USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 THR OG1 : rot -122:sc= -0.298 USER MOD Set 1.2: A 6 GLN : amide:sc= -1.01 K(o=-1.3,f=-4.6!) USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= 0.718 (180deg=0.602) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0696 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 179:sc= -1.75! (180deg=-1.78!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot -50:sc= 0.186 USER MOD Single : B 4 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.344) USER MOD Single : B 6 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.4!) USER MOD Single : B 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0787 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 88:sc= 0.406 USER MOD Single : B 26 MET CE :methyl 174:sc= -2.04! (180deg=-2.19!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 0.560 -0.867 -12.246 1.00 0.00 N ATOM 32 CA THR A 3 -0.811 -0.456 -12.497 1.00 0.00 C ATOM 33 C THR A 3 -1.611 -0.443 -11.193 1.00 0.00 C ATOM 34 O THR A 3 -1.194 -1.035 -10.199 1.00 0.00 O ATOM 35 CB THR A 3 -1.396 -1.387 -13.560 1.00 0.00 C ATOM 36 OG1 THR A 3 -1.591 -2.620 -12.873 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.388 -1.728 -14.659 1.00 0.00 C ATOM 0 HA THR A 3 -0.855 0.564 -12.878 1.00 0.00 H new ATOM 0 HB THR A 3 -2.275 -0.921 -14.006 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.094 -3.331 -13.329 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.854 -2.391 -15.387 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.067 -0.812 -15.155 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.477 -2.224 -14.218 1.00 0.00 H new ATOM 45 N LYS A 4 -2.746 0.239 -11.240 1.00 0.00 N ATOM 46 CA LYS A 4 -3.621 0.316 -10.082 1.00 0.00 C ATOM 47 C LYS A 4 -4.122 -1.087 -9.734 1.00 0.00 C ATOM 48 O LYS A 4 -4.270 -1.423 -8.560 1.00 0.00 O ATOM 49 CB LYS A 4 -4.743 1.328 -10.325 1.00 0.00 C ATOM 50 CG LYS A 4 -4.418 2.674 -9.674 1.00 0.00 C ATOM 51 CD LYS A 4 -5.419 3.747 -10.104 1.00 0.00 C ATOM 52 CE LYS A 4 -5.389 3.948 -11.621 1.00 0.00 C ATOM 53 NZ LYS A 4 -5.802 5.326 -11.969 1.00 0.00 N ATOM 0 H LYS A 4 -3.080 0.743 -12.061 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.074 0.684 -9.214 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.889 1.464 -11.397 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.679 0.942 -9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.434 2.571 -8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.409 2.981 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.423 3.459 -9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.187 4.687 -9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.385 3.756 -11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.053 3.230 -12.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.973 5.389 -12.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.675 5.567 -11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.049 5.992 -11.702 1.00 0.00 H new ATOM 67 N ASP A 5 -4.371 -1.867 -10.775 1.00 0.00 N ATOM 68 CA ASP A 5 -4.880 -3.216 -10.595 1.00 0.00 C ATOM 69 C ASP A 5 -3.894 -4.020 -9.745 1.00 0.00 C ATOM 70 O ASP A 5 -4.297 -4.740 -8.833 1.00 0.00 O ATOM 71 CB ASP A 5 -5.038 -3.930 -11.939 1.00 0.00 C ATOM 72 CG ASP A 5 -6.312 -3.582 -12.710 1.00 0.00 C ATOM 73 OD1 ASP A 5 -7.080 -2.744 -12.189 1.00 0.00 O ATOM 74 OD2 ASP A 5 -6.490 -4.162 -13.803 1.00 0.00 O ATOM 0 H ASP A 5 -4.230 -1.591 -11.747 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.852 -3.147 -10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.177 -3.692 -12.563 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.018 -5.006 -11.766 1.00 0.00 H new ATOM 79 N GLN A 6 -2.619 -3.870 -10.074 1.00 0.00 N ATOM 80 CA GLN A 6 -1.573 -4.578 -9.357 1.00 0.00 C ATOM 81 C GLN A 6 -1.686 -4.313 -7.855 1.00 0.00 C ATOM 82 O GLN A 6 -1.309 -5.156 -7.042 1.00 0.00 O ATOM 83 CB GLN A 6 -0.189 -4.187 -9.880 1.00 0.00 C ATOM 84 CG GLN A 6 0.375 -5.269 -10.803 1.00 0.00 C ATOM 85 CD GLN A 6 -0.689 -5.759 -11.787 1.00 0.00 C ATOM 86 OE1 GLN A 6 -1.442 -4.990 -12.361 1.00 0.00 O ATOM 87 NE2 GLN A 6 -0.710 -7.079 -11.948 1.00 0.00 N ATOM 0 H GLN A 6 -2.287 -3.268 -10.828 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.702 -5.647 -9.528 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.254 -3.242 -10.419 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.489 -4.030 -9.041 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.229 -4.874 -11.353 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.738 -6.107 -10.208 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.051 -7.666 -11.436 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.385 -7.505 -12.583 1.00 0.00 H new ATOM 96 N ILE A 7 -2.207 -3.139 -7.530 1.00 0.00 N ATOM 97 CA ILE A 7 -2.327 -2.731 -6.141 1.00 0.00 C ATOM 98 C ILE A 7 -3.545 -3.413 -5.516 1.00 0.00 C ATOM 99 O ILE A 7 -3.563 -3.684 -4.317 1.00 0.00 O ATOM 100 CB ILE A 7 -2.352 -1.205 -6.031 1.00 0.00 C ATOM 101 CG1 ILE A 7 -1.144 -0.585 -6.737 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.452 -0.762 -4.570 1.00 0.00 C ATOM 103 CD1 ILE A 7 0.155 -1.265 -6.301 1.00 0.00 C ATOM 0 H ILE A 7 -2.551 -2.457 -8.206 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.455 -3.054 -5.573 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.244 -0.840 -6.539 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.262 -0.678 -7.817 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.094 0.480 -6.512 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.468 0.327 -4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.368 -1.159 -4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.592 -1.138 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.998 -0.805 -6.818 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.283 -1.150 -5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.112 -2.325 -6.550 1.00 0.00 H new ATOM 115 N ILE A 8 -4.536 -3.670 -6.358 1.00 0.00 N ATOM 116 CA ILE A 8 -5.748 -4.333 -5.908 1.00 0.00 C ATOM 117 C ILE A 8 -5.395 -5.721 -5.370 1.00 0.00 C ATOM 118 O ILE A 8 -5.836 -6.102 -4.287 1.00 0.00 O ATOM 119 CB ILE A 8 -6.794 -4.353 -7.024 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.080 -2.939 -7.533 1.00 0.00 C ATOM 121 CG2 ILE A 8 -8.068 -5.067 -6.568 1.00 0.00 C ATOM 122 CD1 ILE A 8 -7.610 -2.048 -6.408 1.00 0.00 C ATOM 0 H ILE A 8 -4.524 -3.431 -7.349 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.203 -3.779 -5.087 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.389 -4.921 -7.862 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.169 -2.506 -7.946 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.809 -2.981 -8.343 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.795 -5.067 -7.380 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.831 -6.095 -6.293 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.487 -4.548 -5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.805 -1.049 -6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.534 -2.471 -6.014 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.869 -1.989 -5.611 1.00 0.00 H new ATOM 134 N GLU A 9 -4.603 -6.440 -6.152 1.00 0.00 N ATOM 135 CA GLU A 9 -4.197 -7.783 -5.775 1.00 0.00 C ATOM 136 C GLU A 9 -3.207 -7.731 -4.609 1.00 0.00 C ATOM 137 O GLU A 9 -2.984 -8.735 -3.934 1.00 0.00 O ATOM 138 CB GLU A 9 -3.600 -8.531 -6.968 1.00 0.00 C ATOM 139 CG GLU A 9 -4.605 -8.620 -8.118 1.00 0.00 C ATOM 140 CD GLU A 9 -4.365 -9.875 -8.960 1.00 0.00 C ATOM 141 OE1 GLU A 9 -3.374 -9.866 -9.722 1.00 0.00 O ATOM 142 OE2 GLU A 9 -5.177 -10.815 -8.823 1.00 0.00 O ATOM 0 H GLU A 9 -4.232 -6.117 -7.046 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.082 -8.331 -5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.698 -8.021 -7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.303 -9.534 -6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.619 -8.634 -7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.522 -7.734 -8.748 1.00 0.00 H new ATOM 149 N ALA A 10 -2.640 -6.550 -4.408 1.00 0.00 N ATOM 150 CA ALA A 10 -1.650 -6.364 -3.362 1.00 0.00 C ATOM 151 C ALA A 10 -2.353 -6.314 -2.003 1.00 0.00 C ATOM 152 O ALA A 10 -1.786 -6.724 -0.992 1.00 0.00 O ATOM 153 CB ALA A 10 -0.839 -5.097 -3.645 1.00 0.00 C ATOM 0 H ALA A 10 -2.848 -5.713 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.952 -7.201 -3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.096 -4.958 -2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.336 -5.194 -4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.507 -4.236 -3.670 1.00 0.00 H new ATOM 159 N VAL A 11 -3.577 -5.808 -2.025 1.00 0.00 N ATOM 160 CA VAL A 11 -4.364 -5.703 -0.808 1.00 0.00 C ATOM 161 C VAL A 11 -5.060 -7.038 -0.538 1.00 0.00 C ATOM 162 O VAL A 11 -5.369 -7.361 0.608 1.00 0.00 O ATOM 163 CB VAL A 11 -5.342 -4.531 -0.917 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.434 -4.626 0.150 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.606 -3.192 -0.831 1.00 0.00 C ATOM 0 H VAL A 11 -4.043 -5.466 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.720 -5.494 0.046 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.823 -4.587 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.115 -3.781 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.988 -5.556 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.978 -4.609 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.324 -2.376 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.085 -3.124 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.884 -3.121 -1.644 1.00 0.00 H new ATOM 175 N ALA A 12 -5.286 -7.779 -1.614 1.00 0.00 N ATOM 176 CA ALA A 12 -5.932 -9.076 -1.506 1.00 0.00 C ATOM 177 C ALA A 12 -4.864 -10.162 -1.362 1.00 0.00 C ATOM 178 O ALA A 12 -5.157 -11.348 -1.506 1.00 0.00 O ATOM 179 CB ALA A 12 -6.831 -9.301 -2.723 1.00 0.00 C ATOM 0 H ALA A 12 -5.033 -7.506 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.566 -9.117 -0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.316 -10.274 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.590 -8.520 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.229 -9.270 -3.631 1.00 0.00 H new ATOM 185 N ALA A 13 -3.648 -9.718 -1.080 1.00 0.00 N ATOM 186 CA ALA A 13 -2.534 -10.637 -0.919 1.00 0.00 C ATOM 187 C ALA A 13 -2.127 -10.684 0.555 1.00 0.00 C ATOM 188 O ALA A 13 -1.615 -11.697 1.030 1.00 0.00 O ATOM 189 CB ALA A 13 -1.381 -10.208 -1.828 1.00 0.00 C ATOM 0 H ALA A 13 -3.410 -8.734 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.823 -11.645 -1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.546 -10.898 -1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.713 -10.219 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.062 -9.201 -1.560 1.00 0.00 H new ATOM 195 N MET A 14 -2.371 -9.576 1.239 1.00 0.00 N ATOM 196 CA MET A 14 -1.993 -9.461 2.637 1.00 0.00 C ATOM 197 C MET A 14 -3.160 -9.833 3.554 1.00 0.00 C ATOM 198 O MET A 14 -4.294 -9.966 3.097 1.00 0.00 O ATOM 199 CB MET A 14 -1.551 -8.025 2.931 1.00 0.00 C ATOM 200 CG MET A 14 -0.384 -7.616 2.031 1.00 0.00 C ATOM 201 SD MET A 14 -0.007 -5.887 2.268 1.00 0.00 S ATOM 202 CE MET A 14 1.184 -5.647 0.960 1.00 0.00 C ATOM 0 H MET A 14 -2.826 -8.750 0.851 1.00 0.00 H new ATOM 0 HA MET A 14 -1.171 -10.150 2.828 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.389 -7.344 2.778 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.256 -7.938 3.977 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.492 -8.222 2.260 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.637 -7.802 0.987 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.526 -4.612 0.965 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.034 -6.311 1.116 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.720 -5.871 -0.000 1.00 0.00 H new ATOM 212 N SER A 15 -2.841 -9.992 4.830 1.00 0.00 N ATOM 213 CA SER A 15 -3.847 -10.357 5.813 1.00 0.00 C ATOM 214 C SER A 15 -4.796 -9.181 6.053 1.00 0.00 C ATOM 215 O SER A 15 -4.462 -8.037 5.747 1.00 0.00 O ATOM 216 CB SER A 15 -3.199 -10.793 7.128 1.00 0.00 C ATOM 217 OG SER A 15 -1.902 -10.230 7.297 1.00 0.00 O ATOM 0 H SER A 15 -1.900 -9.875 5.206 1.00 0.00 H new ATOM 0 HA SER A 15 -4.416 -11.201 5.422 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.835 -10.495 7.962 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.128 -11.880 7.154 1.00 0.00 H new ATOM 0 HG SER A 15 -1.523 -10.531 8.149 1.00 0.00 H new ATOM 223 N VAL A 16 -5.960 -9.502 6.597 1.00 0.00 N ATOM 224 CA VAL A 16 -6.962 -8.487 6.874 1.00 0.00 C ATOM 225 C VAL A 16 -6.365 -7.427 7.802 1.00 0.00 C ATOM 226 O VAL A 16 -6.548 -6.231 7.582 1.00 0.00 O ATOM 227 CB VAL A 16 -8.223 -9.139 7.445 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.200 -8.082 7.965 1.00 0.00 C ATOM 229 CG2 VAL A 16 -8.893 -10.040 6.405 1.00 0.00 C ATOM 0 H VAL A 16 -6.232 -10.451 6.854 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.260 -7.984 5.954 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.925 -9.763 8.288 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.087 -8.572 8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.721 -7.500 8.752 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.488 -7.420 7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.787 -10.491 6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.170 -9.446 5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.200 -10.825 6.103 1.00 0.00 H new ATOM 239 N MET A 17 -5.664 -7.905 8.820 1.00 0.00 N ATOM 240 CA MET A 17 -5.061 -7.014 9.797 1.00 0.00 C ATOM 241 C MET A 17 -4.144 -5.995 9.116 1.00 0.00 C ATOM 242 O MET A 17 -4.188 -4.807 9.433 1.00 0.00 O ATOM 243 CB MET A 17 -4.254 -7.833 10.806 1.00 0.00 C ATOM 244 CG MET A 17 -5.105 -8.193 12.025 1.00 0.00 C ATOM 245 SD MET A 17 -5.267 -6.775 13.097 1.00 0.00 S ATOM 246 CE MET A 17 -5.905 -7.567 14.564 1.00 0.00 C ATOM 0 H MET A 17 -5.500 -8.897 8.989 1.00 0.00 H new ATOM 0 HA MET A 17 -5.857 -6.474 10.309 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.889 -8.744 10.331 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.379 -7.266 11.123 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.090 -8.531 11.704 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.646 -9.019 12.568 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.065 -6.819 15.341 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.851 -8.057 14.331 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.189 -8.310 14.917 1.00 0.00 H new ATOM 256 N ASP A 18 -3.336 -6.497 8.195 1.00 0.00 N ATOM 257 CA ASP A 18 -2.390 -5.650 7.487 1.00 0.00 C ATOM 258 C ASP A 18 -3.155 -4.573 6.715 1.00 0.00 C ATOM 259 O ASP A 18 -2.644 -3.474 6.505 1.00 0.00 O ATOM 260 CB ASP A 18 -1.571 -6.461 6.481 1.00 0.00 C ATOM 261 CG ASP A 18 -0.532 -5.657 5.697 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.963 -4.808 4.888 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.671 -5.910 5.924 1.00 0.00 O ATOM 0 H ASP A 18 -3.316 -7.480 7.922 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.720 -5.205 8.222 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.061 -7.264 7.013 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.254 -6.931 5.774 1.00 0.00 H new ATOM 268 N VAL A 19 -4.367 -4.926 6.314 1.00 0.00 N ATOM 269 CA VAL A 19 -5.192 -4.018 5.535 1.00 0.00 C ATOM 270 C VAL A 19 -5.852 -3.004 6.472 1.00 0.00 C ATOM 271 O VAL A 19 -6.094 -1.862 6.085 1.00 0.00 O ATOM 272 CB VAL A 19 -6.203 -4.811 4.705 1.00 0.00 C ATOM 273 CG1 VAL A 19 -7.194 -3.876 4.009 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.494 -5.711 3.691 1.00 0.00 C ATOM 0 H VAL A 19 -4.798 -5.829 6.514 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.580 -3.457 4.828 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.766 -5.451 5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.902 -4.465 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.734 -3.296 4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.653 -3.200 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.235 -6.264 3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.894 -5.099 3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.847 -6.413 4.217 1.00 0.00 H new ATOM 284 N VAL A 20 -6.123 -3.458 7.687 1.00 0.00 N ATOM 285 CA VAL A 20 -6.711 -2.593 8.695 1.00 0.00 C ATOM 286 C VAL A 20 -5.718 -1.484 9.050 1.00 0.00 C ATOM 287 O VAL A 20 -6.057 -0.302 8.999 1.00 0.00 O ATOM 288 CB VAL A 20 -7.142 -3.420 9.908 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.365 -2.526 11.129 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.394 -4.242 9.593 1.00 0.00 C ATOM 0 H VAL A 20 -5.946 -4.414 7.996 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.611 -2.114 8.309 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.336 -4.115 10.145 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.671 -3.138 11.977 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.439 -2.005 11.372 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.144 -1.797 10.908 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.680 -4.821 10.471 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.209 -3.573 9.319 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.186 -4.919 8.764 1.00 0.00 H new ATOM 300 N GLU A 21 -4.512 -1.903 9.403 1.00 0.00 N ATOM 301 CA GLU A 21 -3.464 -0.960 9.753 1.00 0.00 C ATOM 302 C GLU A 21 -3.234 0.028 8.607 1.00 0.00 C ATOM 303 O GLU A 21 -3.137 1.233 8.832 1.00 0.00 O ATOM 304 CB GLU A 21 -2.169 -1.689 10.116 1.00 0.00 C ATOM 305 CG GLU A 21 -2.232 -2.243 11.541 1.00 0.00 C ATOM 306 CD GLU A 21 -2.133 -1.117 12.572 1.00 0.00 C ATOM 307 OE1 GLU A 21 -1.282 -0.227 12.360 1.00 0.00 O ATOM 308 OE2 GLU A 21 -2.912 -1.171 13.548 1.00 0.00 O ATOM 0 H GLU A 21 -4.237 -2.884 9.454 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.785 -0.400 10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.997 -2.504 9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.325 -1.005 10.025 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.165 -2.789 11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.420 -2.954 11.695 1.00 0.00 H new ATOM 315 N LEU A 22 -3.154 -0.520 7.403 1.00 0.00 N ATOM 316 CA LEU A 22 -2.957 0.299 6.220 1.00 0.00 C ATOM 317 C LEU A 22 -4.038 1.380 6.167 1.00 0.00 C ATOM 318 O LEU A 22 -3.740 2.568 6.286 1.00 0.00 O ATOM 319 CB LEU A 22 -2.900 -0.575 4.966 1.00 0.00 C ATOM 320 CG LEU A 22 -2.587 0.150 3.656 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.077 0.230 3.420 1.00 0.00 C ATOM 322 CD2 LEU A 22 -3.316 -0.502 2.479 1.00 0.00 C ATOM 0 H LEU A 22 -3.222 -1.521 7.222 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.996 0.811 6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.146 -1.347 5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.859 -1.082 4.857 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.956 1.173 3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.882 0.750 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.609 0.774 4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.663 -0.777 3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.076 0.033 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.001 -1.541 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.392 -0.463 2.651 1.00 0.00 H new ATOM 334 N ILE A 23 -5.272 0.930 5.988 1.00 0.00 N ATOM 335 CA ILE A 23 -6.395 1.846 5.887 1.00 0.00 C ATOM 336 C ILE A 23 -6.301 2.887 7.004 1.00 0.00 C ATOM 337 O ILE A 23 -6.487 4.079 6.764 1.00 0.00 O ATOM 338 CB ILE A 23 -7.716 1.074 5.875 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.935 0.383 4.527 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.887 1.986 6.248 1.00 0.00 C ATOM 341 CD1 ILE A 23 -9.058 -0.652 4.618 1.00 0.00 C ATOM 0 H ILE A 23 -5.518 -0.057 5.910 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.361 2.388 4.942 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.662 0.292 6.633 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.181 1.126 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.013 -0.103 4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.814 1.413 6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.728 2.392 7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.954 2.804 5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.193 -1.128 3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.798 -1.407 5.360 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.984 -0.159 4.912 1.00 0.00 H new ATOM 353 N SER A 24 -6.013 2.399 8.201 1.00 0.00 N ATOM 354 CA SER A 24 -5.946 3.265 9.366 1.00 0.00 C ATOM 355 C SER A 24 -4.866 4.330 9.165 1.00 0.00 C ATOM 356 O SER A 24 -5.044 5.481 9.561 1.00 0.00 O ATOM 357 CB SER A 24 -5.666 2.459 10.636 1.00 0.00 C ATOM 358 OG SER A 24 -6.866 2.002 11.254 1.00 0.00 O ATOM 0 H SER A 24 -5.823 1.415 8.390 1.00 0.00 H new ATOM 0 HA SER A 24 -6.913 3.754 9.484 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.036 1.604 10.391 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.107 3.075 11.341 1.00 0.00 H new ATOM 0 HG SER A 24 -6.645 1.490 12.060 1.00 0.00 H new ATOM 364 N ALA A 25 -3.771 3.909 8.551 1.00 0.00 N ATOM 365 CA ALA A 25 -2.654 4.806 8.312 1.00 0.00 C ATOM 366 C ALA A 25 -3.129 5.992 7.470 1.00 0.00 C ATOM 367 O ALA A 25 -3.158 7.125 7.948 1.00 0.00 O ATOM 368 CB ALA A 25 -1.514 4.036 7.643 1.00 0.00 C ATOM 0 H ALA A 25 -3.633 2.957 8.211 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.272 5.201 9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.676 4.710 7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.193 3.223 8.294 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.860 3.626 6.694 1.00 0.00 H new ATOM 374 N MET A 26 -3.490 5.691 6.231 1.00 0.00 N ATOM 375 CA MET A 26 -3.916 6.725 5.303 1.00 0.00 C ATOM 376 C MET A 26 -4.955 7.645 5.946 1.00 0.00 C ATOM 377 O MET A 26 -4.925 8.858 5.743 1.00 0.00 O ATOM 378 CB MET A 26 -4.513 6.075 4.054 1.00 0.00 C ATOM 379 CG MET A 26 -3.429 5.386 3.222 1.00 0.00 C ATOM 380 SD MET A 26 -4.148 4.668 1.755 1.00 0.00 S ATOM 381 CE MET A 26 -2.854 3.525 1.302 1.00 0.00 C ATOM 0 H MET A 26 -3.496 4.746 5.848 1.00 0.00 H new ATOM 0 HA MET A 26 -3.047 7.324 5.032 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.270 5.347 4.345 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.014 6.832 3.450 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.659 6.106 2.944 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.942 4.612 3.814 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.150 2.976 0.408 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.935 4.076 1.102 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.685 2.824 2.119 1.00 0.00 H new ATOM 391 N GLU A 27 -5.849 7.034 6.709 1.00 0.00 N ATOM 392 CA GLU A 27 -6.899 7.783 7.378 1.00 0.00 C ATOM 393 C GLU A 27 -6.299 8.939 8.179 1.00 0.00 C ATOM 394 O GLU A 27 -6.766 10.073 8.084 1.00 0.00 O ATOM 395 CB GLU A 27 -7.737 6.870 8.276 1.00 0.00 C ATOM 396 CG GLU A 27 -8.882 6.228 7.490 1.00 0.00 C ATOM 397 CD GLU A 27 -9.814 5.447 8.418 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.115 5.987 9.505 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.204 4.328 8.021 1.00 0.00 O ATOM 0 H GLU A 27 -5.868 6.028 6.879 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.562 8.199 6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.103 6.092 8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.141 7.445 9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.447 7.000 6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.476 5.560 6.730 1.00 0.00 H new ATOM 406 N GLU A 28 -5.272 8.613 8.950 1.00 0.00 N ATOM 407 CA GLU A 28 -4.627 9.603 9.796 1.00 0.00 C ATOM 408 C GLU A 28 -3.687 10.479 8.965 1.00 0.00 C ATOM 409 O GLU A 28 -3.684 11.701 9.108 1.00 0.00 O ATOM 410 CB GLU A 28 -3.876 8.933 10.949 1.00 0.00 C ATOM 411 CG GLU A 28 -3.587 9.934 12.069 1.00 0.00 C ATOM 412 CD GLU A 28 -2.289 9.581 12.798 1.00 0.00 C ATOM 413 OE1 GLU A 28 -1.220 9.779 12.181 1.00 0.00 O ATOM 414 OE2 GLU A 28 -2.395 9.121 13.955 1.00 0.00 O ATOM 0 H GLU A 28 -4.870 7.677 9.007 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.398 10.240 10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.467 8.105 11.340 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.940 8.512 10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.513 10.939 11.653 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.416 9.942 12.777 1.00 0.00 H new ATOM 421 N LYS A 29 -2.912 9.821 8.116 1.00 0.00 N ATOM 422 CA LYS A 29 -1.951 10.522 7.282 1.00 0.00 C ATOM 423 C LYS A 29 -2.662 11.650 6.531 1.00 0.00 C ATOM 424 O LYS A 29 -2.424 12.826 6.800 1.00 0.00 O ATOM 425 CB LYS A 29 -1.219 9.540 6.366 1.00 0.00 C ATOM 426 CG LYS A 29 -0.279 10.277 5.410 1.00 0.00 C ATOM 427 CD LYS A 29 1.119 10.420 6.017 1.00 0.00 C ATOM 428 CE LYS A 29 2.052 11.178 5.071 1.00 0.00 C ATOM 429 NZ LYS A 29 3.416 11.256 5.641 1.00 0.00 N ATOM 0 H LYS A 29 -2.930 8.809 7.988 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.179 10.984 7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.649 8.832 6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.944 8.961 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.216 9.735 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.684 11.263 5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.054 10.947 6.969 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.531 9.433 6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.084 10.677 4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.666 12.182 4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.037 11.774 4.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.383 11.754 6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.788 10.295 5.784 1.00 0.00 H new ATOM 443 N PHE A 30 -3.519 11.251 5.603 1.00 0.00 N ATOM 444 CA PHE A 30 -4.249 12.214 4.795 1.00 0.00 C ATOM 445 C PHE A 30 -5.378 12.861 5.599 1.00 0.00 C ATOM 446 O PHE A 30 -6.105 13.709 5.084 1.00 0.00 O ATOM 447 CB PHE A 30 -4.853 11.444 3.619 1.00 0.00 C ATOM 448 CG PHE A 30 -3.816 10.866 2.654 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.259 11.658 1.700 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.451 9.559 2.752 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.296 11.122 0.804 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.488 9.023 1.856 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.931 9.815 0.902 1.00 0.00 C ATOM 0 H PHE A 30 -3.724 10.274 5.392 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.577 13.005 4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.466 10.630 4.007 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.518 12.108 3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.549 12.696 1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.893 8.930 3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.854 11.751 0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.198 7.985 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.198 9.407 0.222 1.00 0.00 H new ATOM 463 N GLY A 31 -5.488 12.438 6.850 1.00 0.00 N ATOM 464 CA GLY A 31 -6.495 12.989 7.741 1.00 0.00 C ATOM 465 C GLY A 31 -7.851 13.091 7.039 1.00 0.00 C ATOM 466 O GLY A 31 -8.464 14.157 7.018 1.00 0.00 O ATOM 0 H GLY A 31 -4.896 11.720 7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.586 12.360 8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.183 13.976 8.082 1.00 0.00 H new ATOM 568 N THR B 3 6.122 -2.492 1.999 1.00 0.00 N ATOM 569 CA THR B 3 5.660 -2.349 3.369 1.00 0.00 C ATOM 570 C THR B 3 4.434 -1.435 3.425 1.00 0.00 C ATOM 571 O THR B 3 4.192 -0.657 2.504 1.00 0.00 O ATOM 572 CB THR B 3 6.832 -1.846 4.214 1.00 0.00 C ATOM 573 OG1 THR B 3 7.362 -0.759 3.460 1.00 0.00 O ATOM 574 CG2 THR B 3 7.983 -2.852 4.276 1.00 0.00 C ATOM 0 HA THR B 3 5.333 -3.305 3.778 1.00 0.00 H new ATOM 0 HB THR B 3 6.484 -1.629 5.224 1.00 0.00 H new ATOM 0 HG1 THR B 3 7.499 -1.041 2.531 1.00 0.00 H new ATOM 0 HG21 THR B 3 8.789 -2.446 4.888 1.00 0.00 H new ATOM 0 HG22 THR B 3 7.628 -3.784 4.716 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.353 -3.044 3.269 1.00 0.00 H new ATOM 582 N LYS B 4 3.692 -1.560 4.516 1.00 0.00 N ATOM 583 CA LYS B 4 2.488 -0.767 4.697 1.00 0.00 C ATOM 584 C LYS B 4 2.829 0.715 4.527 1.00 0.00 C ATOM 585 O LYS B 4 2.125 1.441 3.827 1.00 0.00 O ATOM 586 CB LYS B 4 1.827 -1.095 6.038 1.00 0.00 C ATOM 587 CG LYS B 4 0.946 -2.341 5.924 1.00 0.00 C ATOM 588 CD LYS B 4 0.396 -2.750 7.292 1.00 0.00 C ATOM 589 CE LYS B 4 1.500 -3.337 8.173 1.00 0.00 C ATOM 590 NZ LYS B 4 1.927 -2.352 9.193 1.00 0.00 N ATOM 0 H LYS B 4 3.902 -2.199 5.283 1.00 0.00 H new ATOM 0 HA LYS B 4 1.750 -1.015 3.934 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.594 -1.255 6.796 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.225 -0.248 6.368 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.120 -2.146 5.240 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.524 -3.162 5.500 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -0.045 -1.883 7.785 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -0.400 -3.483 7.163 1.00 0.00 H new ATOM 0 HE2 LYS B 4 1.141 -4.243 8.661 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.352 -3.624 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.924 -2.517 9.439 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.819 -1.390 8.813 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 1.338 -2.456 10.044 1.00 0.00 H new ATOM 604 N ASP B 5 3.910 1.120 5.178 1.00 0.00 N ATOM 605 CA ASP B 5 4.329 2.510 5.139 1.00 0.00 C ATOM 606 C ASP B 5 4.631 2.908 3.693 1.00 0.00 C ATOM 607 O ASP B 5 4.154 3.936 3.216 1.00 0.00 O ATOM 608 CB ASP B 5 5.600 2.725 5.964 1.00 0.00 C ATOM 609 CG ASP B 5 5.378 2.860 7.471 1.00 0.00 C ATOM 610 OD1 ASP B 5 4.376 3.509 7.841 1.00 0.00 O ATOM 611 OD2 ASP B 5 6.215 2.312 8.220 1.00 0.00 O ATOM 0 H ASP B 5 4.508 0.510 5.735 1.00 0.00 H new ATOM 0 HA ASP B 5 3.523 3.117 5.552 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.277 1.889 5.785 1.00 0.00 H new ATOM 0 HB3 ASP B 5 6.101 3.624 5.604 1.00 0.00 H new ATOM 616 N GLN B 6 5.422 2.072 3.036 1.00 0.00 N ATOM 617 CA GLN B 6 5.836 2.350 1.671 1.00 0.00 C ATOM 618 C GLN B 6 4.618 2.670 0.802 1.00 0.00 C ATOM 619 O GLN B 6 4.727 3.405 -0.178 1.00 0.00 O ATOM 620 CB GLN B 6 6.632 1.180 1.091 1.00 0.00 C ATOM 621 CG GLN B 6 8.112 1.284 1.464 1.00 0.00 C ATOM 622 CD GLN B 6 8.819 2.341 0.614 1.00 0.00 C ATOM 623 OE1 GLN B 6 8.409 2.664 -0.489 1.00 0.00 O ATOM 624 NE2 GLN B 6 9.902 2.860 1.186 1.00 0.00 N ATOM 0 H GLN B 6 5.787 1.202 3.424 1.00 0.00 H new ATOM 0 HA GLN B 6 6.490 3.222 1.680 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.225 0.239 1.462 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.527 1.167 0.006 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.208 1.538 2.520 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.595 0.317 1.324 1.00 0.00 H new ATOM 0 HE21 GLN B 6 10.190 2.545 2.112 1.00 0.00 H new ATOM 0 HE22 GLN B 6 10.444 3.573 0.698 1.00 0.00 H new ATOM 633 N ILE B 7 3.487 2.103 1.193 1.00 0.00 N ATOM 634 CA ILE B 7 2.267 2.253 0.418 1.00 0.00 C ATOM 635 C ILE B 7 1.634 3.610 0.730 1.00 0.00 C ATOM 636 O ILE B 7 1.029 4.233 -0.142 1.00 0.00 O ATOM 637 CB ILE B 7 1.330 1.067 0.657 1.00 0.00 C ATOM 638 CG1 ILE B 7 1.938 -0.229 0.117 1.00 0.00 C ATOM 639 CG2 ILE B 7 -0.057 1.338 0.071 1.00 0.00 C ATOM 640 CD1 ILE B 7 1.352 -1.448 0.832 1.00 0.00 C ATOM 0 H ILE B 7 3.389 1.538 2.037 1.00 0.00 H new ATOM 0 HA ILE B 7 2.490 2.242 -0.649 1.00 0.00 H new ATOM 0 HB ILE B 7 1.206 0.940 1.732 1.00 0.00 H new ATOM 0 HG12 ILE B 7 1.749 -0.305 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE B 7 3.020 -0.210 0.249 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.703 0.480 0.254 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.485 2.222 0.543 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.028 1.505 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE B 7 1.801 -2.356 0.430 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.564 -1.381 1.899 1.00 0.00 H new ATOM 0 HD13 ILE B 7 0.273 -1.477 0.677 1.00 0.00 H new ATOM 652 N ILE B 8 1.794 4.029 1.977 1.00 0.00 N ATOM 653 CA ILE B 8 1.253 5.306 2.413 1.00 0.00 C ATOM 654 C ILE B 8 1.818 6.421 1.531 1.00 0.00 C ATOM 655 O ILE B 8 1.087 7.321 1.119 1.00 0.00 O ATOM 656 CB ILE B 8 1.510 5.514 3.907 1.00 0.00 C ATOM 657 CG1 ILE B 8 1.034 4.307 4.718 1.00 0.00 C ATOM 658 CG2 ILE B 8 0.876 6.818 4.395 1.00 0.00 C ATOM 659 CD1 ILE B 8 -0.404 3.932 4.352 1.00 0.00 C ATOM 0 H ILE B 8 2.290 3.507 2.699 1.00 0.00 H new ATOM 0 HA ILE B 8 0.170 5.322 2.294 1.00 0.00 H new ATOM 0 HB ILE B 8 2.586 5.601 4.060 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.693 3.458 4.534 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.095 4.533 5.783 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.073 6.942 5.460 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.303 7.658 3.847 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -0.200 6.784 4.227 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.717 3.071 4.943 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.064 4.774 4.560 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.457 3.683 3.292 1.00 0.00 H new ATOM 671 N GLU B 9 3.112 6.326 1.267 1.00 0.00 N ATOM 672 CA GLU B 9 3.786 7.323 0.452 1.00 0.00 C ATOM 673 C GLU B 9 3.452 7.113 -1.026 1.00 0.00 C ATOM 674 O GLU B 9 3.628 8.018 -1.841 1.00 0.00 O ATOM 675 CB GLU B 9 5.298 7.289 0.683 1.00 0.00 C ATOM 676 CG GLU B 9 5.642 7.680 2.121 1.00 0.00 C ATOM 677 CD GLU B 9 5.807 9.195 2.254 1.00 0.00 C ATOM 678 OE1 GLU B 9 6.863 9.692 1.806 1.00 0.00 O ATOM 679 OE2 GLU B 9 4.874 9.822 2.800 1.00 0.00 O ATOM 0 H GLU B 9 3.713 5.573 1.603 1.00 0.00 H new ATOM 0 HA GLU B 9 3.429 8.309 0.749 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.679 6.290 0.473 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.791 7.970 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU B 9 4.856 7.336 2.793 1.00 0.00 H new ATOM 0 HG3 GLU B 9 6.562 7.182 2.426 1.00 0.00 H new ATOM 686 N ALA B 10 2.975 5.914 -1.329 1.00 0.00 N ATOM 687 CA ALA B 10 2.642 5.565 -2.699 1.00 0.00 C ATOM 688 C ALA B 10 1.323 6.235 -3.086 1.00 0.00 C ATOM 689 O ALA B 10 1.149 6.660 -4.227 1.00 0.00 O ATOM 690 CB ALA B 10 2.586 4.042 -2.838 1.00 0.00 C ATOM 0 H ALA B 10 2.811 5.172 -0.648 1.00 0.00 H new ATOM 0 HA ALA B 10 3.408 5.927 -3.384 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.336 3.779 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.556 3.617 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.826 3.643 -2.167 1.00 0.00 H new ATOM 696 N VAL B 11 0.426 6.310 -2.113 1.00 0.00 N ATOM 697 CA VAL B 11 -0.870 6.927 -2.335 1.00 0.00 C ATOM 698 C VAL B 11 -0.721 8.449 -2.291 1.00 0.00 C ATOM 699 O VAL B 11 -1.548 9.173 -2.842 1.00 0.00 O ATOM 700 CB VAL B 11 -1.884 6.396 -1.319 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.126 7.288 -1.266 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.262 4.946 -1.628 1.00 0.00 C ATOM 0 H VAL B 11 0.572 5.953 -1.169 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.252 6.667 -3.322 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.415 6.417 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.830 6.888 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.837 8.298 -0.975 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.597 7.314 -2.249 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.984 4.593 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.702 4.889 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.370 4.321 -1.590 1.00 0.00 H new ATOM 712 N ALA B 12 0.341 8.888 -1.631 1.00 0.00 N ATOM 713 CA ALA B 12 0.618 10.310 -1.522 1.00 0.00 C ATOM 714 C ALA B 12 1.490 10.747 -2.701 1.00 0.00 C ATOM 715 O ALA B 12 1.852 11.918 -2.809 1.00 0.00 O ATOM 716 CB ALA B 12 1.276 10.600 -0.171 1.00 0.00 C ATOM 0 H ALA B 12 1.019 8.284 -1.167 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.307 10.886 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.484 11.667 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.605 10.298 0.633 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.209 10.042 -0.093 1.00 0.00 H new ATOM 722 N ALA B 13 1.803 9.783 -3.553 1.00 0.00 N ATOM 723 CA ALA B 13 2.646 10.048 -4.707 1.00 0.00 C ATOM 724 C ALA B 13 1.768 10.209 -5.949 1.00 0.00 C ATOM 725 O ALA B 13 2.179 10.831 -6.928 1.00 0.00 O ATOM 726 CB ALA B 13 3.672 8.923 -4.859 1.00 0.00 C ATOM 0 H ALA B 13 1.488 8.817 -3.468 1.00 0.00 H new ATOM 0 HA ALA B 13 3.199 10.977 -4.573 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.304 9.122 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.290 8.871 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA B 13 3.154 7.974 -4.998 1.00 0.00 H new ATOM 732 N MET B 14 0.575 9.639 -5.869 1.00 0.00 N ATOM 733 CA MET B 14 -0.352 9.684 -6.987 1.00 0.00 C ATOM 734 C MET B 14 -1.381 10.801 -6.801 1.00 0.00 C ATOM 735 O MET B 14 -1.476 11.389 -5.725 1.00 0.00 O ATOM 736 CB MET B 14 -1.073 8.340 -7.107 1.00 0.00 C ATOM 737 CG MET B 14 -0.072 7.192 -7.257 1.00 0.00 C ATOM 738 SD MET B 14 -0.608 6.079 -8.545 1.00 0.00 S ATOM 739 CE MET B 14 -1.056 4.659 -7.561 1.00 0.00 C ATOM 0 H MET B 14 0.229 9.144 -5.047 1.00 0.00 H new ATOM 0 HA MET B 14 0.214 9.885 -7.897 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.691 8.175 -6.225 1.00 0.00 H new ATOM 0 HB3 MET B 14 -1.743 8.358 -7.967 1.00 0.00 H new ATOM 0 HG2 MET B 14 0.915 7.588 -7.495 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.020 6.653 -6.314 1.00 0.00 H new ATOM 0 HE1 MET B 14 -1.415 3.863 -8.213 1.00 0.00 H new ATOM 0 HE2 MET B 14 -0.184 4.310 -7.008 1.00 0.00 H new ATOM 0 HE3 MET B 14 -1.843 4.936 -6.860 1.00 0.00 H new ATOM 749 N SER B 15 -2.126 11.059 -7.866 1.00 0.00 N ATOM 750 CA SER B 15 -3.137 12.102 -7.837 1.00 0.00 C ATOM 751 C SER B 15 -4.364 11.620 -7.060 1.00 0.00 C ATOM 752 O SER B 15 -4.550 10.420 -6.869 1.00 0.00 O ATOM 753 CB SER B 15 -3.537 12.521 -9.253 1.00 0.00 C ATOM 754 OG SER B 15 -3.307 11.483 -10.202 1.00 0.00 O ATOM 0 H SER B 15 -2.050 10.564 -8.754 1.00 0.00 H new ATOM 0 HA SER B 15 -2.715 12.973 -7.335 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.592 12.796 -9.265 1.00 0.00 H new ATOM 0 HB3 SER B 15 -2.973 13.408 -9.542 1.00 0.00 H new ATOM 0 HG SER B 15 -3.577 11.789 -11.093 1.00 0.00 H new ATOM 760 N VAL B 16 -5.169 12.582 -6.632 1.00 0.00 N ATOM 761 CA VAL B 16 -6.376 12.271 -5.886 1.00 0.00 C ATOM 762 C VAL B 16 -7.305 11.424 -6.758 1.00 0.00 C ATOM 763 O VAL B 16 -7.848 10.420 -6.299 1.00 0.00 O ATOM 764 CB VAL B 16 -7.032 13.561 -5.390 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.349 13.265 -4.670 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.080 14.350 -4.490 1.00 0.00 C ATOM 0 H VAL B 16 -5.009 13.577 -6.788 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.137 11.683 -5.000 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.257 14.178 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.794 14.199 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.034 12.766 -5.355 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.158 12.619 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.571 15.262 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.808 13.743 -3.627 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.181 14.608 -5.049 1.00 0.00 H new ATOM 776 N MET B 17 -7.460 11.860 -7.999 1.00 0.00 N ATOM 777 CA MET B 17 -8.315 11.156 -8.939 1.00 0.00 C ATOM 778 C MET B 17 -7.871 9.700 -9.100 1.00 0.00 C ATOM 779 O MET B 17 -8.695 8.788 -9.050 1.00 0.00 O ATOM 780 CB MET B 17 -8.268 11.857 -10.298 1.00 0.00 C ATOM 781 CG MET B 17 -9.325 12.960 -10.383 1.00 0.00 C ATOM 782 SD MET B 17 -9.547 13.464 -12.081 1.00 0.00 S ATOM 783 CE MET B 17 -11.013 14.469 -11.917 1.00 0.00 C ATOM 0 H MET B 17 -7.007 12.693 -8.376 1.00 0.00 H new ATOM 0 HA MET B 17 -9.334 11.165 -8.551 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.278 12.284 -10.457 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.432 11.129 -11.093 1.00 0.00 H new ATOM 0 HG2 MET B 17 -10.270 12.602 -9.975 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.020 13.814 -9.778 1.00 0.00 H new ATOM 0 HE1 MET B 17 -11.293 14.866 -12.893 1.00 0.00 H new ATOM 0 HE2 MET B 17 -11.829 13.861 -11.525 1.00 0.00 H new ATOM 0 HE3 MET B 17 -10.814 15.294 -11.233 1.00 0.00 H new ATOM 793 N ASP B 18 -6.572 9.529 -9.290 1.00 0.00 N ATOM 794 CA ASP B 18 -6.011 8.201 -9.474 1.00 0.00 C ATOM 795 C ASP B 18 -6.313 7.349 -8.240 1.00 0.00 C ATOM 796 O ASP B 18 -6.482 6.135 -8.345 1.00 0.00 O ATOM 797 CB ASP B 18 -4.492 8.264 -9.644 1.00 0.00 C ATOM 798 CG ASP B 18 -3.781 6.909 -9.614 1.00 0.00 C ATOM 799 OD1 ASP B 18 -3.588 6.395 -8.491 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.447 6.418 -10.713 1.00 0.00 O ATOM 0 H ASP B 18 -5.891 10.288 -9.321 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.457 7.768 -10.369 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.268 8.754 -10.591 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.079 8.892 -8.854 1.00 0.00 H new ATOM 805 N VAL B 19 -6.372 8.019 -7.098 1.00 0.00 N ATOM 806 CA VAL B 19 -6.586 7.330 -5.837 1.00 0.00 C ATOM 807 C VAL B 19 -8.069 6.980 -5.697 1.00 0.00 C ATOM 808 O VAL B 19 -8.420 5.994 -5.051 1.00 0.00 O ATOM 809 CB VAL B 19 -6.061 8.181 -4.679 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.597 7.675 -3.338 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.531 8.222 -4.679 1.00 0.00 C ATOM 0 H VAL B 19 -6.275 9.031 -7.020 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.027 6.394 -5.814 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.424 9.199 -4.820 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.208 8.298 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.686 7.723 -3.340 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.279 6.644 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.183 8.833 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.140 7.210 -4.574 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.179 8.652 -5.617 1.00 0.00 H new ATOM 821 N VAL B 20 -8.900 7.809 -6.312 1.00 0.00 N ATOM 822 CA VAL B 20 -10.337 7.591 -6.278 1.00 0.00 C ATOM 823 C VAL B 20 -10.670 6.299 -7.027 1.00 0.00 C ATOM 824 O VAL B 20 -11.568 5.560 -6.627 1.00 0.00 O ATOM 825 CB VAL B 20 -11.065 8.814 -6.840 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.485 8.451 -7.280 1.00 0.00 C ATOM 827 CG2 VAL B 20 -11.081 9.957 -5.824 1.00 0.00 C ATOM 0 H VAL B 20 -8.606 8.633 -6.837 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.681 7.469 -5.251 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.518 9.156 -7.719 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.981 9.337 -7.676 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.441 7.684 -8.053 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.045 8.073 -6.425 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.604 10.814 -6.248 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.593 9.632 -4.918 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -10.057 10.241 -5.580 1.00 0.00 H new ATOM 837 N GLU B 21 -9.930 6.068 -8.101 1.00 0.00 N ATOM 838 CA GLU B 21 -10.136 4.878 -8.909 1.00 0.00 C ATOM 839 C GLU B 21 -9.759 3.626 -8.116 1.00 0.00 C ATOM 840 O GLU B 21 -10.541 2.680 -8.033 1.00 0.00 O ATOM 841 CB GLU B 21 -9.343 4.959 -10.215 1.00 0.00 C ATOM 842 CG GLU B 21 -10.014 5.913 -11.206 1.00 0.00 C ATOM 843 CD GLU B 21 -11.313 5.314 -11.749 1.00 0.00 C ATOM 844 OE1 GLU B 21 -11.207 4.372 -12.564 1.00 0.00 O ATOM 845 OE2 GLU B 21 -12.383 5.812 -11.338 1.00 0.00 O ATOM 0 H GLU B 21 -9.187 6.684 -8.431 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.193 4.816 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.328 5.299 -10.008 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.263 3.966 -10.658 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -10.225 6.863 -10.716 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.334 6.124 -12.031 1.00 0.00 H new ATOM 852 N LEU B 22 -8.560 3.660 -7.552 1.00 0.00 N ATOM 853 CA LEU B 22 -8.094 2.565 -6.717 1.00 0.00 C ATOM 854 C LEU B 22 -9.121 2.297 -5.615 1.00 0.00 C ATOM 855 O LEU B 22 -9.683 1.206 -5.537 1.00 0.00 O ATOM 856 CB LEU B 22 -6.687 2.854 -6.190 1.00 0.00 C ATOM 857 CG LEU B 22 -6.005 1.710 -5.438 1.00 0.00 C ATOM 858 CD1 LEU B 22 -5.430 0.680 -6.412 1.00 0.00 C ATOM 859 CD2 LEU B 22 -4.942 2.244 -4.475 1.00 0.00 C ATOM 0 H LEU B 22 -7.897 4.428 -7.657 1.00 0.00 H new ATOM 0 HA LEU B 22 -8.008 1.650 -7.302 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.056 3.136 -7.033 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.739 3.718 -5.527 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.757 1.200 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.951 -0.123 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -6.234 0.267 -7.022 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.695 1.161 -7.058 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.472 1.410 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -4.186 2.793 -5.036 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -5.410 2.909 -3.749 1.00 0.00 H new ATOM 871 N ILE B 23 -9.334 3.312 -4.790 1.00 0.00 N ATOM 872 CA ILE B 23 -10.266 3.192 -3.681 1.00 0.00 C ATOM 873 C ILE B 23 -11.574 2.579 -4.184 1.00 0.00 C ATOM 874 O ILE B 23 -12.180 1.755 -3.502 1.00 0.00 O ATOM 875 CB ILE B 23 -10.447 4.543 -2.985 1.00 0.00 C ATOM 876 CG1 ILE B 23 -9.242 4.869 -2.100 1.00 0.00 C ATOM 877 CG2 ILE B 23 -11.761 4.585 -2.203 1.00 0.00 C ATOM 878 CD1 ILE B 23 -9.337 6.293 -1.548 1.00 0.00 C ATOM 0 H ILE B 23 -8.877 4.221 -4.867 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.870 2.519 -2.921 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.503 5.317 -3.750 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -9.189 4.158 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -8.323 4.759 -2.676 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -11.865 5.556 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.596 4.429 -2.886 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -11.760 3.800 -1.447 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.469 6.499 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -9.365 7.003 -2.375 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -10.245 6.393 -0.953 1.00 0.00 H new ATOM 890 N SER B 24 -11.971 3.006 -5.374 1.00 0.00 N ATOM 891 CA SER B 24 -13.238 2.574 -5.939 1.00 0.00 C ATOM 892 C SER B 24 -13.172 1.088 -6.298 1.00 0.00 C ATOM 893 O SER B 24 -14.139 0.354 -6.098 1.00 0.00 O ATOM 894 CB SER B 24 -13.602 3.402 -7.173 1.00 0.00 C ATOM 895 OG SER B 24 -14.268 4.613 -6.826 1.00 0.00 O ATOM 0 H SER B 24 -11.438 3.646 -5.962 1.00 0.00 H new ATOM 0 HA SER B 24 -14.015 2.726 -5.190 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.697 3.634 -7.734 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.241 2.812 -7.830 1.00 0.00 H new ATOM 0 HG SER B 24 -13.605 5.316 -6.663 1.00 0.00 H new ATOM 901 N ALA B 25 -12.022 0.689 -6.821 1.00 0.00 N ATOM 902 CA ALA B 25 -11.817 -0.697 -7.208 1.00 0.00 C ATOM 903 C ALA B 25 -12.010 -1.596 -5.985 1.00 0.00 C ATOM 904 O ALA B 25 -12.909 -2.436 -5.963 1.00 0.00 O ATOM 905 CB ALA B 25 -10.429 -0.852 -7.833 1.00 0.00 C ATOM 0 H ALA B 25 -11.223 1.301 -6.986 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.548 -0.999 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.275 -1.891 -8.123 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.353 -0.214 -8.714 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.669 -0.561 -7.108 1.00 0.00 H new ATOM 911 N MET B 26 -11.150 -1.391 -4.998 1.00 0.00 N ATOM 912 CA MET B 26 -11.206 -2.182 -3.780 1.00 0.00 C ATOM 913 C MET B 26 -12.618 -2.184 -3.192 1.00 0.00 C ATOM 914 O MET B 26 -13.119 -3.227 -2.773 1.00 0.00 O ATOM 915 CB MET B 26 -10.226 -1.610 -2.754 1.00 0.00 C ATOM 916 CG MET B 26 -8.778 -1.883 -3.167 1.00 0.00 C ATOM 917 SD MET B 26 -7.659 -1.212 -1.949 1.00 0.00 S ATOM 918 CE MET B 26 -6.143 -1.207 -2.891 1.00 0.00 C ATOM 0 H MET B 26 -10.411 -0.689 -5.017 1.00 0.00 H new ATOM 0 HA MET B 26 -10.933 -3.209 -4.023 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.383 -0.536 -2.655 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.419 -2.052 -1.776 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.616 -2.956 -3.269 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.579 -1.436 -4.141 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.358 -0.717 -2.315 1.00 0.00 H new ATOM 0 HE2 MET B 26 -5.847 -2.233 -3.109 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.297 -0.668 -3.826 1.00 0.00 H new ATOM 928 N GLU B 27 -13.221 -1.004 -3.179 1.00 0.00 N ATOM 929 CA GLU B 27 -14.560 -0.854 -2.633 1.00 0.00 C ATOM 930 C GLU B 27 -15.497 -1.906 -3.229 1.00 0.00 C ATOM 931 O GLU B 27 -16.275 -2.529 -2.508 1.00 0.00 O ATOM 932 CB GLU B 27 -15.095 0.558 -2.877 1.00 0.00 C ATOM 933 CG GLU B 27 -14.843 1.457 -1.664 1.00 0.00 C ATOM 934 CD GLU B 27 -15.516 2.820 -1.843 1.00 0.00 C ATOM 935 OE1 GLU B 27 -16.745 2.820 -2.072 1.00 0.00 O ATOM 936 OE2 GLU B 27 -14.786 3.830 -1.745 1.00 0.00 O ATOM 0 H GLU B 27 -12.807 -0.143 -3.538 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.512 -1.008 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.615 0.986 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.164 0.515 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -15.224 0.975 -0.764 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.771 1.592 -1.524 1.00 0.00 H new ATOM 943 N GLU B 28 -15.392 -2.072 -4.539 1.00 0.00 N ATOM 944 CA GLU B 28 -16.246 -3.012 -5.246 1.00 0.00 C ATOM 945 C GLU B 28 -15.745 -4.443 -5.039 1.00 0.00 C ATOM 946 O GLU B 28 -16.525 -5.336 -4.710 1.00 0.00 O ATOM 947 CB GLU B 28 -16.325 -2.669 -6.734 1.00 0.00 C ATOM 948 CG GLU B 28 -17.547 -3.323 -7.383 1.00 0.00 C ATOM 949 CD GLU B 28 -17.136 -4.521 -8.242 1.00 0.00 C ATOM 950 OE1 GLU B 28 -16.707 -4.276 -9.390 1.00 0.00 O ATOM 951 OE2 GLU B 28 -17.260 -5.655 -7.730 1.00 0.00 O ATOM 0 H GLU B 28 -14.728 -1.571 -5.130 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.253 -2.937 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.377 -1.587 -6.859 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.418 -3.005 -7.237 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -18.244 -3.647 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.071 -2.592 -7.999 1.00 0.00 H new ATOM 958 N LYS B 29 -14.447 -4.617 -5.240 1.00 0.00 N ATOM 959 CA LYS B 29 -13.840 -5.932 -5.119 1.00 0.00 C ATOM 960 C LYS B 29 -14.196 -6.529 -3.757 1.00 0.00 C ATOM 961 O LYS B 29 -14.946 -7.501 -3.678 1.00 0.00 O ATOM 962 CB LYS B 29 -12.335 -5.853 -5.382 1.00 0.00 C ATOM 963 CG LYS B 29 -11.668 -7.211 -5.156 1.00 0.00 C ATOM 964 CD LYS B 29 -11.308 -7.873 -6.488 1.00 0.00 C ATOM 965 CE LYS B 29 -12.564 -8.338 -7.226 1.00 0.00 C ATOM 966 NZ LYS B 29 -12.215 -9.323 -8.275 1.00 0.00 N ATOM 0 H LYS B 29 -13.799 -3.869 -5.486 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.237 -6.607 -5.877 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.158 -5.522 -6.405 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.886 -5.109 -4.724 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.768 -7.083 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.338 -7.860 -4.592 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.756 -7.169 -7.111 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.651 -8.724 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -13.264 -8.783 -6.519 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.067 -7.482 -7.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -13.079 -9.628 -8.766 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.564 -8.886 -8.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.756 -10.148 -7.838 1.00 0.00 H new ATOM 980 N PHE B 30 -13.642 -5.924 -2.717 1.00 0.00 N ATOM 981 CA PHE B 30 -13.856 -6.411 -1.365 1.00 0.00 C ATOM 982 C PHE B 30 -15.258 -6.054 -0.869 1.00 0.00 C ATOM 983 O PHE B 30 -15.628 -6.391 0.255 1.00 0.00 O ATOM 984 CB PHE B 30 -12.821 -5.723 -0.473 1.00 0.00 C ATOM 985 CG PHE B 30 -11.374 -6.101 -0.792 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.837 -7.237 -0.272 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.623 -5.300 -1.596 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.493 -7.588 -0.569 1.00 0.00 C ATOM 989 CE2 PHE B 30 -9.280 -5.651 -1.893 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.743 -6.788 -1.373 1.00 0.00 C ATOM 0 H PHE B 30 -13.045 -5.100 -2.783 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.757 -7.496 -1.340 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -12.933 -4.643 -0.570 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -13.030 -5.973 0.567 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.432 -7.872 0.367 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.049 -4.397 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -9.067 -8.490 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.684 -5.016 -2.532 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.721 -7.055 -1.599 1.00 0.00 H new