H ARG A 76 6.086 0.697 3.706 1.00 0.00 H new ATOM 0 HA ARG A 76 4.422 -1.807 4.083 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.104 0.032 5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.781 1.169 4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.658 0.258 5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.818 -0.155 3.807 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.773 -2.399 4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.143 -2.219 5.392 1.00 0.00 H new ATOM 0 HE ARG A 76 0.414 -1.288 6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.573 -4.330 6.131 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.860 -4.605 7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.498 -1.231 8.702 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.818 -2.864 9.296 1.00 0.00 H new ATOM 1269 N LYS A 77 3.228 -1.445 1.931 1.00 0.00 N ATOM 1270 CA LYS A 77 2.716 -1.307 0.537 1.00 0.00 C ATOM 1271 C LYS A 77 1.184 -1.326 0.533 1.00 0.00 C ATOM 1272 O LYS A 77 0.563 -2.059 1.276 1.00 0.00 O ATOM 1273 CB LYS A 77 3.281 -2.517 -0.218 1.00 0.00 C ATOM 1274 CG LYS A 77 2.451 -3.765 0.096 1.00 0.00 C ATOM 1275 CD LYS A 77 3.076 -4.979 -0.593 1.00 0.00 C ATOM 1276 CE LYS A 77 2.170 -5.442 -1.735 1.00 0.00 C ATOM 1277 NZ LYS A 77 2.035 -6.912 -1.544 1.00 0.00 N ATOM 0 H LYS A 77 2.901 -2.270 2.433 1.00 0.00 H new ATOM 0 HA LYS A 77 3.019 -0.368 0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.271 -2.324 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.320 -2.681 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.410 -3.926 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.425 -3.628 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.063 -4.723 -0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.214 -5.787 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.199 -4.947 -1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.607 -5.208 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.287 -7.276 -2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.936 -7.376 -1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.788 -7.112 -0.554 1.00 0.00 H new ATOM 1291 N LYS A 78 0.566 -0.532 -0.300 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.925 -0.522 -0.342 1.00 0.00 C ATOM 1293 C LYS A 78 -1.409 -1.346 -1.540 1.00 0.00 C ATOM 1294 O LYS A 78 -0.725 -1.453 -2.535 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.317 0.949 -0.497 1.00 0.00 C ATOM 1296 CG LYS A 78 -0.819 1.472 -1.845 1.00 0.00 C ATOM 1297 CD LYS A 78 -1.449 2.837 -2.130 1.00 0.00 C ATOM 1298 CE LYS A 78 -0.980 3.847 -1.080 1.00 0.00 C ATOM 1299 NZ LYS A 78 -2.227 4.500 -0.594 1.00 0.00 N ATOM 0 H LYS A 78 1.026 0.106 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.372 -0.958 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.400 1.056 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.888 1.538 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.268 1.557 -1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.076 0.769 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.169 3.177 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.536 2.758 -2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.449 3.353 -0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.294 4.576 -1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.989 5.207 0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.707 4.967 -1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.857 3.782 -0.183 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.567 -1.950 -1.446 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.062 -2.786 -2.585 1.00 0.00 C ATOM 1315 C ALA A 79 -4.360 -2.248 -3.169 1.00 0.00 C ATOM 1316 O ALA A 79 -5.321 -2.038 -2.465 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.333 -4.154 -1.985 1.00 0.00 C ATOM 0 H ALA A 79 -3.187 -1.902 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.329 -2.797 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.700 -4.825 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.411 -4.556 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.082 -4.064 -1.198 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.404 -2.067 -4.458 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.653 -1.577 -5.100 1.00 0.00 C ATOM 1325 C ILE A 80 -6.333 -2.731 -5.834 1.00 0.00 C ATOM 1326 O ILE A 80 -5.832 -3.234 -6.818 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.208 -0.500 -6.084 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.851 0.772 -5.317 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.347 -0.200 -7.057 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.743 0.475 -4.306 1.00 0.00 C ATOM 0 H ILE A 80 -3.627 -2.238 -5.096 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.367 -1.183 -4.377 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.337 -0.850 -6.637 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.524 1.546 -6.011 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.732 1.156 -4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.031 0.570 -7.761 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.607 -1.107 -7.603 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.217 0.151 -6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.493 1.386 -3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.086 -0.285 -3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.859 0.112 -4.831 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.464 -3.158 -5.354 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.176 -4.293 -6.015 1.00 0.00 C ATOM 1344 C VAL A 81 -9.351 -3.782 -6.850 1.00 0.00 C ATOM 1345 O VAL A 81 -10.092 -2.918 -6.428 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.676 -5.167 -4.865 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -9.182 -6.501 -5.417 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.529 -5.425 -3.885 1.00 0.00 C ATOM 0 H VAL A 81 -7.930 -2.773 -4.532 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.526 -4.841 -6.697 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.489 -4.656 -4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.538 -7.123 -4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.999 -6.319 -6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.370 -7.012 -5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.885 -6.048 -3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.716 -5.935 -4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.168 -4.476 -3.489 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.533 -4.317 -8.029 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.664 -3.866 -8.884 1.00 0.00 C ATOM 1360 C GLN A 82 -11.611 -5.026 -9.140 1.00 0.00 C ATOM 1361 O GLN A 82 -11.216 -6.174 -9.124 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.032 -3.420 -10.198 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.123 -3.242 -11.256 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.994 -2.037 -10.895 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -11.580 -1.177 -10.143 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -13.193 -1.939 -11.403 1.00 0.00 N ATOM 0 H GLN A 82 -8.946 -5.046 -8.434 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.234 -3.065 -8.413 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.493 -2.483 -10.055 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.304 -4.159 -10.532 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.672 -3.097 -12.238 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.736 -4.142 -11.317 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.540 -2.661 -12.034 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.782 -1.140 -11.169 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.853 -4.744 -9.387 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.795 -5.852 -9.653 1.00 0.00 C ATOM 1377 C VAL A 83 -14.510 -5.644 -10.985 1.00 0.00 C ATOM 1378 O VAL A 83 -14.616 -4.542 -11.486 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.792 -5.857 -8.496 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.052 -5.626 -7.178 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.826 -4.748 -8.702 1.00 0.00 C ATOM 0 H VAL A 83 -13.252 -3.806 -9.416 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.272 -6.806 -9.723 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.298 -6.822 -8.463 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.766 -5.630 -6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.320 -6.420 -7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.542 -4.663 -7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.536 -4.754 -7.875 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.321 -3.783 -8.740 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.358 -4.916 -9.638 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.992 -6.706 -11.553 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.706 -6.618 -12.855 1.00 0.00 C ATOM 1393 C ALA A 84 -16.703 -5.458 -12.854 1.00 0.00 C ATOM 1394 O ALA A 84 -16.879 -4.779 -11.863 1.00 0.00 O ATOM 1395 CB ALA A 84 -16.444 -7.946 -12.972 1.00 0.00 C ATOM 0 H ALA A 84 -14.922 -7.647 -11.167 1.00 0.00 H new ATOM 0 HA ALA A 84 -15.024 -6.439 -13.686 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -17.002 -7.971 -13.908 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.725 -8.765 -12.956 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -17.134 -8.054 -12.135 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.326 -5.282 -13.982 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.326 -4.203 -14.149 1.00 0.00 C ATOM 1403 C PRO A 85 -19.616 -4.556 -13.408 1.00 0.00 C ATOM 1404 O PRO A 85 -20.051 -5.691 -13.403 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.557 -4.159 -15.655 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.193 -5.516 -16.146 1.00 0.00 C ATOM 1407 CD PRO A 85 -17.156 -6.073 -15.202 1.00 0.00 C ATOM 0 HA PRO A 85 -17.997 -3.245 -13.747 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.595 -3.922 -15.887 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.942 -3.392 -16.125 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -19.071 -6.162 -16.177 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.800 -5.464 -17.161 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.316 -7.135 -15.015 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.150 -5.969 -15.608 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.229 -3.593 -12.781 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.491 -3.869 -12.037 1.00 0.00 C ATOM 1417 C GLY A 86 -21.160 -4.318 -10.611 1.00 0.00 C ATOM 1418 O GLY A 86 -21.977 -4.225 -9.717 1.00 0.00 O ATOM 0 H GLY A 86 -19.911 -2.624 -12.751 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.113 -2.974 -12.012 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.065 -4.642 -12.548 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.968 -4.804 -10.391 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.587 -5.258 -9.024 1.00 0.00 C ATOM 1424 C GLN A 87 -18.987 -4.099 -8.228 1.00 0.00 C ATOM 1425 O GLN A 87 -18.658 -3.064 -8.772 1.00 0.00 O ATOM 1426 CB GLN A 87 -18.540 -6.348 -9.250 1.00 0.00 C ATOM 1427 CG GLN A 87 -19.241 -7.656 -9.612 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.245 -8.813 -9.522 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -17.434 -8.862 -8.620 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.271 -9.752 -10.429 1.00 0.00 N ATOM 0 H GLN A 87 -19.242 -4.906 -11.100 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.443 -5.622 -8.457 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.859 -6.054 -10.049 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.938 -6.482 -8.351 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -20.079 -7.830 -8.937 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.652 -7.594 -10.620 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.953 -9.710 -11.187 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.610 -10.527 -10.380 1.00 0.00 H new ATOM 1439 N LYS A 88 -18.840 -4.264 -6.942 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.259 -3.169 -6.115 1.00 0.00 C ATOM 1441 C LYS A 88 -18.192 -3.586 -4.642 1.00 0.00 C ATOM 1442 O LYS A 88 -19.171 -3.515 -3.926 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.214 -1.989 -6.294 1.00 0.00 C ATOM 1444 CG LYS A 88 -20.643 -2.435 -5.974 1.00 0.00 C ATOM 1445 CD LYS A 88 -21.619 -1.755 -6.934 1.00 0.00 C ATOM 1446 CE LYS A 88 -22.979 -1.592 -6.249 1.00 0.00 C ATOM 1447 NZ LYS A 88 -22.938 -0.239 -5.631 1.00 0.00 N ATOM 0 H LYS A 88 -19.096 -5.108 -6.429 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.241 -2.923 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -18.922 -1.169 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.159 -1.615 -7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -20.725 -3.518 -6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -20.893 -2.180 -4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -21.232 -0.781 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -21.726 -2.349 -7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -23.795 -1.674 -6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.138 -2.365 -5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -23.544 -0.225 -4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -21.960 -0.011 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -23.280 0.466 -6.315 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.048 -4.016 -4.182 1.00 0.00 N ATOM 1462 CA ILE A 89 -16.932 -4.429 -2.753 1.00 0.00 C ATOM 1463 C ILE A 89 -17.640 -3.402 -1.861 1.00 0.00 C ATOM 1464 O ILE A 89 -17.155 -2.310 -1.640 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.428 -4.465 -2.472 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.821 -5.715 -3.118 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.187 -4.512 -0.963 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.323 -5.776 -2.806 1.00 0.00 C ATOM 0 H ILE A 89 -16.192 -4.099 -4.731 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.396 -5.395 -2.552 1.00 0.00 H new ATOM 0 HB ILE A 89 -14.962 -3.571 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.318 -6.609 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.978 -5.693 -4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.115 -4.538 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.620 -3.627 -0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.653 -5.405 -0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.892 -6.665 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.832 -4.888 -3.203 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.178 -5.819 -1.727 1.00 0.00 H new ATOM 1480 N GLU A 90 -18.799 -3.745 -1.368 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.574 -2.801 -0.507 1.00 0.00 C ATOM 1482 C GLU A 90 -18.757 -2.340 0.706 1.00 0.00 C ATOM 1483 O GLU A 90 -19.121 -1.401 1.384 1.00 0.00 O ATOM 1484 CB GLU A 90 -20.794 -3.602 -0.052 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.604 -4.036 -1.274 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.758 -3.057 -1.496 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -22.782 -2.039 -0.824 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -23.598 -3.341 -2.334 1.00 0.00 O ATOM 0 H GLU A 90 -19.248 -4.647 -1.526 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.843 -1.895 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.477 -4.476 0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.412 -2.997 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.964 -4.066 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.992 -5.044 -1.127 1.00 0.00 H new ATOM 1495 N ALA A 91 -17.668 -2.994 0.999 1.00 0.00 N ATOM 1496 CA ALA A 91 -16.857 -2.584 2.184 1.00 0.00 C ATOM 1497 C ALA A 91 -16.477 -1.100 2.095 1.00 0.00 C ATOM 1498 O ALA A 91 -16.432 -0.405 3.090 1.00 0.00 O ATOM 1499 CB ALA A 91 -15.607 -3.461 2.135 1.00 0.00 C ATOM 0 H ALA A 91 -17.304 -3.790 0.475 1.00 0.00 H new ATOM 0 HA ALA A 91 -17.408 -2.709 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.959 -3.218 2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.896 -4.510 2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.073 -3.281 1.202 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.203 -0.608 0.917 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.827 0.835 0.783 1.00 0.00 C ATOM 1507 C LEU A 92 -16.983 1.616 0.161 1.00 0.00 C ATOM 1508 O LEU A 92 -17.092 2.815 0.317 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.607 0.884 -0.151 1.00 0.00 C ATOM 1510 CG LEU A 92 -13.859 -0.449 -0.127 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.559 -0.324 -0.923 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.536 -0.820 1.322 1.00 0.00 C ATOM 0 H LEU A 92 -16.222 -1.136 0.045 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.602 1.276 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.929 1.108 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.939 1.688 0.156 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.482 -1.224 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.028 -1.276 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.788 -0.057 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.933 0.450 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.002 -1.770 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.913 -0.044 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.462 -0.911 1.889 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.839 0.943 -0.555 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.980 1.644 -1.202 1.00 0.00 C ATOM 1526 C GLU A 93 -19.715 2.526 -0.187 1.00 0.00 C ATOM 1527 O GLU A 93 -20.057 3.658 -0.467 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.895 0.530 -1.708 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.167 -0.281 -2.781 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.047 0.554 -4.057 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -19.974 0.526 -4.849 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -18.029 1.206 -4.219 1.00 0.00 O ATOM 0 H GLU A 93 -17.797 -0.063 -0.720 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.653 2.301 -2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.186 -0.119 -0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.811 0.955 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.177 -0.567 -2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.711 -1.203 -2.987 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.966 2.014 0.988 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.684 2.823 2.014 1.00 0.00 C ATOM 1541 C GLY A 94 -19.677 3.435 2.991 1.00 0.00 C ATOM 1542 O GLY A 94 -20.045 4.116 3.928 1.00 0.00 O ATOM 0 H GLY A 94 -19.705 1.072 1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -21.260 3.612 1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -21.393 2.196 2.554 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.410 3.203 2.780 1.00 0.00 N ATOM 1547 CA LEU A 95 -17.387 3.777 3.701 1.00 0.00 C ATOM 1548 C LEU A 95 -17.173 5.261 3.394 1.00 0.00 C ATOM 1549 O LEU A 95 -16.339 5.914 3.990 1.00 0.00 O ATOM 1550 CB LEU A 95 -16.110 2.982 3.421 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.043 3.349 4.454 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -15.648 3.292 5.858 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.882 2.358 4.359 1.00 0.00 C ATOM 0 H LEU A 95 -18.039 2.643 2.012 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.688 3.709 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -16.318 1.913 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.748 3.198 2.416 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.679 4.357 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -14.887 3.554 6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.476 3.997 5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.013 2.284 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.121 2.618 5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.247 1.350 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.450 2.399 3.359 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.918 5.799 2.468 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.755 7.241 2.124 1.00 0.00 C ATOM 1567 C ILE A 96 -18.444 8.118 3.172 1.00 0.00 C ATOM 1568 O ILE A 96 -19.658 8.045 3.272 1.00 0.00 O ATOM 1569 CB ILE A 96 -18.432 7.401 0.763 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -17.544 6.787 -0.322 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -18.639 8.888 0.470 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -18.379 6.521 -1.576 1.00 0.00 C ATOM 1573 OXT ILE A 96 -17.746 8.846 3.858 1.00 0.00 O ATOM 0 H ILE A 96 -18.632 5.303 1.935 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.708 7.543 2.098 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.397 6.894 0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.720 7.461 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -17.103 5.858 0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.122 9.004 -0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -19.269 9.327 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.674 9.394 0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.746 6.084 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -19.187 5.831 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.799 7.459 -1.939 1.00 0.00 H new TER 1585 ILE A 96