USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD Single : A 2 TYR OH : rot 150:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -73:sc= 0.49 USER MOD Single : A 25 HIS : no HD1:sc= 0.00755 X(o=0.0075,f=-0.22) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.218 F(o=-1.4,f=-0.22) USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0179) USER MOD Single : A 38 LYS NZ :NH3+ 166:sc= 1.42 (180deg=0.491) USER MOD Single : A 45 THR OG1 : rot 69:sc= 0.0935 USER MOD Single : B 2 TYR OH : rot 180:sc= -0.0137 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1.9!) USER MOD Single : B 17 TYR OH : rot -169:sc= 0.133 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -73:sc= 0.627 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 ASN : amide:sc= 0.148 K(o=0.15,f=-1) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 HIS : +bothHN:sc= 0.216 K(o=0.22,f=-5.9!) USER MOD Single : B 45 THR OG1 : rot 76:sc= 1.22 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 2.444 12.913 -12.513 1.00 0.00 C HETATM 2 O ACE A 0 2.690 12.978 -13.716 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.497 13.901 -11.872 1.00 0.00 C HETATM 0 H1 ACE A 0 0.656 13.366 -11.432 1.00 0.00 H new HETATM 0 H2 ACE A 0 2.022 14.455 -11.094 1.00 0.00 H new HETATM 0 H3 ACE A 0 1.130 14.596 -12.627 1.00 0.00 H new ATOM 7 N ASP A 1 2.967 11.997 -11.701 1.00 0.00 N ATOM 8 CA ASP A 1 3.945 10.968 -12.112 1.00 0.00 C ATOM 9 C ASP A 1 3.759 9.619 -11.394 1.00 0.00 C ATOM 10 O ASP A 1 3.984 8.556 -11.975 1.00 0.00 O ATOM 11 CB ASP A 1 5.356 11.511 -11.852 1.00 0.00 C ATOM 12 CG ASP A 1 6.452 10.600 -12.431 1.00 0.00 C ATOM 13 OD1 ASP A 1 6.580 10.524 -13.677 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.208 9.986 -11.642 1.00 0.00 O ATOM 0 H ASP A 1 2.722 11.940 -10.712 1.00 0.00 H new ATOM 0 HA ASP A 1 3.786 10.766 -13.171 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.446 12.505 -12.289 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.508 11.620 -10.778 1.00 0.00 H new ATOM 19 N TYR A 2 3.279 9.660 -10.149 1.00 0.00 N ATOM 20 CA TYR A 2 2.995 8.481 -9.317 1.00 0.00 C ATOM 21 C TYR A 2 2.037 7.478 -9.976 1.00 0.00 C ATOM 22 O TYR A 2 2.191 6.273 -9.801 1.00 0.00 O ATOM 23 CB TYR A 2 2.446 8.922 -7.952 1.00 0.00 C ATOM 24 CG TYR A 2 1.014 9.435 -7.951 1.00 0.00 C ATOM 25 CD1 TYR A 2 0.740 10.788 -8.235 1.00 0.00 C ATOM 26 CD2 TYR A 2 -0.048 8.545 -7.684 1.00 0.00 C ATOM 27 CE1 TYR A 2 -0.590 11.244 -8.290 1.00 0.00 C ATOM 28 CE2 TYR A 2 -1.380 9.001 -7.731 1.00 0.00 C ATOM 29 CZ TYR A 2 -1.655 10.348 -8.048 1.00 0.00 C ATOM 30 OH TYR A 2 -2.941 10.772 -8.149 1.00 0.00 O ATOM 0 H TYR A 2 3.070 10.539 -9.675 1.00 0.00 H new ATOM 0 HA TYR A 2 3.942 7.957 -9.189 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.510 8.078 -7.265 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.093 9.705 -7.557 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.553 11.477 -8.411 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.161 7.513 -7.443 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.797 12.279 -8.517 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.191 8.319 -7.524 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.511 10.025 -8.428 1.00 0.00 H new ATOM 40 N LEU A 3 1.077 7.966 -10.765 1.00 0.00 N ATOM 41 CA LEU A 3 0.124 7.151 -11.536 1.00 0.00 C ATOM 42 C LEU A 3 0.848 6.285 -12.567 1.00 0.00 C ATOM 43 O LEU A 3 0.617 5.080 -12.630 1.00 0.00 O ATOM 44 CB LEU A 3 -0.891 8.050 -12.267 1.00 0.00 C ATOM 45 CG LEU A 3 -1.873 8.782 -11.344 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.663 9.813 -12.148 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.874 7.830 -10.681 1.00 0.00 C ATOM 0 H LEU A 3 0.934 8.968 -10.892 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.398 6.506 -10.829 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.346 8.788 -12.855 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.459 7.439 -12.969 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.278 9.257 -10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.360 10.332 -11.490 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.976 10.535 -12.589 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.218 9.310 -12.940 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.546 8.399 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.453 7.318 -11.450 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.336 7.095 -10.083 1.00 0.00 H new ATOM 59 N ARG A 4 1.760 6.886 -13.344 1.00 0.00 N ATOM 60 CA ARG A 4 2.600 6.141 -14.291 1.00 0.00 C ATOM 61 C ARG A 4 3.452 5.114 -13.554 1.00 0.00 C ATOM 62 O ARG A 4 3.499 3.968 -13.979 1.00 0.00 O ATOM 63 CB ARG A 4 3.481 7.085 -15.124 1.00 0.00 C ATOM 64 CG ARG A 4 4.035 6.383 -16.381 1.00 0.00 C ATOM 65 CD ARG A 4 5.522 6.684 -16.603 1.00 0.00 C ATOM 66 NE ARG A 4 5.973 6.227 -17.934 1.00 0.00 N ATOM 67 CZ ARG A 4 5.927 6.913 -19.064 1.00 0.00 C ATOM 68 NH1 ARG A 4 5.448 8.124 -19.123 1.00 0.00 N ATOM 69 NH2 ARG A 4 6.363 6.389 -20.175 1.00 0.00 N ATOM 0 H ARG A 4 1.935 7.891 -13.334 1.00 0.00 H new ATOM 0 HA ARG A 4 1.941 5.614 -14.981 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.900 7.958 -15.421 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.309 7.445 -14.513 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.894 5.306 -16.286 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.467 6.703 -17.254 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.696 7.756 -16.507 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.113 6.194 -15.829 1.00 0.00 H new ATOM 0 HE ARG A 4 6.360 5.285 -17.987 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.092 8.573 -18.279 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.429 8.622 -20.013 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.744 5.443 -20.178 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.324 6.925 -21.042 1.00 0.00 H new ATOM 83 N GLU A 5 4.063 5.483 -12.430 1.00 0.00 N ATOM 84 CA GLU A 5 4.839 4.541 -11.605 1.00 0.00 C ATOM 85 C GLU A 5 3.994 3.349 -11.093 1.00 0.00 C ATOM 86 O GLU A 5 4.459 2.207 -11.106 1.00 0.00 O ATOM 87 CB GLU A 5 5.502 5.323 -10.461 1.00 0.00 C ATOM 88 CG GLU A 5 6.343 4.480 -9.493 1.00 0.00 C ATOM 89 CD GLU A 5 7.522 3.728 -10.152 1.00 0.00 C ATOM 90 OE1 GLU A 5 8.099 4.218 -11.154 1.00 0.00 O ATOM 91 OE2 GLU A 5 7.910 2.649 -9.640 1.00 0.00 O ATOM 0 H GLU A 5 4.039 6.434 -12.062 1.00 0.00 H new ATOM 0 HA GLU A 5 5.611 4.085 -12.225 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.139 6.095 -10.892 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.724 5.832 -9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.736 5.131 -8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.693 3.754 -9.006 1.00 0.00 H new ATOM 98 N LEU A 6 2.741 3.599 -10.699 1.00 0.00 N ATOM 99 CA LEU A 6 1.742 2.604 -10.285 1.00 0.00 C ATOM 100 C LEU A 6 1.361 1.636 -11.418 1.00 0.00 C ATOM 101 O LEU A 6 1.529 0.418 -11.297 1.00 0.00 O ATOM 102 CB LEU A 6 0.504 3.374 -9.763 1.00 0.00 C ATOM 103 CG LEU A 6 0.307 3.297 -8.246 1.00 0.00 C ATOM 104 CD1 LEU A 6 1.512 3.763 -7.421 1.00 0.00 C ATOM 105 CD2 LEU A 6 -0.882 4.172 -7.848 1.00 0.00 C ATOM 0 H LEU A 6 2.376 4.550 -10.658 1.00 0.00 H new ATOM 0 HA LEU A 6 2.165 1.976 -9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.593 4.421 -10.053 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.387 2.982 -10.254 1.00 0.00 H new ATOM 0 HG LEU A 6 0.151 2.241 -8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.282 3.674 -6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.377 3.144 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.735 4.803 -7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.026 4.121 -6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.688 5.204 -8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.781 3.816 -8.352 1.00 0.00 H new ATOM 117 N LEU A 7 0.863 2.179 -12.533 1.00 0.00 N ATOM 118 CA LEU A 7 0.480 1.407 -13.718 1.00 0.00 C ATOM 119 C LEU A 7 1.666 0.658 -14.349 1.00 0.00 C ATOM 120 O LEU A 7 1.502 -0.500 -14.741 1.00 0.00 O ATOM 121 CB LEU A 7 -0.223 2.289 -14.767 1.00 0.00 C ATOM 122 CG LEU A 7 -1.726 2.507 -14.493 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.000 3.675 -13.551 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.464 2.779 -15.803 1.00 0.00 C ATOM 0 H LEU A 7 0.713 3.182 -12.639 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.228 0.654 -13.371 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.274 3.258 -14.804 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.105 1.832 -15.750 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.081 1.593 -14.017 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.075 3.775 -13.399 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.514 3.492 -12.593 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.608 4.594 -13.987 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.524 2.931 -15.599 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.053 3.672 -16.273 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.342 1.928 -16.473 1.00 0.00 H new ATOM 136 N LYS A 8 2.871 1.250 -14.375 1.00 0.00 N ATOM 137 CA LYS A 8 4.128 0.604 -14.804 1.00 0.00 C ATOM 138 C LYS A 8 4.686 -0.414 -13.789 1.00 0.00 C ATOM 139 O LYS A 8 5.888 -0.677 -13.738 1.00 0.00 O ATOM 140 CB LYS A 8 5.158 1.685 -15.193 1.00 0.00 C ATOM 141 CG LYS A 8 6.190 1.192 -16.217 1.00 0.00 C ATOM 142 CD LYS A 8 5.577 1.098 -17.622 1.00 0.00 C ATOM 143 CE LYS A 8 6.551 0.438 -18.594 1.00 0.00 C ATOM 144 NZ LYS A 8 6.562 -1.046 -18.471 1.00 0.00 N ATOM 0 H LYS A 8 3.004 2.220 -14.090 1.00 0.00 H new ATOM 0 HA LYS A 8 3.903 0.001 -15.683 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.633 2.548 -15.602 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.677 2.023 -14.296 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.042 1.871 -16.234 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.567 0.215 -15.916 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.651 0.524 -17.582 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.319 2.095 -17.979 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.283 0.713 -19.614 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.555 0.822 -18.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.239 -1.446 -19.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.844 -1.312 -17.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.611 -1.418 -18.669 1.00 0.00 H new ATOM 158 N GLY A 9 3.805 -1.024 -13.003 1.00 0.00 N ATOM 159 CA GLY A 9 4.129 -2.220 -12.237 1.00 0.00 C ATOM 160 C GLY A 9 3.036 -3.210 -11.885 1.00 0.00 C ATOM 161 O GLY A 9 3.329 -4.404 -11.817 1.00 0.00 O ATOM 0 H GLY A 9 2.845 -0.702 -12.880 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.894 -2.764 -12.792 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.585 -1.894 -11.302 1.00 0.00 H new ATOM 165 N GLU A 10 1.784 -2.790 -11.719 1.00 0.00 N ATOM 166 CA GLU A 10 0.710 -3.781 -11.450 1.00 0.00 C ATOM 167 C GLU A 10 0.540 -4.816 -12.574 1.00 0.00 C ATOM 168 O GLU A 10 0.189 -5.962 -12.278 1.00 0.00 O ATOM 169 CB GLU A 10 -0.634 -3.099 -11.127 1.00 0.00 C ATOM 170 CG GLU A 10 -0.751 -2.572 -9.685 1.00 0.00 C ATOM 171 CD GLU A 10 -1.756 -3.378 -8.848 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.530 -4.437 -8.241 1.00 0.00 O ATOM 173 OE2 GLU A 10 -2.964 -3.129 -8.667 1.00 0.00 O ATOM 0 H GLU A 10 1.482 -1.817 -11.761 1.00 0.00 H new ATOM 0 HA GLU A 10 1.037 -4.329 -10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.781 -2.268 -11.817 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.441 -3.810 -11.307 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.228 -2.608 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.056 -1.526 -9.707 1.00 0.00 H new ATOM 180 N LEU A 11 0.863 -4.497 -13.838 1.00 0.00 N ATOM 181 CA LEU A 11 0.767 -5.486 -14.914 1.00 0.00 C ATOM 182 C LEU A 11 1.767 -6.646 -14.778 1.00 0.00 C ATOM 183 O LEU A 11 1.504 -7.774 -15.198 1.00 0.00 O ATOM 184 CB LEU A 11 0.797 -4.728 -16.245 1.00 0.00 C ATOM 185 CG LEU A 11 2.176 -4.612 -16.897 1.00 0.00 C ATOM 186 CD1 LEU A 11 2.458 -5.770 -17.858 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.268 -3.302 -17.670 1.00 0.00 C ATOM 0 H LEU A 11 1.187 -3.576 -14.133 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.181 -6.021 -14.855 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.123 -5.225 -16.943 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.404 -3.724 -16.082 1.00 0.00 H new ATOM 0 HG LEU A 11 2.917 -4.643 -16.098 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.448 -5.646 -18.297 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.419 -6.713 -17.313 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.708 -5.777 -18.649 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.251 -3.221 -18.134 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.500 -3.281 -18.443 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.119 -2.465 -16.987 1.00 0.00 H new ATOM 199 N GLN A 12 2.890 -6.365 -14.121 1.00 0.00 N ATOM 200 CA GLN A 12 4.014 -7.258 -13.898 1.00 0.00 C ATOM 201 C GLN A 12 3.692 -8.360 -12.869 1.00 0.00 C ATOM 202 O GLN A 12 4.444 -9.330 -12.752 1.00 0.00 O ATOM 203 CB GLN A 12 5.224 -6.383 -13.513 1.00 0.00 C ATOM 204 CG GLN A 12 6.551 -6.994 -13.991 1.00 0.00 C ATOM 205 CD GLN A 12 7.753 -6.078 -13.753 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.724 -4.877 -13.989 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.871 -6.603 -13.294 1.00 0.00 N ATOM 0 H GLN A 12 3.044 -5.447 -13.705 1.00 0.00 H new ATOM 0 HA GLN A 12 4.249 -7.814 -14.806 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.105 -5.390 -13.946 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.251 -6.258 -12.431 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.715 -7.940 -13.475 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.478 -7.219 -15.055 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.920 -7.601 -13.090 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.688 -6.011 -13.143 1.00 0.00 H new ATOM 216 N GLY A 13 2.549 -8.253 -12.173 1.00 0.00 N ATOM 217 CA GLY A 13 1.985 -9.329 -11.356 1.00 0.00 C ATOM 218 C GLY A 13 0.960 -10.177 -12.115 1.00 0.00 C ATOM 219 O GLY A 13 0.967 -11.399 -11.966 1.00 0.00 O ATOM 0 H GLY A 13 1.986 -7.403 -12.165 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.792 -9.972 -11.003 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.511 -8.899 -10.474 1.00 0.00 H new ATOM 223 N ILE A 14 0.119 -9.571 -12.974 1.00 0.00 N ATOM 224 CA ILE A 14 -0.970 -10.296 -13.670 1.00 0.00 C ATOM 225 C ILE A 14 -0.420 -11.459 -14.502 1.00 0.00 C ATOM 226 O ILE A 14 -0.929 -12.582 -14.435 1.00 0.00 O ATOM 227 CB ILE A 14 -1.798 -9.362 -14.586 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.390 -8.166 -13.816 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.943 -10.143 -15.270 1.00 0.00 C ATOM 230 CD1 ILE A 14 -2.977 -7.095 -14.740 1.00 0.00 C ATOM 0 H ILE A 14 0.170 -8.579 -13.206 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.625 -10.687 -12.891 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.112 -8.976 -15.340 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.168 -8.524 -13.142 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.613 -7.718 -13.197 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.513 -9.468 -15.909 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.524 -10.948 -15.874 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.601 -10.564 -14.510 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.379 -6.278 -14.141 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.195 -6.713 -15.397 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.775 -7.531 -15.341 1.00 0.00 H new ATOM 242 N LYS A 15 0.636 -11.197 -15.284 1.00 0.00 N ATOM 243 CA LYS A 15 1.217 -12.196 -16.189 1.00 0.00 C ATOM 244 C LYS A 15 1.877 -13.350 -15.429 1.00 0.00 C ATOM 245 O LYS A 15 1.724 -14.516 -15.784 1.00 0.00 O ATOM 246 CB LYS A 15 2.216 -11.515 -17.135 1.00 0.00 C ATOM 247 CG LYS A 15 2.526 -12.409 -18.345 1.00 0.00 C ATOM 248 CD LYS A 15 3.734 -11.889 -19.142 1.00 0.00 C ATOM 249 CE LYS A 15 4.901 -12.891 -19.147 1.00 0.00 C ATOM 250 NZ LYS A 15 4.608 -14.100 -19.965 1.00 0.00 N ATOM 0 H LYS A 15 1.108 -10.293 -15.307 1.00 0.00 H new ATOM 0 HA LYS A 15 0.408 -12.633 -16.775 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.808 -10.564 -17.476 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.138 -11.292 -16.597 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.725 -13.425 -18.005 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.653 -12.456 -18.996 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.429 -11.684 -20.168 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.070 -10.944 -18.714 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.795 -12.402 -19.534 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.121 -13.193 -18.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.424 -14.744 -19.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.771 -14.584 -19.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.424 -13.817 -20.949 1.00 0.00 H new ATOM 264 N GLN A 16 2.572 -13.008 -14.350 1.00 0.00 N ATOM 265 CA GLN A 16 3.298 -13.946 -13.497 1.00 0.00 C ATOM 266 C GLN A 16 2.372 -14.893 -12.734 1.00 0.00 C ATOM 267 O GLN A 16 2.616 -16.101 -12.707 1.00 0.00 O ATOM 268 CB GLN A 16 4.207 -13.132 -12.562 1.00 0.00 C ATOM 269 CG GLN A 16 5.637 -13.007 -13.108 1.00 0.00 C ATOM 270 CD GLN A 16 5.757 -12.348 -14.485 1.00 0.00 C ATOM 271 OE1 GLN A 16 5.542 -12.955 -15.526 1.00 0.00 O ATOM 272 NE2 GLN A 16 6.136 -11.091 -14.556 1.00 0.00 N ATOM 0 H GLN A 16 2.649 -12.041 -14.034 1.00 0.00 H new ATOM 0 HA GLN A 16 3.906 -14.602 -14.120 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.785 -12.137 -12.423 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.235 -13.606 -11.581 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.231 -12.434 -12.396 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.076 -14.003 -13.161 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.321 -10.565 -13.702 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.245 -10.642 -15.465 1.00 0.00 H new ATOM 281 N TYR A 17 1.250 -14.383 -12.225 1.00 0.00 N ATOM 282 CA TYR A 17 0.224 -15.198 -11.583 1.00 0.00 C ATOM 283 C TYR A 17 -0.336 -16.299 -12.484 1.00 0.00 C ATOM 284 O TYR A 17 -0.742 -17.347 -11.974 1.00 0.00 O ATOM 285 CB TYR A 17 -0.925 -14.313 -11.095 1.00 0.00 C ATOM 286 CG TYR A 17 -0.708 -13.662 -9.741 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.336 -14.440 -8.623 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.916 -12.279 -9.589 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.135 -13.829 -7.371 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.713 -11.664 -8.339 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.309 -12.438 -7.229 1.00 0.00 C ATOM 292 OH TYR A 17 -0.155 -11.854 -6.010 1.00 0.00 O ATOM 0 H TYR A 17 1.028 -13.388 -12.248 1.00 0.00 H new ATOM 0 HA TYR A 17 0.714 -15.691 -10.743 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.098 -13.530 -11.833 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.832 -14.915 -11.050 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.205 -15.507 -8.729 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.233 -11.687 -10.435 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.153 -14.427 -6.519 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.866 -10.601 -8.229 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.309 -10.889 -6.088 1.00 0.00 H new ATOM 302 N ARG A 18 -0.331 -16.109 -13.812 1.00 0.00 N ATOM 303 CA ARG A 18 -0.790 -17.170 -14.720 1.00 0.00 C ATOM 304 C ARG A 18 0.119 -18.411 -14.727 1.00 0.00 C ATOM 305 O ARG A 18 -0.352 -19.499 -15.052 1.00 0.00 O ATOM 306 CB ARG A 18 -1.049 -16.625 -16.132 1.00 0.00 C ATOM 307 CG ARG A 18 -2.555 -16.424 -16.372 1.00 0.00 C ATOM 308 CD ARG A 18 -2.858 -15.968 -17.803 1.00 0.00 C ATOM 309 NE ARG A 18 -2.375 -14.596 -18.065 1.00 0.00 N ATOM 310 CZ ARG A 18 -2.194 -14.040 -19.252 1.00 0.00 C ATOM 311 NH1 ARG A 18 -2.409 -14.688 -20.362 1.00 0.00 N ATOM 312 NH2 ARG A 18 -1.792 -12.806 -19.348 1.00 0.00 N ATOM 0 H ARG A 18 -0.022 -15.253 -14.272 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.743 -17.520 -14.323 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.526 -15.678 -16.263 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.647 -17.316 -16.873 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.081 -17.357 -16.171 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.938 -15.685 -15.668 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.392 -16.656 -18.508 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.933 -16.012 -17.977 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.160 -14.021 -17.250 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.728 -15.657 -20.334 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.259 -14.227 -21.259 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.614 -12.260 -18.505 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.655 -12.384 -20.267 1.00 0.00 H new ATOM 326 N GLU A 19 1.385 -18.284 -14.317 1.00 0.00 N ATOM 327 CA GLU A 19 2.275 -19.432 -14.071 1.00 0.00 C ATOM 328 C GLU A 19 2.043 -20.095 -12.698 1.00 0.00 C ATOM 329 O GLU A 19 2.232 -21.300 -12.546 1.00 0.00 O ATOM 330 CB GLU A 19 3.747 -18.995 -14.168 1.00 0.00 C ATOM 331 CG GLU A 19 4.456 -19.695 -15.335 1.00 0.00 C ATOM 332 CD GLU A 19 5.957 -19.346 -15.401 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.305 -18.159 -15.617 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.804 -20.263 -15.265 1.00 0.00 O ATOM 0 H GLU A 19 1.826 -17.381 -14.145 1.00 0.00 H new ATOM 0 HA GLU A 19 2.040 -20.169 -14.839 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.801 -17.915 -14.301 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.261 -19.227 -13.235 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.340 -20.774 -15.233 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.977 -19.410 -16.272 1.00 0.00 H new ATOM 341 N ALA A 20 1.642 -19.324 -11.685 1.00 0.00 N ATOM 342 CA ALA A 20 1.520 -19.812 -10.306 1.00 0.00 C ATOM 343 C ALA A 20 0.372 -20.811 -10.069 1.00 0.00 C ATOM 344 O ALA A 20 0.518 -21.703 -9.229 1.00 0.00 O ATOM 345 CB ALA A 20 1.416 -18.607 -9.374 1.00 0.00 C ATOM 0 H ALA A 20 1.392 -18.341 -11.796 1.00 0.00 H new ATOM 0 HA ALA A 20 2.417 -20.393 -10.091 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.325 -18.951 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.310 -17.992 -9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.539 -18.017 -9.639 1.00 0.00 H new ATOM 351 N LEU A 21 -0.740 -20.746 -10.816 1.00 0.00 N ATOM 352 CA LEU A 21 -1.770 -21.802 -10.771 1.00 0.00 C ATOM 353 C LEU A 21 -1.227 -23.160 -11.240 1.00 0.00 C ATOM 354 O LEU A 21 -1.689 -24.194 -10.768 1.00 0.00 O ATOM 355 CB LEU A 21 -3.027 -21.368 -11.544 1.00 0.00 C ATOM 356 CG LEU A 21 -4.207 -22.365 -11.485 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.543 -21.620 -11.454 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.247 -23.291 -12.706 1.00 0.00 C ATOM 0 H LEU A 21 -0.951 -19.980 -11.455 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.061 -21.943 -9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.362 -20.408 -11.152 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.757 -21.210 -12.588 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.056 -22.952 -10.579 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.360 -22.340 -11.413 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.581 -20.977 -10.575 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.641 -21.011 -12.353 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.093 -23.973 -12.618 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.354 -22.694 -13.612 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.322 -23.865 -12.757 1.00 0.00 H new ATOM 370 N GLU A 22 -0.205 -23.186 -12.098 1.00 0.00 N ATOM 371 CA GLU A 22 0.425 -24.445 -12.537 1.00 0.00 C ATOM 372 C GLU A 22 1.180 -25.172 -11.410 1.00 0.00 C ATOM 373 O GLU A 22 1.360 -26.390 -11.468 1.00 0.00 O ATOM 374 CB GLU A 22 1.397 -24.159 -13.692 1.00 0.00 C ATOM 375 CG GLU A 22 1.145 -25.028 -14.929 1.00 0.00 C ATOM 376 CD GLU A 22 -0.103 -24.571 -15.711 1.00 0.00 C ATOM 377 OE1 GLU A 22 -1.222 -25.054 -15.411 1.00 0.00 O ATOM 378 OE2 GLU A 22 0.031 -23.743 -16.647 1.00 0.00 O ATOM 0 H GLU A 22 0.209 -22.349 -12.507 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.382 -25.103 -12.860 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.317 -23.109 -13.973 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.418 -24.320 -13.346 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.017 -24.990 -15.583 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.021 -26.067 -14.623 1.00 0.00 H new ATOM 385 N TYR A 23 1.595 -24.427 -10.383 1.00 0.00 N ATOM 386 CA TYR A 23 2.276 -24.938 -9.189 1.00 0.00 C ATOM 387 C TYR A 23 1.320 -25.143 -8.003 1.00 0.00 C ATOM 388 O TYR A 23 1.410 -26.160 -7.310 1.00 0.00 O ATOM 389 CB TYR A 23 3.418 -23.978 -8.808 1.00 0.00 C ATOM 390 CG TYR A 23 4.785 -24.503 -9.199 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.220 -24.424 -10.537 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.607 -25.105 -8.226 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.476 -24.949 -10.903 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.864 -25.627 -8.587 1.00 0.00 C ATOM 395 CZ TYR A 23 7.301 -25.554 -9.927 1.00 0.00 C ATOM 396 OH TYR A 23 8.514 -26.072 -10.268 1.00 0.00 O ATOM 0 H TYR A 23 1.462 -23.416 -10.358 1.00 0.00 H new ATOM 0 HA TYR A 23 2.680 -25.921 -9.429 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.253 -23.015 -9.291 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.395 -23.803 -7.732 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.591 -23.961 -11.283 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.272 -25.166 -7.201 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.808 -24.889 -11.929 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.494 -26.084 -7.838 1.00 0.00 H new ATOM 0 HH TYR A 23 8.945 -26.447 -9.472 1.00 0.00 H new ATOM 406 N THR A 24 0.393 -24.210 -7.770 1.00 0.00 N ATOM 407 CA THR A 24 -0.529 -24.248 -6.616 1.00 0.00 C ATOM 408 C THR A 24 -1.817 -25.034 -6.881 1.00 0.00 C ATOM 409 O THR A 24 -2.370 -25.628 -5.954 1.00 0.00 O ATOM 410 CB THR A 24 -0.932 -22.837 -6.166 1.00 0.00 C ATOM 411 OG1 THR A 24 -1.612 -22.172 -7.206 1.00 0.00 O ATOM 412 CG2 THR A 24 0.248 -21.966 -5.736 1.00 0.00 C ATOM 0 H THR A 24 0.255 -23.401 -8.375 1.00 0.00 H new ATOM 0 HA THR A 24 0.037 -24.758 -5.836 1.00 0.00 H new ATOM 0 HB THR A 24 -1.573 -22.979 -5.296 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.972 -21.913 -7.902 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.116 -20.985 -5.432 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.762 -22.438 -4.899 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.940 -21.854 -6.570 1.00 0.00 H new ATOM 420 N HIS A 25 -2.299 -25.047 -8.133 1.00 0.00 N ATOM 421 CA HIS A 25 -3.625 -25.528 -8.568 1.00 0.00 C ATOM 422 C HIS A 25 -4.791 -25.103 -7.646 1.00 0.00 C ATOM 423 O HIS A 25 -5.749 -25.856 -7.448 1.00 0.00 O ATOM 424 CB HIS A 25 -3.557 -27.040 -8.864 1.00 0.00 C ATOM 425 CG HIS A 25 -2.857 -27.346 -10.166 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.477 -27.570 -11.382 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.507 -27.394 -10.374 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.519 -27.753 -12.313 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.313 -27.662 -11.717 1.00 0.00 N ATOM 0 H HIS A 25 -1.744 -24.703 -8.916 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.876 -25.022 -9.500 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.036 -27.543 -8.049 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.568 -27.446 -8.895 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.737 -27.250 -9.630 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.689 -27.941 -13.363 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.410 -27.772 -12.179 1.00 0.00 H new ATOM 438 N ASN A 26 -4.720 -23.894 -7.078 1.00 0.00 N ATOM 439 CA ASN A 26 -5.662 -23.402 -6.066 1.00 0.00 C ATOM 440 C ASN A 26 -6.666 -22.371 -6.623 1.00 0.00 C ATOM 441 O ASN A 26 -6.332 -21.618 -7.544 1.00 0.00 O ATOM 442 CB ASN A 26 -4.860 -22.841 -4.871 1.00 0.00 C ATOM 443 CG ASN A 26 -4.858 -23.799 -3.687 1.00 0.00 C ATOM 444 OD1 ASN A 26 -5.129 -23.306 -2.502 1.00 0.00 O flip ATOM 445 ND2 ASN A 26 -4.666 -24.999 -3.806 1.00 0.00 N flip ATOM 0 H ASN A 26 -3.993 -23.218 -7.313 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.276 -24.239 -5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.834 -22.647 -5.182 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.286 -21.886 -4.564 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.455 -25.393 -4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.717 -25.607 -2.989 1.00 0.00 H new ATOM 452 N PRO A 27 -7.868 -22.260 -6.016 1.00 0.00 N ATOM 453 CA PRO A 27 -8.894 -21.290 -6.413 1.00 0.00 C ATOM 454 C PRO A 27 -8.524 -19.837 -6.065 1.00 0.00 C ATOM 455 O PRO A 27 -9.216 -18.906 -6.473 1.00 0.00 O ATOM 456 CB PRO A 27 -10.164 -21.729 -5.670 1.00 0.00 C ATOM 457 CG PRO A 27 -9.620 -22.364 -4.392 1.00 0.00 C ATOM 458 CD PRO A 27 -8.343 -23.046 -4.879 1.00 0.00 C ATOM 0 HA PRO A 27 -9.019 -21.286 -7.496 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.816 -20.883 -5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.748 -22.439 -6.256 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.414 -21.618 -3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.323 -23.078 -3.963 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.593 -23.079 -4.088 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.540 -24.077 -5.174 1.00 0.00 H new ATOM 466 N VAL A 28 -7.440 -19.622 -5.309 1.00 0.00 N ATOM 467 CA VAL A 28 -7.036 -18.295 -4.835 1.00 0.00 C ATOM 468 C VAL A 28 -6.447 -17.439 -5.950 1.00 0.00 C ATOM 469 O VAL A 28 -6.673 -16.237 -5.980 1.00 0.00 O ATOM 470 CB VAL A 28 -6.101 -18.432 -3.622 1.00 0.00 C ATOM 471 CG1 VAL A 28 -4.615 -18.585 -3.952 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.294 -17.247 -2.684 1.00 0.00 C ATOM 0 H VAL A 28 -6.815 -20.370 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.926 -17.759 -4.506 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.390 -19.369 -3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.044 -18.674 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.467 -19.479 -4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.274 -17.711 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.629 -17.350 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.063 -16.323 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.328 -17.220 -2.340 1.00 0.00 H new ATOM 482 N LEU A 29 -5.757 -18.036 -6.926 1.00 0.00 N ATOM 483 CA LEU A 29 -5.275 -17.339 -8.121 1.00 0.00 C ATOM 484 C LEU A 29 -6.439 -16.748 -8.940 1.00 0.00 C ATOM 485 O LEU A 29 -6.358 -15.603 -9.387 1.00 0.00 O ATOM 486 CB LEU A 29 -4.449 -18.331 -8.954 1.00 0.00 C ATOM 487 CG LEU A 29 -3.040 -18.677 -8.438 1.00 0.00 C ATOM 488 CD1 LEU A 29 -2.095 -17.495 -8.617 1.00 0.00 C ATOM 489 CD2 LEU A 29 -2.933 -19.133 -6.987 1.00 0.00 C ATOM 0 H LEU A 29 -5.515 -19.027 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.650 -16.496 -7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.016 -19.258 -9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.351 -17.927 -9.962 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.765 -19.536 -9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.105 -17.761 -8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.029 -17.239 -9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.474 -16.639 -8.059 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.891 -19.345 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.303 -18.346 -6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.529 -20.034 -6.844 1.00 0.00 H new ATOM 501 N ALA A 30 -7.565 -17.471 -9.012 1.00 0.00 N ATOM 502 CA ALA A 30 -8.858 -17.010 -9.538 1.00 0.00 C ATOM 503 C ALA A 30 -9.580 -15.977 -8.629 1.00 0.00 C ATOM 504 O ALA A 30 -10.781 -15.733 -8.775 1.00 0.00 O ATOM 505 CB ALA A 30 -9.726 -18.246 -9.827 1.00 0.00 C ATOM 0 H ALA A 30 -7.601 -18.438 -8.690 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.675 -16.457 -10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.692 -17.928 -10.219 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.226 -18.878 -10.561 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.875 -18.809 -8.906 1.00 0.00 H new ATOM 511 N LYS A 31 -8.840 -15.353 -7.703 1.00 0.00 N ATOM 512 CA LYS A 31 -9.236 -14.247 -6.827 1.00 0.00 C ATOM 513 C LYS A 31 -8.160 -13.161 -6.798 1.00 0.00 C ATOM 514 O LYS A 31 -8.477 -11.994 -7.000 1.00 0.00 O ATOM 515 CB LYS A 31 -9.521 -14.800 -5.411 1.00 0.00 C ATOM 516 CG LYS A 31 -10.743 -14.181 -4.721 1.00 0.00 C ATOM 517 CD LYS A 31 -12.064 -14.680 -5.334 1.00 0.00 C ATOM 518 CE LYS A 31 -13.290 -14.257 -4.513 1.00 0.00 C ATOM 519 NZ LYS A 31 -13.397 -15.002 -3.228 1.00 0.00 N ATOM 0 H LYS A 31 -7.873 -15.632 -7.535 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.144 -13.785 -7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.665 -15.878 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.644 -14.634 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.721 -14.424 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.693 -13.095 -4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.159 -14.293 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.038 -15.767 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.235 -13.188 -4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.193 -14.422 -5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.275 -14.731 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.409 -16.024 -3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.582 -14.772 -2.624 1.00 0.00 H new ATOM 533 N ILE A 32 -6.887 -13.540 -6.652 1.00 0.00 N ATOM 534 CA ILE A 32 -5.760 -12.605 -6.596 1.00 0.00 C ATOM 535 C ILE A 32 -5.575 -11.912 -7.949 1.00 0.00 C ATOM 536 O ILE A 32 -5.817 -10.713 -8.062 1.00 0.00 O ATOM 537 CB ILE A 32 -4.449 -13.277 -6.141 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.532 -14.011 -4.787 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.385 -12.179 -6.001 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.472 -15.118 -4.705 1.00 0.00 C ATOM 0 H ILE A 32 -6.607 -14.517 -6.568 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.003 -11.857 -5.842 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.214 -14.030 -6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.387 -13.301 -3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.525 -14.442 -4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.443 -12.624 -5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.243 -11.685 -6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.712 -11.448 -5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.547 -15.623 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.635 -15.838 -5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.479 -14.680 -4.808 1.00 0.00 H new ATOM 552 N LEU A 33 -5.201 -12.657 -8.997 1.00 0.00 N ATOM 553 CA LEU A 33 -4.991 -12.080 -10.331 1.00 0.00 C ATOM 554 C LEU A 33 -6.329 -11.674 -10.969 1.00 0.00 C ATOM 555 O LEU A 33 -6.374 -10.748 -11.770 1.00 0.00 O ATOM 556 CB LEU A 33 -4.117 -13.024 -11.190 1.00 0.00 C ATOM 557 CG LEU A 33 -4.873 -13.962 -12.150 1.00 0.00 C ATOM 558 CD1 LEU A 33 -4.942 -13.400 -13.571 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.249 -15.355 -12.244 1.00 0.00 C ATOM 0 H LEU A 33 -5.037 -13.663 -8.947 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.427 -11.151 -10.253 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.429 -12.415 -11.776 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.511 -13.634 -10.520 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.872 -14.039 -11.720 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.484 -14.096 -14.212 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.459 -12.441 -13.558 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.932 -13.263 -13.957 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.828 -15.967 -12.936 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.224 -15.271 -12.605 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.250 -15.821 -11.259 1.00 0.00 H new ATOM 571 N GLU A 34 -7.427 -12.319 -10.560 1.00 0.00 N ATOM 572 CA GLU A 34 -8.789 -11.926 -10.917 1.00 0.00 C ATOM 573 C GLU A 34 -9.124 -10.508 -10.417 1.00 0.00 C ATOM 574 O GLU A 34 -9.904 -9.795 -11.052 1.00 0.00 O ATOM 575 CB GLU A 34 -9.773 -12.969 -10.369 1.00 0.00 C ATOM 576 CG GLU A 34 -11.229 -12.805 -10.830 1.00 0.00 C ATOM 577 CD GLU A 34 -11.412 -12.963 -12.354 1.00 0.00 C ATOM 578 OE1 GLU A 34 -10.885 -13.937 -12.944 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.122 -12.129 -12.968 1.00 0.00 O ATOM 0 H GLU A 34 -7.390 -13.144 -9.961 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.875 -11.893 -12.003 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.426 -13.960 -10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.748 -12.931 -9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.849 -13.542 -10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.589 -11.821 -10.529 1.00 0.00 H new ATOM 586 N ASP A 35 -8.517 -10.055 -9.314 1.00 0.00 N ATOM 587 CA ASP A 35 -8.534 -8.649 -8.928 1.00 0.00 C ATOM 588 C ASP A 35 -7.477 -7.788 -9.631 1.00 0.00 C ATOM 589 O ASP A 35 -7.805 -6.705 -10.112 1.00 0.00 O ATOM 590 CB ASP A 35 -8.340 -8.495 -7.424 1.00 0.00 C ATOM 591 CG ASP A 35 -9.400 -9.130 -6.514 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.555 -9.352 -6.960 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.062 -9.338 -5.326 1.00 0.00 O ATOM 0 H ASP A 35 -8.003 -10.655 -8.669 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.515 -8.291 -9.240 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.371 -8.920 -7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.293 -7.430 -7.196 1.00 0.00 H new ATOM 598 N GLU A 36 -6.222 -8.233 -9.747 1.00 0.00 N ATOM 599 CA GLU A 36 -5.200 -7.465 -10.471 1.00 0.00 C ATOM 600 C GLU A 36 -5.586 -7.181 -11.939 1.00 0.00 C ATOM 601 O GLU A 36 -5.140 -6.181 -12.499 1.00 0.00 O ATOM 602 CB GLU A 36 -3.834 -8.171 -10.392 1.00 0.00 C ATOM 603 CG GLU A 36 -3.300 -8.540 -8.994 1.00 0.00 C ATOM 604 CD GLU A 36 -2.965 -7.366 -8.071 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.470 -6.232 -8.247 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.198 -7.529 -7.079 1.00 0.00 O ATOM 0 H GLU A 36 -5.890 -9.113 -9.353 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.129 -6.496 -9.977 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.895 -9.086 -10.981 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.096 -7.530 -10.875 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.041 -9.166 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.403 -9.146 -9.118 1.00 0.00 H new ATOM 613 N GLU A 37 -6.472 -7.986 -12.541 1.00 0.00 N ATOM 614 CA GLU A 37 -6.942 -7.796 -13.927 1.00 0.00 C ATOM 615 C GLU A 37 -7.808 -6.531 -14.070 1.00 0.00 C ATOM 616 O GLU A 37 -7.796 -5.862 -15.106 1.00 0.00 O ATOM 617 CB GLU A 37 -7.735 -9.036 -14.386 1.00 0.00 C ATOM 618 CG GLU A 37 -7.908 -9.089 -15.911 1.00 0.00 C ATOM 619 CD GLU A 37 -8.853 -10.229 -16.337 1.00 0.00 C ATOM 620 OE1 GLU A 37 -8.394 -11.388 -16.480 1.00 0.00 O ATOM 621 OE2 GLU A 37 -10.060 -9.965 -16.564 1.00 0.00 O ATOM 0 H GLU A 37 -6.888 -8.795 -12.079 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.065 -7.667 -14.561 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.222 -9.937 -14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.716 -9.032 -13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.303 -8.137 -16.266 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.935 -9.227 -16.383 1.00 0.00 H new ATOM 628 N LYS A 38 -8.530 -6.182 -12.997 1.00 0.00 N ATOM 629 CA LYS A 38 -9.440 -5.034 -12.905 1.00 0.00 C ATOM 630 C LYS A 38 -8.807 -3.829 -12.217 1.00 0.00 C ATOM 631 O LYS A 38 -9.138 -2.706 -12.581 1.00 0.00 O ATOM 632 CB LYS A 38 -10.771 -5.491 -12.276 1.00 0.00 C ATOM 633 CG LYS A 38 -10.687 -6.182 -10.917 1.00 0.00 C ATOM 634 CD LYS A 38 -12.094 -6.533 -10.418 1.00 0.00 C ATOM 635 CE LYS A 38 -12.002 -7.247 -9.069 1.00 0.00 C ATOM 636 NZ LYS A 38 -11.984 -8.725 -9.223 1.00 0.00 N ATOM 0 H LYS A 38 -8.493 -6.718 -12.130 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.656 -4.670 -13.909 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.416 -4.618 -12.174 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.261 -6.171 -12.973 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.084 -7.087 -10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.190 -5.530 -10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.692 -5.627 -10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.599 -7.171 -11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.100 -6.925 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.849 -6.957 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.686 -9.164 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.937 -9.060 -9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.317 -8.987 -9.976 1.00 0.00 H new ATOM 650 N HIS A 39 -7.828 -4.028 -11.330 1.00 0.00 N ATOM 651 CA HIS A 39 -7.087 -2.986 -10.626 1.00 0.00 C ATOM 652 C HIS A 39 -6.457 -1.922 -11.528 1.00 0.00 C ATOM 653 O HIS A 39 -6.609 -0.736 -11.251 1.00 0.00 O ATOM 654 CB HIS A 39 -5.993 -3.683 -9.828 1.00 0.00 C ATOM 655 CG HIS A 39 -6.395 -4.186 -8.479 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.485 -4.429 -7.446 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.665 -4.441 -8.055 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.252 -4.824 -6.408 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.554 -4.845 -6.748 1.00 0.00 N ATOM 0 H HIS A 39 -7.518 -4.965 -11.074 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.796 -2.443 -10.002 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.622 -4.524 -10.413 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.161 -2.989 -9.704 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.574 -4.345 -8.630 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.871 -5.088 -5.433 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.326 -5.115 -6.139 1.00 0.00 H new ATOM 667 N ILE A 40 -5.760 -2.319 -12.597 1.00 0.00 N ATOM 668 CA ILE A 40 -5.094 -1.344 -13.490 1.00 0.00 C ATOM 669 C ILE A 40 -6.116 -0.401 -14.135 1.00 0.00 C ATOM 670 O ILE A 40 -5.930 0.817 -14.134 1.00 0.00 O ATOM 671 CB ILE A 40 -4.242 -2.042 -14.572 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.181 -2.924 -13.889 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.551 -1.010 -15.489 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.299 -3.678 -14.880 1.00 0.00 C ATOM 0 H ILE A 40 -5.638 -3.294 -12.870 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.420 -0.752 -12.871 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.898 -2.656 -15.189 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.552 -2.299 -13.255 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.679 -3.641 -13.237 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.958 -1.531 -16.241 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.306 -0.398 -15.982 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.900 -0.371 -14.892 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.573 -4.281 -14.335 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.919 -4.328 -15.498 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.775 -2.965 -15.516 1.00 0.00 H new ATOM 686 N GLU A 41 -7.217 -0.948 -14.653 1.00 0.00 N ATOM 687 CA GLU A 41 -8.276 -0.140 -15.260 1.00 0.00 C ATOM 688 C GLU A 41 -9.062 0.661 -14.211 1.00 0.00 C ATOM 689 O GLU A 41 -9.424 1.811 -14.458 1.00 0.00 O ATOM 690 CB GLU A 41 -9.181 -1.030 -16.127 1.00 0.00 C ATOM 691 CG GLU A 41 -9.720 -0.252 -17.334 1.00 0.00 C ATOM 692 CD GLU A 41 -10.474 -1.182 -18.304 1.00 0.00 C ATOM 693 OE1 GLU A 41 -9.832 -1.768 -19.211 1.00 0.00 O ATOM 694 OE2 GLU A 41 -11.714 -1.327 -18.176 1.00 0.00 O ATOM 0 H GLU A 41 -7.399 -1.952 -14.664 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.816 0.604 -15.911 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.621 -1.900 -16.471 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.012 -1.402 -15.529 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.387 0.539 -16.992 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.895 0.231 -17.857 1.00 0.00 H new ATOM 701 N TRP A 42 -9.231 0.106 -13.005 1.00 0.00 N ATOM 702 CA TRP A 42 -9.758 0.804 -11.826 1.00 0.00 C ATOM 703 C TRP A 42 -8.998 2.099 -11.462 1.00 0.00 C ATOM 704 O TRP A 42 -9.639 3.076 -11.084 1.00 0.00 O ATOM 705 CB TRP A 42 -9.841 -0.217 -10.672 1.00 0.00 C ATOM 706 CG TRP A 42 -11.084 -1.054 -10.598 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.089 -1.090 -11.505 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.462 -2.006 -9.555 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.071 -1.959 -11.079 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.750 -2.534 -9.869 1.00 0.00 C ATOM 711 CE3 TRP A 42 -10.843 -2.481 -8.377 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.411 -3.449 -9.035 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.482 -3.426 -7.552 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.765 -3.904 -7.872 1.00 0.00 C ATOM 0 H TRP A 42 -8.998 -0.869 -12.817 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.756 1.178 -12.052 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.984 -0.887 -10.749 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.739 0.324 -9.731 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.117 -0.523 -12.424 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -13.929 -2.152 -11.596 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.865 -2.113 -8.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.402 -3.799 -9.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.982 -3.787 -6.665 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.253 -4.619 -7.226 1.00 0.00 H new ATOM 725 N LEU A 43 -7.674 2.185 -11.648 1.00 0.00 N ATOM 726 CA LEU A 43 -6.899 3.444 -11.506 1.00 0.00 C ATOM 727 C LEU A 43 -7.286 4.514 -12.531 1.00 0.00 C ATOM 728 O LEU A 43 -7.321 5.703 -12.220 1.00 0.00 O ATOM 729 CB LEU A 43 -5.389 3.179 -11.628 1.00 0.00 C ATOM 730 CG LEU A 43 -4.869 2.192 -10.581 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.446 1.753 -10.899 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.880 2.781 -9.172 1.00 0.00 C ATOM 0 H LEU A 43 -7.098 1.382 -11.903 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.143 3.822 -10.513 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.173 2.791 -12.624 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.851 4.122 -11.529 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.545 1.338 -10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.103 1.052 -10.138 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.424 1.268 -11.875 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.791 2.624 -10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.502 2.042 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.246 3.668 -9.143 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.899 3.055 -8.900 1.00 0.00 H new ATOM 744 N GLU A 44 -7.594 4.095 -13.752 1.00 0.00 N ATOM 745 CA GLU A 44 -8.069 4.988 -14.817 1.00 0.00 C ATOM 746 C GLU A 44 -9.503 5.466 -14.580 1.00 0.00 C ATOM 747 O GLU A 44 -9.818 6.633 -14.810 1.00 0.00 O ATOM 748 CB GLU A 44 -8.006 4.246 -16.159 1.00 0.00 C ATOM 749 CG GLU A 44 -7.278 5.041 -17.248 1.00 0.00 C ATOM 750 CD GLU A 44 -5.744 5.014 -17.092 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.205 5.712 -16.200 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.069 4.324 -17.894 1.00 0.00 O ATOM 0 H GLU A 44 -7.523 3.119 -14.040 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.423 5.866 -14.823 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.502 3.290 -16.016 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.019 4.025 -16.494 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.545 4.637 -18.225 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.622 6.075 -17.226 1.00 0.00 H new ATOM 759 N THR A 45 -10.360 4.579 -14.072 1.00 0.00 N ATOM 760 CA THR A 45 -11.732 4.890 -13.653 1.00 0.00 C ATOM 761 C THR A 45 -11.792 6.103 -12.718 1.00 0.00 C ATOM 762 O THR A 45 -12.665 6.959 -12.871 1.00 0.00 O ATOM 763 CB THR A 45 -12.405 3.677 -12.999 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.482 2.593 -13.901 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.820 3.962 -12.502 1.00 0.00 C ATOM 0 H THR A 45 -10.115 3.598 -13.936 1.00 0.00 H new ATOM 0 HA THR A 45 -12.283 5.145 -14.558 1.00 0.00 H new ATOM 0 HB THR A 45 -11.776 3.434 -12.142 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.581 2.250 -14.077 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.236 3.061 -12.051 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.791 4.759 -11.759 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.445 4.270 -13.340 1.00 0.00 H new ATOM 773 N ILE A 46 -10.825 6.220 -11.799 1.00 0.00 N ATOM 774 CA ILE A 46 -10.678 7.371 -10.884 1.00 0.00 C ATOM 775 C ILE A 46 -10.623 8.712 -11.633 1.00 0.00 C ATOM 776 O ILE A 46 -11.247 9.692 -11.216 1.00 0.00 O ATOM 777 CB ILE A 46 -9.418 7.224 -9.993 1.00 0.00 C ATOM 778 CG1 ILE A 46 -9.417 5.938 -9.141 1.00 0.00 C ATOM 779 CG2 ILE A 46 -9.251 8.442 -9.071 1.00 0.00 C ATOM 780 CD1 ILE A 46 -8.056 5.615 -8.502 1.00 0.00 C ATOM 0 H ILE A 46 -10.108 5.508 -11.664 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.567 7.372 -10.253 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.577 7.160 -10.683 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.163 6.036 -8.353 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.722 5.099 -9.767 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.360 8.314 -8.457 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.149 9.344 -9.675 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.126 8.533 -8.427 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.136 4.697 -7.919 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.309 5.484 -9.285 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.757 6.435 -7.849 1.00 0.00 H new ATOM 792 N LEU A 47 -9.884 8.758 -12.742 1.00 0.00 N ATOM 793 CA LEU A 47 -9.599 9.998 -13.474 1.00 0.00 C ATOM 794 C LEU A 47 -10.824 10.636 -14.162 1.00 0.00 C ATOM 795 O LEU A 47 -10.818 11.845 -14.408 1.00 0.00 O ATOM 796 CB LEU A 47 -8.468 9.775 -14.496 1.00 0.00 C ATOM 797 CG LEU A 47 -7.092 9.453 -13.881 1.00 0.00 C ATOM 798 CD1 LEU A 47 -6.106 9.123 -15.001 1.00 0.00 C ATOM 799 CD2 LEU A 47 -6.522 10.631 -13.087 1.00 0.00 C ATOM 0 H LEU A 47 -9.462 7.930 -13.163 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.283 10.714 -12.715 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.753 8.959 -15.159 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.374 10.669 -15.113 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.230 8.610 -13.203 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.131 8.894 -14.571 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.467 8.260 -15.561 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.016 9.979 -15.670 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.552 10.356 -12.673 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.404 11.491 -13.746 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.203 10.886 -12.275 1.00 0.00 H new ATOM 811 N GLY A 48 -11.868 9.857 -14.468 1.00 0.00 N ATOM 812 CA GLY A 48 -13.089 10.359 -15.120 1.00 0.00 C ATOM 813 C GLY A 48 -14.003 9.292 -15.739 1.00 0.00 C ATOM 814 O GLY A 48 -14.736 9.577 -16.687 1.00 0.00 O ATOM 0 H GLY A 48 -11.892 8.857 -14.271 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.665 10.922 -14.386 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.798 11.060 -15.903 1.00 0.00 H new HETATM 818 N NH2 A 49 -13.969 8.051 -15.269 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 11.199 -18.978 -4.801 1.00 0.00 C HETATM 823 O ACE B 0 10.308 -18.348 -4.234 1.00 0.00 O HETATM 824 CH3 ACE B 0 11.175 -20.487 -4.819 1.00 0.00 C HETATM 0 H1 ACE B 0 11.136 -20.838 -5.850 1.00 0.00 H new HETATM 0 H2 ACE B 0 12.075 -20.871 -4.339 1.00 0.00 H new HETATM 0 H3 ACE B 0 10.296 -20.843 -4.281 1.00 0.00 H new ATOM 828 N ASP B 1 12.208 -18.395 -5.449 1.00 0.00 N ATOM 829 CA ASP B 1 12.437 -16.939 -5.541 1.00 0.00 C ATOM 830 C ASP B 1 11.239 -16.146 -6.093 1.00 0.00 C ATOM 831 O ASP B 1 11.050 -14.974 -5.770 1.00 0.00 O ATOM 832 CB ASP B 1 13.666 -16.696 -6.424 1.00 0.00 C ATOM 833 CG ASP B 1 14.153 -15.235 -6.372 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.540 -14.757 -5.278 1.00 0.00 O ATOM 835 OD2 ASP B 1 14.187 -14.574 -7.438 1.00 0.00 O ATOM 0 H ASP B 1 12.917 -18.936 -5.944 1.00 0.00 H new ATOM 0 HA ASP B 1 12.590 -16.575 -4.525 1.00 0.00 H new ATOM 0 HB2 ASP B 1 14.473 -17.356 -6.106 1.00 0.00 H new ATOM 0 HB3 ASP B 1 13.426 -16.959 -7.454 1.00 0.00 H new ATOM 840 N TYR B 2 10.396 -16.809 -6.884 1.00 0.00 N ATOM 841 CA TYR B 2 9.113 -16.298 -7.375 1.00 0.00 C ATOM 842 C TYR B 2 8.223 -15.699 -6.272 1.00 0.00 C ATOM 843 O TYR B 2 7.664 -14.616 -6.440 1.00 0.00 O ATOM 844 CB TYR B 2 8.381 -17.454 -8.074 1.00 0.00 C ATOM 845 CG TYR B 2 6.999 -17.082 -8.574 1.00 0.00 C ATOM 846 CD1 TYR B 2 6.856 -16.427 -9.813 1.00 0.00 C ATOM 847 CD2 TYR B 2 5.869 -17.331 -7.770 1.00 0.00 C ATOM 848 CE1 TYR B 2 5.587 -15.984 -10.228 1.00 0.00 C ATOM 849 CE2 TYR B 2 4.602 -16.878 -8.179 1.00 0.00 C ATOM 850 CZ TYR B 2 4.463 -16.177 -9.396 1.00 0.00 C ATOM 851 OH TYR B 2 3.258 -15.660 -9.755 1.00 0.00 O ATOM 0 H TYR B 2 10.594 -17.754 -7.214 1.00 0.00 H new ATOM 0 HA TYR B 2 9.320 -15.478 -8.063 1.00 0.00 H new ATOM 0 HB2 TYR B 2 8.982 -17.798 -8.915 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.295 -18.291 -7.381 1.00 0.00 H new ATOM 0 HD1 TYR B 2 7.718 -16.265 -10.443 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.976 -17.870 -6.840 1.00 0.00 H new ATOM 0 HE1 TYR B 2 5.472 -15.496 -11.184 1.00 0.00 H new ATOM 0 HE2 TYR B 2 3.736 -17.066 -7.562 1.00 0.00 H new ATOM 0 HH TYR B 2 2.590 -15.884 -9.074 1.00 0.00 H new ATOM 861 N LEU B 3 8.111 -16.379 -5.128 1.00 0.00 N ATOM 862 CA LEU B 3 7.300 -15.914 -3.995 1.00 0.00 C ATOM 863 C LEU B 3 7.899 -14.646 -3.373 1.00 0.00 C ATOM 864 O LEU B 3 7.184 -13.671 -3.141 1.00 0.00 O ATOM 865 CB LEU B 3 7.170 -17.042 -2.954 1.00 0.00 C ATOM 866 CG LEU B 3 6.393 -18.268 -3.470 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.552 -19.429 -2.492 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.894 -17.987 -3.640 1.00 0.00 C ATOM 0 H LEU B 3 8.580 -17.269 -4.959 1.00 0.00 H new ATOM 0 HA LEU B 3 6.304 -15.656 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.167 -17.357 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.670 -16.652 -2.068 1.00 0.00 H new ATOM 0 HG LEU B 3 6.809 -18.515 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.001 -20.294 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.608 -19.684 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.161 -19.139 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.395 -18.884 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.466 -17.700 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.755 -17.177 -4.356 1.00 0.00 H new ATOM 880 N ARG B 4 9.225 -14.615 -3.186 1.00 0.00 N ATOM 881 CA ARG B 4 9.956 -13.410 -2.749 1.00 0.00 C ATOM 882 C ARG B 4 9.757 -12.235 -3.716 1.00 0.00 C ATOM 883 O ARG B 4 9.518 -11.116 -3.265 1.00 0.00 O ATOM 884 CB ARG B 4 11.441 -13.751 -2.534 1.00 0.00 C ATOM 885 CG ARG B 4 12.262 -12.538 -2.070 1.00 0.00 C ATOM 886 CD ARG B 4 13.704 -12.941 -1.739 1.00 0.00 C ATOM 887 NE ARG B 4 14.528 -11.756 -1.428 1.00 0.00 N ATOM 888 CZ ARG B 4 15.301 -11.080 -2.259 1.00 0.00 C ATOM 889 NH1 ARG B 4 15.445 -11.417 -3.511 1.00 0.00 N ATOM 890 NH2 ARG B 4 15.951 -10.031 -1.842 1.00 0.00 N ATOM 0 H ARG B 4 9.826 -15.426 -3.333 1.00 0.00 H new ATOM 0 HA ARG B 4 9.544 -13.080 -1.796 1.00 0.00 H new ATOM 0 HB2 ARG B 4 11.524 -14.547 -1.794 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.860 -14.135 -3.464 1.00 0.00 H new ATOM 0 HG2 ARG B 4 12.264 -11.777 -2.850 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.795 -12.093 -1.191 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.708 -13.624 -0.890 1.00 0.00 H new ATOM 0 HD3 ARG B 4 14.138 -13.478 -2.582 1.00 0.00 H new ATOM 0 HE ARG B 4 14.497 -11.422 -0.465 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.951 -12.229 -3.881 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.052 -10.868 -4.120 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.864 -9.730 -0.871 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.547 -9.511 -2.486 1.00 0.00 H new ATOM 904 N GLU B 5 9.801 -12.480 -5.027 1.00 0.00 N ATOM 905 CA GLU B 5 9.527 -11.464 -6.053 1.00 0.00 C ATOM 906 C GLU B 5 8.090 -10.910 -5.959 1.00 0.00 C ATOM 907 O GLU B 5 7.871 -9.710 -6.130 1.00 0.00 O ATOM 908 CB GLU B 5 9.829 -12.058 -7.439 1.00 0.00 C ATOM 909 CG GLU B 5 9.643 -11.060 -8.588 1.00 0.00 C ATOM 910 CD GLU B 5 10.122 -11.659 -9.923 1.00 0.00 C ATOM 911 OE1 GLU B 5 9.348 -12.398 -10.579 1.00 0.00 O ATOM 912 OE2 GLU B 5 11.276 -11.382 -10.338 1.00 0.00 O ATOM 0 H GLU B 5 10.030 -13.396 -5.413 1.00 0.00 H new ATOM 0 HA GLU B 5 10.180 -10.608 -5.884 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.855 -12.427 -7.451 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.179 -12.917 -7.606 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.592 -10.782 -8.666 1.00 0.00 H new ATOM 0 HG3 GLU B 5 10.199 -10.147 -8.375 1.00 0.00 H new ATOM 919 N LEU B 6 7.120 -11.770 -5.630 1.00 0.00 N ATOM 920 CA LEU B 6 5.707 -11.424 -5.442 1.00 0.00 C ATOM 921 C LEU B 6 5.455 -10.501 -4.240 1.00 0.00 C ATOM 922 O LEU B 6 4.865 -9.431 -4.396 1.00 0.00 O ATOM 923 CB LEU B 6 4.904 -12.741 -5.335 1.00 0.00 C ATOM 924 CG LEU B 6 3.974 -12.946 -6.534 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.713 -13.021 -7.875 1.00 0.00 C ATOM 926 CD2 LEU B 6 3.196 -14.249 -6.366 1.00 0.00 C ATOM 0 H LEU B 6 7.304 -12.762 -5.482 1.00 0.00 H new ATOM 0 HA LEU B 6 5.374 -10.845 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.594 -13.582 -5.264 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.316 -12.733 -4.417 1.00 0.00 H new ATOM 0 HG LEU B 6 3.318 -12.076 -6.555 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.993 -13.167 -8.680 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.260 -12.093 -8.041 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.413 -13.857 -7.859 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.535 -14.391 -7.221 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.894 -15.084 -6.304 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.603 -14.203 -5.453 1.00 0.00 H new ATOM 938 N LEU B 7 5.908 -10.895 -3.047 1.00 0.00 N ATOM 939 CA LEU B 7 5.740 -10.110 -1.813 1.00 0.00 C ATOM 940 C LEU B 7 6.391 -8.707 -1.864 1.00 0.00 C ATOM 941 O LEU B 7 5.838 -7.751 -1.313 1.00 0.00 O ATOM 942 CB LEU B 7 6.264 -10.888 -0.582 1.00 0.00 C ATOM 943 CG LEU B 7 5.277 -11.924 0.002 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.485 -13.326 -0.558 1.00 0.00 C ATOM 945 CD2 LEU B 7 5.421 -12.022 1.523 1.00 0.00 C ATOM 0 H LEU B 7 6.406 -11.774 -2.905 1.00 0.00 H new ATOM 0 HA LEU B 7 4.666 -9.951 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.185 -11.401 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.521 -10.173 0.199 1.00 0.00 H new ATOM 0 HG LEU B 7 4.287 -11.567 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.762 -14.008 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.347 -13.310 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.495 -13.664 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.715 -12.758 1.909 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.437 -12.328 1.773 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.213 -11.050 1.971 1.00 0.00 H new ATOM 957 N LYS B 8 7.553 -8.558 -2.518 1.00 0.00 N ATOM 958 CA LYS B 8 8.427 -7.385 -2.512 1.00 0.00 C ATOM 959 C LYS B 8 7.988 -6.361 -3.563 1.00 0.00 C ATOM 960 O LYS B 8 8.656 -6.134 -4.573 1.00 0.00 O ATOM 961 CB LYS B 8 9.830 -7.962 -2.717 1.00 0.00 C ATOM 962 CG LYS B 8 10.986 -6.966 -2.659 1.00 0.00 C ATOM 963 CD LYS B 8 12.294 -7.766 -2.624 1.00 0.00 C ATOM 964 CE LYS B 8 13.475 -6.857 -2.940 1.00 0.00 C ATOM 965 NZ LYS B 8 13.661 -6.663 -4.405 1.00 0.00 N ATOM 0 H LYS B 8 7.928 -9.305 -3.102 1.00 0.00 H new ATOM 0 HA LYS B 8 8.391 -6.812 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.999 -8.727 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.857 -8.461 -3.686 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.965 -6.306 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.901 -6.334 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS B 8 12.426 -8.218 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS B 8 12.250 -8.581 -3.346 1.00 0.00 H new ATOM 0 HE2 LYS B 8 13.323 -5.888 -2.464 1.00 0.00 H new ATOM 0 HE3 LYS B 8 14.383 -7.283 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 14.475 -6.038 -4.572 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 13.832 -7.583 -4.858 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 12.805 -6.232 -4.810 1.00 0.00 H new ATOM 979 N GLY B 9 6.807 -5.786 -3.344 1.00 0.00 N ATOM 980 CA GLY B 9 6.201 -4.819 -4.244 1.00 0.00 C ATOM 981 C GLY B 9 4.705 -4.598 -4.104 1.00 0.00 C ATOM 982 O GLY B 9 4.225 -3.497 -4.360 1.00 0.00 O ATOM 0 H GLY B 9 6.238 -5.985 -2.521 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.701 -3.861 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.404 -5.134 -5.268 1.00 0.00 H new ATOM 986 N GLU B 10 3.968 -5.593 -3.620 1.00 0.00 N ATOM 987 CA GLU B 10 2.541 -5.442 -3.304 1.00 0.00 C ATOM 988 C GLU B 10 2.304 -4.307 -2.285 1.00 0.00 C ATOM 989 O GLU B 10 1.345 -3.556 -2.426 1.00 0.00 O ATOM 990 CB GLU B 10 1.978 -6.791 -2.816 1.00 0.00 C ATOM 991 CG GLU B 10 1.810 -7.858 -3.914 1.00 0.00 C ATOM 992 CD GLU B 10 0.487 -7.718 -4.670 1.00 0.00 C ATOM 993 OE1 GLU B 10 0.205 -6.848 -5.517 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.557 -8.372 -4.476 1.00 0.00 O ATOM 0 H GLU B 10 4.336 -6.526 -3.434 1.00 0.00 H new ATOM 0 HA GLU B 10 2.004 -5.154 -4.208 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.638 -7.186 -2.044 1.00 0.00 H new ATOM 0 HB3 GLU B 10 1.009 -6.616 -2.348 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.638 -7.782 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.864 -8.849 -3.464 1.00 0.00 H new ATOM 1001 N LEU B 11 3.225 -4.075 -1.340 1.00 0.00 N ATOM 1002 CA LEU B 11 3.236 -2.984 -0.366 1.00 0.00 C ATOM 1003 C LEU B 11 3.867 -1.684 -0.848 1.00 0.00 C ATOM 1004 O LEU B 11 3.539 -0.618 -0.330 1.00 0.00 O ATOM 1005 CB LEU B 11 3.868 -3.583 0.891 1.00 0.00 C ATOM 1006 CG LEU B 11 5.387 -3.762 0.759 1.00 0.00 C ATOM 1007 CD1 LEU B 11 6.125 -2.598 1.417 1.00 0.00 C ATOM 1008 CD2 LEU B 11 5.825 -5.084 1.374 1.00 0.00 C ATOM 0 H LEU B 11 4.034 -4.687 -1.232 1.00 0.00 H new ATOM 0 HA LEU B 11 2.223 -2.633 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.654 -2.938 1.743 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.409 -4.549 1.099 1.00 0.00 H new ATOM 0 HG LEU B 11 5.639 -3.774 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.200 -2.743 1.313 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.837 -1.665 0.934 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.866 -2.554 2.475 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.905 -5.193 1.271 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.558 -5.100 2.431 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.327 -5.907 0.861 1.00 0.00 H new ATOM 1020 N GLN B 12 4.643 -1.763 -1.922 1.00 0.00 N ATOM 1021 CA GLN B 12 4.952 -0.630 -2.776 1.00 0.00 C ATOM 1022 C GLN B 12 3.715 -0.194 -3.599 1.00 0.00 C ATOM 1023 O GLN B 12 3.733 0.868 -4.217 1.00 0.00 O ATOM 1024 CB GLN B 12 6.201 -0.977 -3.608 1.00 0.00 C ATOM 1025 CG GLN B 12 7.109 0.235 -3.859 1.00 0.00 C ATOM 1026 CD GLN B 12 8.549 -0.205 -4.129 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.955 -0.468 -5.254 1.00 0.00 O ATOM 1028 NE2 GLN B 12 9.371 -0.327 -3.105 1.00 0.00 N ATOM 0 H GLN B 12 5.081 -2.632 -2.226 1.00 0.00 H new ATOM 0 HA GLN B 12 5.197 0.253 -2.186 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.771 -1.751 -3.093 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.889 -1.395 -4.565 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.734 0.805 -4.709 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.084 0.898 -2.994 1.00 0.00 H new ATOM 0 HE21 GLN B 12 9.047 -0.111 -2.162 1.00 0.00 H new ATOM 0 HE22 GLN B 12 10.331 -0.637 -3.256 1.00 0.00 H new ATOM 1037 N GLY B 13 2.613 -0.966 -3.533 1.00 0.00 N ATOM 1038 CA GLY B 13 1.253 -0.554 -3.884 1.00 0.00 C ATOM 1039 C GLY B 13 0.415 -0.176 -2.653 1.00 0.00 C ATOM 1040 O GLY B 13 -0.044 0.959 -2.583 1.00 0.00 O ATOM 0 H GLY B 13 2.656 -1.935 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.299 0.297 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.759 -1.364 -4.421 1.00 0.00 H new ATOM 1044 N ILE B 14 0.263 -1.056 -1.647 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.627 -0.846 -0.471 1.00 0.00 C ATOM 1046 C ILE B 14 -0.377 0.512 0.205 1.00 0.00 C ATOM 1047 O ILE B 14 -1.306 1.305 0.382 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.503 -1.988 0.574 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.952 -3.353 0.011 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.323 -1.711 1.850 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.343 -4.553 0.746 1.00 0.00 C ATOM 0 H ILE B 14 0.758 -1.948 -1.620 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.644 -0.854 -0.862 1.00 0.00 H new ATOM 0 HB ILE B 14 0.558 -2.024 0.821 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -2.039 -3.419 0.065 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.681 -3.408 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.202 -2.540 2.548 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.971 -0.790 2.316 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.376 -1.607 1.590 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.704 -5.477 0.295 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.744 -4.513 0.671 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.635 -4.523 1.796 1.00 0.00 H new ATOM 1063 N LYS B 15 0.883 0.801 0.561 1.00 0.00 N ATOM 1064 CA LYS B 15 1.261 2.021 1.285 1.00 0.00 C ATOM 1065 C LYS B 15 1.323 3.273 0.397 1.00 0.00 C ATOM 1066 O LYS B 15 1.196 4.383 0.913 1.00 0.00 O ATOM 1067 CB LYS B 15 2.561 1.789 2.079 1.00 0.00 C ATOM 1068 CG LYS B 15 2.274 0.993 3.367 1.00 0.00 C ATOM 1069 CD LYS B 15 3.553 0.697 4.166 1.00 0.00 C ATOM 1070 CE LYS B 15 3.267 0.325 5.632 1.00 0.00 C ATOM 1071 NZ LYS B 15 2.478 -0.929 5.775 1.00 0.00 N ATOM 0 H LYS B 15 1.673 0.190 0.353 1.00 0.00 H new ATOM 0 HA LYS B 15 0.461 2.234 1.994 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.279 1.248 1.462 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.016 2.747 2.331 1.00 0.00 H new ATOM 0 HG2 LYS B 15 1.580 1.555 3.992 1.00 0.00 H new ATOM 0 HG3 LYS B 15 1.783 0.054 3.110 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.094 -0.119 3.688 1.00 0.00 H new ATOM 0 HD3 LYS B 15 4.204 1.571 4.138 1.00 0.00 H new ATOM 0 HE2 LYS B 15 4.212 0.214 6.163 1.00 0.00 H new ATOM 0 HE3 LYS B 15 2.727 1.143 6.109 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 2.318 -1.126 6.784 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 1.562 -0.820 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 3.001 -1.719 5.347 1.00 0.00 H new ATOM 1085 N GLN B 16 1.438 3.114 -0.923 1.00 0.00 N ATOM 1086 CA GLN B 16 1.302 4.201 -1.897 1.00 0.00 C ATOM 1087 C GLN B 16 -0.161 4.578 -2.135 1.00 0.00 C ATOM 1088 O GLN B 16 -0.511 5.756 -2.146 1.00 0.00 O ATOM 1089 CB GLN B 16 1.958 3.776 -3.222 1.00 0.00 C ATOM 1090 CG GLN B 16 3.461 4.090 -3.301 1.00 0.00 C ATOM 1091 CD GLN B 16 3.769 5.565 -3.582 1.00 0.00 C ATOM 1092 OE1 GLN B 16 3.081 6.484 -3.160 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.820 5.855 -4.320 1.00 0.00 N ATOM 0 H GLN B 16 1.632 2.210 -1.354 1.00 0.00 H new ATOM 0 HA GLN B 16 1.802 5.082 -1.494 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.813 2.705 -3.361 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.448 4.276 -4.045 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.933 3.802 -2.362 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.910 3.479 -4.084 1.00 0.00 H new ATOM 0 HE21 GLN B 16 5.410 5.107 -4.684 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.044 6.828 -4.528 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.040 3.584 -2.259 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.468 3.786 -2.452 1.00 0.00 C ATOM 1104 C TYR B 17 -3.111 4.570 -1.310 1.00 0.00 C ATOM 1105 O TYR B 17 -3.944 5.444 -1.559 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.163 2.430 -2.592 1.00 0.00 C ATOM 1107 CG TYR B 17 -2.976 1.686 -3.907 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -2.971 2.380 -5.134 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.860 0.279 -3.910 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -2.845 1.678 -6.345 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.758 -0.426 -5.127 1.00 0.00 C ATOM 1112 CZ TYR B 17 -2.771 0.275 -6.351 1.00 0.00 C ATOM 1113 OH TYR B 17 -2.781 -0.388 -7.537 1.00 0.00 O ATOM 0 H TYR B 17 -0.771 2.601 -2.227 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.590 4.375 -3.361 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.812 1.785 -1.786 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.231 2.580 -2.438 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.064 3.456 -5.143 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.849 -0.261 -2.975 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -2.805 2.221 -7.278 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.670 -1.502 -5.122 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.897 -1.347 -7.374 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.704 4.311 -0.060 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.256 5.047 1.086 1.00 0.00 C ATOM 1125 C ARG B 18 -2.881 6.543 1.077 1.00 0.00 C ATOM 1126 O ARG B 18 -3.630 7.371 1.586 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.895 4.345 2.401 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.969 4.591 3.472 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.613 3.935 4.811 1.00 0.00 C ATOM 1130 NE ARG B 18 -4.702 4.123 5.791 1.00 0.00 N ATOM 1131 CZ ARG B 18 -4.623 4.023 7.107 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -3.511 3.722 7.718 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -5.677 4.226 7.845 1.00 0.00 N ATOM 0 H ARG B 18 -2.005 3.608 0.182 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.342 5.032 0.995 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -2.788 3.274 2.228 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -1.931 4.708 2.758 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.096 5.664 3.617 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -4.925 4.202 3.122 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.430 2.871 4.663 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.690 4.366 5.199 1.00 0.00 H new ATOM 0 HE ARG B 18 -5.619 4.356 5.409 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -2.662 3.554 7.178 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -3.490 3.654 8.736 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -6.568 4.463 7.408 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -5.612 4.148 8.860 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.757 6.895 0.446 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.308 8.279 0.207 1.00 0.00 C ATOM 1149 C GLU B 19 -2.034 8.949 -0.984 1.00 0.00 C ATOM 1150 O GLU B 19 -2.260 10.155 -0.999 1.00 0.00 O ATOM 1151 CB GLU B 19 0.202 8.230 -0.096 1.00 0.00 C ATOM 1152 CG GLU B 19 0.980 9.471 0.357 1.00 0.00 C ATOM 1153 CD GLU B 19 1.303 9.419 1.865 1.00 0.00 C ATOM 1154 OE1 GLU B 19 0.437 9.789 2.694 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.432 9.013 2.235 1.00 0.00 O ATOM 0 H GLU B 19 -1.108 6.203 0.072 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.535 8.871 1.093 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.629 7.352 0.388 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.341 8.101 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU B 19 1.907 9.548 -0.212 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.397 10.366 0.140 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.400 8.158 -1.992 1.00 0.00 N ATOM 1163 CA ALA B 20 -2.914 8.571 -3.295 1.00 0.00 C ATOM 1164 C ALA B 20 -4.354 9.099 -3.260 1.00 0.00 C ATOM 1165 O ALA B 20 -4.708 9.919 -4.111 1.00 0.00 O ATOM 1166 CB ALA B 20 -2.786 7.390 -4.266 1.00 0.00 C ATOM 0 H ALA B 20 -2.341 7.143 -1.913 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.314 9.416 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.166 7.681 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.738 7.103 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.363 6.545 -3.890 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.177 8.709 -2.273 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.510 9.304 -2.086 1.00 0.00 C ATOM 1174 C LEU B 21 -6.431 10.821 -1.882 1.00 0.00 C ATOM 1175 O LEU B 21 -7.337 11.536 -2.302 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.299 8.594 -0.975 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.814 8.901 -0.976 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.607 7.669 -0.540 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.194 10.028 -0.011 1.00 0.00 C ATOM 0 H LEU B 21 -4.943 7.985 -1.593 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.071 9.148 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.158 7.518 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.883 8.881 -0.009 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.052 9.200 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.672 7.901 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.411 6.847 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.304 7.379 0.466 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.270 10.198 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.913 9.748 1.004 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.670 10.941 -0.294 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.329 11.346 -1.338 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.176 12.804 -1.187 1.00 0.00 C ATOM 1193 C GLU B 22 -5.121 13.565 -2.526 1.00 0.00 C ATOM 1194 O GLU B 22 -5.539 14.722 -2.607 1.00 0.00 O ATOM 1195 CB GLU B 22 -3.931 13.113 -0.353 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.278 13.121 1.143 1.00 0.00 C ATOM 1197 CD GLU B 22 -3.040 13.318 2.038 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -2.332 14.347 1.898 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -2.789 12.466 2.927 1.00 0.00 O ATOM 0 H GLU B 22 -4.539 10.797 -0.998 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.071 13.157 -0.675 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.159 12.369 -0.550 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.522 14.081 -0.643 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -4.995 13.917 1.341 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.765 12.181 1.404 1.00 0.00 H new ATOM 1206 N TYR B 23 -4.662 12.893 -3.581 1.00 0.00 N ATOM 1207 CA TYR B 23 -4.500 13.410 -4.945 1.00 0.00 C ATOM 1208 C TYR B 23 -5.601 12.936 -5.918 1.00 0.00 C ATOM 1209 O TYR B 23 -5.563 13.281 -7.102 1.00 0.00 O ATOM 1210 CB TYR B 23 -3.099 13.014 -5.437 1.00 0.00 C ATOM 1211 CG TYR B 23 -1.979 13.519 -4.543 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -1.514 14.841 -4.684 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -1.443 12.690 -3.538 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -0.517 15.336 -3.820 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -0.450 13.181 -2.670 1.00 0.00 C ATOM 1216 CZ TYR B 23 0.015 14.507 -2.808 1.00 0.00 C ATOM 1217 OH TYR B 23 0.972 14.980 -1.960 1.00 0.00 O ATOM 0 H TYR B 23 -4.376 11.917 -3.505 1.00 0.00 H new ATOM 0 HA TYR B 23 -4.604 14.495 -4.920 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.039 11.928 -5.503 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -2.953 13.403 -6.445 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -1.922 15.477 -5.456 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -1.795 11.674 -3.433 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.160 16.349 -3.932 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -0.044 12.544 -1.899 1.00 0.00 H new ATOM 0 HH TYR B 23 1.223 14.277 -1.326 1.00 0.00 H new ATOM 1227 N THR B 24 -6.592 12.172 -5.437 1.00 0.00 N ATOM 1228 CA THR B 24 -7.638 11.537 -6.273 1.00 0.00 C ATOM 1229 C THR B 24 -9.058 11.567 -5.692 1.00 0.00 C ATOM 1230 O THR B 24 -10.027 11.471 -6.448 1.00 0.00 O ATOM 1231 CB THR B 24 -7.307 10.064 -6.536 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.157 9.369 -5.330 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.047 9.808 -7.354 1.00 0.00 C ATOM 0 H THR B 24 -6.697 11.971 -4.443 1.00 0.00 H new ATOM 0 HA THR B 24 -7.634 12.141 -7.180 1.00 0.00 H new ATOM 0 HB THR B 24 -8.156 9.713 -7.123 1.00 0.00 H new ATOM 0 HG1 THR B 24 -6.309 9.622 -4.910 1.00 0.00 H new ATOM 0 HG21 THR B 24 -5.907 8.734 -7.480 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.146 10.279 -8.332 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.185 10.227 -6.835 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.199 11.704 -4.368 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.444 11.742 -3.581 1.00 0.00 C ATOM 1243 C HIS B 25 -11.588 10.823 -4.088 1.00 0.00 C ATOM 1244 O HIS B 25 -12.710 11.281 -4.310 1.00 0.00 O ATOM 1245 CB HIS B 25 -10.847 13.206 -3.319 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.098 13.782 -2.141 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.473 13.661 -0.813 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -8.906 14.451 -2.177 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.527 14.252 -0.054 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.567 14.745 -0.866 1.00 0.00 N ATOM 0 H HIS B 25 -8.380 11.799 -3.768 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.230 11.279 -2.618 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -10.646 13.805 -4.208 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -11.919 13.262 -3.133 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.337 14.703 -3.060 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.536 14.320 1.024 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.733 15.249 -0.565 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.309 9.529 -4.300 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.239 8.564 -4.925 1.00 0.00 C ATOM 1261 C ASN B 26 -12.486 7.289 -4.079 1.00 0.00 C ATOM 1262 O ASN B 26 -11.571 6.822 -3.396 1.00 0.00 O ATOM 1263 CB ASN B 26 -11.693 8.215 -6.327 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.492 8.877 -7.437 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.331 8.261 -8.075 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -12.270 10.144 -7.698 1.00 0.00 N ATOM 0 H ASN B 26 -10.416 9.111 -4.039 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.219 9.036 -4.997 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.651 8.527 -6.397 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -11.712 7.134 -6.463 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -12.798 10.613 -8.433 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -11.569 10.659 -7.165 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.685 6.665 -4.169 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.025 5.433 -3.443 1.00 0.00 C ATOM 1275 C PRO B 27 -13.360 4.172 -4.024 1.00 0.00 C ATOM 1276 O PRO B 27 -13.378 3.112 -3.406 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.552 5.322 -3.541 1.00 0.00 C ATOM 1278 CG PRO B 27 -15.859 5.966 -4.890 1.00 0.00 C ATOM 1279 CD PRO B 27 -14.835 7.100 -4.959 1.00 0.00 C ATOM 0 HA PRO B 27 -13.661 5.491 -2.417 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.884 4.284 -3.505 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.048 5.844 -2.723 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.739 5.261 -5.712 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -16.882 6.340 -4.937 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.545 7.299 -5.991 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.252 8.025 -4.561 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.765 4.267 -5.215 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.148 3.135 -5.932 1.00 0.00 C ATOM 1289 C VAL B 28 -10.915 2.592 -5.215 1.00 0.00 C ATOM 1290 O VAL B 28 -10.686 1.383 -5.207 1.00 0.00 O ATOM 1291 CB VAL B 28 -11.812 3.524 -7.382 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.678 2.270 -8.232 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -12.870 4.402 -8.072 1.00 0.00 C ATOM 0 H VAL B 28 -12.694 5.148 -5.723 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.884 2.331 -5.948 1.00 0.00 H new ATOM 0 HB VAL B 28 -10.887 4.097 -7.309 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.440 2.550 -9.258 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.881 1.643 -7.833 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.617 1.717 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.549 4.627 -9.089 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -13.821 3.871 -8.100 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -12.990 5.332 -7.516 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.161 3.445 -4.519 1.00 0.00 N ATOM 1304 CA LEU B 29 -9.050 3.012 -3.680 1.00 0.00 C ATOM 1305 C LEU B 29 -9.525 2.101 -2.535 1.00 0.00 C ATOM 1306 O LEU B 29 -8.846 1.126 -2.219 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.287 4.243 -3.172 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.635 5.075 -4.294 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.502 6.269 -4.705 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.281 5.616 -3.842 1.00 0.00 C ATOM 0 H LEU B 29 -10.306 4.455 -4.523 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.366 2.408 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.973 4.879 -2.612 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.513 3.918 -2.476 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.520 4.405 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -8.002 6.826 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.467 5.911 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.655 6.921 -3.845 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.836 6.201 -4.647 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.417 6.250 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.623 4.785 -3.590 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.738 2.325 -2.010 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.408 1.444 -1.043 1.00 0.00 C ATOM 1324 C ALA B 30 -11.892 0.096 -1.638 1.00 0.00 C ATOM 1325 O ALA B 30 -12.547 -0.682 -0.943 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.545 2.218 -0.358 1.00 0.00 C ATOM 0 H ALA B 30 -11.294 3.145 -2.252 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.665 1.152 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -13.046 1.569 0.361 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -12.135 3.085 0.160 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.263 2.550 -1.108 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.536 -0.212 -2.895 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.562 -1.554 -3.489 1.00 0.00 C ATOM 1334 C LYS B 31 -10.166 -2.010 -3.917 1.00 0.00 C ATOM 1335 O LYS B 31 -9.773 -3.125 -3.592 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.556 -1.641 -4.662 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.958 -1.101 -4.326 1.00 0.00 C ATOM 1338 CD LYS B 31 -15.038 -1.608 -5.301 1.00 0.00 C ATOM 1339 CE LYS B 31 -15.924 -2.716 -4.705 1.00 0.00 C ATOM 1340 NZ LYS B 31 -15.171 -3.955 -4.365 1.00 0.00 N ATOM 0 H LYS B 31 -11.209 0.498 -3.551 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.909 -2.236 -2.713 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.155 -1.084 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.643 -2.681 -4.977 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.223 -1.396 -3.311 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -13.938 -0.011 -4.346 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -15.668 -0.771 -5.602 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.556 -1.984 -6.203 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.411 -2.338 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.713 -2.962 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -15.824 -4.661 -3.969 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -14.727 -4.338 -5.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -14.435 -3.733 -3.665 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.382 -1.137 -4.556 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.016 -1.458 -5.026 1.00 0.00 C ATOM 1356 C ILE B 32 -7.101 -1.823 -3.854 1.00 0.00 C ATOM 1357 O ILE B 32 -6.678 -2.975 -3.747 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.417 -0.310 -5.874 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.268 0.072 -7.107 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.018 -0.717 -6.371 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -8.013 1.524 -7.533 1.00 0.00 C ATOM 0 H ILE B 32 -9.671 -0.182 -4.767 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.091 -2.331 -5.675 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.384 0.560 -5.218 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.035 -0.598 -7.934 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.325 -0.061 -6.877 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.595 0.091 -6.968 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.371 -0.913 -5.516 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.096 -1.617 -6.981 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.626 1.761 -8.402 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.271 2.194 -6.713 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.960 1.649 -7.787 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.825 -0.879 -2.947 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.965 -1.144 -1.789 1.00 0.00 C ATOM 1375 C LEU B 33 -6.637 -2.080 -0.787 1.00 0.00 C ATOM 1376 O LEU B 33 -5.948 -2.826 -0.092 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.416 0.162 -1.187 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.239 0.868 -0.095 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.997 0.319 1.317 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.881 2.354 -0.036 1.00 0.00 C ATOM 0 H LEU B 33 -7.185 0.074 -2.993 1.00 0.00 H new ATOM 0 HA LEU B 33 -5.085 -1.691 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.430 -0.052 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.272 0.869 -2.004 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.278 0.694 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.612 0.867 2.031 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.261 -0.738 1.347 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.945 0.438 1.578 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.471 2.840 0.741 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.821 2.464 0.192 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.096 2.818 -0.998 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.975 -2.089 -0.758 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.716 -3.061 0.044 1.00 0.00 C ATOM 1394 C GLU B 34 -8.404 -4.504 -0.383 1.00 0.00 C ATOM 1395 O GLU B 34 -8.235 -5.362 0.482 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.224 -2.769 0.031 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.981 -3.684 1.007 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.467 -3.295 1.150 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.800 -2.489 2.056 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -13.316 -3.845 0.408 1.00 0.00 O ATOM 0 H GLU B 34 -8.561 -1.437 -1.279 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.380 -2.957 1.076 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.397 -1.727 0.299 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.614 -2.908 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.910 -4.715 0.662 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.502 -3.642 1.985 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.255 -4.785 -1.684 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.908 -6.124 -2.156 1.00 0.00 C ATOM 1409 C ASP B 35 -6.439 -6.483 -1.931 1.00 0.00 C ATOM 1410 O ASP B 35 -6.154 -7.579 -1.443 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.199 -6.258 -3.647 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.664 -6.127 -4.088 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.590 -6.444 -3.300 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.861 -5.759 -5.272 1.00 0.00 O ATOM 0 H ASP B 35 -8.371 -4.097 -2.428 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.522 -6.808 -1.571 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.618 -5.501 -4.174 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.832 -7.230 -3.977 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.496 -5.573 -2.215 1.00 0.00 N ATOM 1420 CA GLU B 36 -4.075 -5.816 -1.935 1.00 0.00 C ATOM 1421 C GLU B 36 -3.805 -6.168 -0.460 1.00 0.00 C ATOM 1422 O GLU B 36 -2.834 -6.863 -0.157 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.236 -4.585 -2.283 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.354 -4.027 -3.699 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.879 -4.937 -4.827 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.283 -6.027 -4.632 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.086 -4.590 -6.010 1.00 0.00 O ATOM 0 H GLU B 36 -5.692 -4.665 -2.637 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.795 -6.668 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.500 -3.790 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.189 -4.831 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.399 -3.774 -3.881 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.787 -3.097 -3.748 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.679 -5.733 0.455 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.569 -6.032 1.889 1.00 0.00 C ATOM 1436 C GLU B 37 -4.761 -7.532 2.178 1.00 0.00 C ATOM 1437 O GLU B 37 -4.170 -8.067 3.120 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.590 -5.189 2.669 1.00 0.00 C ATOM 1439 CG GLU B 37 -5.236 -5.072 4.156 1.00 0.00 C ATOM 1440 CD GLU B 37 -6.236 -4.162 4.898 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -7.284 -4.664 5.370 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -5.969 -2.943 5.035 1.00 0.00 O ATOM 0 H GLU B 37 -5.489 -5.159 0.220 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.562 -5.773 2.216 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.644 -4.192 2.232 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.579 -5.636 2.568 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -5.235 -6.062 4.611 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -4.228 -4.671 4.262 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.538 -8.224 1.330 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.645 -9.689 1.321 1.00 0.00 C ATOM 1451 C LYS B 38 -4.556 -10.339 0.487 1.00 0.00 C ATOM 1452 O LYS B 38 -3.989 -11.322 0.944 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.996 -10.182 0.779 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.215 -9.734 1.590 1.00 0.00 C ATOM 1455 CD LYS B 38 -8.862 -8.465 1.025 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.905 -8.768 -0.060 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.234 -9.079 0.529 1.00 0.00 N ATOM 0 H LYS B 38 -6.117 -7.774 0.622 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.541 -9.979 2.367 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.110 -9.831 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.981 -11.271 0.743 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.952 -10.537 1.606 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.915 -9.556 2.623 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.336 -7.912 1.835 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -8.087 -7.821 0.609 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.994 -7.912 -0.729 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.568 -9.610 -0.664 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.913 -9.278 -0.233 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.153 -9.911 1.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.566 -8.265 1.085 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.260 -9.824 -0.712 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.460 -10.476 -1.744 1.00 0.00 C ATOM 1473 C HIS B 39 -2.149 -11.096 -1.243 1.00 0.00 C ATOM 1474 O HIS B 39 -1.860 -12.246 -1.576 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.184 -9.429 -2.817 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.294 -9.102 -3.775 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.102 -8.352 -4.937 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.602 -9.480 -3.695 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.306 -8.290 -5.528 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.217 -8.976 -4.815 1.00 0.00 N ATOM 0 H HIS B 39 -4.588 -8.901 -0.997 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.027 -11.324 -2.127 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.889 -8.506 -2.317 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.326 -9.764 -3.400 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.230 -7.938 -5.267 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.062 -10.060 -2.908 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.514 -7.763 -6.447 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.198 -9.101 -5.064 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.387 -10.373 -0.414 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.123 -10.877 0.158 1.00 0.00 C ATOM 1490 C ILE B 40 -0.347 -12.123 1.025 1.00 0.00 C ATOM 1491 O ILE B 40 0.378 -13.111 0.880 1.00 0.00 O ATOM 1492 CB ILE B 40 0.612 -9.768 0.956 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.916 -8.558 0.041 1.00 0.00 C ATOM 1494 CG2 ILE B 40 1.917 -10.308 1.575 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.736 -7.440 0.701 1.00 0.00 C ATOM 0 H ILE B 40 -1.624 -9.426 -0.119 1.00 0.00 H new ATOM 0 HA ILE B 40 0.514 -11.171 -0.676 1.00 0.00 H new ATOM 0 HB ILE B 40 -0.042 -9.443 1.765 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.453 -8.912 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -0.028 -8.139 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.414 -9.512 2.129 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.686 -11.131 2.251 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.576 -10.664 0.783 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.899 -6.636 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.194 -7.052 1.564 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.698 -7.837 1.025 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.344 -12.126 1.902 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.657 -13.295 2.735 1.00 0.00 C ATOM 1509 C GLU B 41 -2.428 -14.375 1.960 1.00 0.00 C ATOM 1510 O GLU B 41 -2.237 -15.560 2.219 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.388 -12.873 4.018 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.483 -11.999 4.906 1.00 0.00 C ATOM 1513 CD GLU B 41 -2.079 -11.775 6.310 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -3.225 -11.273 6.425 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -1.396 -12.082 7.318 1.00 0.00 O ATOM 0 H GLU B 41 -1.958 -11.327 2.060 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.711 -13.750 3.027 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.293 -12.322 3.761 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.700 -13.759 4.571 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.505 -12.471 5.000 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -1.326 -11.035 4.423 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.223 -13.999 0.958 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.857 -14.905 -0.003 1.00 0.00 C ATOM 1524 C TRP B 42 -2.858 -15.769 -0.779 1.00 0.00 C ATOM 1525 O TRP B 42 -3.101 -16.969 -0.908 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.751 -14.078 -0.943 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.146 -13.817 -0.478 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.667 -14.145 0.727 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.223 -13.162 -1.215 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.999 -13.779 0.769 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.393 -13.155 -0.399 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.316 -12.548 -2.483 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.596 -12.567 -0.820 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.511 -11.942 -2.911 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.651 -11.953 -2.085 1.00 0.00 C ATOM 0 H TRP B 42 -3.452 -13.020 0.786 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.464 -15.619 0.554 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.265 -13.118 -1.119 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.802 -14.591 -1.904 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -6.125 -14.620 1.532 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.615 -13.949 1.564 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.455 -12.544 -3.135 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.467 -12.586 -0.182 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.554 -11.465 -3.879 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.567 -11.491 -2.422 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.727 -15.224 -1.249 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.703 -16.047 -1.914 1.00 0.00 C ATOM 1548 C LEU B 43 0.147 -16.881 -0.927 1.00 0.00 C ATOM 1549 O LEU B 43 0.653 -17.940 -1.293 1.00 0.00 O ATOM 1550 CB LEU B 43 0.110 -15.208 -2.911 1.00 0.00 C ATOM 1551 CG LEU B 43 1.227 -14.379 -2.271 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.591 -15.049 -2.421 1.00 0.00 C ATOM 1553 CD2 LEU B 43 1.296 -12.996 -2.907 1.00 0.00 C ATOM 0 H LEU B 43 -1.498 -14.232 -1.184 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.217 -16.805 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.548 -15.873 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.567 -14.537 -3.441 1.00 0.00 H new ATOM 0 HG LEU B 43 0.990 -14.297 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.355 -14.428 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.572 -16.026 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.821 -15.172 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU B 43 2.095 -12.420 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.496 -13.096 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.346 -12.481 -2.763 1.00 0.00 H new ATOM 1565 N GLU B 44 0.285 -16.432 0.327 1.00 0.00 N ATOM 1566 CA GLU B 44 1.149 -17.063 1.340 1.00 0.00 C ATOM 1567 C GLU B 44 0.438 -18.179 2.130 1.00 0.00 C ATOM 1568 O GLU B 44 1.045 -19.216 2.401 1.00 0.00 O ATOM 1569 CB GLU B 44 1.689 -15.968 2.280 1.00 0.00 C ATOM 1570 CG GLU B 44 3.034 -16.289 2.952 1.00 0.00 C ATOM 1571 CD GLU B 44 2.970 -17.348 4.072 1.00 0.00 C ATOM 1572 OE1 GLU B 44 2.105 -17.240 4.975 1.00 0.00 O ATOM 1573 OE2 GLU B 44 3.840 -18.255 4.097 1.00 0.00 O ATOM 0 H GLU B 44 -0.206 -15.608 0.674 1.00 0.00 H new ATOM 0 HA GLU B 44 1.975 -17.554 0.825 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.796 -15.044 1.712 1.00 0.00 H new ATOM 0 HB3 GLU B 44 0.948 -15.780 3.057 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.731 -16.633 2.188 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.444 -15.368 3.367 1.00 0.00 H new ATOM 1580 N THR B 45 -0.859 -18.027 2.443 1.00 0.00 N ATOM 1581 CA THR B 45 -1.654 -19.003 3.225 1.00 0.00 C ATOM 1582 C THR B 45 -1.649 -20.406 2.597 1.00 0.00 C ATOM 1583 O THR B 45 -1.677 -21.414 3.305 1.00 0.00 O ATOM 1584 CB THR B 45 -3.099 -18.493 3.411 1.00 0.00 C ATOM 1585 OG1 THR B 45 -3.089 -17.296 4.160 1.00 0.00 O ATOM 1586 CG2 THR B 45 -4.015 -19.447 4.178 1.00 0.00 C ATOM 0 H THR B 45 -1.399 -17.210 2.157 1.00 0.00 H new ATOM 0 HA THR B 45 -1.179 -19.094 4.202 1.00 0.00 H new ATOM 0 HB THR B 45 -3.482 -18.374 2.397 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.795 -16.556 3.589 1.00 0.00 H new ATOM 0 HG21 THR B 45 -5.009 -19.008 4.261 1.00 0.00 H new ATOM 0 HG22 THR B 45 -4.080 -20.396 3.645 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.609 -19.618 5.175 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.536 -20.476 1.268 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.484 -21.709 0.463 1.00 0.00 C ATOM 1596 C ILE B 46 -0.314 -22.628 0.853 1.00 0.00 C ATOM 1597 O ILE B 46 -0.413 -23.853 0.758 1.00 0.00 O ATOM 1598 CB ILE B 46 -1.376 -21.311 -1.030 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.466 -20.308 -1.474 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.384 -22.525 -1.976 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -3.864 -20.530 -0.866 1.00 0.00 C ATOM 0 H ILE B 46 -1.475 -19.636 0.692 1.00 0.00 H new ATOM 0 HA ILE B 46 -2.395 -22.277 0.651 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.407 -20.818 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.134 -19.302 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -2.551 -20.349 -2.560 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -1.306 -22.183 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.539 -23.173 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.313 -23.080 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -4.550 -19.772 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.228 -21.519 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -3.804 -20.456 0.220 1.00 0.00 H new ATOM 1613 N LEU B 47 0.798 -22.034 1.282 1.00 0.00 N ATOM 1614 CA LEU B 47 2.099 -22.693 1.412 1.00 0.00 C ATOM 1615 C LEU B 47 2.257 -23.490 2.722 1.00 0.00 C ATOM 1616 O LEU B 47 3.132 -24.355 2.813 1.00 0.00 O ATOM 1617 CB LEU B 47 3.190 -21.613 1.300 1.00 0.00 C ATOM 1618 CG LEU B 47 3.075 -20.686 0.069 1.00 0.00 C ATOM 1619 CD1 LEU B 47 4.113 -19.576 0.184 1.00 0.00 C ATOM 1620 CD2 LEU B 47 3.279 -21.433 -1.252 1.00 0.00 C ATOM 0 H LEU B 47 0.821 -21.052 1.557 1.00 0.00 H new ATOM 0 HA LEU B 47 2.189 -23.429 0.613 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.165 -20.999 2.200 1.00 0.00 H new ATOM 0 HB3 LEU B 47 4.163 -22.104 1.276 1.00 0.00 H new ATOM 0 HG LEU B 47 2.065 -20.277 0.058 1.00 0.00 H new ATOM 0 HD11 LEU B 47 4.039 -18.917 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU B 47 3.933 -19.003 1.093 1.00 0.00 H new ATOM 0 HD13 LEU B 47 5.111 -20.013 0.222 1.00 0.00 H new ATOM 0 HD21 LEU B 47 3.188 -20.734 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU B 47 4.271 -21.885 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU B 47 2.524 -22.213 -1.349 1.00 0.00 H new ATOM 1632 N GLY B 48 1.422 -23.212 3.731 1.00 0.00 N ATOM 1633 CA GLY B 48 1.474 -23.867 5.046 1.00 0.00 C ATOM 1634 C GLY B 48 0.592 -23.242 6.139 1.00 0.00 C ATOM 1635 O GLY B 48 0.840 -23.449 7.327 1.00 0.00 O ATOM 0 H GLY B 48 0.680 -22.516 3.657 1.00 0.00 H new ATOM 0 HA2 GLY B 48 1.183 -24.910 4.923 1.00 0.00 H new ATOM 0 HA3 GLY B 48 2.507 -23.863 5.393 1.00 0.00 H new HETATM 1639 N NH2 B 49 -0.421 -22.453 5.796 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.290 -4.586 -7.726 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -1.523 -7.312 -5.506 1.00 0.00 ZN