USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot -76:sc= 0.801 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 1 MET CE :methyl -149:sc= -0.0589 (180deg=-1.42!) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.3 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -136:sc= 0.793 (180deg=-1.15!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0696 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 1.29 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= 1.18 (180deg=0.428) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.247 X(o=0.25,f=-0.05) USER MOD Single : A 41 GLN : amide:sc= -1.45 K(o=-1.5,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0546 K(o=0.055,f=-5.7!) USER MOD Single : A 55 THR OG1 : rot -54:sc= 1.08 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -53:sc= -0.0703 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= 1.15 (180deg=0.892) USER MOD Single : A 65 SER OG : rot 93:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0359 X(o=-0.036,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.788 31.243 16.051 1.00 0.00 N ATOM 2 CA MET A 1 13.712 31.354 17.515 1.00 0.00 C ATOM 3 C MET A 1 15.105 31.576 18.097 1.00 0.00 C ATOM 4 O MET A 1 16.118 31.464 17.406 1.00 0.00 O ATOM 5 CB MET A 1 13.119 30.120 18.179 1.00 0.00 C ATOM 6 CG MET A 1 13.843 28.767 18.143 1.00 0.00 C ATOM 7 SD MET A 1 13.062 27.571 19.251 1.00 0.00 S ATOM 8 CE MET A 1 14.382 26.333 19.286 1.00 0.00 C ATOM 0 H1 MET A 1 12.912 30.814 15.689 1.00 0.00 H new ATOM 0 H2 MET A 1 13.906 32.190 15.637 1.00 0.00 H new ATOM 0 H3 MET A 1 14.599 30.647 15.790 1.00 0.00 H new ATOM 0 HA MET A 1 13.056 32.200 17.718 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.963 30.369 19.229 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.134 29.965 17.738 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.840 28.378 17.125 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.886 28.903 18.429 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.948 25.342 19.420 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.934 26.363 18.347 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.060 26.547 20.112 1.00 0.00 H new ATOM 20 N GLN A 2 15.352 32.004 19.338 1.00 0.00 N ATOM 21 CA GLN A 2 16.618 32.405 19.901 1.00 0.00 C ATOM 22 C GLN A 2 17.154 31.230 20.729 1.00 0.00 C ATOM 23 O GLN A 2 16.525 30.441 21.442 1.00 0.00 O ATOM 24 CB GLN A 2 16.513 33.582 20.866 1.00 0.00 C ATOM 25 CG GLN A 2 15.811 34.839 20.344 1.00 0.00 C ATOM 26 CD GLN A 2 14.308 34.838 20.574 1.00 0.00 C ATOM 27 OE1 GLN A 2 13.668 34.007 21.220 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.633 35.814 19.961 1.00 0.00 N ATOM 0 H GLN A 2 14.599 32.081 20.022 1.00 0.00 H new ATOM 0 HA GLN A 2 17.256 32.696 19.066 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.987 33.244 21.759 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.521 33.859 21.176 1.00 0.00 H new ATOM 0 HG2 GLN A 2 16.244 35.714 20.829 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.006 34.937 19.276 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.134 36.518 19.418 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.617 35.856 20.036 1.00 0.00 H new ATOM 37 N ILE A 3 18.472 31.080 20.726 1.00 0.00 N ATOM 38 CA ILE A 3 19.245 30.485 21.801 1.00 0.00 C ATOM 39 C ILE A 3 20.360 31.465 22.163 1.00 0.00 C ATOM 40 O ILE A 3 20.935 32.130 21.301 1.00 0.00 O ATOM 41 CB ILE A 3 19.699 29.052 21.513 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.709 28.944 20.375 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.479 28.145 21.378 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.860 27.467 20.028 1.00 0.00 C ATOM 0 H ILE A 3 19.052 31.382 19.943 1.00 0.00 H new ATOM 0 HA ILE A 3 18.617 30.339 22.680 1.00 0.00 H new ATOM 0 HB ILE A 3 20.273 28.693 22.368 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.369 29.508 19.507 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.668 29.367 20.674 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.805 27.125 21.173 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.907 28.164 22.306 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.852 28.497 20.559 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.578 27.356 19.215 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.215 26.922 20.903 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.895 27.066 19.718 1.00 0.00 H new ATOM 56 N PHE A 4 20.640 31.511 23.457 1.00 0.00 N ATOM 57 CA PHE A 4 21.831 32.155 23.968 1.00 0.00 C ATOM 58 C PHE A 4 22.957 31.109 23.985 1.00 0.00 C ATOM 59 O PHE A 4 22.799 30.007 24.506 1.00 0.00 O ATOM 60 CB PHE A 4 21.441 32.611 25.379 1.00 0.00 C ATOM 61 CG PHE A 4 20.600 33.860 25.389 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.137 35.064 24.908 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.335 33.888 25.978 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.356 36.212 24.875 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.551 35.050 25.978 1.00 0.00 C ATOM 66 CZ PHE A 4 19.024 36.196 25.320 1.00 0.00 C ATOM 0 H PHE A 4 20.046 31.102 24.178 1.00 0.00 H new ATOM 0 HA PHE A 4 22.183 33.001 23.377 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.894 31.809 25.875 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.346 32.786 25.960 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.160 35.098 24.563 1.00 0.00 H new ATOM 0 HD2 PHE A 4 18.951 32.993 26.445 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.780 37.132 24.501 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.594 35.063 26.479 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.378 37.047 25.159 1.00 0.00 H new ATOM 76 N VAL A 5 24.182 31.417 23.569 1.00 0.00 N ATOM 77 CA VAL A 5 25.364 30.594 23.719 1.00 0.00 C ATOM 78 C VAL A 5 26.440 31.381 24.459 1.00 0.00 C ATOM 79 O VAL A 5 26.784 32.527 24.151 1.00 0.00 O ATOM 80 CB VAL A 5 25.966 29.910 22.483 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.007 28.861 22.875 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.935 29.387 21.488 1.00 0.00 C ATOM 0 H VAL A 5 24.381 32.297 23.093 1.00 0.00 H new ATOM 0 HA VAL A 5 24.988 29.741 24.284 1.00 0.00 H new ATOM 0 HB VAL A 5 26.486 30.694 21.933 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.412 28.397 21.976 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.813 29.339 23.432 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.539 28.098 23.497 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.446 28.919 20.646 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.296 28.652 21.978 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.325 30.215 21.127 1.00 0.00 H new ATOM 92 N LYS A 6 26.857 30.794 25.572 1.00 0.00 N ATOM 93 CA LYS A 6 27.749 31.397 26.544 1.00 0.00 C ATOM 94 C LYS A 6 29.127 30.905 26.109 1.00 0.00 C ATOM 95 O LYS A 6 29.395 29.712 26.267 1.00 0.00 O ATOM 96 CB LYS A 6 27.388 30.908 27.954 1.00 0.00 C ATOM 97 CG LYS A 6 28.034 31.794 29.018 1.00 0.00 C ATOM 98 CD LYS A 6 27.511 31.352 30.381 1.00 0.00 C ATOM 99 CE LYS A 6 28.066 32.170 31.546 1.00 0.00 C ATOM 100 NZ LYS A 6 29.370 31.776 32.113 1.00 0.00 N ATOM 0 H LYS A 6 26.571 29.849 25.829 1.00 0.00 H new ATOM 0 HA LYS A 6 27.695 32.485 26.582 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.305 30.913 28.079 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.719 29.878 28.082 1.00 0.00 H new ATOM 0 HG2 LYS A 6 29.120 31.706 28.980 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.793 32.842 28.839 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.423 31.424 30.384 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.762 30.302 30.534 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.145 33.207 31.218 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.331 32.145 32.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 29.618 32.418 32.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 29.312 30.802 32.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 30.100 31.830 31.375 1.00 0.00 H new ATOM 114 N THR A 7 29.874 31.847 25.543 1.00 0.00 N ATOM 115 CA THR A 7 31.278 31.677 25.232 1.00 0.00 C ATOM 116 C THR A 7 32.210 31.294 26.379 1.00 0.00 C ATOM 117 O THR A 7 31.873 31.495 27.547 1.00 0.00 O ATOM 118 CB THR A 7 31.680 32.799 24.271 1.00 0.00 C ATOM 119 OG1 THR A 7 31.909 34.007 24.973 1.00 0.00 O ATOM 120 CG2 THR A 7 30.787 33.076 23.072 1.00 0.00 C ATOM 0 H THR A 7 29.509 32.764 25.285 1.00 0.00 H new ATOM 0 HA THR A 7 31.429 30.737 24.701 1.00 0.00 H new ATOM 0 HB THR A 7 32.591 32.398 23.827 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.050 34.407 25.225 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.205 33.897 22.489 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.726 32.183 22.450 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.789 33.347 23.417 1.00 0.00 H new ATOM 128 N LEU A 8 33.375 30.758 26.019 1.00 0.00 N ATOM 129 CA LEU A 8 34.357 30.242 26.945 1.00 0.00 C ATOM 130 C LEU A 8 35.066 31.413 27.623 1.00 0.00 C ATOM 131 O LEU A 8 35.600 31.273 28.729 1.00 0.00 O ATOM 132 CB LEU A 8 35.368 29.297 26.286 1.00 0.00 C ATOM 133 CG LEU A 8 36.265 28.428 27.161 1.00 0.00 C ATOM 134 CD1 LEU A 8 37.617 28.917 27.670 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.478 27.626 28.193 1.00 0.00 C ATOM 0 H LEU A 8 33.661 30.673 25.044 1.00 0.00 H new ATOM 0 HA LEU A 8 33.831 29.642 27.687 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.811 28.631 25.627 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.017 29.903 25.653 1.00 0.00 H new ATOM 0 HG LEU A 8 36.654 27.775 26.380 1.00 0.00 H new ATOM 0 HD11 LEU A 8 38.083 28.137 28.272 1.00 0.00 H new ATOM 0 HD12 LEU A 8 38.261 29.154 26.823 1.00 0.00 H new ATOM 0 HD13 LEU A 8 37.475 29.810 28.279 1.00 0.00 H new ATOM 0 HD21 LEU A 8 36.166 27.025 28.788 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.933 28.308 28.846 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.772 26.971 27.683 1.00 0.00 H new ATOM 147 N THR A 9 35.049 32.551 26.932 1.00 0.00 N ATOM 148 CA THR A 9 35.471 33.822 27.493 1.00 0.00 C ATOM 149 C THR A 9 34.384 34.551 28.275 1.00 0.00 C ATOM 150 O THR A 9 34.577 35.613 28.864 1.00 0.00 O ATOM 151 CB THR A 9 35.936 34.623 26.268 1.00 0.00 C ATOM 152 OG1 THR A 9 35.270 34.344 25.053 1.00 0.00 O ATOM 153 CG2 THR A 9 37.390 34.314 25.928 1.00 0.00 C ATOM 0 H THR A 9 34.739 32.612 25.962 1.00 0.00 H new ATOM 0 HA THR A 9 36.252 33.683 28.241 1.00 0.00 H new ATOM 0 HB THR A 9 35.737 35.647 26.585 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.640 34.907 24.341 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.691 34.895 25.057 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.025 34.574 26.775 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.495 33.251 25.709 1.00 0.00 H new ATOM 161 N GLY A 10 33.177 33.982 28.329 1.00 0.00 N ATOM 162 CA GLY A 10 32.158 34.403 29.266 1.00 0.00 C ATOM 163 C GLY A 10 30.975 35.157 28.665 1.00 0.00 C ATOM 164 O GLY A 10 29.864 35.220 29.194 1.00 0.00 O ATOM 0 H GLY A 10 32.888 33.217 27.720 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.778 33.521 29.782 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.624 35.037 30.020 1.00 0.00 H new ATOM 168 N LYS A 11 31.145 35.841 27.542 1.00 0.00 N ATOM 169 CA LYS A 11 30.200 36.735 26.900 1.00 0.00 C ATOM 170 C LYS A 11 29.058 35.882 26.339 1.00 0.00 C ATOM 171 O LYS A 11 29.251 34.934 25.578 1.00 0.00 O ATOM 172 CB LYS A 11 30.988 37.492 25.830 1.00 0.00 C ATOM 173 CG LYS A 11 30.185 38.264 24.777 1.00 0.00 C ATOM 174 CD LYS A 11 30.951 39.063 23.725 1.00 0.00 C ATOM 175 CE LYS A 11 29.904 39.458 22.673 1.00 0.00 C ATOM 176 NZ LYS A 11 30.603 39.638 21.391 1.00 0.00 N ATOM 0 H LYS A 11 32.017 35.778 27.017 1.00 0.00 H new ATOM 0 HA LYS A 11 29.747 37.465 27.571 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.648 38.198 26.334 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.624 36.776 25.310 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.549 37.550 24.254 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.524 38.954 25.302 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.419 39.944 24.164 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.748 38.466 23.282 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.139 38.686 22.586 1.00 0.00 H new ATOM 0 HE3 LYS A 11 29.397 40.378 22.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.257 40.501 20.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.625 39.724 21.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.422 38.817 20.779 1.00 0.00 H new ATOM 190 N THR A 12 27.806 36.240 26.616 1.00 0.00 N ATOM 191 CA THR A 12 26.591 35.584 26.187 1.00 0.00 C ATOM 192 C THR A 12 26.180 36.180 24.831 1.00 0.00 C ATOM 193 O THR A 12 25.734 37.321 24.784 1.00 0.00 O ATOM 194 CB THR A 12 25.580 35.934 27.285 1.00 0.00 C ATOM 195 OG1 THR A 12 25.846 35.158 28.431 1.00 0.00 O ATOM 196 CG2 THR A 12 24.112 35.686 26.940 1.00 0.00 C ATOM 0 H THR A 12 27.609 37.060 27.190 1.00 0.00 H new ATOM 0 HA THR A 12 26.678 34.506 26.055 1.00 0.00 H new ATOM 0 HB THR A 12 25.708 37.006 27.432 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.202 35.382 29.134 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.487 35.968 27.787 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.837 36.283 26.071 1.00 0.00 H new ATOM 0 HG23 THR A 12 23.964 34.630 26.716 1.00 0.00 H new ATOM 204 N ILE A 13 26.295 35.408 23.761 1.00 0.00 N ATOM 205 CA ILE A 13 25.748 35.733 22.454 1.00 0.00 C ATOM 206 C ILE A 13 24.347 35.139 22.237 1.00 0.00 C ATOM 207 O ILE A 13 24.066 34.012 22.655 1.00 0.00 O ATOM 208 CB ILE A 13 26.719 35.442 21.320 1.00 0.00 C ATOM 209 CG1 ILE A 13 26.749 33.994 20.816 1.00 0.00 C ATOM 210 CG2 ILE A 13 28.084 35.953 21.790 1.00 0.00 C ATOM 211 CD1 ILE A 13 27.726 33.750 19.668 1.00 0.00 C ATOM 0 H ILE A 13 26.785 34.514 23.779 1.00 0.00 H new ATOM 0 HA ILE A 13 25.609 36.814 22.437 1.00 0.00 H new ATOM 0 HB ILE A 13 26.381 35.961 20.423 1.00 0.00 H new ATOM 0 HG12 ILE A 13 27.010 33.338 21.646 1.00 0.00 H new ATOM 0 HG13 ILE A 13 25.747 33.714 20.491 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.827 35.771 21.014 1.00 0.00 H new ATOM 0 HG22 ILE A 13 28.023 37.023 21.990 1.00 0.00 H new ATOM 0 HG23 ILE A 13 28.375 35.429 22.701 1.00 0.00 H new ATOM 0 HD11 ILE A 13 27.685 32.702 19.372 1.00 0.00 H new ATOM 0 HD12 ILE A 13 27.454 34.378 18.819 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.737 33.996 19.992 1.00 0.00 H new ATOM 223 N THR A 14 23.480 35.911 21.578 1.00 0.00 N ATOM 224 CA THR A 14 22.289 35.386 20.945 1.00 0.00 C ATOM 225 C THR A 14 22.704 34.822 19.585 1.00 0.00 C ATOM 226 O THR A 14 23.635 35.310 18.954 1.00 0.00 O ATOM 227 CB THR A 14 21.277 36.501 20.694 1.00 0.00 C ATOM 228 OG1 THR A 14 19.957 36.015 20.641 1.00 0.00 O ATOM 229 CG2 THR A 14 21.347 37.318 19.399 1.00 0.00 C ATOM 0 H THR A 14 23.593 36.919 21.474 1.00 0.00 H new ATOM 0 HA THR A 14 21.839 34.630 21.588 1.00 0.00 H new ATOM 0 HB THR A 14 21.546 37.138 21.537 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.340 36.760 20.481 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.551 38.063 19.395 1.00 0.00 H new ATOM 0 HG22 THR A 14 22.313 37.819 19.337 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.227 36.654 18.543 1.00 0.00 H new ATOM 237 N LEU A 15 22.030 33.730 19.252 1.00 0.00 N ATOM 238 CA LEU A 15 22.045 32.923 18.054 1.00 0.00 C ATOM 239 C LEU A 15 20.587 32.668 17.656 1.00 0.00 C ATOM 240 O LEU A 15 19.790 32.215 18.464 1.00 0.00 O ATOM 241 CB LEU A 15 22.932 31.696 18.267 1.00 0.00 C ATOM 242 CG LEU A 15 23.747 31.417 17.008 1.00 0.00 C ATOM 243 CD1 LEU A 15 25.040 32.243 17.070 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.003 29.918 16.983 1.00 0.00 C ATOM 0 H LEU A 15 21.365 33.340 19.920 1.00 0.00 H new ATOM 0 HA LEU A 15 22.505 33.418 17.199 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.599 31.862 19.113 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.317 30.830 18.511 1.00 0.00 H new ATOM 0 HG LEU A 15 23.233 31.703 16.091 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.635 32.055 16.176 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.792 33.303 17.125 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.612 31.958 17.953 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.586 29.663 16.098 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.556 29.628 17.877 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.052 29.387 16.957 1.00 0.00 H new ATOM 256 N GLU A 16 20.224 33.091 16.439 1.00 0.00 N ATOM 257 CA GLU A 16 18.911 32.722 15.967 1.00 0.00 C ATOM 258 C GLU A 16 18.952 31.351 15.302 1.00 0.00 C ATOM 259 O GLU A 16 19.861 31.113 14.509 1.00 0.00 O ATOM 260 CB GLU A 16 18.663 33.766 14.884 1.00 0.00 C ATOM 261 CG GLU A 16 18.226 35.116 15.453 1.00 0.00 C ATOM 262 CD GLU A 16 19.421 36.019 15.681 1.00 0.00 C ATOM 263 OE1 GLU A 16 20.444 35.936 14.964 1.00 0.00 O ATOM 264 OE2 GLU A 16 19.189 36.933 16.501 1.00 0.00 O ATOM 0 H GLU A 16 20.791 33.655 15.806 1.00 0.00 H new ATOM 0 HA GLU A 16 18.163 32.682 16.759 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.573 33.900 14.300 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.897 33.399 14.201 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.528 35.596 14.767 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.695 34.964 16.393 1.00 0.00 H new ATOM 271 N VAL A 17 17.991 30.491 15.628 1.00 0.00 N ATOM 272 CA VAL A 17 17.954 29.129 15.126 1.00 0.00 C ATOM 273 C VAL A 17 16.525 28.775 14.729 1.00 0.00 C ATOM 274 O VAL A 17 15.663 29.610 14.986 1.00 0.00 O ATOM 275 CB VAL A 17 18.702 28.254 16.136 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.187 28.617 16.244 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.944 28.175 17.462 1.00 0.00 C ATOM 0 H VAL A 17 17.216 30.724 16.249 1.00 0.00 H new ATOM 0 HA VAL A 17 18.486 28.960 14.190 1.00 0.00 H new ATOM 0 HB VAL A 17 18.722 27.231 15.760 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.669 27.966 16.974 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.664 28.489 15.273 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.286 29.655 16.563 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.497 27.548 18.161 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.837 29.176 17.880 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.957 27.745 17.292 1.00 0.00 H new ATOM 287 N GLU A 18 16.286 27.642 14.061 1.00 0.00 N ATOM 288 CA GLU A 18 15.033 26.946 13.884 1.00 0.00 C ATOM 289 C GLU A 18 15.190 25.631 14.654 1.00 0.00 C ATOM 290 O GLU A 18 16.321 25.196 14.855 1.00 0.00 O ATOM 291 CB GLU A 18 14.782 26.702 12.399 1.00 0.00 C ATOM 292 CG GLU A 18 13.372 26.345 11.939 1.00 0.00 C ATOM 293 CD GLU A 18 13.209 26.365 10.430 1.00 0.00 C ATOM 294 OE1 GLU A 18 14.211 26.421 9.677 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.054 26.274 9.958 1.00 0.00 O ATOM 0 H GLU A 18 17.047 27.152 13.590 1.00 0.00 H new ATOM 0 HA GLU A 18 14.179 27.514 14.253 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.087 27.600 11.861 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.446 25.899 12.080 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.116 25.353 12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.664 27.045 12.383 1.00 0.00 H new ATOM 302 N PRO A 19 14.160 24.913 15.072 1.00 0.00 N ATOM 303 CA PRO A 19 14.310 23.644 15.759 1.00 0.00 C ATOM 304 C PRO A 19 14.820 22.460 14.937 1.00 0.00 C ATOM 305 O PRO A 19 15.378 21.522 15.507 1.00 0.00 O ATOM 306 CB PRO A 19 12.953 23.397 16.423 1.00 0.00 C ATOM 307 CG PRO A 19 11.898 24.100 15.567 1.00 0.00 C ATOM 308 CD PRO A 19 12.765 25.294 15.133 1.00 0.00 C ATOM 0 HA PRO A 19 15.126 23.720 16.477 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.746 22.329 16.490 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.946 23.787 17.441 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.553 23.494 14.729 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.014 24.395 16.133 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.437 25.653 14.157 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.637 26.118 15.835 1.00 0.00 H new ATOM 316 N SER A 20 14.519 22.524 13.643 1.00 0.00 N ATOM 317 CA SER A 20 15.000 21.495 12.747 1.00 0.00 C ATOM 318 C SER A 20 16.471 21.575 12.340 1.00 0.00 C ATOM 319 O SER A 20 16.913 20.762 11.526 1.00 0.00 O ATOM 320 CB SER A 20 14.175 21.493 11.453 1.00 0.00 C ATOM 321 OG SER A 20 13.887 22.826 11.097 1.00 0.00 O ATOM 0 H SER A 20 13.960 23.258 13.207 1.00 0.00 H new ATOM 0 HA SER A 20 14.889 20.583 13.333 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.728 21.000 10.654 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.251 20.932 11.595 1.00 0.00 H new ATOM 0 HG SER A 20 13.361 22.837 10.270 1.00 0.00 H new ATOM 327 N ASP A 21 17.220 22.517 12.894 1.00 0.00 N ATOM 328 CA ASP A 21 18.527 22.964 12.432 1.00 0.00 C ATOM 329 C ASP A 21 19.579 22.017 13.013 1.00 0.00 C ATOM 330 O ASP A 21 19.524 21.693 14.197 1.00 0.00 O ATOM 331 CB ASP A 21 18.863 24.373 12.914 1.00 0.00 C ATOM 332 CG ASP A 21 18.334 25.522 12.071 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.063 25.356 10.857 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.433 26.621 12.655 1.00 0.00 O ATOM 0 H ASP A 21 16.914 23.020 13.727 1.00 0.00 H new ATOM 0 HA ASP A 21 18.516 22.967 11.342 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.478 24.488 13.927 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.948 24.464 12.973 1.00 0.00 H new ATOM 339 N THR A 22 20.601 21.682 12.233 1.00 0.00 N ATOM 340 CA THR A 22 21.686 20.797 12.607 1.00 0.00 C ATOM 341 C THR A 22 22.699 21.541 13.479 1.00 0.00 C ATOM 342 O THR A 22 23.011 22.706 13.289 1.00 0.00 O ATOM 343 CB THR A 22 22.368 20.199 11.378 1.00 0.00 C ATOM 344 OG1 THR A 22 22.930 21.150 10.495 1.00 0.00 O ATOM 345 CG2 THR A 22 21.496 19.269 10.532 1.00 0.00 C ATOM 0 H THR A 22 20.695 22.038 11.282 1.00 0.00 H new ATOM 0 HA THR A 22 21.265 19.973 13.183 1.00 0.00 H new ATOM 0 HB THR A 22 23.158 19.617 11.853 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.347 20.687 9.738 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.074 18.899 9.685 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.164 18.428 11.141 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.628 19.817 10.167 1.00 0.00 H new ATOM 353 N ILE A 23 23.219 20.872 14.506 1.00 0.00 N ATOM 354 CA ILE A 23 24.313 21.365 15.317 1.00 0.00 C ATOM 355 C ILE A 23 25.497 21.925 14.530 1.00 0.00 C ATOM 356 O ILE A 23 26.085 22.905 14.984 1.00 0.00 O ATOM 357 CB ILE A 23 24.580 20.290 16.371 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.419 20.070 17.346 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.952 20.351 17.040 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.125 18.638 17.784 1.00 0.00 C ATOM 0 H ILE A 23 22.880 19.955 14.797 1.00 0.00 H new ATOM 0 HA ILE A 23 24.049 22.284 15.841 1.00 0.00 H new ATOM 0 HB ILE A 23 24.632 19.374 15.783 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.615 20.661 18.241 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.516 20.474 16.889 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.037 19.546 17.769 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.730 20.241 16.285 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.069 21.311 17.544 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.280 18.634 18.472 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.884 18.032 16.910 1.00 0.00 H new ATOM 0 HD13 ILE A 23 24.001 18.223 18.283 1.00 0.00 H new ATOM 372 N GLU A 24 25.832 21.349 13.379 1.00 0.00 N ATOM 373 CA GLU A 24 26.864 21.765 12.461 1.00 0.00 C ATOM 374 C GLU A 24 26.690 23.234 12.065 1.00 0.00 C ATOM 375 O GLU A 24 27.595 24.026 12.323 1.00 0.00 O ATOM 376 CB GLU A 24 26.672 20.874 11.228 1.00 0.00 C ATOM 377 CG GLU A 24 27.842 20.992 10.245 1.00 0.00 C ATOM 378 CD GLU A 24 29.091 20.491 10.953 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.057 19.545 11.774 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.185 20.964 10.578 1.00 0.00 O ATOM 0 H GLU A 24 25.346 20.516 13.047 1.00 0.00 H new ATOM 0 HA GLU A 24 27.856 21.672 12.904 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.567 19.836 11.544 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.746 21.148 10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.649 20.404 9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 24 27.971 22.026 9.927 1.00 0.00 H new ATOM 387 N ASN A 25 25.512 23.686 11.657 1.00 0.00 N ATOM 388 CA ASN A 25 25.042 24.999 11.295 1.00 0.00 C ATOM 389 C ASN A 25 25.066 25.957 12.485 1.00 0.00 C ATOM 390 O ASN A 25 25.564 27.078 12.412 1.00 0.00 O ATOM 391 CB ASN A 25 23.614 24.937 10.764 1.00 0.00 C ATOM 392 CG ASN A 25 23.345 26.246 10.024 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.524 27.015 10.512 1.00 0.00 O ATOM 394 ND2 ASN A 25 23.739 26.366 8.762 1.00 0.00 N ATOM 0 H ASN A 25 24.746 23.019 11.561 1.00 0.00 H new ATOM 0 HA ASN A 25 25.716 25.367 10.522 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.490 24.085 10.095 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.906 24.806 11.582 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.358 27.110 8.177 1.00 0.00 H new ATOM 0 HD22 ASN A 25 24.423 25.715 8.377 1.00 0.00 H new ATOM 401 N VAL A 26 24.621 25.463 13.637 1.00 0.00 N ATOM 402 CA VAL A 26 24.744 26.170 14.897 1.00 0.00 C ATOM 403 C VAL A 26 26.166 26.637 15.192 1.00 0.00 C ATOM 404 O VAL A 26 26.287 27.845 15.415 1.00 0.00 O ATOM 405 CB VAL A 26 24.072 25.382 16.022 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.102 26.004 17.419 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.614 25.042 15.732 1.00 0.00 C ATOM 0 H VAL A 26 24.163 24.555 13.717 1.00 0.00 H new ATOM 0 HA VAL A 26 24.195 27.108 14.816 1.00 0.00 H new ATOM 0 HB VAL A 26 24.704 24.494 16.038 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.592 25.345 18.122 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.136 26.140 17.734 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.599 26.971 17.398 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.197 24.483 16.570 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.047 25.962 15.592 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.554 24.437 14.827 1.00 0.00 H new ATOM 417 N LYS A 27 27.154 25.753 15.096 1.00 0.00 N ATOM 418 CA LYS A 27 28.573 25.999 15.272 1.00 0.00 C ATOM 419 C LYS A 27 29.116 26.993 14.256 1.00 0.00 C ATOM 420 O LYS A 27 29.906 27.870 14.612 1.00 0.00 O ATOM 421 CB LYS A 27 29.400 24.716 15.197 1.00 0.00 C ATOM 422 CG LYS A 27 29.215 23.698 16.326 1.00 0.00 C ATOM 423 CD LYS A 27 30.478 22.836 16.411 1.00 0.00 C ATOM 424 CE LYS A 27 30.327 21.634 17.343 1.00 0.00 C ATOM 425 NZ LYS A 27 31.472 20.720 17.258 1.00 0.00 N ATOM 0 H LYS A 27 26.965 24.775 14.877 1.00 0.00 H new ATOM 0 HA LYS A 27 28.668 26.423 16.271 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.170 24.220 14.254 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.453 24.994 15.162 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.040 24.209 17.273 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.342 23.074 16.135 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.737 22.483 15.413 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.308 23.453 16.756 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.219 21.984 18.370 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.414 21.094 17.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.275 19.864 17.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.634 20.458 16.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.320 21.190 17.635 1.00 0.00 H new ATOM 439 N ALA A 28 28.668 26.856 13.013 1.00 0.00 N ATOM 440 CA ALA A 28 28.904 27.619 11.805 1.00 0.00 C ATOM 441 C ALA A 28 28.473 29.071 12.033 1.00 0.00 C ATOM 442 O ALA A 28 29.119 29.974 11.511 1.00 0.00 O ATOM 443 CB ALA A 28 28.125 27.024 10.629 1.00 0.00 C ATOM 0 H ALA A 28 28.033 26.085 12.807 1.00 0.00 H new ATOM 0 HA ALA A 28 29.967 27.583 11.565 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.316 27.612 9.731 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.445 25.995 10.464 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.058 27.041 10.853 1.00 0.00 H new ATOM 449 N LYS A 29 27.371 29.373 12.703 1.00 0.00 N ATOM 450 CA LYS A 29 26.918 30.709 13.056 1.00 0.00 C ATOM 451 C LYS A 29 27.620 31.326 14.274 1.00 0.00 C ATOM 452 O LYS A 29 27.672 32.546 14.445 1.00 0.00 O ATOM 453 CB LYS A 29 25.478 30.466 13.525 1.00 0.00 C ATOM 454 CG LYS A 29 24.501 30.504 12.344 1.00 0.00 C ATOM 455 CD LYS A 29 23.042 30.389 12.786 1.00 0.00 C ATOM 456 CE LYS A 29 22.123 30.577 11.574 1.00 0.00 C ATOM 457 NZ LYS A 29 20.694 30.516 11.889 1.00 0.00 N ATOM 0 H LYS A 29 26.732 28.650 13.034 1.00 0.00 H new ATOM 0 HA LYS A 29 27.086 31.376 12.210 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.413 29.499 14.024 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.198 31.223 14.258 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.638 31.435 11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.734 29.690 11.657 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.865 29.415 13.242 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.820 31.141 13.544 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.341 31.540 11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.354 29.810 10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.173 31.167 11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.347 29.546 11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.545 30.791 12.881 1.00 0.00 H new ATOM 471 N ILE A 30 28.252 30.533 15.126 1.00 0.00 N ATOM 472 CA ILE A 30 29.082 30.977 16.230 1.00 0.00 C ATOM 473 C ILE A 30 30.424 31.426 15.643 1.00 0.00 C ATOM 474 O ILE A 30 31.045 32.397 16.082 1.00 0.00 O ATOM 475 CB ILE A 30 29.122 29.939 17.354 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.741 29.769 17.972 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.171 30.376 18.384 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.484 28.426 18.656 1.00 0.00 C ATOM 0 H ILE A 30 28.196 29.517 15.062 1.00 0.00 H new ATOM 0 HA ILE A 30 28.668 31.844 16.744 1.00 0.00 H new ATOM 0 HB ILE A 30 29.408 28.963 16.961 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.589 30.563 18.703 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.994 29.907 17.191 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.213 29.647 19.193 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.147 30.441 17.904 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.900 31.351 18.788 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.472 28.412 19.061 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.596 27.621 17.930 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.201 28.287 19.465 1.00 0.00 H new ATOM 490 N GLN A 31 30.922 30.840 14.566 1.00 0.00 N ATOM 491 CA GLN A 31 31.974 31.299 13.674 1.00 0.00 C ATOM 492 C GLN A 31 31.604 32.550 12.863 1.00 0.00 C ATOM 493 O GLN A 31 32.516 33.360 12.716 1.00 0.00 O ATOM 494 CB GLN A 31 32.522 30.219 12.753 1.00 0.00 C ATOM 495 CG GLN A 31 33.949 30.470 12.277 1.00 0.00 C ATOM 496 CD GLN A 31 34.374 29.431 11.243 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.584 28.721 10.630 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.667 29.196 11.044 1.00 0.00 N ATOM 0 H GLN A 31 30.560 29.935 14.264 1.00 0.00 H new ATOM 0 HA GLN A 31 32.773 31.578 14.361 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.487 29.262 13.273 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.870 30.133 11.883 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.021 31.468 11.845 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.630 30.441 13.128 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.368 29.757 11.528 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.958 28.455 10.407 1.00 0.00 H new ATOM 507 N ASP A 32 30.396 32.771 12.348 1.00 0.00 N ATOM 508 CA ASP A 32 29.988 34.000 11.700 1.00 0.00 C ATOM 509 C ASP A 32 29.941 35.138 12.733 1.00 0.00 C ATOM 510 O ASP A 32 30.319 36.216 12.278 1.00 0.00 O ATOM 511 CB ASP A 32 28.671 33.947 10.915 1.00 0.00 C ATOM 512 CG ASP A 32 28.495 35.035 9.873 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.407 35.128 9.014 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.458 35.725 9.961 1.00 0.00 O ATOM 0 H ASP A 32 29.655 32.071 12.375 1.00 0.00 H new ATOM 0 HA ASP A 32 30.748 34.179 10.940 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.600 32.978 10.421 1.00 0.00 H new ATOM 0 HB3 ASP A 32 27.843 34.006 11.622 1.00 0.00 H new ATOM 519 N LYS A 33 29.796 34.891 14.031 1.00 0.00 N ATOM 520 CA LYS A 33 29.758 35.892 15.071 1.00 0.00 C ATOM 521 C LYS A 33 31.095 36.080 15.795 1.00 0.00 C ATOM 522 O LYS A 33 31.753 37.112 15.661 1.00 0.00 O ATOM 523 CB LYS A 33 28.712 35.355 16.052 1.00 0.00 C ATOM 524 CG LYS A 33 27.231 35.361 15.690 1.00 0.00 C ATOM 525 CD LYS A 33 26.567 36.734 15.816 1.00 0.00 C ATOM 526 CE LYS A 33 25.050 36.796 15.702 1.00 0.00 C ATOM 527 NZ LYS A 33 24.457 38.141 15.806 1.00 0.00 N ATOM 0 H LYS A 33 29.698 33.943 14.394 1.00 0.00 H new ATOM 0 HA LYS A 33 29.528 36.872 14.653 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.983 34.324 16.277 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.819 35.922 16.977 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.116 35.005 14.666 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.707 34.654 16.334 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.849 37.156 16.780 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.988 37.383 15.048 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.758 36.363 14.745 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.619 36.168 16.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.423 38.073 15.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.697 38.556 16.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.831 38.745 15.047 1.00 0.00 H new ATOM 541 N GLU A 34 31.615 35.125 16.560 1.00 0.00 N ATOM 542 CA GLU A 34 32.687 35.396 17.498 1.00 0.00 C ATOM 543 C GLU A 34 33.975 34.708 17.009 1.00 0.00 C ATOM 544 O GLU A 34 35.067 35.042 17.446 1.00 0.00 O ATOM 545 CB GLU A 34 32.379 34.832 18.880 1.00 0.00 C ATOM 546 CG GLU A 34 31.203 35.525 19.553 1.00 0.00 C ATOM 547 CD GLU A 34 31.647 36.866 20.114 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.502 36.951 21.032 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.173 37.830 19.479 1.00 0.00 O ATOM 0 H GLU A 34 31.306 34.153 16.545 1.00 0.00 H new ATOM 0 HA GLU A 34 32.800 36.478 17.560 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.165 33.767 18.793 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.262 34.929 19.512 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.396 35.670 18.835 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.809 34.898 20.353 1.00 0.00 H new ATOM 556 N GLY A 35 33.854 33.859 15.990 1.00 0.00 N ATOM 557 CA GLY A 35 34.964 33.498 15.146 1.00 0.00 C ATOM 558 C GLY A 35 35.566 32.119 15.443 1.00 0.00 C ATOM 559 O GLY A 35 36.520 31.752 14.777 1.00 0.00 O ATOM 0 H GLY A 35 32.976 33.407 15.735 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.637 33.521 14.107 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.744 34.252 15.251 1.00 0.00 H new ATOM 563 N ILE A 36 34.998 31.375 16.393 1.00 0.00 N ATOM 564 CA ILE A 36 35.539 30.135 16.913 1.00 0.00 C ATOM 565 C ILE A 36 35.261 29.040 15.889 1.00 0.00 C ATOM 566 O ILE A 36 34.108 28.719 15.571 1.00 0.00 O ATOM 567 CB ILE A 36 34.850 29.934 18.262 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.836 31.176 19.137 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.610 28.831 18.998 1.00 0.00 C ATOM 570 CD1 ILE A 36 33.893 31.142 20.346 1.00 0.00 C ATOM 0 H ILE A 36 34.116 31.636 16.833 1.00 0.00 H new ATOM 0 HA ILE A 36 36.617 30.129 17.071 1.00 0.00 H new ATOM 0 HB ILE A 36 33.808 29.682 18.068 1.00 0.00 H new ATOM 0 HG12 ILE A 36 35.849 31.352 19.498 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.566 32.030 18.516 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.148 28.657 19.970 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.578 27.913 18.411 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.647 29.136 19.139 1.00 0.00 H new ATOM 0 HD11 ILE A 36 33.970 32.081 20.894 1.00 0.00 H new ATOM 0 HD12 ILE A 36 32.867 31.004 20.004 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.171 30.316 21.001 1.00 0.00 H new ATOM 582 N PRO A 37 36.244 28.287 15.398 1.00 0.00 N ATOM 583 CA PRO A 37 36.066 27.218 14.439 1.00 0.00 C ATOM 584 C PRO A 37 35.330 25.983 14.955 1.00 0.00 C ATOM 585 O PRO A 37 35.731 25.586 16.040 1.00 0.00 O ATOM 586 CB PRO A 37 37.480 26.819 14.017 1.00 0.00 C ATOM 587 CG PRO A 37 38.327 27.191 15.240 1.00 0.00 C ATOM 588 CD PRO A 37 37.628 28.438 15.786 1.00 0.00 C ATOM 0 HA PRO A 37 35.434 27.587 13.631 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.547 25.755 13.789 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.801 27.357 13.125 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.347 26.387 15.975 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.361 27.397 14.965 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.730 28.506 16.869 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.059 29.348 15.368 1.00 0.00 H new ATOM 596 N PRO A 38 34.306 25.485 14.269 1.00 0.00 N ATOM 597 CA PRO A 38 33.551 24.279 14.557 1.00 0.00 C ATOM 598 C PRO A 38 34.338 23.040 15.002 1.00 0.00 C ATOM 599 O PRO A 38 33.873 22.403 15.939 1.00 0.00 O ATOM 600 CB PRO A 38 32.663 23.977 13.351 1.00 0.00 C ATOM 601 CG PRO A 38 32.514 25.355 12.703 1.00 0.00 C ATOM 602 CD PRO A 38 33.789 26.114 13.072 1.00 0.00 C ATOM 0 HA PRO A 38 32.971 24.503 15.452 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.126 23.258 12.675 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.700 23.561 13.649 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.405 25.271 11.622 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.628 25.870 13.074 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.517 26.067 12.263 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.576 27.168 13.248 1.00 0.00 H new ATOM 610 N ASP A 39 35.558 22.891 14.479 1.00 0.00 N ATOM 611 CA ASP A 39 36.600 21.916 14.709 1.00 0.00 C ATOM 612 C ASP A 39 36.935 21.739 16.195 1.00 0.00 C ATOM 613 O ASP A 39 36.736 20.676 16.778 1.00 0.00 O ATOM 614 CB ASP A 39 37.834 22.305 13.899 1.00 0.00 C ATOM 615 CG ASP A 39 39.206 21.800 14.319 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.364 20.638 14.748 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.136 22.640 14.318 1.00 0.00 O ATOM 0 H ASP A 39 35.872 23.562 13.778 1.00 0.00 H new ATOM 0 HA ASP A 39 36.235 20.945 14.376 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.667 21.976 12.874 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.880 23.394 13.880 1.00 0.00 H new ATOM 622 N GLN A 40 37.441 22.832 16.758 1.00 0.00 N ATOM 623 CA GLN A 40 37.787 23.058 18.149 1.00 0.00 C ATOM 624 C GLN A 40 36.642 23.242 19.139 1.00 0.00 C ATOM 625 O GLN A 40 36.882 23.014 20.320 1.00 0.00 O ATOM 626 CB GLN A 40 38.736 24.245 18.296 1.00 0.00 C ATOM 627 CG GLN A 40 40.048 24.164 17.510 1.00 0.00 C ATOM 628 CD GLN A 40 40.924 22.951 17.788 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.420 22.799 18.905 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.253 22.168 16.767 1.00 0.00 N ATOM 0 H GLN A 40 37.636 23.659 16.193 1.00 0.00 H new ATOM 0 HA GLN A 40 38.256 22.112 18.420 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.207 25.147 17.987 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.976 24.362 19.353 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.811 24.179 16.446 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.629 25.062 17.720 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.827 22.316 15.852 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.932 21.418 16.897 1.00 0.00 H new ATOM 639 N GLN A 41 35.487 23.712 18.672 1.00 0.00 N ATOM 640 CA GLN A 41 34.282 24.023 19.415 1.00 0.00 C ATOM 641 C GLN A 41 33.640 22.700 19.814 1.00 0.00 C ATOM 642 O GLN A 41 33.189 21.997 18.914 1.00 0.00 O ATOM 643 CB GLN A 41 33.427 24.927 18.532 1.00 0.00 C ATOM 644 CG GLN A 41 32.113 25.281 19.222 1.00 0.00 C ATOM 645 CD GLN A 41 31.158 26.063 18.328 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.005 26.212 18.733 1.00 0.00 O ATOM 647 NE2 GLN A 41 31.603 26.555 17.186 1.00 0.00 N ATOM 0 H GLN A 41 35.367 23.899 17.676 1.00 0.00 H new ATOM 0 HA GLN A 41 34.450 24.571 20.342 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.977 25.839 18.299 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.222 24.428 17.585 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.624 24.364 19.551 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.326 25.867 20.116 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.571 26.397 16.905 1.00 0.00 H new ATOM 0 HE22 GLN A 41 30.979 27.093 16.585 1.00 0.00 H new ATOM 656 N ARG A 42 33.337 22.560 21.095 1.00 0.00 N ATOM 657 CA ARG A 42 32.366 21.632 21.645 1.00 0.00 C ATOM 658 C ARG A 42 31.297 22.436 22.397 1.00 0.00 C ATOM 659 O ARG A 42 31.674 23.298 23.189 1.00 0.00 O ATOM 660 CB ARG A 42 33.026 20.663 22.628 1.00 0.00 C ATOM 661 CG ARG A 42 32.210 19.679 23.469 1.00 0.00 C ATOM 662 CD ARG A 42 32.982 18.614 24.241 1.00 0.00 C ATOM 663 NE ARG A 42 33.711 17.734 23.326 1.00 0.00 N ATOM 664 CZ ARG A 42 34.965 17.872 22.899 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.806 18.861 23.248 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.450 17.069 21.940 1.00 0.00 N ATOM 0 H ARG A 42 33.788 23.122 21.817 1.00 0.00 H new ATOM 0 HA ARG A 42 31.928 21.058 20.828 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.739 20.070 22.054 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.604 21.269 23.326 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.621 20.253 24.184 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.506 19.173 22.808 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.681 19.091 24.928 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.292 18.026 24.846 1.00 0.00 H new ATOM 0 HE ARG A 42 33.201 16.923 22.976 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.498 19.589 23.893 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.752 18.884 22.868 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.857 16.346 21.532 1.00 0.00 H new ATOM 0 HH22 ARG A 42 36.412 17.181 21.619 1.00 0.00 H new ATOM 680 N LEU A 43 30.009 22.230 22.154 1.00 0.00 N ATOM 681 CA LEU A 43 28.914 22.866 22.860 1.00 0.00 C ATOM 682 C LEU A 43 28.373 21.952 23.961 1.00 0.00 C ATOM 683 O LEU A 43 28.525 20.747 23.792 1.00 0.00 O ATOM 684 CB LEU A 43 27.864 23.168 21.792 1.00 0.00 C ATOM 685 CG LEU A 43 28.286 24.257 20.814 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.220 24.359 19.714 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.502 25.636 21.435 1.00 0.00 C ATOM 0 H LEU A 43 29.690 21.588 21.429 1.00 0.00 H new ATOM 0 HA LEU A 43 29.225 23.779 23.368 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.650 22.255 21.236 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.937 23.469 22.280 1.00 0.00 H new ATOM 0 HG LEU A 43 29.259 23.959 20.425 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.504 25.135 19.003 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.139 23.403 19.196 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.259 24.612 20.161 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.800 26.342 20.659 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.576 25.976 21.898 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.285 25.576 22.191 1.00 0.00 H new ATOM 699 N ILE A 44 27.642 22.529 24.906 1.00 0.00 N ATOM 700 CA ILE A 44 26.965 21.861 26.012 1.00 0.00 C ATOM 701 C ILE A 44 25.561 22.459 26.140 1.00 0.00 C ATOM 702 O ILE A 44 25.375 23.676 26.090 1.00 0.00 O ATOM 703 CB ILE A 44 27.830 21.901 27.278 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.351 21.970 27.210 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.417 20.685 28.111 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.961 22.322 28.564 1.00 0.00 C ATOM 0 H ILE A 44 27.497 23.538 24.922 1.00 0.00 H new ATOM 0 HA ILE A 44 26.829 20.795 25.828 1.00 0.00 H new ATOM 0 HB ILE A 44 27.621 22.887 27.693 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.744 21.011 26.872 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.649 22.715 26.472 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.001 20.658 29.031 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.357 20.755 28.356 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.598 19.774 27.540 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.047 22.362 28.475 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.588 23.293 28.890 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.685 21.563 29.296 1.00 0.00 H new ATOM 718 N PHE A 45 24.608 21.557 26.367 1.00 0.00 N ATOM 719 CA PHE A 45 23.267 21.793 26.867 1.00 0.00 C ATOM 720 C PHE A 45 23.022 20.805 28.018 1.00 0.00 C ATOM 721 O PHE A 45 23.048 19.594 27.810 1.00 0.00 O ATOM 722 CB PHE A 45 22.201 21.756 25.774 1.00 0.00 C ATOM 723 CG PHE A 45 20.815 22.046 26.307 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.572 23.252 26.975 1.00 0.00 C ATOM 725 CD2 PHE A 45 19.792 21.090 26.277 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.300 23.572 27.471 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.539 21.359 26.845 1.00 0.00 C ATOM 728 CZ PHE A 45 18.278 22.634 27.352 1.00 0.00 C ATOM 0 H PHE A 45 24.773 20.566 26.190 1.00 0.00 H new ATOM 0 HA PHE A 45 23.185 22.811 27.249 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.450 22.485 25.003 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.206 20.775 25.299 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.383 23.952 27.111 1.00 0.00 H new ATOM 0 HD2 PHE A 45 19.971 20.133 25.810 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.116 24.529 27.937 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.783 20.589 26.890 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.274 22.895 27.654 1.00 0.00 H new ATOM 738 N ALA A 46 22.819 21.300 29.233 1.00 0.00 N ATOM 739 CA ALA A 46 22.358 20.624 30.428 1.00 0.00 C ATOM 740 C ALA A 46 23.231 19.445 30.854 1.00 0.00 C ATOM 741 O ALA A 46 22.774 18.377 31.248 1.00 0.00 O ATOM 742 CB ALA A 46 20.846 20.394 30.355 1.00 0.00 C ATOM 0 H ALA A 46 22.993 22.288 29.419 1.00 0.00 H new ATOM 0 HA ALA A 46 22.499 21.282 31.286 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.511 19.885 31.259 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.336 21.353 30.269 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.613 19.780 29.485 1.00 0.00 H new ATOM 748 N GLY A 47 24.530 19.602 30.609 1.00 0.00 N ATOM 749 CA GLY A 47 25.620 18.676 30.823 1.00 0.00 C ATOM 750 C GLY A 47 25.764 17.503 29.845 1.00 0.00 C ATOM 751 O GLY A 47 26.688 16.703 29.984 1.00 0.00 O ATOM 0 H GLY A 47 24.872 20.478 30.213 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.550 19.244 30.805 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.518 18.264 31.827 1.00 0.00 H new ATOM 755 N LYS A 48 25.026 17.521 28.739 1.00 0.00 N ATOM 756 CA LYS A 48 25.077 16.603 27.620 1.00 0.00 C ATOM 757 C LYS A 48 25.921 17.274 26.529 1.00 0.00 C ATOM 758 O LYS A 48 25.744 18.454 26.248 1.00 0.00 O ATOM 759 CB LYS A 48 23.664 16.453 27.073 1.00 0.00 C ATOM 760 CG LYS A 48 22.685 15.911 28.117 1.00 0.00 C ATOM 761 CD LYS A 48 21.377 15.430 27.473 1.00 0.00 C ATOM 762 CE LYS A 48 20.276 15.155 28.493 1.00 0.00 C ATOM 763 NZ LYS A 48 18.987 14.788 27.886 1.00 0.00 N ATOM 0 H LYS A 48 24.319 18.242 28.597 1.00 0.00 H new ATOM 0 HA LYS A 48 25.487 15.637 27.916 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.311 17.421 26.717 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.680 15.784 26.213 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.149 15.086 28.658 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.466 16.689 28.849 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.029 16.182 26.765 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.572 14.522 26.903 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.598 14.351 29.155 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.137 16.041 29.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.287 14.616 28.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.657 15.563 27.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.104 13.925 27.317 1.00 0.00 H new ATOM 777 N GLN A 49 26.836 16.521 25.933 1.00 0.00 N ATOM 778 CA GLN A 49 27.688 16.881 24.819 1.00 0.00 C ATOM 779 C GLN A 49 26.814 16.598 23.594 1.00 0.00 C ATOM 780 O GLN A 49 26.279 15.500 23.492 1.00 0.00 O ATOM 781 CB GLN A 49 28.900 15.948 24.714 1.00 0.00 C ATOM 782 CG GLN A 49 29.754 16.279 23.483 1.00 0.00 C ATOM 783 CD GLN A 49 30.989 15.423 23.235 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.644 14.951 24.160 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.507 15.273 22.017 1.00 0.00 N ATOM 0 H GLN A 49 27.012 15.566 26.245 1.00 0.00 H new ATOM 0 HA GLN A 49 28.050 17.904 24.916 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.508 16.035 25.615 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.561 14.914 24.657 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.115 16.212 22.602 1.00 0.00 H new ATOM 0 HG3 GLN A 49 30.075 17.317 23.565 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.014 15.642 21.204 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.397 14.789 21.897 1.00 0.00 H new ATOM 794 N LEU A 50 26.604 17.581 22.712 1.00 0.00 N ATOM 795 CA LEU A 50 25.702 17.513 21.587 1.00 0.00 C ATOM 796 C LEU A 50 26.313 16.647 20.483 1.00 0.00 C ATOM 797 O LEU A 50 27.452 16.938 20.134 1.00 0.00 O ATOM 798 CB LEU A 50 25.505 18.931 21.042 1.00 0.00 C ATOM 799 CG LEU A 50 24.735 19.818 22.024 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.511 21.215 21.437 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.446 19.389 22.741 1.00 0.00 C ATOM 0 H LEU A 50 27.085 18.478 22.777 1.00 0.00 H new ATOM 0 HA LEU A 50 24.752 17.081 21.903 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.477 19.378 20.834 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.966 18.885 20.095 1.00 0.00 H new ATOM 0 HG LEU A 50 25.446 19.739 22.846 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.962 21.827 22.153 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.474 21.680 21.226 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.937 21.134 20.514 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.099 20.199 23.382 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.679 19.157 22.002 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.644 18.506 23.348 1.00 0.00 H new ATOM 813 N GLU A 51 25.615 15.669 19.917 1.00 0.00 N ATOM 814 CA GLU A 51 26.205 14.637 19.082 1.00 0.00 C ATOM 815 C GLU A 51 26.157 15.084 17.614 1.00 0.00 C ATOM 816 O GLU A 51 25.074 15.264 17.059 1.00 0.00 O ATOM 817 CB GLU A 51 25.505 13.312 19.355 1.00 0.00 C ATOM 818 CG GLU A 51 26.128 11.942 19.050 1.00 0.00 C ATOM 819 CD GLU A 51 25.231 11.059 18.195 1.00 0.00 C ATOM 820 OE1 GLU A 51 24.389 11.546 17.403 1.00 0.00 O ATOM 821 OE2 GLU A 51 25.322 9.822 18.312 1.00 0.00 O ATOM 0 H GLU A 51 24.606 15.572 20.029 1.00 0.00 H new ATOM 0 HA GLU A 51 27.258 14.482 19.319 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.261 13.308 20.417 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.561 13.347 18.811 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.080 12.087 18.539 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.345 11.431 19.988 1.00 0.00 H new ATOM 828 N ASP A 52 27.280 15.091 16.912 1.00 0.00 N ATOM 829 CA ASP A 52 27.505 15.442 15.523 1.00 0.00 C ATOM 830 C ASP A 52 26.471 14.798 14.599 1.00 0.00 C ATOM 831 O ASP A 52 26.439 13.580 14.446 1.00 0.00 O ATOM 832 CB ASP A 52 28.970 15.195 15.152 1.00 0.00 C ATOM 833 CG ASP A 52 29.849 16.132 15.978 1.00 0.00 C ATOM 834 OD1 ASP A 52 30.092 15.828 17.166 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.321 17.116 15.385 1.00 0.00 O ATOM 0 H ASP A 52 28.156 14.818 17.358 1.00 0.00 H new ATOM 0 HA ASP A 52 27.343 16.510 15.379 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.239 14.157 15.345 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.125 15.372 14.088 1.00 0.00 H new ATOM 840 N GLY A 53 25.631 15.579 13.928 1.00 0.00 N ATOM 841 CA GLY A 53 24.695 15.119 12.914 1.00 0.00 C ATOM 842 C GLY A 53 23.231 15.201 13.369 1.00 0.00 C ATOM 843 O GLY A 53 22.370 15.139 12.486 1.00 0.00 O ATOM 0 H GLY A 53 25.583 16.586 14.083 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.823 15.716 12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.931 14.088 12.650 1.00 0.00 H new ATOM 847 N ARG A 54 22.921 15.466 14.627 1.00 0.00 N ATOM 848 CA ARG A 54 21.589 15.678 15.152 1.00 0.00 C ATOM 849 C ARG A 54 21.157 17.140 15.005 1.00 0.00 C ATOM 850 O ARG A 54 21.982 18.044 14.954 1.00 0.00 O ATOM 851 CB ARG A 54 21.796 15.473 16.645 1.00 0.00 C ATOM 852 CG ARG A 54 22.205 14.062 17.089 1.00 0.00 C ATOM 853 CD ARG A 54 21.447 12.948 16.374 1.00 0.00 C ATOM 854 NE ARG A 54 21.904 11.682 16.959 1.00 0.00 N ATOM 855 CZ ARG A 54 21.266 10.526 16.735 1.00 0.00 C ATOM 856 NH1 ARG A 54 20.054 10.401 16.192 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.052 9.465 16.976 1.00 0.00 N ATOM 0 H ARG A 54 23.637 15.543 15.349 1.00 0.00 H new ATOM 0 HA ARG A 54 20.856 15.041 14.657 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.560 16.173 16.983 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.871 15.738 17.158 1.00 0.00 H new ATOM 0 HG2 ARG A 54 23.273 13.932 16.915 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.043 13.968 18.163 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.371 13.068 16.503 1.00 0.00 H new ATOM 0 HD3 ARG A 54 21.644 12.972 15.302 1.00 0.00 H new ATOM 0 HE ARG A 54 22.732 11.683 17.554 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.534 11.231 15.909 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.647 9.475 16.060 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.012 9.603 17.291 1.00 0.00 H new ATOM 0 HH22 ARG A 54 21.689 8.521 16.845 1.00 0.00 H new ATOM 871 N THR A 55 19.829 17.278 14.946 1.00 0.00 N ATOM 872 CA THR A 55 19.102 18.501 15.205 1.00 0.00 C ATOM 873 C THR A 55 19.029 18.986 16.660 1.00 0.00 C ATOM 874 O THR A 55 19.168 18.133 17.531 1.00 0.00 O ATOM 875 CB THR A 55 17.682 18.339 14.656 1.00 0.00 C ATOM 876 OG1 THR A 55 16.807 17.587 15.472 1.00 0.00 O ATOM 877 CG2 THR A 55 17.607 18.031 13.164 1.00 0.00 C ATOM 0 H THR A 55 19.215 16.500 14.705 1.00 0.00 H new ATOM 0 HA THR A 55 19.679 19.278 14.704 1.00 0.00 H new ATOM 0 HB THR A 55 17.267 19.345 14.723 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.210 16.716 15.668 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.563 17.933 12.865 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.072 18.841 12.601 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.132 17.098 12.958 1.00 0.00 H new ATOM 885 N LEU A 56 18.722 20.244 16.976 1.00 0.00 N ATOM 886 CA LEU A 56 18.419 20.743 18.293 1.00 0.00 C ATOM 887 C LEU A 56 17.119 20.189 18.879 1.00 0.00 C ATOM 888 O LEU A 56 16.966 20.022 20.088 1.00 0.00 O ATOM 889 CB LEU A 56 18.370 22.273 18.252 1.00 0.00 C ATOM 890 CG LEU A 56 19.646 22.957 17.773 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.318 24.258 17.038 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.745 23.020 18.836 1.00 0.00 C ATOM 0 H LEU A 56 18.679 20.977 16.268 1.00 0.00 H new ATOM 0 HA LEU A 56 19.214 20.399 18.954 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.550 22.576 17.601 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.135 22.639 19.252 1.00 0.00 H new ATOM 0 HG LEU A 56 20.120 22.326 17.021 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.242 24.730 16.704 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.690 24.040 16.174 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.788 24.932 17.711 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.622 23.520 18.424 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.383 23.576 19.701 1.00 0.00 H new ATOM 0 HD23 LEU A 56 21.014 22.009 19.142 1.00 0.00 H new ATOM 904 N SER A 57 16.184 19.688 18.071 1.00 0.00 N ATOM 905 CA SER A 57 14.981 19.036 18.549 1.00 0.00 C ATOM 906 C SER A 57 15.349 17.623 18.996 1.00 0.00 C ATOM 907 O SER A 57 14.575 17.093 19.798 1.00 0.00 O ATOM 908 CB SER A 57 13.923 19.077 17.448 1.00 0.00 C ATOM 909 OG SER A 57 12.926 18.096 17.584 1.00 0.00 O ATOM 0 H SER A 57 16.249 19.728 17.054 1.00 0.00 H new ATOM 0 HA SER A 57 14.551 19.546 19.411 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.454 20.061 17.444 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.412 18.953 16.482 1.00 0.00 H new ATOM 0 HG SER A 57 12.282 18.180 16.850 1.00 0.00 H new ATOM 915 N ASP A 58 16.483 17.022 18.649 1.00 0.00 N ATOM 916 CA ASP A 58 16.990 15.799 19.247 1.00 0.00 C ATOM 917 C ASP A 58 17.620 16.014 20.627 1.00 0.00 C ATOM 918 O ASP A 58 18.030 15.103 21.329 1.00 0.00 O ATOM 919 CB ASP A 58 18.097 15.109 18.459 1.00 0.00 C ATOM 920 CG ASP A 58 17.567 14.732 17.082 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.531 14.030 17.035 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.083 15.181 16.047 1.00 0.00 O ATOM 0 H ASP A 58 17.093 17.389 17.918 1.00 0.00 H new ATOM 0 HA ASP A 58 16.085 15.192 19.279 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.958 15.770 18.362 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.436 14.219 18.988 1.00 0.00 H new ATOM 927 N TYR A 59 17.597 17.206 21.209 1.00 0.00 N ATOM 928 CA TYR A 59 18.204 17.619 22.462 1.00 0.00 C ATOM 929 C TYR A 59 17.286 18.526 23.288 1.00 0.00 C ATOM 930 O TYR A 59 17.697 18.904 24.382 1.00 0.00 O ATOM 931 CB TYR A 59 19.554 18.314 22.252 1.00 0.00 C ATOM 932 CG TYR A 59 20.706 17.340 22.156 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.203 16.812 23.352 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.217 16.961 20.910 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.095 15.730 23.263 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.151 15.923 20.875 1.00 0.00 C ATOM 937 CZ TYR A 59 22.573 15.253 22.034 1.00 0.00 C ATOM 938 OH TYR A 59 23.626 14.395 21.906 1.00 0.00 O ATOM 0 H TYR A 59 17.103 17.983 20.769 1.00 0.00 H new ATOM 0 HA TYR A 59 18.369 16.697 23.020 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.512 18.911 21.341 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.735 19.003 23.077 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.912 17.221 24.308 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.899 17.455 20.004 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.424 15.249 24.172 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.563 15.625 19.922 1.00 0.00 H new ATOM 0 HH TYR A 59 24.400 14.753 22.389 1.00 0.00 H new ATOM 948 N ASN A 60 16.017 18.691 22.912 1.00 0.00 N ATOM 949 CA ASN A 60 14.915 19.316 23.607 1.00 0.00 C ATOM 950 C ASN A 60 15.061 20.810 23.928 1.00 0.00 C ATOM 951 O ASN A 60 14.475 21.382 24.837 1.00 0.00 O ATOM 952 CB ASN A 60 14.726 18.663 24.972 1.00 0.00 C ATOM 953 CG ASN A 60 13.301 18.592 25.509 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.403 18.034 24.882 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.967 19.133 26.674 1.00 0.00 N ATOM 0 H ASN A 60 15.712 18.344 22.002 1.00 0.00 H new ATOM 0 HA ASN A 60 14.090 19.189 22.906 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.121 17.648 24.921 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.335 19.205 25.695 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.005 19.073 27.007 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.673 19.609 27.236 1.00 0.00 H new ATOM 962 N ILE A 61 15.860 21.461 23.082 1.00 0.00 N ATOM 963 CA ILE A 61 16.192 22.863 23.226 1.00 0.00 C ATOM 964 C ILE A 61 15.082 23.631 22.499 1.00 0.00 C ATOM 965 O ILE A 61 14.788 23.375 21.333 1.00 0.00 O ATOM 966 CB ILE A 61 17.550 23.106 22.582 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.586 22.143 23.172 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.975 24.560 22.807 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.947 22.088 22.487 1.00 0.00 C ATOM 0 H ILE A 61 16.295 21.018 22.273 1.00 0.00 H new ATOM 0 HA ILE A 61 16.256 23.184 24.266 1.00 0.00 H new ATOM 0 HB ILE A 61 17.481 22.925 21.509 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.743 22.412 24.217 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.161 21.140 23.162 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.947 24.731 22.345 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.239 25.228 22.360 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.042 24.758 23.877 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.585 21.369 23.002 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.820 21.781 21.449 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.411 23.074 22.520 1.00 0.00 H new ATOM 981 N GLN A 62 14.517 24.595 23.228 1.00 0.00 N ATOM 982 CA GLN A 62 13.465 25.452 22.724 1.00 0.00 C ATOM 983 C GLN A 62 13.931 26.897 22.892 1.00 0.00 C ATOM 984 O GLN A 62 15.134 27.152 22.979 1.00 0.00 O ATOM 985 CB GLN A 62 12.113 25.034 23.297 1.00 0.00 C ATOM 986 CG GLN A 62 11.700 23.642 22.826 1.00 0.00 C ATOM 987 CD GLN A 62 10.403 23.073 23.388 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.210 21.857 23.364 1.00 0.00 O ATOM 989 NE2 GLN A 62 9.496 23.894 23.913 1.00 0.00 N ATOM 0 H GLN A 62 14.785 24.797 24.191 1.00 0.00 H new ATOM 0 HA GLN A 62 13.277 25.349 21.655 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.160 25.050 24.386 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.354 25.758 23.000 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.616 23.664 21.739 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.506 22.950 23.070 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.666 24.900 23.928 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.631 23.517 24.301 1.00 0.00 H new ATOM 998 N LYS A 63 12.986 27.825 22.879 1.00 0.00 N ATOM 999 CA LYS A 63 13.222 29.257 22.731 1.00 0.00 C ATOM 1000 C LYS A 63 13.918 29.724 24.005 1.00 0.00 C ATOM 1001 O LYS A 63 13.550 29.315 25.104 1.00 0.00 O ATOM 1002 CB LYS A 63 11.839 29.862 22.482 1.00 0.00 C ATOM 1003 CG LYS A 63 11.696 31.375 22.335 1.00 0.00 C ATOM 1004 CD LYS A 63 11.201 32.182 23.530 1.00 0.00 C ATOM 1005 CE LYS A 63 11.358 33.710 23.428 1.00 0.00 C ATOM 1006 NZ LYS A 63 10.824 34.401 24.617 1.00 0.00 N ATOM 0 H LYS A 63 11.997 27.595 22.975 1.00 0.00 H new ATOM 0 HA LYS A 63 13.871 29.555 21.907 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.442 29.407 21.575 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.194 29.551 23.304 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.669 31.773 22.048 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.016 31.564 21.504 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.146 31.955 23.684 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.733 31.841 24.418 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.412 33.959 23.307 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.842 34.069 22.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.666 35.404 24.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.924 33.963 24.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.506 34.324 25.399 1.00 0.00 H new ATOM 1020 N GLU A 64 14.964 30.544 23.898 1.00 0.00 N ATOM 1021 CA GLU A 64 15.581 31.377 24.916 1.00 0.00 C ATOM 1022 C GLU A 64 16.572 30.654 25.836 1.00 0.00 C ATOM 1023 O GLU A 64 16.978 31.179 26.873 1.00 0.00 O ATOM 1024 CB GLU A 64 14.525 32.144 25.711 1.00 0.00 C ATOM 1025 CG GLU A 64 15.072 33.481 26.230 1.00 0.00 C ATOM 1026 CD GLU A 64 13.957 34.511 26.363 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.811 34.088 26.619 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.352 35.700 26.281 1.00 0.00 O ATOM 0 H GLU A 64 15.444 30.647 23.004 1.00 0.00 H new ATOM 0 HA GLU A 64 16.196 32.089 24.366 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.655 32.326 25.081 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.189 31.537 26.551 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.551 33.331 27.197 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.837 33.854 25.549 1.00 0.00 H new ATOM 1035 N SER A 65 16.862 29.433 25.416 1.00 0.00 N ATOM 1036 CA SER A 65 17.733 28.516 26.122 1.00 0.00 C ATOM 1037 C SER A 65 19.206 28.934 26.097 1.00 0.00 C ATOM 1038 O SER A 65 19.676 29.591 25.174 1.00 0.00 O ATOM 1039 CB SER A 65 17.636 27.179 25.405 1.00 0.00 C ATOM 1040 OG SER A 65 16.393 26.527 25.286 1.00 0.00 O ATOM 0 H SER A 65 16.486 29.045 24.551 1.00 0.00 H new ATOM 0 HA SER A 65 17.416 28.488 27.164 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.022 27.325 24.396 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.314 26.491 25.910 1.00 0.00 H new ATOM 0 HG SER A 65 15.970 26.781 24.439 1.00 0.00 H new ATOM 1046 N THR A 66 19.931 28.525 27.128 1.00 0.00 N ATOM 1047 CA THR A 66 21.320 28.903 27.289 1.00 0.00 C ATOM 1048 C THR A 66 22.055 27.585 27.043 1.00 0.00 C ATOM 1049 O THR A 66 22.034 26.709 27.905 1.00 0.00 O ATOM 1050 CB THR A 66 21.523 29.604 28.641 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.759 30.779 28.713 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.965 30.058 28.870 1.00 0.00 C ATOM 0 H THR A 66 19.572 27.925 27.871 1.00 0.00 H new ATOM 0 HA THR A 66 21.710 29.655 26.603 1.00 0.00 H new ATOM 0 HB THR A 66 21.231 28.862 29.384 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.901 31.209 29.582 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.043 30.546 29.842 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.627 29.193 28.844 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.254 30.760 28.088 1.00 0.00 H new ATOM 1060 N LEU A 67 22.986 27.636 26.103 1.00 0.00 N ATOM 1061 CA LEU A 67 23.967 26.608 25.821 1.00 0.00 C ATOM 1062 C LEU A 67 25.275 27.211 26.333 1.00 0.00 C ATOM 1063 O LEU A 67 25.460 28.427 26.399 1.00 0.00 O ATOM 1064 CB LEU A 67 24.005 26.476 24.297 1.00 0.00 C ATOM 1065 CG LEU A 67 23.041 25.445 23.718 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.609 25.961 23.632 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.570 25.021 22.350 1.00 0.00 C ATOM 0 H LEU A 67 23.080 28.441 25.484 1.00 0.00 H new ATOM 0 HA LEU A 67 23.772 25.633 26.268 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.782 27.448 23.857 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.019 26.214 23.995 1.00 0.00 H new ATOM 0 HG LEU A 67 22.995 24.585 24.387 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.967 25.186 23.213 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.256 26.224 24.629 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.578 26.843 22.992 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.898 24.283 21.913 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.627 25.891 21.696 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.563 24.586 22.463 1.00 0.00 H new ATOM 1079 N HIS A 68 26.241 26.372 26.676 1.00 0.00 N ATOM 1080 CA HIS A 68 27.588 26.722 27.081 1.00 0.00 C ATOM 1081 C HIS A 68 28.527 26.260 25.961 1.00 0.00 C ATOM 1082 O HIS A 68 28.231 25.282 25.284 1.00 0.00 O ATOM 1083 CB HIS A 68 27.907 26.080 28.428 1.00 0.00 C ATOM 1084 CG HIS A 68 27.103 26.523 29.623 1.00 0.00 C ATOM 1085 ND1 HIS A 68 27.062 25.799 30.808 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.508 27.741 29.776 1.00 0.00 C ATOM 1087 CE1 HIS A 68 26.463 26.593 31.706 1.00 0.00 C ATOM 1088 NE2 HIS A 68 26.039 27.707 31.081 1.00 0.00 N ATOM 0 H HIS A 68 26.091 25.363 26.678 1.00 0.00 H new ATOM 0 HA HIS A 68 27.708 27.796 27.223 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.785 25.002 28.323 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.959 26.262 28.646 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.423 28.540 29.054 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.341 26.375 32.757 1.00 0.00 H new ATOM 0 HE2 HIS A 68 25.454 28.426 31.507 1.00 0.00 H new ATOM 1096 N LEU A 69 29.673 26.900 25.732 1.00 0.00 N ATOM 1097 CA LEU A 69 30.693 26.573 24.749 1.00 0.00 C ATOM 1098 C LEU A 69 32.052 26.436 25.437 1.00 0.00 C ATOM 1099 O LEU A 69 32.428 27.243 26.291 1.00 0.00 O ATOM 1100 CB LEU A 69 30.665 27.778 23.815 1.00 0.00 C ATOM 1101 CG LEU A 69 31.320 27.634 22.442 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.847 28.711 21.459 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.836 27.762 22.608 1.00 0.00 C ATOM 0 H LEU A 69 29.928 27.725 26.275 1.00 0.00 H new ATOM 0 HA LEU A 69 30.522 25.632 24.227 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.623 28.057 23.661 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.145 28.611 24.329 1.00 0.00 H new ATOM 0 HG LEU A 69 31.040 26.661 22.038 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.340 28.568 20.497 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.767 28.636 21.328 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.097 29.697 21.851 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.318 27.661 21.636 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.075 28.737 23.032 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.196 26.979 23.275 1.00 0.00 H new ATOM 1115 N VAL A 70 32.793 25.396 25.075 1.00 0.00 N ATOM 1116 CA VAL A 70 34.077 24.993 25.603 1.00 0.00 C ATOM 1117 C VAL A 70 34.983 24.630 24.422 1.00 0.00 C ATOM 1118 O VAL A 70 34.567 24.041 23.425 1.00 0.00 O ATOM 1119 CB VAL A 70 33.958 23.875 26.637 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.273 24.287 27.947 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.282 22.573 26.239 1.00 0.00 C ATOM 0 H VAL A 70 32.477 24.763 24.340 1.00 0.00 H new ATOM 0 HA VAL A 70 34.526 25.820 26.153 1.00 0.00 H new ATOM 0 HB VAL A 70 35.026 23.686 26.749 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.232 23.431 28.621 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.839 25.092 28.416 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.260 24.631 27.736 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.282 21.889 27.088 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.255 22.774 25.935 1.00 0.00 H new ATOM 0 HG23 VAL A 70 33.824 22.121 25.409 1.00 0.00 H new ATOM 1131 N LEU A 71 36.258 24.988 24.468 1.00 0.00 N ATOM 1132 CA LEU A 71 37.310 24.699 23.499 1.00 0.00 C ATOM 1133 C LEU A 71 38.615 24.283 24.175 1.00 0.00 C ATOM 1134 O LEU A 71 38.770 24.384 25.390 1.00 0.00 O ATOM 1135 CB LEU A 71 37.319 25.836 22.478 1.00 0.00 C ATOM 1136 CG LEU A 71 37.701 27.227 22.962 1.00 0.00 C ATOM 1137 CD1 LEU A 71 39.020 27.797 22.428 1.00 0.00 C ATOM 1138 CD2 LEU A 71 36.526 28.141 22.632 1.00 0.00 C ATOM 0 H LEU A 71 36.615 25.535 25.251 1.00 0.00 H new ATOM 0 HA LEU A 71 37.123 23.801 22.911 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.006 25.561 21.677 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.324 25.897 22.037 1.00 0.00 H new ATOM 0 HG LEU A 71 37.896 27.158 24.032 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.182 28.791 22.844 1.00 0.00 H new ATOM 0 HD12 LEU A 71 39.843 27.144 22.719 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.975 27.862 21.341 1.00 0.00 H new ATOM 0 HD21 LEU A 71 36.751 29.156 22.961 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.354 28.138 21.556 1.00 0.00 H new ATOM 0 HD23 LEU A 71 35.632 27.784 23.143 1.00 0.00 H new ATOM 1150 N ARG A 72 39.618 23.971 23.360 1.00 0.00 N ATOM 1151 CA ARG A 72 40.986 23.647 23.720 1.00 0.00 C ATOM 1152 C ARG A 72 41.135 22.263 24.346 1.00 0.00 C ATOM 1153 O ARG A 72 41.940 21.450 23.894 1.00 0.00 O ATOM 1154 CB ARG A 72 41.639 24.778 24.519 1.00 0.00 C ATOM 1155 CG ARG A 72 43.140 24.728 24.810 1.00 0.00 C ATOM 1156 CD ARG A 72 43.936 24.968 23.528 1.00 0.00 C ATOM 1157 NE ARG A 72 45.275 24.389 23.685 1.00 0.00 N ATOM 1158 CZ ARG A 72 45.813 23.437 22.909 1.00 0.00 C ATOM 1159 NH1 ARG A 72 45.322 23.100 21.708 1.00 0.00 N ATOM 1160 NH2 ARG A 72 46.911 22.885 23.440 1.00 0.00 N ATOM 0 H ARG A 72 39.479 23.937 22.350 1.00 0.00 H new ATOM 0 HA ARG A 72 41.554 23.572 22.792 1.00 0.00 H new ATOM 0 HB2 ARG A 72 41.440 25.709 23.988 1.00 0.00 H new ATOM 0 HB3 ARG A 72 41.123 24.841 25.477 1.00 0.00 H new ATOM 0 HG2 ARG A 72 43.399 25.482 25.553 1.00 0.00 H new ATOM 0 HG3 ARG A 72 43.403 23.759 25.234 1.00 0.00 H new ATOM 0 HD2 ARG A 72 43.427 24.515 22.678 1.00 0.00 H new ATOM 0 HD3 ARG A 72 44.009 26.036 23.324 1.00 0.00 H new ATOM 0 HE ARG A 72 45.847 24.742 24.452 1.00 0.00 H new ATOM 0 HH11 ARG A 72 44.498 23.577 21.342 1.00 0.00 H new ATOM 0 HH12 ARG A 72 45.773 22.367 21.160 1.00 0.00 H new ATOM 0 HH21 ARG A 72 47.253 23.201 24.347 1.00 0.00 H new ATOM 0 HH22 ARG A 72 47.406 22.148 22.937 1.00 0.00 H new ATOM 1174 N LEU A 73 40.331 22.047 25.388 1.00 0.00 N ATOM 1175 CA LEU A 73 40.348 20.861 26.215 1.00 0.00 C ATOM 1176 C LEU A 73 38.880 20.441 26.309 1.00 0.00 C ATOM 1177 O LEU A 73 37.966 21.235 26.107 1.00 0.00 O ATOM 1178 CB LEU A 73 41.248 20.990 27.452 1.00 0.00 C ATOM 1179 CG LEU A 73 41.180 22.239 28.323 1.00 0.00 C ATOM 1180 CD1 LEU A 73 39.814 22.513 28.964 1.00 0.00 C ATOM 1181 CD2 LEU A 73 42.221 22.295 29.442 1.00 0.00 C ATOM 0 H LEU A 73 39.627 22.724 25.682 1.00 0.00 H new ATOM 0 HA LEU A 73 40.876 19.998 25.810 1.00 0.00 H new ATOM 0 HB2 LEU A 73 41.037 20.136 28.095 1.00 0.00 H new ATOM 0 HB3 LEU A 73 42.279 20.888 27.114 1.00 0.00 H new ATOM 0 HG LEU A 73 41.392 23.011 27.584 1.00 0.00 H new ATOM 0 HD11 LEU A 73 39.869 23.422 29.563 1.00 0.00 H new ATOM 0 HD12 LEU A 73 39.064 22.638 28.183 1.00 0.00 H new ATOM 0 HD13 LEU A 73 39.537 21.674 29.602 1.00 0.00 H new ATOM 0 HD21 LEU A 73 42.097 23.218 30.009 1.00 0.00 H new ATOM 0 HD22 LEU A 73 42.088 21.441 30.106 1.00 0.00 H new ATOM 0 HD23 LEU A 73 43.221 22.267 29.010 1.00 0.00 H new ATOM 1193 N ARG A 74 38.590 19.159 26.477 1.00 0.00 N ATOM 1194 CA ARG A 74 37.289 18.592 26.755 1.00 0.00 C ATOM 1195 C ARG A 74 36.942 18.946 28.205 1.00 0.00 C ATOM 1196 O ARG A 74 37.653 18.682 29.180 1.00 0.00 O ATOM 1197 CB ARG A 74 37.229 17.067 26.716 1.00 0.00 C ATOM 1198 CG ARG A 74 35.783 16.575 26.623 1.00 0.00 C ATOM 1199 CD ARG A 74 35.643 15.110 27.021 1.00 0.00 C ATOM 1200 NE ARG A 74 34.351 14.542 26.624 1.00 0.00 N ATOM 1201 CZ ARG A 74 33.225 14.618 27.330 1.00 0.00 C ATOM 1202 NH1 ARG A 74 33.266 15.172 28.551 1.00 0.00 N ATOM 1203 NH2 ARG A 74 32.117 14.264 26.656 1.00 0.00 N ATOM 0 H ARG A 74 39.312 18.441 26.417 1.00 0.00 H new ATOM 0 HA ARG A 74 36.622 18.987 25.989 1.00 0.00 H new ATOM 0 HB2 ARG A 74 37.797 16.699 25.862 1.00 0.00 H new ATOM 0 HB3 ARG A 74 37.699 16.658 27.611 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.152 17.186 27.268 1.00 0.00 H new ATOM 0 HG3 ARG A 74 35.421 16.708 25.603 1.00 0.00 H new ATOM 0 HD2 ARG A 74 36.446 14.534 26.562 1.00 0.00 H new ATOM 0 HD3 ARG A 74 35.761 15.017 28.101 1.00 0.00 H new ATOM 0 HE ARG A 74 34.312 14.047 25.733 1.00 0.00 H new ATOM 0 HH11 ARG A 74 34.148 15.525 28.922 1.00 0.00 H new ATOM 0 HH12 ARG A 74 32.415 15.240 29.109 1.00 0.00 H new ATOM 0 HH21 ARG A 74 32.185 13.968 25.682 1.00 0.00 H new ATOM 0 HH22 ARG A 74 31.208 14.292 27.118 1.00 0.00 H new ATOM 1217 N GLY A 75 35.922 19.791 28.287 1.00 0.00 N ATOM 1218 CA GLY A 75 35.161 20.020 29.502 1.00 0.00 C ATOM 1219 C GLY A 75 33.693 19.624 29.315 1.00 0.00 C ATOM 1220 O GLY A 75 33.373 19.281 28.178 1.00 0.00 O ATOM 0 H GLY A 75 35.597 20.345 27.495 1.00 0.00 H new ATOM 0 HA2 GLY A 75 35.595 19.445 30.320 1.00 0.00 H new ATOM 0 HA3 GLY A 75 35.225 21.071 29.782 1.00 0.00 H new ATOM 1224 N GLY A 76 32.866 19.624 30.356 1.00 0.00 N ATOM 1225 CA GLY A 76 31.679 18.796 30.302 1.00 0.00 C ATOM 1226 C GLY A 76 31.783 17.705 31.360 1.00 0.00 C ATOM 1227 O GLY A 76 32.290 17.805 32.499 1.00 0.00 O ATOM 1228 OXT GLY A 76 31.310 16.603 30.996 1.00 0.00 O ATOM 0 H GLY A 76 32.991 20.166 31.211 1.00 0.00 H new ATOM 0 HA2 GLY A 76 30.790 19.402 30.473 1.00 0.00 H new ATOM 0 HA3 GLY A 76 31.576 18.351 29.312 1.00 0.00 H new TER 1232 GLY A 76