USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 TYR OH : rot 180: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) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.127 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -92:sc= 0.431 USER MOD Single : A 25 HIS : no HD1:sc= 0.939 K(o=0.94,f=-3.3!) USER MOD Single : A 26 ASN : amide:sc= 0.994 K(o=0.99,f=-1.4) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 1.59 (180deg=0.0135) USER MOD Single : A 39 HIS : +bothHN:sc= 0.296 K(o=0.3,f=-6.3!) USER MOD Single : A 45 THR OG1 : rot 77:sc= 0.16 USER MOD Single : B 1 ASP N :NH3+ -174:sc= 0 (180deg=-0.0514) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 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=-0.19) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.0448 K(o=-0.045,f=-2.5) USER MOD Single : B 17 TYR OH : rot -154:sc= 0.0707 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot 123:sc= -0.164 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : B 26 ASN : amide:sc= -0.203 X(o=-0.2,f=0.15) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.14) USER MOD Single : B 39 HIS : +bothHN:sc= -0.119 K(o=-0.12,f=-4.9!) USER MOD Single : B 45 THR OG1 : rot 78:sc= 0.311 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 2 2.942 9.930 -10.367 1.00 0.00 N ATOM 20 CA TYR A 2 2.847 8.746 -9.495 1.00 0.00 C ATOM 21 C TYR A 2 1.933 7.659 -10.068 1.00 0.00 C ATOM 22 O TYR A 2 2.213 6.474 -9.948 1.00 0.00 O ATOM 23 CB TYR A 2 2.286 9.118 -8.113 1.00 0.00 C ATOM 24 CG TYR A 2 2.696 10.461 -7.550 1.00 0.00 C ATOM 25 CD1 TYR A 2 4.042 10.716 -7.233 1.00 0.00 C ATOM 26 CD2 TYR A 2 1.718 11.451 -7.335 1.00 0.00 C ATOM 27 CE1 TYR A 2 4.410 11.963 -6.696 1.00 0.00 C ATOM 28 CE2 TYR A 2 2.081 12.697 -6.794 1.00 0.00 C ATOM 29 CZ TYR A 2 3.432 12.959 -6.472 1.00 0.00 C ATOM 30 OH TYR A 2 3.797 14.161 -5.945 1.00 0.00 O ATOM 0 HA TYR A 2 3.865 8.365 -9.419 1.00 0.00 H new ATOM 0 HB2 TYR A 2 1.198 9.091 -8.170 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.588 8.346 -7.405 1.00 0.00 H new ATOM 0 HD1 TYR A 2 4.791 9.957 -7.401 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.687 11.253 -7.586 1.00 0.00 H new ATOM 0 HE1 TYR A 2 5.444 12.160 -6.454 1.00 0.00 H new ATOM 0 HE2 TYR A 2 1.328 13.453 -6.625 1.00 0.00 H new ATOM 0 HH TYR A 2 3.006 14.733 -5.856 1.00 0.00 H new ATOM 40 N LEU A 3 0.832 8.078 -10.694 1.00 0.00 N ATOM 41 CA LEU A 3 -0.222 7.214 -11.227 1.00 0.00 C ATOM 42 C LEU A 3 0.329 6.289 -12.320 1.00 0.00 C ATOM 43 O LEU A 3 0.109 5.081 -12.281 1.00 0.00 O ATOM 44 CB LEU A 3 -1.363 8.104 -11.758 1.00 0.00 C ATOM 45 CG LEU A 3 -2.013 8.994 -10.679 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.907 10.045 -11.335 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.865 8.185 -9.700 1.00 0.00 C ATOM 0 H LEU A 3 0.643 9.068 -10.850 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.609 6.570 -10.437 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.975 8.739 -12.554 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.130 7.469 -12.202 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.200 9.466 -10.128 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.361 10.668 -10.565 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.309 10.668 -12.000 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.690 9.550 -11.909 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.302 8.854 -8.959 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.661 7.677 -10.244 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.240 7.446 -9.198 1.00 0.00 H new ATOM 59 N ARG A 4 1.129 6.837 -13.245 1.00 0.00 N ATOM 60 CA ARG A 4 1.863 6.060 -14.255 1.00 0.00 C ATOM 61 C ARG A 4 2.842 5.085 -13.602 1.00 0.00 C ATOM 62 O ARG A 4 2.865 3.917 -13.979 1.00 0.00 O ATOM 63 CB ARG A 4 2.567 7.037 -15.211 1.00 0.00 C ATOM 64 CG ARG A 4 3.311 6.335 -16.361 1.00 0.00 C ATOM 65 CD ARG A 4 3.926 7.357 -17.328 1.00 0.00 C ATOM 66 NE ARG A 4 4.922 8.220 -16.658 1.00 0.00 N ATOM 67 CZ ARG A 4 6.224 8.028 -16.557 1.00 0.00 C ATOM 68 NH1 ARG A 4 6.839 7.025 -17.121 1.00 0.00 N ATOM 69 NH2 ARG A 4 6.929 8.862 -15.859 1.00 0.00 N ATOM 0 H ARG A 4 1.287 7.842 -13.314 1.00 0.00 H new ATOM 0 HA ARG A 4 1.166 5.448 -14.828 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.828 7.721 -15.629 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.276 7.641 -14.645 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.096 5.697 -15.954 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.622 5.687 -16.902 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.400 6.832 -18.158 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.136 7.976 -17.752 1.00 0.00 H new ATOM 0 HE ARG A 4 4.559 9.067 -16.221 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.311 6.346 -17.669 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.848 6.920 -17.014 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.476 9.652 -15.398 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.936 8.729 -15.770 1.00 0.00 H new ATOM 83 N GLU A 5 3.604 5.528 -12.600 1.00 0.00 N ATOM 84 CA GLU A 5 4.543 4.664 -11.862 1.00 0.00 C ATOM 85 C GLU A 5 3.832 3.495 -11.139 1.00 0.00 C ATOM 86 O GLU A 5 4.330 2.367 -11.124 1.00 0.00 O ATOM 87 CB GLU A 5 5.371 5.533 -10.901 1.00 0.00 C ATOM 88 CG GLU A 5 6.470 4.753 -10.173 1.00 0.00 C ATOM 89 CD GLU A 5 7.381 5.702 -9.367 1.00 0.00 C ATOM 90 OE1 GLU A 5 6.990 6.129 -8.253 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.501 6.021 -9.839 1.00 0.00 O ATOM 0 H GLU A 5 3.592 6.494 -12.273 1.00 0.00 H new ATOM 0 HA GLU A 5 5.215 4.187 -12.575 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.825 6.350 -11.461 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.706 5.983 -10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.019 4.021 -9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.067 4.198 -10.897 1.00 0.00 H new ATOM 98 N LEU A 6 2.634 3.751 -10.605 1.00 0.00 N ATOM 99 CA LEU A 6 1.715 2.785 -9.996 1.00 0.00 C ATOM 100 C LEU A 6 1.230 1.725 -11.001 1.00 0.00 C ATOM 101 O LEU A 6 1.481 0.529 -10.820 1.00 0.00 O ATOM 102 CB LEU A 6 0.543 3.592 -9.380 1.00 0.00 C ATOM 103 CG LEU A 6 0.616 3.708 -7.854 1.00 0.00 C ATOM 104 CD1 LEU A 6 1.916 4.326 -7.324 1.00 0.00 C ATOM 105 CD2 LEU A 6 -0.534 4.576 -7.334 1.00 0.00 C ATOM 0 H LEU A 6 2.256 4.698 -10.585 1.00 0.00 H new ATOM 0 HA LEU A 6 2.228 2.217 -9.220 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.534 4.593 -9.812 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.399 3.118 -9.656 1.00 0.00 H new ATOM 0 HG LEU A 6 0.560 2.680 -7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.881 4.369 -6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.763 3.715 -7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.029 5.334 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.471 4.651 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.464 5.572 -7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.486 4.124 -7.612 1.00 0.00 H new ATOM 117 N LEU A 7 0.584 2.163 -12.086 1.00 0.00 N ATOM 118 CA LEU A 7 0.124 1.292 -13.180 1.00 0.00 C ATOM 119 C LEU A 7 1.254 0.441 -13.793 1.00 0.00 C ATOM 120 O LEU A 7 1.051 -0.747 -14.052 1.00 0.00 O ATOM 121 CB LEU A 7 -0.576 2.099 -14.295 1.00 0.00 C ATOM 122 CG LEU A 7 -2.082 2.332 -14.068 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.363 3.573 -13.227 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.804 2.518 -15.400 1.00 0.00 C ATOM 0 H LEU A 7 0.361 3.147 -12.234 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.594 0.610 -12.724 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.082 3.066 -14.390 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.441 1.577 -15.243 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.443 1.449 -13.540 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.439 3.689 -13.098 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.890 3.466 -12.251 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.961 4.452 -13.730 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.866 2.681 -15.218 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.388 3.380 -15.922 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.674 1.626 -16.012 1.00 0.00 H new ATOM 136 N LYS A 8 2.448 1.025 -13.982 1.00 0.00 N ATOM 137 CA LYS A 8 3.662 0.355 -14.494 1.00 0.00 C ATOM 138 C LYS A 8 4.186 -0.785 -13.606 1.00 0.00 C ATOM 139 O LYS A 8 5.087 -1.505 -14.039 1.00 0.00 O ATOM 140 CB LYS A 8 4.766 1.404 -14.746 1.00 0.00 C ATOM 141 CG LYS A 8 4.533 2.229 -16.026 1.00 0.00 C ATOM 142 CD LYS A 8 4.966 1.517 -17.319 1.00 0.00 C ATOM 143 CE LYS A 8 6.497 1.458 -17.444 1.00 0.00 C ATOM 144 NZ LYS A 8 6.920 0.811 -18.715 1.00 0.00 N ATOM 0 H LYS A 8 2.604 2.012 -13.776 1.00 0.00 H new ATOM 0 HA LYS A 8 3.374 -0.126 -15.429 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.821 2.078 -13.891 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.730 0.899 -14.816 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.474 2.477 -16.098 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.076 3.170 -15.943 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.560 0.506 -17.332 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.549 2.039 -18.180 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.905 2.467 -17.396 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.910 0.906 -16.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.959 0.789 -18.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.551 -0.161 -18.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.546 1.352 -19.521 1.00 0.00 H new ATOM 158 N GLY A 9 3.632 -0.980 -12.405 1.00 0.00 N ATOM 159 CA GLY A 9 3.996 -2.055 -11.493 1.00 0.00 C ATOM 160 C GLY A 9 2.962 -3.140 -11.267 1.00 0.00 C ATOM 161 O GLY A 9 3.326 -4.313 -11.235 1.00 0.00 O ATOM 0 H GLY A 9 2.899 -0.375 -12.036 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.905 -2.525 -11.868 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.241 -1.613 -10.527 1.00 0.00 H new ATOM 165 N GLU A 10 1.677 -2.811 -11.166 1.00 0.00 N ATOM 166 CA GLU A 10 0.665 -3.876 -11.018 1.00 0.00 C ATOM 167 C GLU A 10 0.607 -4.836 -12.206 1.00 0.00 C ATOM 168 O GLU A 10 0.321 -6.018 -11.993 1.00 0.00 O ATOM 169 CB GLU A 10 -0.732 -3.328 -10.676 1.00 0.00 C ATOM 170 CG GLU A 10 -0.818 -2.962 -9.186 1.00 0.00 C ATOM 171 CD GLU A 10 -1.997 -3.605 -8.464 1.00 0.00 C ATOM 172 OE1 GLU A 10 -3.215 -3.353 -8.562 1.00 0.00 O ATOM 173 OE2 GLU A 10 -1.888 -4.510 -7.625 1.00 0.00 O ATOM 0 H GLU A 10 1.312 -1.859 -11.182 1.00 0.00 H new ATOM 0 HA GLU A 10 1.004 -4.462 -10.164 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.943 -2.449 -11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.490 -4.073 -10.918 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.106 -3.263 -8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.892 -1.879 -9.091 1.00 0.00 H new ATOM 180 N LEU A 11 0.962 -4.416 -13.429 1.00 0.00 N ATOM 181 CA LEU A 11 0.944 -5.357 -14.545 1.00 0.00 C ATOM 182 C LEU A 11 2.071 -6.403 -14.489 1.00 0.00 C ATOM 183 O LEU A 11 1.979 -7.468 -15.102 1.00 0.00 O ATOM 184 CB LEU A 11 0.878 -4.557 -15.846 1.00 0.00 C ATOM 185 CG LEU A 11 2.214 -4.275 -16.529 1.00 0.00 C ATOM 186 CD1 LEU A 11 1.942 -3.802 -17.952 1.00 0.00 C ATOM 187 CD2 LEU A 11 3.003 -3.222 -15.762 1.00 0.00 C ATOM 0 H LEU A 11 1.254 -3.467 -13.661 1.00 0.00 H new ATOM 0 HA LEU A 11 0.051 -5.978 -14.481 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.241 -5.095 -16.548 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.391 -3.604 -15.639 1.00 0.00 H new ATOM 0 HG LEU A 11 2.811 -5.186 -16.548 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.887 -3.596 -18.454 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.403 -4.578 -18.497 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.340 -2.894 -17.925 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.951 -3.038 -16.268 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.429 -2.297 -15.719 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.195 -3.577 -14.749 1.00 0.00 H new ATOM 199 N GLN A 12 3.112 -6.105 -13.712 1.00 0.00 N ATOM 200 CA GLN A 12 4.276 -6.937 -13.469 1.00 0.00 C ATOM 201 C GLN A 12 3.926 -8.174 -12.613 1.00 0.00 C ATOM 202 O GLN A 12 4.668 -9.157 -12.616 1.00 0.00 O ATOM 203 CB GLN A 12 5.356 -6.044 -12.823 1.00 0.00 C ATOM 204 CG GLN A 12 6.767 -6.626 -12.975 1.00 0.00 C ATOM 205 CD GLN A 12 7.844 -5.734 -12.357 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.791 -5.347 -11.195 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.873 -5.375 -13.099 1.00 0.00 N ATOM 0 H GLN A 12 3.162 -5.220 -13.207 1.00 0.00 H new ATOM 0 HA GLN A 12 4.658 -7.345 -14.405 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.324 -5.054 -13.278 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.131 -5.916 -11.764 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.802 -7.609 -12.506 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.984 -6.770 -14.033 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.936 -5.686 -14.068 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.606 -4.786 -12.704 1.00 0.00 H new ATOM 216 N GLY A 13 2.773 -8.154 -11.926 1.00 0.00 N ATOM 217 CA GLY A 13 2.303 -9.235 -11.055 1.00 0.00 C ATOM 218 C GLY A 13 1.213 -10.100 -11.689 1.00 0.00 C ATOM 219 O GLY A 13 1.176 -11.302 -11.420 1.00 0.00 O ATOM 0 H GLY A 13 2.128 -7.365 -11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.149 -9.869 -10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.921 -8.805 -10.129 1.00 0.00 H new ATOM 223 N ILE A 14 0.369 -9.539 -12.576 1.00 0.00 N ATOM 224 CA ILE A 14 -0.735 -10.303 -13.206 1.00 0.00 C ATOM 225 C ILE A 14 -0.205 -11.559 -13.911 1.00 0.00 C ATOM 226 O ILE A 14 -0.738 -12.660 -13.741 1.00 0.00 O ATOM 227 CB ILE A 14 -1.537 -9.445 -14.218 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.182 -8.210 -13.556 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.638 -10.282 -14.910 1.00 0.00 C ATOM 230 CD1 ILE A 14 -2.746 -7.207 -14.570 1.00 0.00 C ATOM 0 H ILE A 14 0.426 -8.565 -12.874 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.407 -10.597 -12.399 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.819 -9.100 -14.962 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.984 -8.538 -12.894 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.440 -7.710 -12.934 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.184 -9.654 -15.614 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.180 -11.114 -15.445 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.327 -10.669 -14.159 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.185 -6.362 -14.040 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.943 -6.852 -15.216 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.511 -7.693 -15.176 1.00 0.00 H new ATOM 242 N LYS A 15 0.868 -11.393 -14.693 1.00 0.00 N ATOM 243 CA LYS A 15 1.400 -12.453 -15.562 1.00 0.00 C ATOM 244 C LYS A 15 2.026 -13.614 -14.782 1.00 0.00 C ATOM 245 O LYS A 15 1.992 -14.759 -15.233 1.00 0.00 O ATOM 246 CB LYS A 15 2.389 -11.858 -16.586 1.00 0.00 C ATOM 247 CG LYS A 15 1.989 -12.242 -18.021 1.00 0.00 C ATOM 248 CD LYS A 15 2.950 -11.682 -19.082 1.00 0.00 C ATOM 249 CE LYS A 15 4.291 -12.430 -19.092 1.00 0.00 C ATOM 250 NZ LYS A 15 5.235 -11.844 -20.079 1.00 0.00 N ATOM 0 H LYS A 15 1.393 -10.520 -14.742 1.00 0.00 H new ATOM 0 HA LYS A 15 0.554 -12.882 -16.099 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.411 -10.773 -16.488 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.396 -12.218 -16.376 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.957 -13.328 -18.105 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.982 -11.877 -18.222 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.487 -11.755 -20.066 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.126 -10.624 -18.890 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.735 -12.395 -18.097 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.121 -13.480 -19.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.130 -12.373 -20.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.821 -11.900 -21.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.416 -10.849 -19.838 1.00 0.00 H new ATOM 264 N GLN A 16 2.567 -13.323 -13.600 1.00 0.00 N ATOM 265 CA GLN A 16 3.241 -14.276 -12.730 1.00 0.00 C ATOM 266 C GLN A 16 2.261 -15.145 -11.939 1.00 0.00 C ATOM 267 O GLN A 16 2.470 -16.350 -11.797 1.00 0.00 O ATOM 268 CB GLN A 16 4.159 -13.491 -11.792 1.00 0.00 C ATOM 269 CG GLN A 16 5.375 -12.923 -12.540 1.00 0.00 C ATOM 270 CD GLN A 16 6.520 -12.552 -11.600 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.477 -11.581 -10.856 1.00 0.00 O ATOM 272 NE2 GLN A 16 7.594 -13.313 -11.612 1.00 0.00 N ATOM 0 H GLN A 16 2.545 -12.381 -13.211 1.00 0.00 H new ATOM 0 HA GLN A 16 3.820 -14.967 -13.343 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.600 -12.676 -11.332 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.498 -14.141 -10.985 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.727 -13.657 -13.264 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.071 -12.041 -13.103 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.638 -14.124 -12.229 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.383 -13.092 -11.004 1.00 0.00 H new ATOM 281 N TYR A 17 1.148 -14.559 -11.497 1.00 0.00 N ATOM 282 CA TYR A 17 0.056 -15.294 -10.858 1.00 0.00 C ATOM 283 C TYR A 17 -0.544 -16.382 -11.754 1.00 0.00 C ATOM 284 O TYR A 17 -0.828 -17.484 -11.276 1.00 0.00 O ATOM 285 CB TYR A 17 -1.049 -14.314 -10.454 1.00 0.00 C ATOM 286 CG TYR A 17 -0.845 -13.636 -9.118 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.652 -14.394 -7.943 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.899 -12.234 -9.053 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.433 -13.733 -6.717 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.695 -11.574 -7.831 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.443 -12.321 -6.663 1.00 0.00 C ATOM 292 OH TYR A 17 -0.327 -11.680 -5.471 1.00 0.00 O ATOM 0 H TYR A 17 0.978 -13.556 -11.573 1.00 0.00 H new ATOM 0 HA TYR A 17 0.479 -15.792 -9.985 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.133 -13.547 -11.224 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.998 -14.849 -10.432 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.672 -15.473 -7.983 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.098 -11.661 -9.947 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.258 -14.306 -5.819 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.731 -10.496 -7.786 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.352 -10.711 -5.617 1.00 0.00 H new ATOM 302 N ARG A 18 -0.706 -16.101 -13.054 1.00 0.00 N ATOM 303 CA ARG A 18 -1.271 -17.071 -14.011 1.00 0.00 C ATOM 304 C ARG A 18 -0.388 -18.316 -14.185 1.00 0.00 C ATOM 305 O ARG A 18 -0.886 -19.405 -14.462 1.00 0.00 O ATOM 306 CB ARG A 18 -1.589 -16.369 -15.334 1.00 0.00 C ATOM 307 CG ARG A 18 -2.637 -17.134 -16.158 1.00 0.00 C ATOM 308 CD ARG A 18 -3.054 -16.343 -17.403 1.00 0.00 C ATOM 309 NE ARG A 18 -4.148 -17.022 -18.126 1.00 0.00 N ATOM 310 CZ ARG A 18 -4.846 -16.541 -19.140 1.00 0.00 C ATOM 311 NH1 ARG A 18 -4.604 -15.368 -19.656 1.00 0.00 N ATOM 312 NH2 ARG A 18 -5.816 -17.237 -19.661 1.00 0.00 N ATOM 0 H ARG A 18 -0.453 -15.206 -13.472 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.206 -17.452 -13.601 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.953 -15.362 -15.131 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.674 -16.266 -15.918 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.232 -18.101 -16.458 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.513 -17.333 -15.541 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.373 -15.343 -17.111 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.196 -16.223 -18.065 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.390 -17.961 -17.810 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.855 -14.789 -19.277 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.164 -15.030 -20.439 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.041 -18.159 -19.286 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.351 -16.860 -20.443 1.00 0.00 H new ATOM 326 N GLU A 19 0.916 -18.163 -13.955 1.00 0.00 N ATOM 327 CA GLU A 19 1.913 -19.240 -13.954 1.00 0.00 C ATOM 328 C GLU A 19 1.897 -20.102 -12.674 1.00 0.00 C ATOM 329 O GLU A 19 2.222 -21.288 -12.712 1.00 0.00 O ATOM 330 CB GLU A 19 3.305 -18.602 -14.094 1.00 0.00 C ATOM 331 CG GLU A 19 4.176 -19.261 -15.172 1.00 0.00 C ATOM 332 CD GLU A 19 3.708 -18.905 -16.599 1.00 0.00 C ATOM 333 OE1 GLU A 19 2.839 -19.619 -17.155 1.00 0.00 O ATOM 334 OE2 GLU A 19 4.224 -17.921 -17.183 1.00 0.00 O ATOM 0 H GLU A 19 1.326 -17.250 -13.756 1.00 0.00 H new ATOM 0 HA GLU A 19 1.670 -19.904 -14.784 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.189 -17.544 -14.329 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.821 -18.661 -13.136 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.212 -18.946 -15.042 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.153 -20.343 -15.044 1.00 0.00 H new ATOM 341 N ALA A 20 1.545 -19.507 -11.530 1.00 0.00 N ATOM 342 CA ALA A 20 1.691 -20.105 -10.200 1.00 0.00 C ATOM 343 C ALA A 20 0.573 -21.097 -9.859 1.00 0.00 C ATOM 344 O ALA A 20 0.801 -22.030 -9.086 1.00 0.00 O ATOM 345 CB ALA A 20 1.751 -18.969 -9.171 1.00 0.00 C ATOM 0 H ALA A 20 1.140 -18.571 -11.503 1.00 0.00 H new ATOM 0 HA ALA A 20 2.611 -20.689 -10.183 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.860 -19.389 -8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.603 -18.325 -9.389 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.833 -18.384 -9.221 1.00 0.00 H new ATOM 351 N LEU A 21 -0.604 -20.949 -10.481 1.00 0.00 N ATOM 352 CA LEU A 21 -1.713 -21.906 -10.386 1.00 0.00 C ATOM 353 C LEU A 21 -1.267 -23.326 -10.728 1.00 0.00 C ATOM 354 O LEU A 21 -1.761 -24.275 -10.126 1.00 0.00 O ATOM 355 CB LEU A 21 -2.903 -21.409 -11.224 1.00 0.00 C ATOM 356 CG LEU A 21 -4.146 -22.321 -11.260 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.400 -21.470 -11.476 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.101 -23.337 -12.408 1.00 0.00 C ATOM 0 H LEU A 21 -0.815 -20.147 -11.074 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.053 -21.962 -9.352 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.206 -20.434 -10.842 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.560 -21.258 -12.248 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.164 -22.853 -10.309 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.278 -22.116 -11.501 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.499 -20.754 -10.660 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.317 -20.933 -12.421 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.001 -23.952 -12.385 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.047 -22.808 -13.360 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.223 -23.974 -12.296 1.00 0.00 H new ATOM 370 N GLU A 22 -0.286 -23.496 -11.616 1.00 0.00 N ATOM 371 CA GLU A 22 0.192 -24.840 -11.985 1.00 0.00 C ATOM 372 C GLU A 22 0.822 -25.639 -10.833 1.00 0.00 C ATOM 373 O GLU A 22 0.807 -26.872 -10.848 1.00 0.00 O ATOM 374 CB GLU A 22 1.190 -24.762 -13.145 1.00 0.00 C ATOM 375 CG GLU A 22 0.586 -25.275 -14.461 1.00 0.00 C ATOM 376 CD GLU A 22 0.257 -26.786 -14.410 1.00 0.00 C ATOM 377 OE1 GLU A 22 -0.837 -27.159 -13.913 1.00 0.00 O ATOM 378 OE2 GLU A 22 1.085 -27.607 -14.875 1.00 0.00 O ATOM 0 H GLU A 22 0.193 -22.731 -12.092 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.707 -25.381 -12.281 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.516 -23.730 -13.274 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.076 -25.348 -12.901 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.323 -24.715 -14.683 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.284 -25.085 -15.276 1.00 0.00 H new ATOM 385 N TYR A 23 1.339 -24.942 -9.822 1.00 0.00 N ATOM 386 CA TYR A 23 1.998 -25.529 -8.647 1.00 0.00 C ATOM 387 C TYR A 23 1.103 -25.523 -7.395 1.00 0.00 C ATOM 388 O TYR A 23 1.522 -25.975 -6.329 1.00 0.00 O ATOM 389 CB TYR A 23 3.329 -24.797 -8.405 1.00 0.00 C ATOM 390 CG TYR A 23 4.392 -25.125 -9.437 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.083 -26.351 -9.349 1.00 0.00 C ATOM 392 CD2 TYR A 23 4.687 -24.226 -10.481 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.068 -26.681 -10.302 1.00 0.00 C ATOM 394 CE2 TYR A 23 5.673 -24.551 -11.434 1.00 0.00 C ATOM 395 CZ TYR A 23 6.366 -25.779 -11.347 1.00 0.00 C ATOM 396 OH TYR A 23 7.317 -26.088 -12.273 1.00 0.00 O ATOM 0 H TYR A 23 1.312 -23.923 -9.793 1.00 0.00 H new ATOM 0 HA TYR A 23 2.195 -26.581 -8.852 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.150 -23.722 -8.408 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.703 -25.055 -7.414 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.857 -27.040 -8.548 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.157 -23.287 -10.551 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.594 -27.622 -10.233 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.899 -23.860 -12.232 1.00 0.00 H new ATOM 0 HH TYR A 23 7.393 -25.356 -12.921 1.00 0.00 H new ATOM 406 N THR A 24 -0.130 -25.014 -7.510 1.00 0.00 N ATOM 407 CA THR A 24 -0.964 -24.642 -6.352 1.00 0.00 C ATOM 408 C THR A 24 -2.454 -24.972 -6.491 1.00 0.00 C ATOM 409 O THR A 24 -3.092 -25.259 -5.478 1.00 0.00 O ATOM 410 CB THR A 24 -0.824 -23.140 -6.068 1.00 0.00 C ATOM 411 OG1 THR A 24 -1.163 -22.421 -7.216 1.00 0.00 O ATOM 412 CG2 THR A 24 0.585 -22.680 -5.690 1.00 0.00 C ATOM 0 H THR A 24 -0.582 -24.847 -8.409 1.00 0.00 H new ATOM 0 HA THR A 24 -0.588 -25.250 -5.529 1.00 0.00 H new ATOM 0 HB THR A 24 -1.481 -22.958 -5.218 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.357 -22.253 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.581 -21.605 -5.509 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.907 -23.199 -4.787 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.273 -22.908 -6.504 1.00 0.00 H new ATOM 420 N HIS A 25 -3.006 -24.969 -7.715 1.00 0.00 N ATOM 421 CA HIS A 25 -4.402 -25.283 -8.095 1.00 0.00 C ATOM 422 C HIS A 25 -5.459 -24.918 -7.023 1.00 0.00 C ATOM 423 O HIS A 25 -6.252 -25.754 -6.587 1.00 0.00 O ATOM 424 CB HIS A 25 -4.484 -26.734 -8.620 1.00 0.00 C ATOM 425 CG HIS A 25 -4.017 -26.883 -10.053 1.00 0.00 C ATOM 426 ND1 HIS A 25 -4.828 -26.827 -11.176 1.00 0.00 N ATOM 427 CD2 HIS A 25 -2.734 -27.089 -10.485 1.00 0.00 C ATOM 428 CE1 HIS A 25 -4.051 -26.988 -12.266 1.00 0.00 C ATOM 429 NE2 HIS A 25 -2.772 -27.150 -11.871 1.00 0.00 N ATOM 0 H HIS A 25 -2.447 -24.728 -8.533 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.681 -24.621 -8.915 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.881 -27.378 -7.980 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.514 -27.083 -8.543 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.856 -27.186 -9.863 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.397 -26.987 -13.289 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.970 -27.293 -12.485 1.00 0.00 H new ATOM 438 N ASN A 26 -5.436 -23.660 -6.569 1.00 0.00 N ATOM 439 CA ASN A 26 -6.202 -23.153 -5.417 1.00 0.00 C ATOM 440 C ASN A 26 -7.309 -22.157 -5.842 1.00 0.00 C ATOM 441 O ASN A 26 -7.154 -21.460 -6.849 1.00 0.00 O ATOM 442 CB ASN A 26 -5.194 -22.526 -4.418 1.00 0.00 C ATOM 443 CG ASN A 26 -5.100 -23.300 -3.113 1.00 0.00 C ATOM 444 OD1 ASN A 26 -5.603 -22.882 -2.081 1.00 0.00 O ATOM 445 ND2 ASN A 26 -4.470 -24.449 -3.113 1.00 0.00 N ATOM 0 H ASN A 26 -4.864 -22.938 -7.007 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.733 -23.974 -4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.209 -22.483 -4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.491 -21.499 -4.206 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.400 -24.992 -2.253 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.049 -24.800 -3.973 1.00 0.00 H new ATOM 452 N PRO A 27 -8.400 -22.005 -5.061 1.00 0.00 N ATOM 453 CA PRO A 27 -9.429 -20.992 -5.323 1.00 0.00 C ATOM 454 C PRO A 27 -8.934 -19.557 -5.068 1.00 0.00 C ATOM 455 O PRO A 27 -9.545 -18.599 -5.538 1.00 0.00 O ATOM 456 CB PRO A 27 -10.595 -21.353 -4.397 1.00 0.00 C ATOM 457 CG PRO A 27 -9.910 -22.035 -3.215 1.00 0.00 C ATOM 458 CD PRO A 27 -8.747 -22.776 -3.873 1.00 0.00 C ATOM 0 HA PRO A 27 -9.719 -20.999 -6.374 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.149 -20.468 -4.084 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.307 -22.017 -4.887 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.562 -21.311 -2.478 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.583 -22.719 -2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.897 -22.850 -3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -9.033 -23.794 -4.138 1.00 0.00 H new ATOM 466 N VAL A 28 -7.822 -19.389 -4.341 1.00 0.00 N ATOM 467 CA VAL A 28 -7.270 -18.085 -3.965 1.00 0.00 C ATOM 468 C VAL A 28 -6.699 -17.341 -5.169 1.00 0.00 C ATOM 469 O VAL A 28 -6.896 -16.140 -5.283 1.00 0.00 O ATOM 470 CB VAL A 28 -6.212 -18.225 -2.855 1.00 0.00 C ATOM 471 CG1 VAL A 28 -6.118 -16.915 -2.085 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.515 -19.315 -1.814 1.00 0.00 C ATOM 0 H VAL A 28 -7.271 -20.173 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.095 -17.490 -3.574 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.292 -18.496 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.370 -17.009 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.831 -16.113 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.086 -16.684 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.717 -19.341 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.462 -19.094 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.581 -20.283 -2.310 1.00 0.00 H new ATOM 482 N LEU A 29 -6.074 -18.021 -6.134 1.00 0.00 N ATOM 483 CA LEU A 29 -5.561 -17.373 -7.346 1.00 0.00 C ATOM 484 C LEU A 29 -6.709 -16.814 -8.212 1.00 0.00 C ATOM 485 O LEU A 29 -6.580 -15.734 -8.789 1.00 0.00 O ATOM 486 CB LEU A 29 -4.701 -18.374 -8.127 1.00 0.00 C ATOM 487 CG LEU A 29 -3.589 -19.062 -7.305 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.808 -20.567 -7.296 1.00 0.00 C ATOM 489 CD2 LEU A 29 -2.197 -18.748 -7.850 1.00 0.00 C ATOM 0 H LEU A 29 -5.910 -19.027 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.942 -16.522 -7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.353 -19.143 -8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.242 -17.856 -8.969 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.643 -18.672 -6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.020 -21.046 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.776 -20.791 -6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.785 -20.944 -8.318 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.446 -19.252 -7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.123 -19.096 -8.880 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.028 -17.672 -7.817 1.00 0.00 H new ATOM 501 N ALA A 30 -7.868 -17.490 -8.195 1.00 0.00 N ATOM 502 CA ALA A 30 -9.142 -17.026 -8.760 1.00 0.00 C ATOM 503 C ALA A 30 -9.825 -15.894 -7.944 1.00 0.00 C ATOM 504 O ALA A 30 -10.947 -15.489 -8.256 1.00 0.00 O ATOM 505 CB ALA A 30 -10.060 -18.242 -8.948 1.00 0.00 C ATOM 0 H ALA A 30 -7.945 -18.414 -7.769 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.934 -16.562 -9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.012 -17.918 -9.367 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.588 -18.953 -9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.232 -18.720 -7.984 1.00 0.00 H new ATOM 511 N LYS A 31 -9.133 -15.349 -6.933 1.00 0.00 N ATOM 512 CA LYS A 31 -9.390 -14.064 -6.280 1.00 0.00 C ATOM 513 C LYS A 31 -8.239 -13.095 -6.527 1.00 0.00 C ATOM 514 O LYS A 31 -8.490 -11.949 -6.884 1.00 0.00 O ATOM 515 CB LYS A 31 -9.579 -14.235 -4.756 1.00 0.00 C ATOM 516 CG LYS A 31 -10.629 -15.253 -4.289 1.00 0.00 C ATOM 517 CD LYS A 31 -12.063 -14.721 -4.383 1.00 0.00 C ATOM 518 CE LYS A 31 -13.022 -15.776 -3.813 1.00 0.00 C ATOM 519 NZ LYS A 31 -14.403 -15.248 -3.670 1.00 0.00 N ATOM 0 H LYS A 31 -8.329 -15.827 -6.526 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.308 -13.663 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.618 -14.519 -4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.841 -13.263 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.543 -16.158 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.419 -15.536 -3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.156 -13.788 -3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.317 -14.502 -5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.032 -16.648 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.658 -16.110 -2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.020 -15.990 -3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.397 -14.431 -3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.760 -14.953 -4.601 1.00 0.00 H new ATOM 533 N ILE A 32 -6.988 -13.546 -6.386 1.00 0.00 N ATOM 534 CA ILE A 32 -5.838 -12.639 -6.356 1.00 0.00 C ATOM 535 C ILE A 32 -5.634 -11.944 -7.705 1.00 0.00 C ATOM 536 O ILE A 32 -5.859 -10.740 -7.817 1.00 0.00 O ATOM 537 CB ILE A 32 -4.536 -13.294 -5.850 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.620 -13.968 -4.462 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.498 -12.171 -5.717 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.612 -15.122 -4.336 1.00 0.00 C ATOM 0 H ILE A 32 -6.747 -14.533 -6.291 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.086 -11.878 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.294 -14.079 -6.566 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.428 -13.229 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.630 -14.346 -4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.556 -12.587 -5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.343 -11.702 -6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.857 -11.426 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.698 -15.574 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.822 -15.873 -5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.601 -14.739 -4.473 1.00 0.00 H new ATOM 552 N LEU A 33 -5.267 -12.690 -8.752 1.00 0.00 N ATOM 553 CA LEU A 33 -5.122 -12.116 -10.096 1.00 0.00 C ATOM 554 C LEU A 33 -6.478 -11.729 -10.694 1.00 0.00 C ATOM 555 O LEU A 33 -6.546 -10.824 -11.519 1.00 0.00 O ATOM 556 CB LEU A 33 -4.311 -13.061 -10.998 1.00 0.00 C ATOM 557 CG LEU A 33 -5.121 -14.201 -11.642 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.549 -13.866 -13.074 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.337 -15.512 -11.703 1.00 0.00 C ATOM 0 H LEU A 33 -5.065 -13.688 -8.697 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.558 -11.186 -10.020 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.847 -12.473 -11.790 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.504 -13.497 -10.409 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.995 -14.318 -11.001 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.117 -14.699 -13.488 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.170 -12.970 -13.068 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.665 -13.690 -13.686 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.953 -16.283 -12.166 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.432 -15.368 -12.293 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.066 -15.821 -10.694 1.00 0.00 H new ATOM 571 N GLU A 34 -7.558 -12.375 -10.243 1.00 0.00 N ATOM 572 CA GLU A 34 -8.920 -11.990 -10.604 1.00 0.00 C ATOM 573 C GLU A 34 -9.222 -10.546 -10.164 1.00 0.00 C ATOM 574 O GLU A 34 -10.003 -9.851 -10.816 1.00 0.00 O ATOM 575 CB GLU A 34 -9.919 -12.996 -10.016 1.00 0.00 C ATOM 576 CG GLU A 34 -11.350 -12.866 -10.559 1.00 0.00 C ATOM 577 CD GLU A 34 -11.448 -13.177 -12.068 1.00 0.00 C ATOM 578 OE1 GLU A 34 -11.116 -14.313 -12.485 1.00 0.00 O ATOM 579 OE2 GLU A 34 -11.881 -12.295 -12.847 1.00 0.00 O ATOM 0 H GLU A 34 -7.509 -13.179 -9.617 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.021 -12.012 -11.689 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.559 -14.005 -10.216 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.943 -12.874 -8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.005 -13.543 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.712 -11.854 -10.377 1.00 0.00 H new ATOM 586 N ASP A 35 -8.574 -10.052 -9.102 1.00 0.00 N ATOM 587 CA ASP A 35 -8.546 -8.633 -8.784 1.00 0.00 C ATOM 588 C ASP A 35 -7.479 -7.814 -9.522 1.00 0.00 C ATOM 589 O ASP A 35 -7.804 -6.759 -10.063 1.00 0.00 O ATOM 590 CB ASP A 35 -8.328 -8.413 -7.287 1.00 0.00 C ATOM 591 CG ASP A 35 -9.352 -9.031 -6.330 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.528 -9.233 -6.727 1.00 0.00 O ATOM 593 OD2 ASP A 35 -8.967 -9.223 -5.152 1.00 0.00 O ATOM 0 H ASP A 35 -8.056 -10.632 -8.442 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.521 -8.278 -9.117 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.345 -8.805 -7.028 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.301 -7.339 -7.104 1.00 0.00 H new ATOM 598 N GLU A 36 -6.218 -8.257 -9.583 1.00 0.00 N ATOM 599 CA GLU A 36 -5.169 -7.501 -10.284 1.00 0.00 C ATOM 600 C GLU A 36 -5.492 -7.251 -11.772 1.00 0.00 C ATOM 601 O GLU A 36 -4.995 -6.284 -12.348 1.00 0.00 O ATOM 602 CB GLU A 36 -3.805 -8.201 -10.130 1.00 0.00 C ATOM 603 CG GLU A 36 -3.327 -8.538 -8.701 1.00 0.00 C ATOM 604 CD GLU A 36 -3.039 -7.332 -7.804 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.754 -6.299 -7.876 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.104 -7.353 -6.954 1.00 0.00 O ATOM 0 H GLU A 36 -5.899 -9.128 -9.159 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.124 -6.520 -9.812 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.839 -9.130 -10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.049 -7.568 -10.596 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.085 -9.155 -8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.422 -9.141 -8.772 1.00 0.00 H new ATOM 613 N GLU A 37 -6.374 -8.051 -12.382 1.00 0.00 N ATOM 614 CA GLU A 37 -6.787 -7.898 -13.789 1.00 0.00 C ATOM 615 C GLU A 37 -7.710 -6.683 -13.991 1.00 0.00 C ATOM 616 O GLU A 37 -7.641 -6.005 -15.019 1.00 0.00 O ATOM 617 CB GLU A 37 -7.458 -9.205 -14.253 1.00 0.00 C ATOM 618 CG GLU A 37 -7.623 -9.363 -15.774 1.00 0.00 C ATOM 619 CD GLU A 37 -8.808 -8.592 -16.399 1.00 0.00 C ATOM 620 OE1 GLU A 37 -9.893 -8.498 -15.775 1.00 0.00 O ATOM 621 OE2 GLU A 37 -8.681 -8.135 -17.561 1.00 0.00 O ATOM 0 H GLU A 37 -6.828 -8.833 -11.910 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.904 -7.708 -14.399 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.873 -10.045 -13.880 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.442 -9.271 -13.790 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.703 -9.034 -16.258 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.742 -10.423 -16.001 1.00 0.00 H new ATOM 628 N LYS A 38 -8.525 -6.369 -12.975 1.00 0.00 N ATOM 629 CA LYS A 38 -9.469 -5.240 -12.941 1.00 0.00 C ATOM 630 C LYS A 38 -8.895 -3.990 -12.283 1.00 0.00 C ATOM 631 O LYS A 38 -9.242 -2.888 -12.696 1.00 0.00 O ATOM 632 CB LYS A 38 -10.801 -5.705 -12.317 1.00 0.00 C ATOM 633 CG LYS A 38 -10.735 -6.294 -10.907 1.00 0.00 C ATOM 634 CD LYS A 38 -12.147 -6.642 -10.414 1.00 0.00 C ATOM 635 CE LYS A 38 -12.104 -7.238 -9.003 1.00 0.00 C ATOM 636 NZ LYS A 38 -11.988 -8.718 -9.025 1.00 0.00 N ATOM 0 H LYS A 38 -8.546 -6.918 -12.116 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.664 -4.926 -13.967 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.482 -4.854 -12.298 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.242 -6.452 -12.977 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.111 -7.188 -10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.270 -5.580 -10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.768 -5.746 -10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.611 -7.352 -11.099 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.259 -6.817 -8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.007 -6.954 -8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.660 -9.054 -8.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.917 -9.136 -9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.306 -9.002 -9.757 1.00 0.00 H new ATOM 650 N HIS A 39 -7.955 -4.136 -11.350 1.00 0.00 N ATOM 651 CA HIS A 39 -7.273 -3.054 -10.648 1.00 0.00 C ATOM 652 C HIS A 39 -6.625 -2.008 -11.557 1.00 0.00 C ATOM 653 O HIS A 39 -6.803 -0.815 -11.330 1.00 0.00 O ATOM 654 CB HIS A 39 -6.203 -3.710 -9.786 1.00 0.00 C ATOM 655 CG HIS A 39 -6.653 -4.164 -8.434 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.772 -4.411 -7.385 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.934 -4.381 -8.020 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.565 -4.761 -6.351 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.861 -4.748 -6.699 1.00 0.00 N ATOM 0 H HIS A 39 -7.634 -5.057 -11.050 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.017 -2.502 -10.073 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.804 -4.570 -10.324 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.382 -3.005 -9.658 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.754 -4.343 -7.396 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.830 -4.283 -8.615 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.202 -5.019 -5.367 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.650 -4.971 -6.092 1.00 0.00 H new ATOM 667 N ILE A 40 -5.875 -2.432 -12.575 1.00 0.00 N ATOM 668 CA ILE A 40 -5.151 -1.481 -13.442 1.00 0.00 C ATOM 669 C ILE A 40 -6.119 -0.552 -14.183 1.00 0.00 C ATOM 670 O ILE A 40 -5.946 0.668 -14.166 1.00 0.00 O ATOM 671 CB ILE A 40 -4.198 -2.208 -14.411 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.250 -3.087 -13.569 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.404 -1.200 -15.267 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.130 -3.728 -14.372 1.00 0.00 C ATOM 0 H ILE A 40 -5.749 -3.413 -12.823 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.533 -0.856 -12.798 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.768 -2.828 -15.103 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.814 -2.478 -12.777 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.832 -3.871 -13.085 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.739 -1.740 -15.942 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.097 -0.592 -15.849 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.814 -0.555 -14.616 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.507 -4.330 -13.711 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.556 -4.364 -15.147 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.523 -2.950 -14.835 1.00 0.00 H new ATOM 686 N GLU A 41 -7.176 -1.110 -14.777 1.00 0.00 N ATOM 687 CA GLU A 41 -8.227 -0.309 -15.408 1.00 0.00 C ATOM 688 C GLU A 41 -9.062 0.475 -14.388 1.00 0.00 C ATOM 689 O GLU A 41 -9.412 1.622 -14.659 1.00 0.00 O ATOM 690 CB GLU A 41 -9.097 -1.168 -16.338 1.00 0.00 C ATOM 691 CG GLU A 41 -8.321 -1.525 -17.616 1.00 0.00 C ATOM 692 CD GLU A 41 -9.201 -2.272 -18.637 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.124 -1.652 -19.223 1.00 0.00 O ATOM 694 OE2 GLU A 41 -8.963 -3.479 -18.886 1.00 0.00 O ATOM 0 H GLU A 41 -7.327 -2.117 -14.834 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.732 0.440 -16.026 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.402 -2.079 -15.823 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.008 -0.628 -16.596 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.933 -0.614 -18.071 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.462 -2.143 -17.357 1.00 0.00 H new ATOM 701 N TRP A 42 -9.298 -0.069 -13.190 1.00 0.00 N ATOM 702 CA TRP A 42 -9.920 0.657 -12.069 1.00 0.00 C ATOM 703 C TRP A 42 -9.231 2.002 -11.713 1.00 0.00 C ATOM 704 O TRP A 42 -9.935 2.990 -11.511 1.00 0.00 O ATOM 705 CB TRP A 42 -10.059 -0.313 -10.876 1.00 0.00 C ATOM 706 CG TRP A 42 -11.275 -1.189 -10.845 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.232 -1.290 -11.796 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.681 -2.102 -9.779 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.220 -2.157 -11.370 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.949 -2.662 -10.114 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.104 -2.505 -8.557 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.634 -3.528 -9.249 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.762 -3.401 -7.694 1.00 0.00 C ATOM 714 CH2 TRP A 42 -13.034 -3.899 -8.030 1.00 0.00 C ATOM 0 H TRP A 42 -9.062 -1.035 -12.965 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.913 0.983 -12.378 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.179 -0.956 -10.859 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.043 0.275 -9.958 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.225 -0.772 -12.744 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.048 -2.395 -11.916 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.136 -2.117 -8.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.610 -3.906 -9.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.290 -3.707 -6.772 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.550 -4.565 -7.354 1.00 0.00 H new ATOM 725 N LEU A 43 -7.893 2.100 -11.717 1.00 0.00 N ATOM 726 CA LEU A 43 -7.126 3.367 -11.580 1.00 0.00 C ATOM 727 C LEU A 43 -7.311 4.294 -12.805 1.00 0.00 C ATOM 728 O LEU A 43 -7.502 5.503 -12.666 1.00 0.00 O ATOM 729 CB LEU A 43 -5.625 3.033 -11.459 1.00 0.00 C ATOM 730 CG LEU A 43 -5.215 2.010 -10.383 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.885 1.388 -10.773 1.00 0.00 C ATOM 732 CD2 LEU A 43 -5.004 2.570 -8.983 1.00 0.00 C ATOM 0 H LEU A 43 -7.290 1.284 -11.818 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.497 3.883 -10.695 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.283 2.662 -12.425 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.087 3.961 -11.265 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.052 1.313 -10.343 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.587 0.662 -10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.986 0.888 -11.736 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.127 2.167 -10.847 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.719 1.763 -8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.214 3.320 -9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.928 3.028 -8.631 1.00 0.00 H new ATOM 744 N GLU A 44 -7.249 3.731 -14.015 1.00 0.00 N ATOM 745 CA GLU A 44 -7.276 4.447 -15.303 1.00 0.00 C ATOM 746 C GLU A 44 -8.633 5.099 -15.592 1.00 0.00 C ATOM 747 O GLU A 44 -8.707 6.222 -16.096 1.00 0.00 O ATOM 748 CB GLU A 44 -6.948 3.446 -16.424 1.00 0.00 C ATOM 749 CG GLU A 44 -5.759 3.872 -17.296 1.00 0.00 C ATOM 750 CD GLU A 44 -6.102 5.043 -18.237 1.00 0.00 C ATOM 751 OE1 GLU A 44 -6.839 4.831 -19.231 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.609 6.174 -18.010 1.00 0.00 O ATOM 0 H GLU A 44 -7.175 2.721 -14.134 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.539 5.249 -15.254 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.733 2.474 -15.981 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.826 3.321 -17.057 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.927 4.159 -16.653 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.425 3.021 -17.889 1.00 0.00 H new ATOM 759 N THR A 45 -9.716 4.412 -15.227 1.00 0.00 N ATOM 760 CA THR A 45 -11.080 4.935 -15.255 1.00 0.00 C ATOM 761 C THR A 45 -11.201 6.269 -14.505 1.00 0.00 C ATOM 762 O THR A 45 -11.867 7.187 -14.988 1.00 0.00 O ATOM 763 CB THR A 45 -12.070 3.896 -14.710 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.144 2.785 -15.580 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.497 4.417 -14.545 1.00 0.00 C ATOM 0 H THR A 45 -9.666 3.449 -14.894 1.00 0.00 H new ATOM 0 HA THR A 45 -11.333 5.135 -16.296 1.00 0.00 H new ATOM 0 HB THR A 45 -11.681 3.632 -13.727 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.351 2.222 -15.459 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.132 3.621 -14.156 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.500 5.256 -13.850 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.878 4.745 -15.512 1.00 0.00 H new ATOM 773 N ILE A 46 -10.521 6.412 -13.359 1.00 0.00 N ATOM 774 CA ILE A 46 -10.539 7.666 -12.571 1.00 0.00 C ATOM 775 C ILE A 46 -9.785 8.807 -13.275 1.00 0.00 C ATOM 776 O ILE A 46 -10.236 9.955 -13.273 1.00 0.00 O ATOM 777 CB ILE A 46 -10.007 7.449 -11.133 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.659 6.250 -10.407 1.00 0.00 C ATOM 779 CG2 ILE A 46 -10.198 8.714 -10.272 1.00 0.00 C ATOM 780 CD1 ILE A 46 -12.186 6.144 -10.534 1.00 0.00 C ATOM 0 H ILE A 46 -9.947 5.674 -12.950 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.583 7.969 -12.496 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.946 7.228 -11.252 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.216 5.331 -10.792 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.404 6.307 -9.349 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.815 8.532 -9.268 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.655 9.546 -10.722 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.258 8.960 -10.217 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.537 5.268 -9.988 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.649 7.040 -10.120 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.458 6.048 -11.585 1.00 0.00 H new ATOM 792 N LEU A 47 -8.663 8.484 -13.919 1.00 0.00 N ATOM 793 CA LEU A 47 -7.814 9.405 -14.683 1.00 0.00 C ATOM 794 C LEU A 47 -8.503 10.101 -15.878 1.00 0.00 C ATOM 795 O LEU A 47 -8.053 11.170 -16.297 1.00 0.00 O ATOM 796 CB LEU A 47 -6.551 8.646 -15.153 1.00 0.00 C ATOM 797 CG LEU A 47 -5.285 8.999 -14.360 1.00 0.00 C ATOM 798 CD1 LEU A 47 -4.127 8.100 -14.796 1.00 0.00 C ATOM 799 CD2 LEU A 47 -4.873 10.453 -14.595 1.00 0.00 C ATOM 0 H LEU A 47 -8.303 7.530 -13.924 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.560 10.219 -14.004 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.732 7.574 -15.073 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.380 8.862 -16.208 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.508 8.852 -13.303 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.233 8.357 -14.228 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.386 7.057 -14.612 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.935 8.244 -15.859 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.973 10.674 -14.020 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.673 10.608 -15.655 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.678 11.115 -14.277 1.00 0.00 H new ATOM 811 N GLY A 48 -9.581 9.527 -16.423 1.00 0.00 N ATOM 812 CA GLY A 48 -10.358 10.128 -17.518 1.00 0.00 C ATOM 813 C GLY A 48 -11.383 9.200 -18.186 1.00 0.00 C ATOM 814 O GLY A 48 -12.327 9.671 -18.821 1.00 0.00 O ATOM 0 H GLY A 48 -9.944 8.625 -16.115 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.882 11.002 -17.131 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.665 10.484 -18.280 1.00 0.00 H new ATOM 828 N ASP B 1 11.511 -19.040 -6.015 1.00 0.00 N ATOM 829 CA ASP B 1 11.990 -17.643 -5.999 1.00 0.00 C ATOM 830 C ASP B 1 10.933 -16.611 -6.440 1.00 0.00 C ATOM 831 O ASP B 1 10.902 -15.478 -5.954 1.00 0.00 O ATOM 832 CB ASP B 1 13.227 -17.556 -6.903 1.00 0.00 C ATOM 833 CG ASP B 1 13.946 -16.201 -6.789 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.538 -15.919 -5.719 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.952 -15.433 -7.780 1.00 0.00 O ATOM 0 H1 ASP B 1 12.240 -19.662 -5.611 1.00 0.00 H new ATOM 0 H2 ASP B 1 10.641 -19.115 -5.450 1.00 0.00 H new ATOM 0 H3 ASP B 1 11.314 -19.328 -6.995 1.00 0.00 H new ATOM 0 HA ASP B 1 12.228 -17.387 -4.967 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.921 -18.355 -6.642 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.928 -17.719 -7.939 1.00 0.00 H new ATOM 840 N TYR B 2 10.028 -17.034 -7.324 1.00 0.00 N ATOM 841 CA TYR B 2 8.888 -16.247 -7.805 1.00 0.00 C ATOM 842 C TYR B 2 7.977 -15.722 -6.685 1.00 0.00 C ATOM 843 O TYR B 2 7.439 -14.623 -6.792 1.00 0.00 O ATOM 844 CB TYR B 2 8.074 -17.080 -8.804 1.00 0.00 C ATOM 845 CG TYR B 2 7.208 -18.186 -8.219 1.00 0.00 C ATOM 846 CD1 TYR B 2 7.740 -19.472 -7.996 1.00 0.00 C ATOM 847 CD2 TYR B 2 5.855 -17.926 -7.920 1.00 0.00 C ATOM 848 CE1 TYR B 2 6.925 -20.491 -7.460 1.00 0.00 C ATOM 849 CE2 TYR B 2 5.037 -18.944 -7.392 1.00 0.00 C ATOM 850 CZ TYR B 2 5.571 -20.230 -7.159 1.00 0.00 C ATOM 851 OH TYR B 2 4.786 -21.216 -6.645 1.00 0.00 O ATOM 0 H TYR B 2 10.069 -17.965 -7.740 1.00 0.00 H new ATOM 0 HA TYR B 2 9.302 -15.364 -8.291 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.430 -16.404 -9.367 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.765 -17.529 -9.517 1.00 0.00 H new ATOM 0 HD1 TYR B 2 8.773 -19.677 -8.236 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.444 -16.943 -8.096 1.00 0.00 H new ATOM 0 HE1 TYR B 2 7.338 -21.473 -7.280 1.00 0.00 H new ATOM 0 HE2 TYR B 2 4.001 -18.741 -7.165 1.00 0.00 H new ATOM 0 HH TYR B 2 3.882 -20.869 -6.494 1.00 0.00 H new ATOM 861 N LEU B 3 7.827 -16.485 -5.598 1.00 0.00 N ATOM 862 CA LEU B 3 7.022 -16.117 -4.423 1.00 0.00 C ATOM 863 C LEU B 3 7.580 -14.870 -3.731 1.00 0.00 C ATOM 864 O LEU B 3 6.835 -13.928 -3.459 1.00 0.00 O ATOM 865 CB LEU B 3 6.967 -17.277 -3.411 1.00 0.00 C ATOM 866 CG LEU B 3 6.229 -18.525 -3.917 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.454 -19.686 -2.948 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.719 -18.293 -4.031 1.00 0.00 C ATOM 0 H LEU B 3 8.272 -17.398 -5.506 1.00 0.00 H new ATOM 0 HA LEU B 3 6.015 -15.900 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.985 -17.556 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.481 -16.926 -2.501 1.00 0.00 H new ATOM 0 HG LEU B 3 6.627 -18.753 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.929 -20.570 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.520 -19.901 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.073 -19.417 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.238 -19.202 -4.392 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.316 -18.033 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.528 -17.479 -4.730 1.00 0.00 H new ATOM 880 N ARG B 4 8.897 -14.834 -3.490 1.00 0.00 N ATOM 881 CA ARG B 4 9.591 -13.659 -2.935 1.00 0.00 C ATOM 882 C ARG B 4 9.433 -12.441 -3.844 1.00 0.00 C ATOM 883 O ARG B 4 9.148 -11.349 -3.359 1.00 0.00 O ATOM 884 CB ARG B 4 11.067 -14.010 -2.672 1.00 0.00 C ATOM 885 CG ARG B 4 11.847 -12.848 -2.035 1.00 0.00 C ATOM 886 CD ARG B 4 13.254 -13.295 -1.621 1.00 0.00 C ATOM 887 NE ARG B 4 14.044 -12.160 -1.098 1.00 0.00 N ATOM 888 CZ ARG B 4 14.968 -12.193 -0.151 1.00 0.00 C ATOM 889 NH1 ARG B 4 15.288 -13.290 0.477 1.00 0.00 N ATOM 890 NH2 ARG B 4 15.600 -11.106 0.188 1.00 0.00 N ATOM 0 H ARG B 4 9.517 -15.623 -3.675 1.00 0.00 H new ATOM 0 HA ARG B 4 9.134 -13.388 -1.983 1.00 0.00 H new ATOM 0 HB2 ARG B 4 11.119 -14.880 -2.017 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.543 -14.290 -3.612 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.917 -12.021 -2.742 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.308 -12.477 -1.163 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.182 -14.072 -0.860 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.766 -13.733 -2.478 1.00 0.00 H new ATOM 0 HE ARG B 4 13.856 -11.248 -1.514 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.820 -14.166 0.244 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.006 -13.272 1.201 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.384 -10.224 -0.277 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.311 -11.136 0.918 1.00 0.00 H new ATOM 904 N GLU B 5 9.551 -12.634 -5.157 1.00 0.00 N ATOM 905 CA GLU B 5 9.352 -11.569 -6.151 1.00 0.00 C ATOM 906 C GLU B 5 7.903 -11.030 -6.165 1.00 0.00 C ATOM 907 O GLU B 5 7.689 -9.826 -6.324 1.00 0.00 O ATOM 908 CB GLU B 5 9.796 -12.088 -7.526 1.00 0.00 C ATOM 909 CG GLU B 5 9.892 -10.981 -8.581 1.00 0.00 C ATOM 910 CD GLU B 5 10.562 -11.501 -9.867 1.00 0.00 C ATOM 911 OE1 GLU B 5 10.028 -12.450 -10.493 1.00 0.00 O ATOM 912 OE2 GLU B 5 11.623 -10.960 -10.266 1.00 0.00 O ATOM 0 H GLU B 5 9.788 -13.537 -5.568 1.00 0.00 H new ATOM 0 HA GLU B 5 9.967 -10.712 -5.877 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.766 -12.575 -7.429 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.092 -12.847 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.895 -10.606 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU B 5 10.463 -10.142 -8.183 1.00 0.00 H new ATOM 919 N LEU B 6 6.913 -11.900 -5.929 1.00 0.00 N ATOM 920 CA LEU B 6 5.496 -11.562 -5.747 1.00 0.00 C ATOM 921 C LEU B 6 5.244 -10.714 -4.488 1.00 0.00 C ATOM 922 O LEU B 6 4.628 -9.650 -4.558 1.00 0.00 O ATOM 923 CB LEU B 6 4.683 -12.880 -5.692 1.00 0.00 C ATOM 924 CG LEU B 6 3.686 -13.041 -6.843 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.344 -13.038 -8.224 1.00 0.00 C ATOM 926 CD2 LEU B 6 2.944 -14.371 -6.712 1.00 0.00 C ATOM 0 H LEU B 6 7.086 -12.903 -5.857 1.00 0.00 H new ATOM 0 HA LEU B 6 5.176 -10.950 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.374 -13.723 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.142 -12.923 -4.747 1.00 0.00 H new ATOM 0 HG LEU B 6 3.017 -12.184 -6.770 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.579 -13.156 -8.992 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.868 -12.094 -8.375 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.055 -13.862 -8.290 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.237 -14.476 -7.535 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.661 -15.192 -6.742 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.404 -14.395 -5.765 1.00 0.00 H new ATOM 938 N LEU B 7 5.727 -11.192 -3.338 1.00 0.00 N ATOM 939 CA LEU B 7 5.567 -10.561 -2.020 1.00 0.00 C ATOM 940 C LEU B 7 6.198 -9.154 -1.939 1.00 0.00 C ATOM 941 O LEU B 7 5.581 -8.216 -1.425 1.00 0.00 O ATOM 942 CB LEU B 7 6.207 -11.466 -0.945 1.00 0.00 C ATOM 943 CG LEU B 7 5.481 -12.800 -0.698 1.00 0.00 C ATOM 944 CD1 LEU B 7 6.367 -13.750 0.110 1.00 0.00 C ATOM 945 CD2 LEU B 7 4.166 -12.618 0.060 1.00 0.00 C ATOM 0 H LEU B 7 6.260 -12.061 -3.295 1.00 0.00 H new ATOM 0 HA LEU B 7 4.497 -10.441 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.236 -11.679 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.250 -10.914 -0.006 1.00 0.00 H new ATOM 0 HG LEU B 7 5.264 -13.216 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU B 7 5.838 -14.689 0.276 1.00 0.00 H new ATOM 0 HD12 LEU B 7 7.288 -13.945 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.607 -13.295 1.071 1.00 0.00 H new ATOM 0 HD21 LEU B 7 3.694 -13.589 0.208 1.00 0.00 H new ATOM 0 HD22 LEU B 7 4.365 -12.160 1.029 1.00 0.00 H new ATOM 0 HD23 LEU B 7 3.500 -11.975 -0.516 1.00 0.00 H new ATOM 957 N LYS B 8 7.439 -9.016 -2.427 1.00 0.00 N ATOM 958 CA LYS B 8 8.318 -7.842 -2.306 1.00 0.00 C ATOM 959 C LYS B 8 7.884 -6.674 -3.206 1.00 0.00 C ATOM 960 O LYS B 8 8.494 -6.402 -4.243 1.00 0.00 O ATOM 961 CB LYS B 8 9.751 -8.321 -2.599 1.00 0.00 C ATOM 962 CG LYS B 8 10.884 -7.333 -2.283 1.00 0.00 C ATOM 963 CD LYS B 8 11.127 -7.172 -0.775 1.00 0.00 C ATOM 964 CE LYS B 8 12.347 -6.271 -0.564 1.00 0.00 C ATOM 965 NZ LYS B 8 12.692 -6.133 0.875 1.00 0.00 N ATOM 0 H LYS B 8 7.885 -9.769 -2.951 1.00 0.00 H new ATOM 0 HA LYS B 8 8.258 -7.432 -1.298 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.928 -9.235 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.813 -8.584 -3.655 1.00 0.00 H new ATOM 0 HG2 LYS B 8 11.802 -7.675 -2.760 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.644 -6.361 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS B 8 10.250 -6.737 -0.296 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.293 -8.146 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS B 8 13.200 -6.682 -1.104 1.00 0.00 H new ATOM 0 HE3 LYS B 8 12.148 -5.286 -0.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 13.523 -5.516 0.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.888 -5.717 1.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 12.907 -7.070 1.272 1.00 0.00 H new ATOM 979 N GLY B 9 6.811 -5.988 -2.809 1.00 0.00 N ATOM 980 CA GLY B 9 6.337 -4.766 -3.441 1.00 0.00 C ATOM 981 C GLY B 9 4.837 -4.568 -3.558 1.00 0.00 C ATOM 982 O GLY B 9 4.393 -3.535 -4.050 1.00 0.00 O ATOM 0 H GLY B 9 6.236 -6.278 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.744 -3.921 -2.885 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.760 -4.721 -4.444 1.00 0.00 H new ATOM 986 N GLU B 10 4.035 -5.495 -3.051 1.00 0.00 N ATOM 987 CA GLU B 10 2.597 -5.267 -2.875 1.00 0.00 C ATOM 988 C GLU B 10 2.361 -4.109 -1.875 1.00 0.00 C ATOM 989 O GLU B 10 1.555 -3.227 -2.144 1.00 0.00 O ATOM 990 CB GLU B 10 1.958 -6.601 -2.463 1.00 0.00 C ATOM 991 CG GLU B 10 1.826 -7.614 -3.617 1.00 0.00 C ATOM 992 CD GLU B 10 0.586 -7.375 -4.483 1.00 0.00 C ATOM 993 OE1 GLU B 10 0.433 -6.498 -5.355 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.507 -7.964 -4.381 1.00 0.00 O ATOM 0 H GLU B 10 4.352 -6.417 -2.752 1.00 0.00 H new ATOM 0 HA GLU B 10 2.118 -4.945 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.554 -7.048 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.969 -6.406 -2.049 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.716 -7.561 -4.244 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.786 -8.622 -3.205 1.00 0.00 H new ATOM 1001 N LEU B 11 3.171 -3.999 -0.812 1.00 0.00 N ATOM 1002 CA LEU B 11 3.368 -2.842 0.079 1.00 0.00 C ATOM 1003 C LEU B 11 3.873 -1.553 -0.582 1.00 0.00 C ATOM 1004 O LEU B 11 3.583 -0.470 -0.078 1.00 0.00 O ATOM 1005 CB LEU B 11 4.260 -3.358 1.209 1.00 0.00 C ATOM 1006 CG LEU B 11 5.711 -3.590 0.767 1.00 0.00 C ATOM 1007 CD1 LEU B 11 6.597 -2.427 1.205 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.235 -4.905 1.330 1.00 0.00 C ATOM 0 H LEU B 11 3.756 -4.784 -0.528 1.00 0.00 H new ATOM 0 HA LEU B 11 2.403 -2.492 0.446 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.246 -2.643 2.031 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.849 -4.292 1.592 1.00 0.00 H new ATOM 0 HG LEU B 11 5.735 -3.648 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.622 -2.609 0.883 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.234 -1.503 0.755 1.00 0.00 H new ATOM 0 HD13 LEU B 11 6.569 -2.337 2.291 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.265 -5.054 1.007 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.197 -4.876 2.419 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.618 -5.727 0.967 1.00 0.00 H new ATOM 1020 N GLN B 12 4.549 -1.662 -1.726 1.00 0.00 N ATOM 1021 CA GLN B 12 4.907 -0.551 -2.607 1.00 0.00 C ATOM 1022 C GLN B 12 3.710 -0.098 -3.483 1.00 0.00 C ATOM 1023 O GLN B 12 3.811 0.873 -4.236 1.00 0.00 O ATOM 1024 CB GLN B 12 6.161 -0.930 -3.418 1.00 0.00 C ATOM 1025 CG GLN B 12 7.029 0.281 -3.799 1.00 0.00 C ATOM 1026 CD GLN B 12 8.338 -0.129 -4.481 1.00 0.00 C ATOM 1027 OE1 GLN B 12 9.025 -1.063 -4.085 1.00 0.00 O ATOM 1028 NE2 GLN B 12 8.746 0.551 -5.534 1.00 0.00 N ATOM 0 H GLN B 12 4.875 -2.562 -2.078 1.00 0.00 H new ATOM 0 HA GLN B 12 5.156 0.325 -2.007 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.762 -1.631 -2.838 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.855 -1.449 -4.326 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.465 0.934 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.255 0.859 -2.903 1.00 0.00 H new ATOM 0 HE21 GLN B 12 8.191 1.333 -5.883 1.00 0.00 H new ATOM 0 HE22 GLN B 12 9.616 0.295 -6.000 1.00 0.00 H new ATOM 1037 N GLY B 13 2.562 -0.783 -3.352 1.00 0.00 N ATOM 1038 CA GLY B 13 1.239 -0.343 -3.791 1.00 0.00 C ATOM 1039 C GLY B 13 0.321 0.019 -2.615 1.00 0.00 C ATOM 1040 O GLY B 13 -0.210 1.123 -2.608 1.00 0.00 O ATOM 0 H GLY B 13 2.537 -1.704 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.346 0.523 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.774 -1.133 -4.381 1.00 0.00 H new ATOM 1044 N ILE B 14 0.173 -0.837 -1.588 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.759 -0.650 -0.444 1.00 0.00 C ATOM 1046 C ILE B 14 -0.638 0.755 0.170 1.00 0.00 C ATOM 1047 O ILE B 14 -1.620 1.497 0.255 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.523 -1.720 0.661 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.837 -3.155 0.195 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.360 -1.447 1.929 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.156 -4.259 1.017 1.00 0.00 C ATOM 0 H ILE B 14 0.709 -1.702 -1.522 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.766 -0.768 -0.844 1.00 0.00 H new ATOM 0 HB ILE B 14 0.540 -1.641 0.887 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.916 -3.307 0.231 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.536 -3.258 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.160 -2.221 2.670 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -1.092 -0.473 2.339 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.420 -1.454 1.674 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.434 -5.234 0.617 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.926 -4.139 0.961 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.476 -4.188 2.057 1.00 0.00 H new ATOM 1063 N LYS B 15 0.579 1.129 0.586 1.00 0.00 N ATOM 1064 CA LYS B 15 0.874 2.394 1.264 1.00 0.00 C ATOM 1065 C LYS B 15 0.696 3.605 0.341 1.00 0.00 C ATOM 1066 O LYS B 15 0.160 4.637 0.744 1.00 0.00 O ATOM 1067 CB LYS B 15 2.295 2.290 1.847 1.00 0.00 C ATOM 1068 CG LYS B 15 2.657 3.455 2.778 1.00 0.00 C ATOM 1069 CD LYS B 15 4.061 3.250 3.363 1.00 0.00 C ATOM 1070 CE LYS B 15 4.414 4.402 4.311 1.00 0.00 C ATOM 1071 NZ LYS B 15 5.780 4.243 4.878 1.00 0.00 N ATOM 0 H LYS B 15 1.405 0.544 0.456 1.00 0.00 H new ATOM 0 HA LYS B 15 0.161 2.560 2.072 1.00 0.00 H new ATOM 0 HB2 LYS B 15 2.387 1.353 2.396 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.014 2.251 1.029 1.00 0.00 H new ATOM 0 HG2 LYS B 15 2.618 4.395 2.228 1.00 0.00 H new ATOM 0 HG3 LYS B 15 1.926 3.527 3.584 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.104 2.302 3.899 1.00 0.00 H new ATOM 0 HD3 LYS B 15 4.794 3.195 2.558 1.00 0.00 H new ATOM 0 HE2 LYS B 15 4.350 5.349 3.775 1.00 0.00 H new ATOM 0 HE3 LYS B 15 3.686 4.444 5.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.986 5.039 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 5.833 3.351 5.410 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.477 4.227 4.106 1.00 0.00 H new ATOM 1085 N GLN B 16 1.089 3.452 -0.920 1.00 0.00 N ATOM 1086 CA GLN B 16 1.016 4.463 -1.969 1.00 0.00 C ATOM 1087 C GLN B 16 -0.425 4.738 -2.412 1.00 0.00 C ATOM 1088 O GLN B 16 -0.800 5.887 -2.639 1.00 0.00 O ATOM 1089 CB GLN B 16 1.872 3.995 -3.157 1.00 0.00 C ATOM 1090 CG GLN B 16 3.384 4.238 -2.993 1.00 0.00 C ATOM 1091 CD GLN B 16 4.061 3.414 -1.895 1.00 0.00 C ATOM 1092 OE1 GLN B 16 3.643 2.325 -1.533 1.00 0.00 O ATOM 1093 NE2 GLN B 16 5.130 3.905 -1.306 1.00 0.00 N ATOM 0 H GLN B 16 1.487 2.575 -1.254 1.00 0.00 H new ATOM 0 HA GLN B 16 1.400 5.404 -1.575 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.703 2.929 -3.312 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.531 4.506 -4.057 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.875 4.023 -3.942 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.545 5.295 -2.783 1.00 0.00 H new ATOM 0 HE21 GLN B 16 5.498 4.813 -1.591 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.591 3.378 -0.564 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.262 3.705 -2.462 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.691 3.832 -2.713 1.00 0.00 C ATOM 1104 C TYR B 17 -3.408 4.603 -1.611 1.00 0.00 C ATOM 1105 O TYR B 17 -4.313 5.393 -1.897 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.306 2.435 -2.834 1.00 0.00 C ATOM 1107 CG TYR B 17 -2.993 1.674 -4.119 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -2.908 2.342 -5.361 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.834 0.273 -4.075 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -2.707 1.614 -6.546 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.675 -0.458 -5.271 1.00 0.00 C ATOM 1112 CZ TYR B 17 -2.658 0.210 -6.509 1.00 0.00 C ATOM 1113 OH TYR B 17 -2.716 -0.491 -7.670 1.00 0.00 O ATOM 0 H TYR B 17 -0.959 2.741 -2.327 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.815 4.392 -3.640 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.966 1.836 -1.989 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.388 2.527 -2.745 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -2.998 3.418 -5.400 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.834 -0.240 -3.125 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -2.590 2.134 -7.486 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.566 -1.532 -5.236 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.080 -1.384 -7.495 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.983 4.415 -0.357 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.570 5.137 0.774 1.00 0.00 C ATOM 1125 C ARG B 18 -3.287 6.645 0.696 1.00 0.00 C ATOM 1126 O ARG B 18 -4.163 7.461 0.975 1.00 0.00 O ATOM 1127 CB ARG B 18 -3.102 4.499 2.083 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.975 4.886 3.285 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.473 4.179 4.550 1.00 0.00 C ATOM 1130 NE ARG B 18 -4.305 4.510 5.723 1.00 0.00 N ATOM 1131 CZ ARG B 18 -4.092 4.131 6.972 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -3.073 3.390 7.308 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -4.909 4.493 7.919 1.00 0.00 N ATOM 0 H ARG B 18 -2.236 3.770 -0.101 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.656 5.050 0.734 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -3.105 3.415 1.973 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.072 4.797 2.278 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -3.951 5.966 3.429 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -5.013 4.613 3.094 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.479 3.101 4.392 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.440 4.467 4.743 1.00 0.00 H new ATOM 0 HE ARG B 18 -5.127 5.089 5.553 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -2.409 3.084 6.597 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -2.940 3.117 8.282 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.719 5.072 7.700 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -4.739 4.197 8.880 1.00 0.00 H new ATOM 1147 N GLU B 19 -2.089 7.007 0.232 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.675 8.385 -0.076 1.00 0.00 C ATOM 1149 C GLU B 19 -2.453 8.995 -1.265 1.00 0.00 C ATOM 1150 O GLU B 19 -2.798 10.175 -1.263 1.00 0.00 O ATOM 1151 CB GLU B 19 -0.168 8.369 -0.400 1.00 0.00 C ATOM 1152 CG GLU B 19 0.542 9.712 -0.192 1.00 0.00 C ATOM 1153 CD GLU B 19 0.951 9.913 1.282 1.00 0.00 C ATOM 1154 OE1 GLU B 19 0.101 10.335 2.102 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.129 9.655 1.630 1.00 0.00 O ATOM 0 H GLU B 19 -1.351 6.326 0.053 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.893 9.008 0.792 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.316 7.616 0.222 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -0.036 8.059 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU B 19 1.427 9.759 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -0.115 10.524 -0.502 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.752 8.191 -2.287 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.414 8.612 -3.525 1.00 0.00 C ATOM 1164 C ALA B 20 -4.902 8.977 -3.342 1.00 0.00 C ATOM 1165 O ALA B 20 -5.407 9.870 -4.030 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.214 7.509 -4.569 1.00 0.00 C ATOM 0 H ALA B 20 -2.533 7.195 -2.276 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.954 9.540 -3.864 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.698 7.799 -5.502 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.148 7.363 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.653 6.580 -4.205 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.610 8.358 -2.387 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.972 8.770 -2.019 1.00 0.00 C ATOM 1174 C LEU B 21 -7.010 10.173 -1.399 1.00 0.00 C ATOM 1175 O LEU B 21 -8.006 10.869 -1.559 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.634 7.715 -1.121 1.00 0.00 C ATOM 1177 CG LEU B 21 -9.111 7.997 -0.769 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.883 6.687 -0.640 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.275 8.722 0.573 1.00 0.00 C ATOM 0 H LEU B 21 -5.259 7.564 -1.852 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.557 8.836 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.572 6.746 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -7.063 7.637 -0.196 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.490 8.624 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.923 6.900 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.839 6.145 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.439 6.079 0.148 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.334 8.893 0.767 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.854 8.110 1.371 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.754 9.679 0.536 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.949 10.642 -0.741 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.950 12.004 -0.183 1.00 0.00 C ATOM 1193 C GLU B 22 -5.997 13.104 -1.260 1.00 0.00 C ATOM 1194 O GLU B 22 -6.556 14.178 -1.020 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.756 12.191 0.759 1.00 0.00 C ATOM 1196 CG GLU B 22 -5.149 11.803 2.192 1.00 0.00 C ATOM 1197 CD GLU B 22 -3.971 11.914 3.180 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -3.390 13.020 3.325 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -3.643 10.906 3.854 1.00 0.00 O ATOM 0 H GLU B 22 -5.091 10.114 -0.581 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.872 12.114 0.388 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.919 11.578 0.424 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -4.421 13.228 0.733 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.962 12.446 2.528 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -5.528 10.781 2.197 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.487 12.817 -2.458 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.649 13.657 -3.652 1.00 0.00 C ATOM 1208 C TYR B 23 -6.953 13.386 -4.433 1.00 0.00 C ATOM 1209 O TYR B 23 -7.645 14.339 -4.798 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.423 13.476 -4.559 1.00 0.00 C ATOM 1211 CG TYR B 23 -3.143 14.005 -3.935 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.895 15.393 -3.931 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -2.227 13.126 -3.324 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.738 15.905 -3.315 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -1.067 13.635 -2.707 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.819 15.025 -2.699 1.00 0.00 C ATOM 1217 OH TYR B 23 0.298 15.510 -2.090 1.00 0.00 O ATOM 0 H TYR B 23 -4.937 11.976 -2.632 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.725 14.690 -3.313 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -4.299 12.417 -4.787 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.599 13.988 -5.505 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -3.596 16.066 -4.403 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -2.414 12.062 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -1.552 16.969 -3.313 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -0.366 12.960 -2.239 1.00 0.00 H new ATOM 0 HH TYR B 23 0.817 14.766 -1.719 1.00 0.00 H new ATOM 1227 N THR B 24 -7.321 12.122 -4.688 1.00 0.00 N ATOM 1228 CA THR B 24 -8.481 11.783 -5.553 1.00 0.00 C ATOM 1229 C THR B 24 -9.835 11.775 -4.828 1.00 0.00 C ATOM 1230 O THR B 24 -10.869 12.035 -5.443 1.00 0.00 O ATOM 1231 CB THR B 24 -8.326 10.410 -6.225 1.00 0.00 C ATOM 1232 OG1 THR B 24 -8.276 9.396 -5.249 1.00 0.00 O ATOM 1233 CG2 THR B 24 -7.076 10.286 -7.096 1.00 0.00 C ATOM 0 H THR B 24 -6.835 11.309 -4.310 1.00 0.00 H new ATOM 0 HA THR B 24 -8.481 12.585 -6.291 1.00 0.00 H new ATOM 0 HB THR B 24 -9.196 10.303 -6.873 1.00 0.00 H new ATOM 0 HG1 THR B 24 -8.989 8.745 -5.417 1.00 0.00 H new ATOM 0 HG21 THR B 24 -7.036 9.289 -7.536 1.00 0.00 H new ATOM 0 HG22 THR B 24 -7.110 11.032 -7.890 1.00 0.00 H new ATOM 0 HG23 THR B 24 -6.189 10.448 -6.484 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.838 11.475 -3.524 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.995 11.176 -2.659 1.00 0.00 C ATOM 1243 C HIS B 25 -11.960 10.067 -3.170 1.00 0.00 C ATOM 1244 O HIS B 25 -13.083 9.957 -2.672 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.679 12.488 -2.222 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.936 13.139 -1.079 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -11.273 13.054 0.263 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.746 13.808 -1.164 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -10.308 13.667 0.978 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -9.372 14.138 0.125 1.00 0.00 N ATOM 0 H HIS B 25 -8.964 11.430 -3.001 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.600 10.694 -1.765 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -11.726 13.175 -3.067 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.706 12.283 -1.921 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.201 14.036 -2.068 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -10.287 13.765 2.053 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.531 14.651 0.388 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.562 9.232 -4.142 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.437 8.219 -4.773 1.00 0.00 C ATOM 1261 C ASN B 26 -12.471 6.867 -4.015 1.00 0.00 C ATOM 1262 O ASN B 26 -11.419 6.376 -3.598 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.018 8.031 -6.248 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.814 8.935 -7.179 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -12.820 10.150 -7.065 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -13.550 8.376 -8.113 1.00 0.00 N ATOM 0 H ASN B 26 -10.614 9.237 -4.519 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.459 8.595 -4.725 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.955 8.245 -6.354 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.164 6.991 -6.538 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -14.117 8.956 -8.731 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -13.555 7.362 -8.220 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.645 6.201 -3.912 1.00 0.00 N ATOM 1274 CA PRO B 27 -13.799 4.916 -3.209 1.00 0.00 C ATOM 1275 C PRO B 27 -13.136 3.740 -3.944 1.00 0.00 C ATOM 1276 O PRO B 27 -12.824 2.712 -3.347 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.313 4.702 -3.095 1.00 0.00 C ATOM 1278 CG PRO B 27 -15.867 5.416 -4.327 1.00 0.00 C ATOM 1279 CD PRO B 27 -14.931 6.617 -4.466 1.00 0.00 C ATOM 0 HA PRO B 27 -13.302 4.951 -2.239 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.570 3.643 -3.095 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -15.710 5.126 -2.173 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.842 4.778 -5.211 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -16.903 5.724 -4.185 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.828 6.910 -5.511 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.324 7.481 -3.930 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.893 3.889 -5.247 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.218 2.887 -6.087 1.00 0.00 C ATOM 1289 C VAL B 28 -10.777 2.626 -5.637 1.00 0.00 C ATOM 1290 O VAL B 28 -10.378 1.468 -5.525 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.327 3.325 -7.553 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.443 2.521 -8.493 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.777 3.206 -8.045 1.00 0.00 C ATOM 0 H VAL B 28 -13.164 4.726 -5.763 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.715 1.923 -5.977 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.988 4.361 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.571 2.885 -9.513 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.400 2.632 -8.196 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.723 1.469 -8.445 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -13.835 3.521 -9.087 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.106 2.170 -7.960 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -14.421 3.842 -7.437 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.016 3.668 -5.283 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.673 3.512 -4.722 1.00 0.00 C ATOM 1305 C LEU B 29 -8.703 2.828 -3.342 1.00 0.00 C ATOM 1306 O LEU B 29 -7.815 2.032 -3.032 1.00 0.00 O ATOM 1307 CB LEU B 29 -7.970 4.878 -4.667 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.459 5.367 -6.034 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.534 6.028 -6.900 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.332 6.374 -5.827 1.00 0.00 C ATOM 0 H LEU B 29 -10.314 4.639 -5.378 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.101 2.854 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.662 5.617 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.129 4.816 -3.976 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.119 4.476 -6.561 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -8.095 6.345 -7.846 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.335 5.315 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.938 6.896 -6.379 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.971 6.720 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.704 7.223 -5.254 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.515 5.899 -5.283 1.00 0.00 H new ATOM 1322 N ALA B 30 -9.755 3.062 -2.545 1.00 0.00 N ATOM 1323 CA ALA B 30 -9.983 2.329 -1.300 1.00 0.00 C ATOM 1324 C ALA B 30 -10.255 0.831 -1.544 1.00 0.00 C ATOM 1325 O ALA B 30 -9.683 0.002 -0.846 1.00 0.00 O ATOM 1326 CB ALA B 30 -11.109 2.989 -0.494 1.00 0.00 C ATOM 0 H ALA B 30 -10.467 3.763 -2.748 1.00 0.00 H new ATOM 0 HA ALA B 30 -9.066 2.378 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -11.269 2.434 0.430 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -10.833 4.016 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.027 2.987 -1.082 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.053 0.455 -2.557 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.288 -0.949 -2.966 1.00 0.00 C ATOM 1334 C LYS B 31 -10.027 -1.653 -3.477 1.00 0.00 C ATOM 1335 O LYS B 31 -9.784 -2.816 -3.162 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.416 -0.995 -4.021 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.541 -1.948 -3.594 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.724 -1.887 -4.572 1.00 0.00 C ATOM 1339 CE LYS B 31 -15.868 -2.771 -4.059 1.00 0.00 C ATOM 1340 NZ LYS B 31 -17.078 -2.660 -4.916 1.00 0.00 N ATOM 0 H LYS B 31 -11.565 1.127 -3.128 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.591 -1.500 -2.076 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.821 0.006 -4.167 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.008 -1.317 -4.979 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -13.158 -2.967 -3.546 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -13.881 -1.687 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -15.067 -0.858 -4.679 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.408 -2.222 -5.560 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -15.539 -3.810 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.119 -2.485 -3.037 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.829 -3.272 -4.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -17.407 -1.673 -4.926 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -16.845 -2.957 -5.885 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.195 -0.914 -4.200 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.871 -1.342 -4.673 1.00 0.00 C ATOM 1356 C ILE B 32 -6.972 -1.688 -3.484 1.00 0.00 C ATOM 1357 O ILE B 32 -6.540 -2.836 -3.375 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.316 -0.278 -5.645 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -7.805 -0.587 -7.072 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -5.791 -0.206 -5.654 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.935 0.662 -7.941 1.00 0.00 C ATOM 0 H ILE B 32 -9.426 0.037 -4.487 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.927 -2.266 -5.248 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.685 0.687 -5.298 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -7.111 -1.282 -7.545 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -8.772 -1.088 -7.019 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.467 0.561 -6.358 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.433 0.043 -4.655 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.383 -1.171 -5.956 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.283 0.379 -8.934 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.650 1.348 -7.487 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.964 1.151 -8.022 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.754 -0.754 -2.553 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.902 -1.014 -1.386 1.00 0.00 C ATOM 1375 C LEU B 33 -6.532 -1.980 -0.379 1.00 0.00 C ATOM 1376 O LEU B 33 -5.806 -2.695 0.310 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.392 0.296 -0.775 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.330 1.057 0.175 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -6.213 0.593 1.630 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.986 2.544 0.157 1.00 0.00 C ATOM 0 H LEU B 33 -7.153 0.184 -2.583 1.00 0.00 H new ATOM 0 HA LEU B 33 -5.020 -1.550 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.472 0.077 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.128 0.966 -1.593 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.342 0.862 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.900 1.168 2.251 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.464 -0.466 1.696 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.192 0.747 1.980 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.653 3.080 0.832 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.954 2.683 0.481 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.104 2.933 -0.855 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.865 -2.053 -0.333 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.587 -3.068 0.439 1.00 0.00 C ATOM 1394 C GLU B 34 -8.196 -4.470 -0.038 1.00 0.00 C ATOM 1395 O GLU B 34 -7.939 -5.354 0.781 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.105 -2.823 0.352 1.00 0.00 C ATOM 1397 CG GLU B 34 -11.033 -3.997 0.706 1.00 0.00 C ATOM 1398 CD GLU B 34 -10.814 -4.609 2.101 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -10.588 -3.862 3.084 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -10.928 -5.855 2.212 1.00 0.00 O ATOM 0 H GLU B 34 -8.476 -1.407 -0.832 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.308 -2.993 1.490 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.350 -1.990 1.011 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.337 -2.505 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -12.066 -3.657 0.634 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.903 -4.780 -0.041 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.090 -4.673 -1.354 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.660 -5.958 -1.883 1.00 0.00 C ATOM 1409 C ASP B 35 -6.163 -6.244 -1.725 1.00 0.00 C ATOM 1410 O ASP B 35 -5.823 -7.332 -1.263 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.088 -6.118 -3.332 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.590 -5.992 -3.622 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.420 -6.368 -2.752 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.914 -5.577 -4.763 1.00 0.00 O ATOM 0 H ASP B 35 -8.295 -3.968 -2.062 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.164 -6.704 -1.269 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.562 -5.371 -3.927 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.755 -7.096 -3.680 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.250 -5.304 -2.006 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.819 -5.541 -1.777 1.00 0.00 C ATOM 1421 C GLU B 36 -3.477 -5.895 -0.323 1.00 0.00 C ATOM 1422 O GLU B 36 -2.494 -6.593 -0.073 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.007 -4.299 -2.126 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.195 -3.704 -3.507 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.981 -4.672 -4.660 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.120 -5.587 -4.647 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.640 -4.496 -5.708 1.00 0.00 O ATOM 0 H GLU B 36 -5.473 -4.384 -2.387 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.570 -6.388 -2.416 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.241 -3.527 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -1.951 -4.543 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.204 -3.298 -3.576 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.506 -2.867 -3.622 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.296 -5.447 0.633 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.085 -5.742 2.059 1.00 0.00 C ATOM 1436 C GLU B 37 -4.282 -7.240 2.345 1.00 0.00 C ATOM 1437 O GLU B 37 -3.649 -7.807 3.241 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.031 -4.879 2.909 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.624 -4.852 4.387 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.508 -3.882 5.195 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -5.163 -2.679 5.298 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -6.543 -4.320 5.756 1.00 0.00 O ATOM 0 H GLU B 37 -5.119 -4.874 0.446 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.057 -5.496 2.326 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.040 -3.861 2.518 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.047 -5.263 2.821 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.704 -5.855 4.806 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.579 -4.553 4.473 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.118 -7.889 1.527 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.333 -9.338 1.505 1.00 0.00 C ATOM 1451 C LYS B 38 -4.307 -10.050 0.635 1.00 0.00 C ATOM 1452 O LYS B 38 -3.782 -11.065 1.071 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.748 -9.659 0.998 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.813 -9.023 1.895 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.251 -9.280 1.436 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.532 -8.517 0.139 1.00 0.00 C ATOM 1457 NZ LYS B 38 -10.821 -7.785 0.168 1.00 0.00 N ATOM 0 H LYS B 38 -5.685 -7.399 0.835 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.218 -9.698 2.527 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -6.863 -9.295 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.891 -10.739 0.969 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -7.693 -9.404 2.909 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.643 -7.947 1.936 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.406 -10.348 1.280 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -9.950 -8.966 2.211 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -8.723 -7.810 -0.043 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.537 -9.218 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -10.927 -7.233 -0.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.604 -8.465 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -10.837 -7.143 0.986 1.00 0.00 H new ATOM 1471 N HIS B 39 -3.990 -9.534 -0.560 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.198 -10.187 -1.599 1.00 0.00 C ATOM 1473 C HIS B 39 -1.876 -10.802 -1.117 1.00 0.00 C ATOM 1474 O HIS B 39 -1.580 -11.943 -1.473 1.00 0.00 O ATOM 1475 CB HIS B 39 -2.950 -9.146 -2.691 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.103 -8.800 -3.596 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -3.997 -7.954 -4.699 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.393 -9.228 -3.491 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.227 -7.900 -5.236 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.077 -8.687 -4.553 1.00 0.00 N ATOM 0 H HIS B 39 -4.297 -8.602 -0.838 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.764 -11.043 -1.965 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.612 -8.228 -2.210 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.128 -9.500 -3.313 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.159 -7.475 -5.030 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -5.799 -9.868 -2.722 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.496 -7.307 -6.097 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.057 -8.853 -4.783 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.110 -10.092 -0.277 1.00 0.00 N ATOM 1489 CA ILE B 40 0.139 -10.619 0.310 1.00 0.00 C ATOM 1490 C ILE B 40 -0.121 -11.881 1.139 1.00 0.00 C ATOM 1491 O ILE B 40 0.504 -12.919 0.918 1.00 0.00 O ATOM 1492 CB ILE B 40 0.846 -9.550 1.186 1.00 0.00 C ATOM 1493 CG1 ILE B 40 1.189 -8.309 0.340 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.134 -10.098 1.836 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.938 -7.197 1.093 1.00 0.00 C ATOM 0 H ILE B 40 -1.333 -9.141 0.016 1.00 0.00 H new ATOM 0 HA ILE B 40 0.796 -10.879 -0.520 1.00 0.00 H new ATOM 0 HB ILE B 40 0.154 -9.276 1.982 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.795 -8.623 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.264 -7.895 -0.063 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.597 -9.318 2.440 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.888 -10.950 2.470 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.828 -10.414 1.058 1.00 0.00 H new ATOM 0 HD11 ILE B 40 2.135 -6.367 0.415 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.329 -6.848 1.927 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.883 -7.587 1.472 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.051 -11.811 2.091 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.362 -12.945 2.960 1.00 0.00 C ATOM 1509 C GLU B 41 -2.071 -14.066 2.185 1.00 0.00 C ATOM 1510 O GLU B 41 -1.756 -15.238 2.368 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.169 -12.464 4.177 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.931 -13.366 5.393 1.00 0.00 C ATOM 1513 CD GLU B 41 -2.557 -12.766 6.665 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -3.777 -12.956 6.898 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -1.834 -12.095 7.444 1.00 0.00 O ATOM 0 H GLU B 41 -1.605 -10.976 2.280 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.432 -13.376 3.329 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -1.888 -11.439 4.421 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -3.231 -12.454 3.931 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -2.356 -14.352 5.206 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.860 -13.504 5.542 1.00 0.00 H new ATOM 1522 N TRP B 42 -2.941 -13.708 1.237 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.601 -14.615 0.301 1.00 0.00 C ATOM 1524 C TRP B 42 -2.616 -15.473 -0.491 1.00 0.00 C ATOM 1525 O TRP B 42 -2.816 -16.689 -0.557 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.499 -13.793 -0.637 1.00 0.00 C ATOM 1527 CG TRP B 42 -5.880 -13.492 -0.152 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.391 -13.803 1.061 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -6.960 -12.843 -0.889 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.722 -13.434 1.108 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.135 -12.863 -0.080 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.061 -12.234 -2.158 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.359 -12.342 -0.528 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.272 -11.670 -2.600 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.424 -11.737 -1.796 1.00 0.00 C ATOM 0 H TRP B 42 -3.215 -12.736 1.097 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.205 -15.316 0.877 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -3.998 -12.848 -0.845 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.580 -14.326 -1.584 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.844 -14.268 1.868 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.325 -13.567 1.920 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.194 -12.200 -2.801 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.240 -12.405 0.093 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.317 -11.183 -3.563 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.357 -11.325 -2.152 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.545 -14.897 -1.056 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.575 -15.712 -1.796 1.00 0.00 C ATOM 1548 C LEU B 43 0.326 -16.548 -0.864 1.00 0.00 C ATOM 1549 O LEU B 43 0.721 -17.659 -1.219 1.00 0.00 O ATOM 1550 CB LEU B 43 0.153 -14.874 -2.855 1.00 0.00 C ATOM 1551 CG LEU B 43 1.388 -14.138 -2.333 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.664 -14.943 -2.569 1.00 0.00 C ATOM 1553 CD2 LEU B 43 1.541 -12.803 -3.043 1.00 0.00 C ATOM 0 H LEU B 43 -1.333 -13.900 -1.017 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.114 -16.471 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.453 -15.526 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.544 -14.144 -3.267 1.00 0.00 H new ATOM 0 HG LEU B 43 1.245 -13.994 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.520 -14.388 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.591 -15.900 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.793 -15.116 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU B 43 2.423 -12.288 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.652 -12.971 -4.114 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.657 -12.191 -2.861 1.00 0.00 H new ATOM 1565 N GLU B 44 0.615 -16.054 0.345 1.00 0.00 N ATOM 1566 CA GLU B 44 1.430 -16.764 1.337 1.00 0.00 C ATOM 1567 C GLU B 44 0.695 -17.959 1.976 1.00 0.00 C ATOM 1568 O GLU B 44 1.303 -19.018 2.137 1.00 0.00 O ATOM 1569 CB GLU B 44 1.925 -15.770 2.402 1.00 0.00 C ATOM 1570 CG GLU B 44 3.031 -16.373 3.277 1.00 0.00 C ATOM 1571 CD GLU B 44 3.583 -15.340 4.276 1.00 0.00 C ATOM 1572 OE1 GLU B 44 2.976 -15.153 5.360 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.641 -14.722 4.000 1.00 0.00 O ATOM 0 H GLU B 44 0.287 -15.143 0.665 1.00 0.00 H new ATOM 0 HA GLU B 44 2.287 -17.192 0.818 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.299 -14.870 1.913 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.089 -15.466 3.032 1.00 0.00 H new ATOM 0 HG2 GLU B 44 2.639 -17.233 3.820 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.840 -16.737 2.644 1.00 0.00 H new ATOM 1580 N THR B 45 -0.609 -17.846 2.278 1.00 0.00 N ATOM 1581 CA THR B 45 -1.440 -18.913 2.886 1.00 0.00 C ATOM 1582 C THR B 45 -1.485 -20.214 2.064 1.00 0.00 C ATOM 1583 O THR B 45 -1.788 -21.280 2.605 1.00 0.00 O ATOM 1584 CB THR B 45 -2.864 -18.369 3.150 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.817 -17.403 4.181 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.913 -19.388 3.602 1.00 0.00 C ATOM 0 H THR B 45 -1.134 -16.989 2.103 1.00 0.00 H new ATOM 0 HA THR B 45 -0.966 -19.189 3.828 1.00 0.00 H new ATOM 0 HB THR B 45 -3.170 -17.988 2.176 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.481 -16.556 3.821 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.868 -18.884 3.754 1.00 0.00 H new ATOM 0 HG22 THR B 45 -4.026 -20.157 2.838 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.593 -19.849 4.537 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.139 -20.168 0.773 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.047 -21.351 -0.097 1.00 0.00 C ATOM 1596 C ILE B 46 0.120 -22.283 0.308 1.00 0.00 C ATOM 1597 O ILE B 46 -0.025 -23.505 0.251 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.918 -20.915 -1.581 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -1.953 -19.829 -1.975 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.077 -22.139 -2.496 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -1.907 -19.367 -3.440 1.00 0.00 C ATOM 0 H ILE B 46 -0.911 -19.297 0.294 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.966 -21.924 0.025 1.00 0.00 H new ATOM 0 HB ILE B 46 0.073 -20.477 -1.705 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.952 -20.211 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -1.803 -18.960 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -0.986 -21.829 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.301 -22.869 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.057 -22.588 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -2.671 -18.608 -3.606 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -0.925 -18.947 -3.658 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -2.092 -20.218 -4.096 1.00 0.00 H new