USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 55 THR OG1 : rot 120:sc= 0.689 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.624 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.0798 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.207 K(o=-0.29,f=-3.1!) USER MOD Set 3.1: A 7 THR OG1 : rot -78:sc= 0.845 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 1 MET CE :methyl -123:sc= 0 (180deg=-0.27) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.25 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 6 LYS NZ :NH3+ -157:sc= 0.203 (180deg=0.0704) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= 1.24 (180deg=1.17) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -55:sc= 0.198 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 2.07 (180deg=0.879) USER MOD Single : A 29 LYS NZ :NH3+ -134:sc= 2.19 (180deg=-1.32) USER MOD Single : A 31 GLN : amide:sc= -0.419 K(o=-0.42,f=-0.95) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00951 K(o=-0.0095,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= 0.632 K(o=0.63,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0686) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 100:sc= 0.832 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 69:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.011 -6.744 -4.645 1.00 9.67 N ATOM 2 CA MET A 1 11.725 -7.144 -3.247 1.00 10.38 C ATOM 3 C MET A 1 10.237 -7.523 -2.992 1.00 9.62 C ATOM 4 O MET A 1 9.418 -7.404 -3.923 1.00 9.62 O ATOM 5 CB MET A 1 12.325 -6.008 -2.325 1.00 13.77 C ATOM 6 CG MET A 1 11.483 -4.710 -2.136 1.00 16.29 C ATOM 7 SD MET A 1 12.265 -3.517 -1.097 1.00 17.17 S ATOM 8 CE MET A 1 10.897 -2.269 -1.300 1.00 16.11 C ATOM 0 H1 MET A 1 13.007 -6.458 -4.727 1.00 9.67 H new ATOM 0 H2 MET A 1 11.828 -7.547 -5.280 1.00 9.67 H new ATOM 0 H3 MET A 1 11.399 -5.946 -4.910 1.00 9.67 H new ATOM 0 HA MET A 1 12.211 -8.087 -2.998 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.507 -6.437 -1.339 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.295 -5.723 -2.732 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.293 -4.263 -3.112 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.514 -4.972 -1.711 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.309 -1.338 -1.691 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.152 -2.656 -1.995 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.429 -2.081 -0.333 1.00 16.11 H new ATOM 20 N GLN A 2 9.873 -8.015 -1.803 1.00 9.27 N ATOM 21 CA GLN A 2 8.480 -8.371 -1.441 1.00 9.07 C ATOM 22 C GLN A 2 8.137 -7.385 -0.323 1.00 8.72 C ATOM 23 O GLN A 2 8.994 -6.782 0.351 1.00 8.22 O ATOM 24 CB GLN A 2 8.369 -9.739 -0.834 1.00 14.46 C ATOM 25 CG GLN A 2 8.724 -10.833 -1.929 1.00 17.01 C ATOM 26 CD GLN A 2 8.984 -12.228 -1.361 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.437 -12.460 -0.281 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.583 -13.214 -2.149 1.00 19.49 N ATOM 0 H GLN A 2 10.540 -8.183 -1.049 1.00 9.27 H new ATOM 0 HA GLN A 2 7.844 -8.344 -2.325 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.045 -9.827 0.017 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.359 -9.901 -0.457 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.905 -10.892 -2.646 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.607 -10.507 -2.479 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.197 -13.006 -3.070 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.660 -14.181 -1.835 1.00 19.49 H new ATOM 37 N ILE A 3 6.772 -7.089 -0.265 1.00 5.87 N ATOM 38 CA ILE A 3 6.129 -6.374 0.808 1.00 5.07 C ATOM 39 C ILE A 3 4.818 -7.103 1.138 1.00 4.01 C ATOM 40 O ILE A 3 4.476 -8.062 0.452 1.00 4.61 O ATOM 41 CB ILE A 3 5.791 -4.949 0.566 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.937 -4.744 -0.774 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.071 -4.246 0.508 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.666 -3.305 -1.156 1.00 10.83 C ATOM 0 H ILE A 3 6.123 -7.368 -1.000 1.00 5.87 H new ATOM 0 HA ILE A 3 6.865 -6.361 1.612 1.00 5.07 H new ATOM 0 HB ILE A 3 5.155 -4.558 1.360 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.462 -5.228 -1.597 1.00 4.72 H new ATOM 0 HG13 ILE A 3 3.983 -5.258 -0.659 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.896 -3.185 0.331 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.599 -4.374 1.453 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.674 -4.654 -0.303 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.082 -3.277 -2.076 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.109 -2.815 -0.357 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.612 -2.785 -1.310 1.00 10.83 H new ATOM 56 N PHE A 4 4.193 -6.699 2.239 1.00 4.55 N ATOM 57 CA PHE A 4 2.976 -7.293 2.770 1.00 4.68 C ATOM 58 C PHE A 4 1.998 -6.231 2.961 1.00 5.30 C ATOM 59 O PHE A 4 2.298 -5.113 3.325 1.00 5.58 O ATOM 60 CB PHE A 4 3.168 -8.098 4.074 1.00 4.83 C ATOM 61 CG PHE A 4 3.941 -9.357 4.035 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.490 -10.495 3.331 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.163 -9.416 4.751 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.339 -11.669 3.352 1.00 9.10 C ATOM 65 CE2 PHE A 4 5.920 -10.571 4.834 1.00 10.61 C ATOM 66 CZ PHE A 4 5.510 -11.646 4.046 1.00 8.90 C ATOM 0 H PHE A 4 4.534 -5.921 2.804 1.00 4.55 H new ATOM 0 HA PHE A 4 2.631 -8.028 2.042 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.648 -7.440 4.798 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.178 -8.333 4.464 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.550 -10.490 2.799 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.516 -8.526 5.250 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.044 -12.560 2.818 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.785 -10.637 5.477 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.157 -12.508 3.983 1.00 8.90 H new ATOM 76 N VAL A 5 0.709 -6.513 2.574 1.00 4.44 N ATOM 77 CA VAL A 5 -0.359 -5.683 2.966 1.00 3.87 C ATOM 78 C VAL A 5 -1.281 -6.451 3.871 1.00 4.93 C ATOM 79 O VAL A 5 -1.928 -7.451 3.548 1.00 6.84 O ATOM 80 CB VAL A 5 -1.019 -5.103 1.696 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.346 -4.370 1.941 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.072 -4.157 0.983 1.00 9.13 C ATOM 0 H VAL A 5 0.442 -7.311 1.998 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.026 -4.828 3.554 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.244 -5.974 1.081 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.736 -3.997 0.994 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -3.066 -5.059 2.384 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -2.180 -3.533 2.620 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.557 -3.760 0.091 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.191 -3.335 1.649 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.831 -4.695 0.695 1.00 9.13 H new ATOM 92 N LYS A 6 -1.308 -6.051 5.157 1.00 6.04 N ATOM 93 CA LYS A 6 -1.975 -6.677 6.289 1.00 6.12 C ATOM 94 C LYS A 6 -3.258 -5.918 6.707 1.00 6.57 C ATOM 95 O LYS A 6 -3.243 -4.723 6.571 1.00 5.76 O ATOM 96 CB LYS A 6 -0.899 -6.910 7.403 1.00 7.45 C ATOM 97 CG LYS A 6 -1.330 -7.713 8.563 1.00 11.12 C ATOM 98 CD LYS A 6 -1.837 -6.792 9.675 1.00 14.54 C ATOM 99 CE LYS A 6 -2.515 -7.470 10.884 1.00 18.84 C ATOM 100 NZ LYS A 6 -3.311 -6.529 11.756 1.00 20.55 N ATOM 0 H LYS A 6 -0.816 -5.205 5.444 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.377 -7.657 6.031 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.036 -7.398 6.950 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.563 -5.938 7.764 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.118 -8.405 8.265 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.498 -8.315 8.929 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.994 -6.207 10.042 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.546 -6.089 9.237 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.176 -8.257 10.521 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.750 -7.951 11.493 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.403 -6.934 12.710 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.822 -5.613 11.814 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -4.257 -6.392 11.346 1.00 20.55 H new ATOM 114 N THR A 7 -4.268 -6.609 7.227 1.00 7.41 N ATOM 115 CA THR A 7 -5.597 -6.055 7.409 1.00 7.48 C ATOM 116 C THR A 7 -6.149 -6.286 8.824 1.00 8.75 C ATOM 117 O THR A 7 -5.477 -6.960 9.667 1.00 8.58 O ATOM 118 CB THR A 7 -6.546 -6.690 6.351 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.879 -8.018 6.671 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.011 -6.766 4.882 1.00 9.17 C ATOM 0 H THR A 7 -4.182 -7.577 7.535 1.00 7.41 H new ATOM 0 HA THR A 7 -5.536 -4.975 7.276 1.00 7.48 H new ATOM 0 HB THR A 7 -7.389 -6.000 6.388 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.136 -8.609 6.429 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.764 -7.228 4.244 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.796 -5.760 4.521 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.099 -7.363 4.857 1.00 9.17 H new ATOM 128 N LEU A 8 -7.373 -5.717 9.040 1.00 9.84 N ATOM 129 CA LEU A 8 -7.961 -5.563 10.396 1.00 14.15 C ATOM 130 C LEU A 8 -8.371 -6.962 10.986 1.00 17.37 C ATOM 131 O LEU A 8 -8.456 -7.152 12.217 1.00 17.01 O ATOM 132 CB LEU A 8 -9.203 -4.578 10.474 1.00 16.63 C ATOM 133 CG LEU A 8 -8.944 -3.113 9.912 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.199 -2.303 9.603 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.039 -2.375 10.986 1.00 18.59 C ATOM 0 H LEU A 8 -7.966 -5.360 8.290 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.170 -5.108 10.992 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.032 -5.020 9.921 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.519 -4.500 11.514 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.457 -3.201 8.941 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.914 -1.321 9.226 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.791 -2.823 8.850 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.789 -2.186 10.512 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.829 -1.360 10.649 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.563 -2.340 11.941 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.102 -2.918 11.107 1.00 18.59 H new ATOM 147 N THR A 9 -8.592 -7.975 10.128 1.00 18.33 N ATOM 148 CA THR A 9 -8.944 -9.346 10.586 1.00 19.24 C ATOM 149 C THR A 9 -7.835 -10.353 10.574 1.00 19.48 C ATOM 150 O THR A 9 -7.948 -11.555 10.744 1.00 23.14 O ATOM 151 CB THR A 9 -10.101 -9.903 9.741 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.843 -9.628 8.324 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.423 -9.076 9.939 1.00 19.70 C ATOM 0 H THR A 9 -8.535 -7.878 9.114 1.00 18.33 H new ATOM 0 HA THR A 9 -9.215 -9.209 11.633 1.00 19.24 H new ATOM 0 HB THR A 9 -10.186 -10.952 10.024 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.578 -9.984 7.783 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.215 -9.503 9.324 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.720 -9.110 10.987 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.252 -8.041 9.643 1.00 19.70 H new ATOM 161 N GLY A 10 -6.618 -9.882 10.341 1.00 19.43 N ATOM 162 CA GLY A 10 -5.426 -10.687 10.309 1.00 18.74 C ATOM 163 C GLY A 10 -5.127 -11.285 8.992 1.00 17.62 C ATOM 164 O GLY A 10 -4.118 -11.909 8.816 1.00 19.74 O ATOM 0 H GLY A 10 -6.438 -8.894 10.164 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.579 -10.073 10.616 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.523 -11.486 11.044 1.00 18.74 H new ATOM 168 N LYS A 11 -5.933 -11.041 7.855 1.00 13.56 N ATOM 169 CA LYS A 11 -5.703 -11.589 6.545 1.00 11.91 C ATOM 170 C LYS A 11 -4.575 -10.776 5.846 1.00 10.18 C ATOM 171 O LYS A 11 -4.593 -9.569 5.895 1.00 9.10 O ATOM 172 CB LYS A 11 -7.085 -11.450 5.697 1.00 13.43 C ATOM 173 CG LYS A 11 -7.192 -12.497 4.584 1.00 16.69 C ATOM 174 CD LYS A 11 -8.282 -12.085 3.565 1.00 17.92 C ATOM 175 CE LYS A 11 -7.880 -10.983 2.592 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.064 -10.384 2.013 1.00 21.93 N ATOM 0 H LYS A 11 -6.757 -10.441 7.892 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.402 -12.635 6.608 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.935 -11.552 6.372 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.143 -10.453 5.261 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.232 -12.600 4.079 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.433 -13.470 5.012 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.572 -12.966 2.992 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -9.165 -11.758 4.114 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.294 -10.224 3.110 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.247 -11.393 1.805 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.819 -9.937 1.107 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.782 -11.119 1.854 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.442 -9.665 2.662 1.00 21.93 H new ATOM 190 N THR A 12 -3.560 -11.447 5.288 1.00 9.63 N ATOM 191 CA THR A 12 -2.442 -10.764 4.689 1.00 9.85 C ATOM 192 C THR A 12 -2.326 -11.152 3.269 1.00 11.66 C ATOM 193 O THR A 12 -2.410 -12.356 2.871 1.00 12.33 O ATOM 194 CB THR A 12 -1.058 -11.058 5.284 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.052 -11.021 6.661 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.009 -10.077 4.773 1.00 9.63 C ATOM 0 H THR A 12 -3.504 -12.465 5.246 1.00 9.63 H new ATOM 0 HA THR A 12 -2.673 -9.714 4.868 1.00 9.85 H new ATOM 0 HB THR A 12 -0.813 -12.069 4.959 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.150 -11.216 6.990 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.958 -10.316 5.215 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.060 -10.151 3.688 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.294 -9.062 5.050 1.00 9.63 H new ATOM 204 N ILE A 13 -2.037 -10.225 2.322 1.00 10.42 N ATOM 205 CA ILE A 13 -1.592 -10.485 0.911 1.00 11.84 C ATOM 206 C ILE A 13 -0.087 -10.156 0.781 1.00 10.55 C ATOM 207 O ILE A 13 0.478 -9.273 1.422 1.00 11.92 O ATOM 208 CB ILE A 13 -2.510 -9.766 -0.088 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.218 -8.253 -0.099 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.998 -10.078 0.235 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.993 -7.540 -1.204 1.00 16.46 C ATOM 0 H ILE A 13 -2.108 -9.227 2.520 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.690 -11.541 0.658 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.309 -10.136 -1.094 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.483 -7.824 0.867 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.150 -8.089 -0.239 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.641 -9.563 -0.479 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.167 -11.153 0.167 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.231 -9.737 1.244 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.762 -6.475 -1.181 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.709 -7.952 -2.172 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.062 -7.683 -1.049 1.00 16.46 H new ATOM 223 N THR A 14 0.651 -11.012 -0.062 1.00 9.39 N ATOM 224 CA THR A 14 2.035 -10.802 -0.341 1.00 9.63 C ATOM 225 C THR A 14 2.094 -10.073 -1.651 1.00 11.20 C ATOM 226 O THR A 14 1.270 -10.302 -2.543 1.00 11.63 O ATOM 227 CB THR A 14 2.898 -12.049 -0.432 1.00 10.38 C ATOM 228 OG1 THR A 14 2.773 -12.850 0.686 1.00 16.30 O ATOM 229 CG2 THR A 14 4.400 -11.668 -0.478 1.00 11.66 C ATOM 0 H THR A 14 0.253 -11.829 -0.524 1.00 9.39 H new ATOM 0 HA THR A 14 2.449 -10.250 0.503 1.00 9.63 H new ATOM 0 HB THR A 14 2.566 -12.569 -1.330 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.964 -12.322 1.489 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.003 -12.574 -0.543 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.590 -11.042 -1.350 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.664 -11.120 0.427 1.00 11.66 H new ATOM 237 N LEU A 15 3.029 -9.117 -1.869 1.00 8.29 N ATOM 238 CA LEU A 15 3.089 -8.356 -3.132 1.00 9.03 C ATOM 239 C LEU A 15 4.540 -8.377 -3.560 1.00 8.59 C ATOM 240 O LEU A 15 5.454 -8.700 -2.755 1.00 7.79 O ATOM 241 CB LEU A 15 2.629 -6.916 -2.935 1.00 11.08 C ATOM 242 CG LEU A 15 1.201 -6.643 -2.483 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.117 -5.131 -2.171 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.182 -7.125 -3.536 1.00 15.27 C ATOM 0 H LEU A 15 3.745 -8.859 -1.190 1.00 8.29 H new ATOM 0 HA LEU A 15 2.432 -8.798 -3.880 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.296 -6.456 -2.206 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.779 -6.393 -3.879 1.00 11.08 H new ATOM 0 HG LEU A 15 0.943 -7.204 -1.585 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.108 -4.883 -1.841 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.828 -4.882 -1.383 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.356 -4.560 -3.069 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.829 -6.917 -3.186 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.355 -6.602 -4.476 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.299 -8.198 -3.691 1.00 15.27 H new ATOM 256 N GLU A 16 4.843 -8.120 -4.861 1.00 11.04 N ATOM 257 CA GLU A 16 6.218 -7.942 -5.355 1.00 11.50 C ATOM 258 C GLU A 16 6.363 -6.539 -5.831 1.00 10.13 C ATOM 259 O GLU A 16 5.463 -5.966 -6.441 1.00 9.83 O ATOM 260 CB GLU A 16 6.566 -8.961 -6.509 1.00 17.22 C ATOM 261 CG GLU A 16 8.080 -8.908 -6.850 1.00 23.33 C ATOM 262 CD GLU A 16 8.363 -9.917 -7.982 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.667 -11.115 -7.635 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.280 -9.527 -9.156 1.00 28.86 O ATOM 0 H GLU A 16 4.134 -8.032 -5.589 1.00 11.04 H new ATOM 0 HA GLU A 16 6.917 -8.142 -4.543 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.292 -9.971 -6.204 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.980 -8.726 -7.397 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.363 -7.902 -7.160 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.675 -9.150 -5.969 1.00 23.33 H new ATOM 271 N VAL A 17 7.525 -5.870 -5.579 1.00 8.99 N ATOM 272 CA VAL A 17 7.693 -4.480 -5.671 1.00 8.85 C ATOM 273 C VAL A 17 9.188 -4.313 -5.934 1.00 8.04 C ATOM 274 O VAL A 17 10.051 -5.172 -5.727 1.00 8.99 O ATOM 275 CB VAL A 17 7.272 -3.650 -4.414 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.754 -3.539 -4.492 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.791 -4.305 -3.119 1.00 10.54 C ATOM 0 H VAL A 17 8.378 -6.352 -5.297 1.00 8.99 H new ATOM 0 HA VAL A 17 7.036 -4.089 -6.448 1.00 8.85 H new ATOM 0 HB VAL A 17 7.713 -2.653 -4.397 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.387 -2.968 -3.640 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.473 -3.033 -5.416 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.315 -4.537 -4.476 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.484 -3.707 -2.261 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.378 -5.309 -3.028 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.879 -4.362 -3.151 1.00 10.54 H new ATOM 287 N GLU A 18 9.531 -3.029 -6.394 1.00 7.29 N ATOM 288 CA GLU A 18 10.870 -2.534 -6.467 1.00 7.08 C ATOM 289 C GLU A 18 10.771 -1.287 -5.696 1.00 6.45 C ATOM 290 O GLU A 18 9.612 -0.869 -5.491 1.00 5.28 O ATOM 291 CB GLU A 18 11.364 -2.264 -7.883 1.00 10.28 C ATOM 292 CG GLU A 18 11.794 -3.459 -8.708 1.00 12.65 C ATOM 293 CD GLU A 18 13.033 -4.104 -8.106 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.162 -3.588 -8.360 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.902 -5.086 -7.326 1.00 18.17 O ATOM 0 H GLU A 18 8.835 -2.354 -6.712 1.00 7.29 H new ATOM 0 HA GLU A 18 11.594 -3.257 -6.091 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.571 -1.748 -8.424 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.207 -1.576 -7.821 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.984 -4.187 -8.754 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.000 -3.146 -9.732 1.00 12.65 H new ATOM 302 N PRO A 19 11.783 -0.678 -5.170 1.00 7.24 N ATOM 303 CA PRO A 19 11.640 0.566 -4.348 1.00 7.07 C ATOM 304 C PRO A 19 11.390 1.748 -5.238 1.00 6.65 C ATOM 305 O PRO A 19 11.020 2.762 -4.678 1.00 6.37 O ATOM 306 CB PRO A 19 13.046 0.654 -3.659 1.00 7.61 C ATOM 307 CG PRO A 19 14.034 -0.068 -4.546 1.00 8.16 C ATOM 308 CD PRO A 19 13.146 -1.178 -5.240 1.00 7.49 C ATOM 0 HA PRO A 19 10.810 0.553 -3.642 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.342 1.694 -3.523 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.017 0.199 -2.669 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.485 0.603 -5.277 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.849 -0.506 -3.969 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.454 -1.338 -6.273 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.241 -2.135 -4.727 1.00 7.49 H new ATOM 316 N SER A 20 11.576 1.601 -6.530 1.00 6.80 N ATOM 317 CA SER A 20 11.352 2.555 -7.597 1.00 6.28 C ATOM 318 C SER A 20 9.935 2.680 -8.128 1.00 8.45 C ATOM 319 O SER A 20 9.555 3.599 -8.816 1.00 7.26 O ATOM 320 CB SER A 20 12.240 2.287 -8.828 1.00 8.57 C ATOM 321 OG SER A 20 12.282 0.887 -9.117 1.00 11.13 O ATOM 0 H SER A 20 11.925 0.717 -6.900 1.00 6.80 H new ATOM 0 HA SER A 20 11.603 3.485 -7.086 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.852 2.831 -9.689 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.249 2.657 -8.644 1.00 8.57 H new ATOM 0 HG SER A 20 12.848 0.732 -9.902 1.00 11.13 H new ATOM 327 N ASP A 21 9.104 1.705 -7.710 1.00 7.50 N ATOM 328 CA ASP A 21 7.637 1.760 -7.778 1.00 7.70 C ATOM 329 C ASP A 21 7.121 2.934 -6.929 1.00 7.08 C ATOM 330 O ASP A 21 7.689 3.468 -5.935 1.00 8.11 O ATOM 331 CB ASP A 21 7.048 0.437 -7.251 1.00 11.00 C ATOM 332 CG ASP A 21 7.245 -0.705 -8.188 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.744 -0.483 -9.338 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.964 -1.840 -7.785 1.00 14.36 O ATOM 0 H ASP A 21 9.448 0.834 -7.305 1.00 7.50 H new ATOM 0 HA ASP A 21 7.328 1.906 -8.813 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.509 0.197 -6.293 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.982 0.569 -7.067 1.00 11.00 H new ATOM 339 N THR A 22 5.993 3.461 -7.328 1.00 5.37 N ATOM 340 CA THR A 22 5.298 4.499 -6.631 1.00 6.01 C ATOM 341 C THR A 22 4.334 3.887 -5.635 1.00 8.01 C ATOM 342 O THR A 22 3.856 2.726 -5.700 1.00 8.11 O ATOM 343 CB THR A 22 4.512 5.479 -7.501 1.00 8.92 C ATOM 344 OG1 THR A 22 3.702 4.777 -8.382 1.00 10.22 O ATOM 345 CG2 THR A 22 5.528 6.401 -8.221 1.00 9.65 C ATOM 0 H THR A 22 5.519 3.164 -8.181 1.00 5.37 H new ATOM 0 HA THR A 22 6.089 5.080 -6.156 1.00 6.01 H new ATOM 0 HB THR A 22 3.849 6.103 -6.902 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.199 5.408 -8.937 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.992 7.112 -8.850 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.116 6.943 -7.480 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.192 5.797 -8.840 1.00 9.65 H new ATOM 353 N ILE A 23 3.851 4.705 -4.656 1.00 8.32 N ATOM 354 CA ILE A 23 2.724 4.217 -3.818 1.00 9.92 C ATOM 355 C ILE A 23 1.433 3.909 -4.639 1.00 10.01 C ATOM 356 O ILE A 23 0.699 2.943 -4.444 1.00 8.71 O ATOM 357 CB ILE A 23 2.395 5.095 -2.659 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.646 5.455 -1.811 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.218 4.580 -1.809 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.470 4.268 -1.238 1.00 12.30 C ATOM 0 H ILE A 23 4.196 5.640 -4.439 1.00 8.32 H new ATOM 0 HA ILE A 23 3.102 3.279 -3.411 1.00 9.92 H new ATOM 0 HB ILE A 23 2.041 6.030 -3.092 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.309 6.064 -2.426 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.323 6.078 -0.977 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.036 5.269 -0.984 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.324 4.512 -2.429 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.460 3.594 -1.412 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.315 4.654 -0.667 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.836 3.666 -0.587 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.838 3.651 -2.058 1.00 12.30 H new ATOM 372 N GLU A 24 1.180 4.758 -5.627 1.00 9.54 N ATOM 373 CA GLU A 24 0.185 4.524 -6.594 1.00 11.81 C ATOM 374 C GLU A 24 0.319 3.261 -7.353 1.00 11.14 C ATOM 375 O GLU A 24 -0.651 2.513 -7.589 1.00 10.62 O ATOM 376 CB GLU A 24 0.087 5.777 -7.536 1.00 19.24 C ATOM 377 CG GLU A 24 -0.821 5.560 -8.749 1.00 27.76 C ATOM 378 CD GLU A 24 -0.951 6.854 -9.636 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.110 7.391 -10.057 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.105 7.275 -9.910 1.00 36.51 O ATOM 0 H GLU A 24 1.684 5.635 -5.757 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.751 4.383 -6.053 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.285 6.625 -6.961 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.086 6.040 -7.883 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.426 4.745 -9.355 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.810 5.254 -8.409 1.00 27.76 H new ATOM 387 N ASN A 25 1.528 2.807 -7.814 1.00 9.43 N ATOM 388 CA ASN A 25 1.712 1.592 -8.567 1.00 10.96 C ATOM 389 C ASN A 25 1.404 0.326 -7.715 1.00 9.68 C ATOM 390 O ASN A 25 0.753 -0.650 -8.126 1.00 9.33 O ATOM 391 CB ASN A 25 3.140 1.339 -9.101 1.00 16.78 C ATOM 392 CG ASN A 25 3.619 2.422 -10.097 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.822 2.664 -10.069 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.755 2.895 -11.085 1.00 24.70 N ATOM 0 H ASN A 25 2.400 3.311 -7.651 1.00 9.43 H new ATOM 0 HA ASN A 25 1.025 1.746 -9.399 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.833 1.296 -8.261 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.171 0.365 -9.590 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.115 3.478 -11.841 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.764 2.658 -11.052 1.00 24.70 H new ATOM 401 N VAL A 26 1.790 0.396 -6.429 1.00 6.52 N ATOM 402 CA VAL A 26 1.497 -0.647 -5.403 1.00 5.53 C ATOM 403 C VAL A 26 0.010 -0.803 -5.195 1.00 4.42 C ATOM 404 O VAL A 26 -0.490 -1.879 -4.923 1.00 3.40 O ATOM 405 CB VAL A 26 2.205 -0.351 -4.094 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.823 -1.396 -3.061 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.704 -0.454 -4.346 1.00 8.12 C ATOM 0 H VAL A 26 2.321 1.184 -6.058 1.00 6.52 H new ATOM 0 HA VAL A 26 1.883 -1.595 -5.778 1.00 5.53 H new ATOM 0 HB VAL A 26 1.928 0.639 -3.732 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.332 -1.182 -2.121 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.745 -1.374 -2.903 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.117 -2.384 -3.416 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.243 -0.246 -3.422 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.947 -1.459 -4.690 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.996 0.270 -5.107 1.00 8.12 H new ATOM 417 N LYS A 27 -0.860 0.234 -5.355 1.00 2.64 N ATOM 418 CA LYS A 27 -2.263 0.010 -5.323 1.00 4.14 C ATOM 419 C LYS A 27 -2.911 -0.571 -6.549 1.00 5.58 C ATOM 420 O LYS A 27 -4.015 -1.069 -6.430 1.00 4.11 O ATOM 421 CB LYS A 27 -3.043 1.331 -5.012 1.00 3.97 C ATOM 422 CG LYS A 27 -2.614 1.881 -3.648 1.00 7.45 C ATOM 423 CD LYS A 27 -3.060 3.333 -3.435 1.00 9.02 C ATOM 424 CE LYS A 27 -2.695 3.834 -2.009 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.140 5.193 -1.830 1.00 15.47 N ATOM 0 H LYS A 27 -0.582 1.204 -5.503 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.334 -0.744 -4.539 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.849 2.070 -5.789 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.116 1.139 -5.015 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.033 1.256 -2.859 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.529 1.821 -3.560 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.587 3.974 -4.180 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.137 3.410 -3.585 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.157 3.191 -1.260 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.617 3.774 -1.859 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.479 5.695 -1.204 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.174 5.672 -2.753 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.089 5.194 -1.404 1.00 15.47 H new ATOM 439 N ALA A 28 -2.237 -0.551 -7.723 1.00 6.61 N ATOM 440 CA ALA A 28 -2.653 -1.240 -8.900 1.00 7.74 C ATOM 441 C ALA A 28 -2.559 -2.742 -8.630 1.00 9.17 C ATOM 442 O ALA A 28 -3.489 -3.515 -8.996 1.00 11.45 O ATOM 443 CB ALA A 28 -1.782 -0.869 -10.028 1.00 7.68 C ATOM 0 H ALA A 28 -1.368 -0.031 -7.849 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.678 -0.972 -9.156 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.104 -1.398 -10.925 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.845 0.206 -10.198 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.752 -1.140 -9.797 1.00 7.68 H new ATOM 449 N LYS A 29 -1.407 -3.141 -8.017 1.00 8.96 N ATOM 450 CA LYS A 29 -1.107 -4.481 -7.633 1.00 7.90 C ATOM 451 C LYS A 29 -2.049 -4.985 -6.612 1.00 6.92 C ATOM 452 O LYS A 29 -2.683 -6.032 -6.813 1.00 6.87 O ATOM 453 CB LYS A 29 0.283 -4.600 -7.063 1.00 10.28 C ATOM 454 CG LYS A 29 1.297 -4.055 -8.086 1.00 14.94 C ATOM 455 CD LYS A 29 2.751 -4.419 -7.751 1.00 19.69 C ATOM 456 CE LYS A 29 3.793 -3.523 -8.502 1.00 22.63 C ATOM 457 NZ LYS A 29 5.166 -4.030 -8.231 1.00 24.98 N ATOM 0 H LYS A 29 -0.660 -2.487 -7.785 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.192 -5.073 -8.544 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.355 -4.043 -6.129 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.506 -5.641 -6.831 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.051 -4.444 -9.074 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.204 -2.970 -8.138 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.905 -4.324 -6.676 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.927 -5.464 -8.007 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.594 -3.535 -9.574 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.704 -2.488 -8.172 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.790 -3.233 -7.994 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.139 -4.697 -7.434 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 5.530 -4.515 -9.076 1.00 24.98 H new ATOM 471 N ILE A 30 -2.351 -4.192 -5.592 1.00 4.57 N ATOM 472 CA ILE A 30 -3.408 -4.575 -4.652 1.00 5.58 C ATOM 473 C ILE A 30 -4.785 -4.664 -5.313 1.00 7.26 C ATOM 474 O ILE A 30 -5.607 -5.494 -4.931 1.00 9.46 O ATOM 475 CB ILE A 30 -3.546 -3.604 -3.533 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.181 -3.642 -2.777 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.762 -3.860 -2.623 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.018 -2.493 -1.776 1.00 2.00 C ATOM 0 H ILE A 30 -1.895 -3.301 -5.393 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.098 -5.553 -4.285 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.757 -2.605 -3.916 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.091 -4.592 -2.249 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.369 -3.602 -3.503 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.790 -3.109 -1.833 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.677 -3.801 -3.213 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.681 -4.852 -2.178 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.049 -2.575 -1.283 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.078 -1.540 -2.303 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.811 -2.545 -1.030 1.00 2.00 H new ATOM 490 N GLN A 31 -5.078 -3.880 -6.415 1.00 7.06 N ATOM 491 CA GLN A 31 -6.351 -4.001 -7.078 1.00 8.67 C ATOM 492 C GLN A 31 -6.489 -5.285 -7.848 1.00 10.90 C ATOM 493 O GLN A 31 -7.491 -6.015 -7.849 1.00 9.63 O ATOM 494 CB GLN A 31 -6.591 -2.867 -8.133 1.00 9.12 C ATOM 495 CG GLN A 31 -8.059 -2.744 -8.435 1.00 10.76 C ATOM 496 CD GLN A 31 -8.375 -1.768 -9.553 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.473 -1.188 -10.207 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.682 -1.565 -9.810 1.00 14.76 N ATOM 0 H GLN A 31 -4.445 -3.191 -6.820 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.071 -3.949 -6.261 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.209 -1.919 -7.753 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.041 -3.088 -9.048 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.449 -3.726 -8.702 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.581 -2.428 -7.532 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.391 -2.051 -9.261 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.962 -0.925 -10.553 1.00 14.76 H new ATOM 507 N ASP A 32 -5.389 -5.680 -8.502 1.00 10.93 N ATOM 508 CA ASP A 32 -5.266 -6.965 -9.184 1.00 14.01 C ATOM 509 C ASP A 32 -5.430 -8.115 -8.210 1.00 14.04 C ATOM 510 O ASP A 32 -6.011 -9.162 -8.531 1.00 13.39 O ATOM 511 CB ASP A 32 -3.809 -7.025 -9.752 1.00 18.01 C ATOM 512 CG ASP A 32 -3.795 -8.076 -10.873 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.668 -8.059 -11.785 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.868 -8.978 -10.783 1.00 26.29 O ATOM 0 H ASP A 32 -4.550 -5.104 -8.570 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.030 -7.051 -9.957 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.506 -6.051 -10.136 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.102 -7.292 -8.967 1.00 18.01 H new ATOM 519 N LYS A 33 -4.886 -8.060 -6.958 1.00 14.22 N ATOM 520 CA LYS A 33 -5.043 -9.113 -5.947 1.00 14.00 C ATOM 521 C LYS A 33 -6.404 -9.227 -5.251 1.00 12.37 C ATOM 522 O LYS A 33 -6.990 -10.292 -5.108 1.00 12.17 O ATOM 523 CB LYS A 33 -4.031 -8.788 -4.801 1.00 18.62 C ATOM 524 CG LYS A 33 -2.580 -8.948 -5.095 1.00 24.00 C ATOM 525 CD LYS A 33 -2.134 -10.421 -5.338 1.00 27.61 C ATOM 526 CE LYS A 33 -0.614 -10.574 -5.572 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.332 -11.999 -5.855 1.00 30.06 N ATOM 0 H LYS A 33 -4.325 -7.272 -6.635 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.897 -10.045 -6.493 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.198 -7.758 -4.488 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.273 -9.424 -3.949 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.332 -8.356 -5.976 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.006 -8.539 -4.264 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.424 -11.027 -4.479 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.668 -10.816 -6.202 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.293 -9.950 -6.406 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.059 -10.243 -4.694 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.688 -12.126 -6.016 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.629 -12.579 -5.045 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.856 -12.295 -6.703 1.00 30.06 H new ATOM 541 N GLU A 34 -6.914 -8.064 -4.790 1.00 10.11 N ATOM 542 CA GLU A 34 -8.054 -8.042 -3.890 1.00 10.07 C ATOM 543 C GLU A 34 -9.279 -7.287 -4.411 1.00 9.32 C ATOM 544 O GLU A 34 -10.303 -7.438 -3.721 1.00 11.61 O ATOM 545 CB GLU A 34 -7.583 -7.251 -2.605 1.00 14.77 C ATOM 546 CG GLU A 34 -6.703 -8.197 -1.782 1.00 18.75 C ATOM 547 CD GLU A 34 -7.405 -9.361 -1.019 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.249 -8.982 -0.186 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.106 -10.561 -1.276 1.00 25.19 O ATOM 0 H GLU A 34 -6.548 -7.143 -5.032 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.353 -9.079 -3.734 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.027 -6.357 -2.887 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.442 -6.921 -2.021 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.963 -8.634 -2.452 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.158 -7.598 -1.052 1.00 18.75 H new ATOM 556 N GLY A 35 -9.217 -6.578 -5.549 1.00 7.22 N ATOM 557 CA GLY A 35 -10.409 -6.055 -6.173 1.00 6.29 C ATOM 558 C GLY A 35 -11.006 -4.839 -5.481 1.00 6.93 C ATOM 559 O GLY A 35 -12.225 -4.711 -5.375 1.00 7.41 O ATOM 0 H GLY A 35 -8.351 -6.363 -6.042 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.177 -5.792 -7.205 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.161 -6.843 -6.206 1.00 6.29 H new ATOM 563 N ILE A 36 -10.087 -3.950 -5.074 1.00 5.86 N ATOM 564 CA ILE A 36 -10.411 -2.750 -4.313 1.00 6.07 C ATOM 565 C ILE A 36 -9.911 -1.499 -4.992 1.00 6.36 C ATOM 566 O ILE A 36 -8.726 -1.526 -5.364 1.00 6.18 O ATOM 567 CB ILE A 36 -9.891 -2.702 -2.851 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.181 -3.995 -2.061 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.429 -1.462 -2.053 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.081 -4.249 -0.933 1.00 9.49 C ATOM 0 H ILE A 36 -9.091 -4.052 -5.269 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.499 -2.795 -4.276 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.810 -2.603 -2.949 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.167 -3.928 -1.601 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.205 -4.843 -2.745 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.032 -1.482 -1.038 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.112 -0.545 -2.549 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.518 -1.497 -2.017 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.316 -5.168 -0.396 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.099 -4.341 -1.397 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.076 -3.412 -0.235 1.00 9.49 H new ATOM 582 N PRO A 37 -10.682 -0.395 -5.259 1.00 8.65 N ATOM 583 CA PRO A 37 -10.231 0.623 -6.204 1.00 9.18 C ATOM 584 C PRO A 37 -9.028 1.398 -5.767 1.00 9.85 C ATOM 585 O PRO A 37 -9.039 1.717 -4.603 1.00 8.51 O ATOM 586 CB PRO A 37 -11.396 1.597 -6.320 1.00 11.42 C ATOM 587 CG PRO A 37 -12.609 0.800 -6.077 1.00 9.27 C ATOM 588 CD PRO A 37 -12.118 -0.291 -5.060 1.00 8.33 C ATOM 0 HA PRO A 37 -9.941 0.128 -7.131 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.306 2.404 -5.592 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.423 2.059 -7.307 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.414 1.406 -5.661 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.989 0.353 -6.996 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.352 -0.004 -4.035 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.609 -1.247 -5.243 1.00 8.33 H new ATOM 596 N PRO A 38 -7.985 1.825 -6.504 1.00 8.71 N ATOM 597 CA PRO A 38 -6.837 2.550 -5.960 1.00 9.08 C ATOM 598 C PRO A 38 -7.067 3.823 -5.194 1.00 9.28 C ATOM 599 O PRO A 38 -6.136 4.224 -4.496 1.00 6.50 O ATOM 600 CB PRO A 38 -5.926 2.828 -7.209 1.00 10.31 C ATOM 601 CG PRO A 38 -6.259 1.650 -8.154 1.00 10.81 C ATOM 602 CD PRO A 38 -7.675 1.169 -7.825 1.00 12.00 C ATOM 0 HA PRO A 38 -6.411 1.922 -5.178 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.154 3.790 -7.668 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.869 2.844 -6.942 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.196 1.966 -9.195 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.541 0.841 -8.023 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.387 1.467 -8.595 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.721 0.082 -7.752 1.00 12.00 H new ATOM 610 N ASP A 39 -8.168 4.473 -5.337 1.00 11.20 N ATOM 611 CA ASP A 39 -8.554 5.720 -4.677 1.00 14.96 C ATOM 612 C ASP A 39 -9.391 5.437 -3.426 1.00 13.99 C ATOM 613 O ASP A 39 -9.625 6.369 -2.638 1.00 13.75 O ATOM 614 CB ASP A 39 -9.430 6.506 -5.717 1.00 24.16 C ATOM 615 CG ASP A 39 -8.603 7.100 -6.879 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.124 6.301 -7.711 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.457 8.341 -6.932 1.00 35.55 O ATOM 0 H ASP A 39 -8.898 4.138 -5.966 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.674 6.282 -4.366 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.189 5.837 -6.123 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.957 7.311 -5.205 1.00 24.16 H new ATOM 622 N GLN A 40 -9.734 4.144 -3.126 1.00 11.60 N ATOM 623 CA GLN A 40 -10.350 3.788 -1.867 1.00 10.76 C ATOM 624 C GLN A 40 -9.369 3.189 -0.871 1.00 8.01 C ATOM 625 O GLN A 40 -9.740 2.717 0.165 1.00 8.96 O ATOM 626 CB GLN A 40 -11.460 2.701 -2.213 1.00 11.14 C ATOM 627 CG GLN A 40 -12.363 2.192 -1.073 1.00 14.85 C ATOM 628 CD GLN A 40 -13.497 1.357 -1.677 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.428 0.143 -1.692 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.489 2.029 -2.208 1.00 18.16 N ATOM 0 H GLN A 40 -9.583 3.356 -3.756 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.754 4.686 -1.399 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.104 3.118 -2.987 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.956 1.838 -2.649 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.784 1.591 -0.372 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.771 3.032 -0.511 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.495 3.048 -2.166 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.255 1.533 -2.663 1.00 18.16 H new ATOM 639 N GLN A 41 -8.102 3.298 -1.201 1.00 6.52 N ATOM 640 CA GLN A 41 -7.055 2.596 -0.554 1.00 3.87 C ATOM 641 C GLN A 41 -6.178 3.625 0.158 1.00 4.79 C ATOM 642 O GLN A 41 -5.577 4.522 -0.488 1.00 6.34 O ATOM 643 CB GLN A 41 -6.146 1.727 -1.455 1.00 4.20 C ATOM 644 CG GLN A 41 -6.826 0.393 -2.048 1.00 3.20 C ATOM 645 CD GLN A 41 -5.864 -0.323 -2.912 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.711 -0.502 -2.560 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.319 -0.850 -4.118 1.00 7.13 N ATOM 0 H GLN A 41 -7.777 3.903 -1.955 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.547 1.889 0.114 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.800 2.338 -2.288 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.264 1.440 -0.882 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.147 -0.255 -1.232 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.717 0.652 -2.619 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.285 -0.698 -4.409 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.687 -1.388 -4.710 1.00 7.13 H new ATOM 656 N ARG A 42 -6.081 3.516 1.473 1.00 5.73 N ATOM 657 CA ARG A 42 -5.000 4.168 2.144 1.00 6.97 C ATOM 658 C ARG A 42 -4.102 3.097 2.699 1.00 7.15 C ATOM 659 O ARG A 42 -4.590 2.118 3.341 1.00 7.33 O ATOM 660 CB ARG A 42 -5.571 5.050 3.285 1.00 13.23 C ATOM 661 CG ARG A 42 -6.274 6.324 2.827 1.00 21.27 C ATOM 662 CD ARG A 42 -7.080 6.984 3.985 1.00 26.14 C ATOM 663 NE ARG A 42 -7.536 8.269 3.352 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.322 9.175 3.953 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.742 9.012 5.193 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.661 10.288 3.286 1.00 36.39 N ATOM 0 H ARG A 42 -6.723 2.996 2.071 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.437 4.809 1.465 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.274 4.454 3.867 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.756 5.324 3.954 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.536 7.031 2.448 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.947 6.092 2.001 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.919 6.365 4.303 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.461 7.159 4.865 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.227 8.466 2.400 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.470 8.181 5.719 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.339 9.717 5.626 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.322 10.436 2.335 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.258 10.986 3.729 1.00 36.39 H new ATOM 680 N LEU A 43 -2.740 3.222 2.560 1.00 4.65 N ATOM 681 CA LEU A 43 -1.789 2.234 3.091 1.00 3.51 C ATOM 682 C LEU A 43 -0.931 2.946 4.190 1.00 5.56 C ATOM 683 O LEU A 43 -0.379 3.997 3.948 1.00 4.19 O ATOM 684 CB LEU A 43 -0.768 1.743 1.965 1.00 3.74 C ATOM 685 CG LEU A 43 -1.447 0.894 0.960 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.608 0.774 -0.327 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.733 -0.493 1.470 1.00 6.41 C ATOM 0 H LEU A 43 -2.296 4.005 2.081 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.352 1.381 3.470 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.322 2.607 1.473 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.046 1.184 2.427 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.394 1.390 0.747 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.133 0.145 -1.046 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.455 1.765 -0.755 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.358 0.328 -0.091 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.231 -1.071 0.692 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.797 -0.981 1.742 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.378 -0.433 2.346 1.00 6.41 H new ATOM 699 N ILE A 44 -0.890 2.331 5.359 1.00 4.58 N ATOM 700 CA ILE A 44 -0.159 2.973 6.467 1.00 5.55 C ATOM 701 C ILE A 44 1.182 2.179 6.716 1.00 5.46 C ATOM 702 O ILE A 44 1.243 0.974 6.671 1.00 6.04 O ATOM 703 CB ILE A 44 -1.022 3.013 7.717 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.443 3.600 7.496 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.258 3.608 8.889 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.480 4.991 6.885 1.00 13.90 C ATOM 0 H ILE A 44 -1.326 1.434 5.573 1.00 4.58 H new ATOM 0 HA ILE A 44 0.083 4.004 6.208 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.239 1.979 7.987 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.003 2.922 6.851 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.961 3.628 8.455 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.899 3.625 9.770 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.624 3.002 9.094 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.049 4.625 8.645 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.516 5.311 6.771 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.954 5.689 7.537 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.997 4.972 5.908 1.00 13.90 H new ATOM 718 N PHE A 45 2.278 2.816 6.923 1.00 6.75 N ATOM 719 CA PHE A 45 3.540 2.202 7.141 1.00 4.70 C ATOM 720 C PHE A 45 4.218 3.187 8.107 1.00 6.34 C ATOM 721 O PHE A 45 4.257 4.377 7.758 1.00 5.45 O ATOM 722 CB PHE A 45 4.372 2.148 5.869 1.00 5.51 C ATOM 723 CG PHE A 45 5.903 1.845 6.011 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.286 0.570 6.415 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.886 2.834 5.824 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.640 0.193 6.478 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.223 2.481 5.977 1.00 6.64 C ATOM 728 CZ PHE A 45 8.654 1.197 6.284 1.00 6.84 C ATOM 0 H PHE A 45 2.322 3.835 6.946 1.00 6.75 H new ATOM 0 HA PHE A 45 3.442 1.177 7.498 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.939 1.389 5.217 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.266 3.105 5.358 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.526 -0.147 6.687 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.609 3.846 5.567 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.915 -0.834 6.669 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.970 3.251 5.850 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.704 0.962 6.373 1.00 6.84 H new ATOM 738 N ALA A 46 4.758 2.757 9.251 1.00 6.53 N ATOM 739 CA ALA A 46 5.601 3.540 10.118 1.00 7.15 C ATOM 740 C ALA A 46 4.954 4.702 10.798 1.00 9.00 C ATOM 741 O ALA A 46 5.513 5.714 11.192 1.00 11.15 O ATOM 742 CB ALA A 46 6.828 3.986 9.432 1.00 8.99 C ATOM 0 H ALA A 46 4.605 1.811 9.601 1.00 6.53 H new ATOM 0 HA ALA A 46 5.844 2.839 10.917 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.436 4.573 10.120 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.395 3.117 9.098 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.561 4.598 8.570 1.00 8.99 H new ATOM 748 N GLY A 47 3.609 4.536 10.961 1.00 9.35 N ATOM 749 CA GLY A 47 2.706 5.595 11.493 1.00 11.68 C ATOM 750 C GLY A 47 2.282 6.676 10.505 1.00 11.14 C ATOM 751 O GLY A 47 1.533 7.588 10.856 1.00 13.93 O ATOM 0 H GLY A 47 3.125 3.669 10.728 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.808 5.116 11.883 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.202 6.076 12.336 1.00 11.68 H new ATOM 755 N LYS A 48 2.752 6.559 9.217 1.00 10.47 N ATOM 756 CA LYS A 48 2.534 7.592 8.263 1.00 8.82 C ATOM 757 C LYS A 48 1.551 7.016 7.249 1.00 7.68 C ATOM 758 O LYS A 48 1.443 5.816 6.955 1.00 6.47 O ATOM 759 CB LYS A 48 3.861 7.885 7.527 1.00 9.74 C ATOM 760 CG LYS A 48 5.096 8.143 8.444 1.00 14.14 C ATOM 761 CD LYS A 48 6.365 8.426 7.542 1.00 16.32 C ATOM 762 CE LYS A 48 7.748 8.445 8.210 1.00 20.04 C ATOM 763 NZ LYS A 48 7.663 9.326 9.388 1.00 23.92 N ATOM 0 H LYS A 48 3.271 5.755 8.865 1.00 10.47 H new ATOM 0 HA LYS A 48 2.167 8.505 8.733 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.086 7.043 6.872 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.717 8.756 6.888 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.905 8.992 9.101 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.275 7.279 9.084 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.387 7.672 6.755 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.218 9.390 7.056 1.00 16.32 H new ATOM 0 HE2 LYS A 48 8.044 7.438 8.505 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.504 8.808 7.514 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.618 9.496 9.764 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.233 10.232 9.113 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.078 8.873 10.119 1.00 23.92 H new ATOM 777 N GLN A 49 0.738 7.842 6.600 1.00 8.89 N ATOM 778 CA GLN A 49 -0.134 7.458 5.579 1.00 7.18 C ATOM 779 C GLN A 49 0.538 7.811 4.207 1.00 8.23 C ATOM 780 O GLN A 49 0.709 8.981 3.848 1.00 9.70 O ATOM 781 CB GLN A 49 -1.485 8.179 5.652 1.00 11.67 C ATOM 782 CG GLN A 49 -2.523 7.821 4.569 1.00 15.82 C ATOM 783 CD GLN A 49 -3.772 8.765 4.634 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.424 8.850 5.654 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.028 9.491 3.539 1.00 20.67 N ATOM 0 H GLN A 49 0.693 8.840 6.808 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.323 6.390 5.685 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.927 7.975 6.627 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.300 9.252 5.604 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.062 7.894 3.584 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.841 6.786 4.697 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.448 9.381 2.707 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.803 10.154 3.537 1.00 20.67 H new ATOM 794 N LEU A 50 0.925 6.792 3.469 1.00 6.51 N ATOM 795 CA LEU A 50 1.621 6.806 2.197 1.00 7.41 C ATOM 796 C LEU A 50 1.003 7.541 1.031 1.00 8.27 C ATOM 797 O LEU A 50 -0.046 7.163 0.542 1.00 8.34 O ATOM 798 CB LEU A 50 2.078 5.345 1.842 1.00 7.13 C ATOM 799 CG LEU A 50 2.845 4.579 2.988 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.025 3.135 2.529 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.221 5.232 3.253 1.00 9.11 C ATOM 0 H LEU A 50 0.742 5.836 3.775 1.00 6.51 H new ATOM 0 HA LEU A 50 2.479 7.455 2.370 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.198 4.764 1.566 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.721 5.387 0.963 1.00 7.13 H new ATOM 0 HG LEU A 50 2.278 4.621 3.918 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.553 2.572 3.298 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.048 2.684 2.356 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.602 3.116 1.605 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.734 4.689 4.047 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.821 5.198 2.344 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.079 6.269 3.556 1.00 9.11 H new ATOM 813 N GLU A 51 1.605 8.617 0.485 1.00 9.43 N ATOM 814 CA GLU A 51 1.276 9.464 -0.646 1.00 11.90 C ATOM 815 C GLU A 51 1.533 8.880 -2.068 1.00 11.49 C ATOM 816 O GLU A 51 2.647 8.558 -2.430 1.00 9.88 O ATOM 817 CB GLU A 51 1.932 10.942 -0.485 1.00 16.56 C ATOM 818 CG GLU A 51 1.293 11.761 0.734 1.00 26.06 C ATOM 819 CD GLU A 51 -0.200 11.972 0.648 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.571 12.716 -0.326 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.014 11.600 1.556 1.00 32.13 O ATOM 0 H GLU A 51 2.471 8.950 0.909 1.00 9.43 H new ATOM 0 HA GLU A 51 0.189 9.531 -0.600 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.007 10.845 -0.331 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.792 11.502 -1.409 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.518 11.236 1.662 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.780 12.735 0.793 1.00 26.06 H new ATOM 828 N ASP A 52 0.464 8.763 -2.885 1.00 12.71 N ATOM 829 CA ASP A 52 0.422 8.188 -4.196 1.00 16.56 C ATOM 830 C ASP A 52 1.431 8.704 -5.220 1.00 15.83 C ATOM 831 O ASP A 52 1.919 7.951 -6.047 1.00 17.21 O ATOM 832 CB ASP A 52 -1.076 8.408 -4.599 1.00 21.05 C ATOM 833 CG ASP A 52 -2.054 7.704 -3.733 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.206 6.467 -3.944 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.761 8.357 -2.942 1.00 25.82 O ATOM 0 H ASP A 52 -0.453 9.104 -2.597 1.00 12.71 H new ATOM 0 HA ASP A 52 0.738 7.145 -4.181 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.292 9.476 -4.577 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.215 8.076 -5.628 1.00 21.05 H new ATOM 840 N GLY A 53 1.751 10.024 -5.110 1.00 15.00 N ATOM 841 CA GLY A 53 2.790 10.725 -5.906 1.00 11.77 C ATOM 842 C GLY A 53 4.167 10.809 -5.319 1.00 11.10 C ATOM 843 O GLY A 53 5.018 11.525 -5.801 1.00 11.25 O ATOM 0 H GLY A 53 1.280 10.641 -4.449 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.866 10.228 -6.873 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.442 11.740 -6.095 1.00 11.77 H new ATOM 847 N ARG A 54 4.456 9.929 -4.359 1.00 8.53 N ATOM 848 CA ARG A 54 5.779 9.568 -4.016 1.00 9.05 C ATOM 849 C ARG A 54 6.106 8.062 -4.227 1.00 8.96 C ATOM 850 O ARG A 54 5.309 7.192 -4.560 1.00 11.60 O ATOM 851 CB ARG A 54 6.100 9.851 -2.559 1.00 7.97 C ATOM 852 CG ARG A 54 5.592 11.225 -2.061 1.00 9.62 C ATOM 853 CD ARG A 54 6.154 11.655 -0.694 1.00 12.20 C ATOM 854 NE ARG A 54 5.615 12.932 -0.318 1.00 18.23 N ATOM 855 CZ ARG A 54 5.769 13.359 0.966 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.342 12.672 1.956 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.119 14.492 1.328 1.00 23.38 N ATOM 0 H ARG A 54 3.744 9.454 -3.804 1.00 8.53 H new ATOM 0 HA ARG A 54 6.377 10.180 -4.692 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.662 9.067 -1.942 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.180 9.801 -2.419 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.849 11.983 -2.800 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.504 11.196 -2.000 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.904 10.910 0.061 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.242 11.710 -0.740 1.00 12.20 H new ATOM 0 HE ARG A 54 5.125 13.510 -1.001 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.712 11.738 1.781 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.410 13.081 2.888 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.543 14.989 0.649 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.206 14.848 2.280 1.00 23.38 H new ATOM 871 N THR A 55 7.434 7.742 -4.013 1.00 9.05 N ATOM 872 CA THR A 55 7.953 6.360 -4.186 1.00 9.03 C ATOM 873 C THR A 55 8.231 5.642 -2.888 1.00 8.15 C ATOM 874 O THR A 55 8.420 6.210 -1.800 1.00 5.91 O ATOM 875 CB THR A 55 9.168 6.272 -5.122 1.00 11.15 C ATOM 876 OG1 THR A 55 10.180 7.091 -4.539 1.00 11.95 O ATOM 877 CG2 THR A 55 8.789 6.765 -6.485 1.00 11.71 C ATOM 0 H THR A 55 8.140 8.420 -3.726 1.00 9.05 H new ATOM 0 HA THR A 55 7.128 5.837 -4.670 1.00 9.03 H new ATOM 0 HB THR A 55 9.524 5.248 -5.237 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.966 6.543 -4.333 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.652 6.702 -7.148 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.981 6.151 -6.882 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.458 7.801 -6.418 1.00 11.71 H new ATOM 885 N LEU A 56 8.369 4.322 -3.009 1.00 6.91 N ATOM 886 CA LEU A 56 8.657 3.347 -1.957 1.00 8.29 C ATOM 887 C LEU A 56 10.010 3.615 -1.302 1.00 8.05 C ATOM 888 O LEU A 56 10.220 3.689 -0.079 1.00 10.17 O ATOM 889 CB LEU A 56 8.579 1.875 -2.458 1.00 6.60 C ATOM 890 CG LEU A 56 7.194 1.179 -2.466 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.321 1.641 -3.666 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.352 -0.359 -2.553 1.00 8.64 C ATOM 0 H LEU A 56 8.275 3.870 -3.919 1.00 6.91 H new ATOM 0 HA LEU A 56 7.875 3.474 -1.208 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.972 1.847 -3.474 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.249 1.277 -1.841 1.00 6.60 H new ATOM 0 HG LEU A 56 6.703 1.459 -1.534 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.359 1.129 -3.634 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.162 2.718 -3.607 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.829 1.400 -4.600 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.367 -0.826 -2.557 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.881 -0.619 -3.470 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.919 -0.716 -1.693 1.00 8.64 H new ATOM 904 N SER A 57 10.983 3.902 -2.154 1.00 8.92 N ATOM 905 CA SER A 57 12.334 4.403 -1.731 1.00 9.00 C ATOM 906 C SER A 57 12.398 5.641 -0.839 1.00 9.44 C ATOM 907 O SER A 57 13.190 5.718 0.110 1.00 10.91 O ATOM 908 CB SER A 57 13.229 4.697 -2.970 1.00 10.32 C ATOM 909 OG SER A 57 12.626 5.659 -3.846 1.00 13.59 O ATOM 0 H SER A 57 10.884 3.803 -3.164 1.00 8.92 H new ATOM 0 HA SER A 57 12.686 3.574 -1.117 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.200 5.066 -2.638 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.410 3.771 -3.516 1.00 10.32 H new ATOM 0 HG SER A 57 13.217 5.820 -4.611 1.00 13.59 H new ATOM 915 N ASP A 58 11.507 6.658 -1.136 1.00 9.11 N ATOM 916 CA ASP A 58 11.422 7.948 -0.480 1.00 7.91 C ATOM 917 C ASP A 58 10.925 7.774 0.976 1.00 9.12 C ATOM 918 O ASP A 58 11.353 8.544 1.812 1.00 8.61 O ATOM 919 CB ASP A 58 10.519 8.859 -1.296 1.00 8.41 C ATOM 920 CG ASP A 58 10.657 10.274 -0.940 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.726 10.920 -1.152 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.591 10.866 -0.566 1.00 10.05 O ATOM 0 H ASP A 58 10.814 6.558 -1.878 1.00 9.11 H new ATOM 0 HA ASP A 58 12.407 8.411 -0.424 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.747 8.733 -2.354 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.482 8.554 -1.154 1.00 8.41 H new ATOM 927 N TYR A 59 10.058 6.787 1.230 1.00 7.97 N ATOM 928 CA TYR A 59 9.469 6.466 2.524 1.00 8.45 C ATOM 929 C TYR A 59 10.286 5.433 3.226 1.00 10.98 C ATOM 930 O TYR A 59 9.974 5.015 4.333 1.00 12.95 O ATOM 931 CB TYR A 59 8.038 5.926 2.380 1.00 7.94 C ATOM 932 CG TYR A 59 7.029 7.042 2.201 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.546 7.710 3.344 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.449 7.297 0.973 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.435 8.579 3.298 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.384 8.242 0.879 1.00 6.52 C ATOM 937 CZ TYR A 59 4.840 8.816 2.029 1.00 6.76 C ATOM 938 OH TYR A 59 3.832 9.752 1.890 1.00 7.63 O ATOM 0 H TYR A 59 9.734 6.160 0.494 1.00 7.97 H new ATOM 0 HA TYR A 59 9.446 7.392 3.099 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.989 5.251 1.525 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.780 5.341 3.263 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.044 7.551 4.289 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.800 6.784 0.090 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.051 9.046 4.193 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.995 8.516 -0.091 1.00 6.52 H new ATOM 0 HH TYR A 59 4.205 10.584 1.530 1.00 7.63 H new ATOM 948 N ASN A 60 11.373 4.939 2.549 1.00 12.38 N ATOM 949 CA ASN A 60 12.276 3.885 3.052 1.00 13.94 C ATOM 950 C ASN A 60 11.497 2.657 3.454 1.00 14.16 C ATOM 951 O ASN A 60 11.736 1.966 4.450 1.00 14.26 O ATOM 952 CB ASN A 60 13.359 4.362 4.157 1.00 19.23 C ATOM 953 CG ASN A 60 14.176 5.487 3.602 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.244 5.315 3.008 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.688 6.743 3.708 1.00 24.09 N ATOM 0 H ASN A 60 11.638 5.278 1.624 1.00 12.38 H new ATOM 0 HA ASN A 60 12.912 3.615 2.209 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.850 4.682 5.066 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.006 3.529 4.431 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.201 7.525 3.301 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.807 6.908 4.195 1.00 24.09 H new ATOM 962 N ILE A 61 10.667 2.238 2.468 1.00 11.08 N ATOM 963 CA ILE A 61 10.002 0.934 2.534 1.00 11.78 C ATOM 964 C ILE A 61 11.059 -0.200 2.014 1.00 13.74 C ATOM 965 O ILE A 61 11.829 -0.024 1.125 1.00 14.60 O ATOM 966 CB ILE A 61 8.669 0.780 1.827 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.780 1.969 2.258 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.988 -0.574 1.974 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.481 2.072 1.529 1.00 11.42 C ATOM 0 H ILE A 61 10.450 2.782 1.633 1.00 11.08 H new ATOM 0 HA ILE A 61 9.723 0.814 3.581 1.00 11.78 H new ATOM 0 HB ILE A 61 8.852 0.804 0.753 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.576 1.885 3.326 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.338 2.894 2.112 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.045 -0.568 1.428 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.636 -1.353 1.571 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.796 -0.772 3.028 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.925 2.934 1.897 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.671 2.191 0.462 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.898 1.166 1.695 1.00 11.42 H new ATOM 981 N GLN A 62 11.089 -1.361 2.708 1.00 13.97 N ATOM 982 CA GLN A 62 12.187 -2.331 2.719 1.00 15.52 C ATOM 983 C GLN A 62 11.691 -3.760 2.697 1.00 13.94 C ATOM 984 O GLN A 62 10.529 -4.062 2.910 1.00 12.15 O ATOM 985 CB GLN A 62 13.171 -2.082 3.951 1.00 19.53 C ATOM 986 CG GLN A 62 12.485 -1.917 5.338 1.00 26.38 C ATOM 987 CD GLN A 62 13.554 -1.828 6.427 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.286 -0.815 6.517 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.676 -2.853 7.268 1.00 32.71 N ATOM 0 H GLN A 62 10.310 -1.652 3.299 1.00 13.97 H new ATOM 0 HA GLN A 62 12.752 -2.176 1.800 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.870 -2.916 4.009 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.759 -1.187 3.748 1.00 19.53 H new ATOM 0 HG2 GLN A 62 11.867 -1.019 5.346 1.00 26.38 H new ATOM 0 HG3 GLN A 62 11.823 -2.761 5.531 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.067 -3.666 7.173 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.378 -2.825 8.007 1.00 32.71 H new ATOM 998 N LYS A 63 12.635 -4.703 2.474 1.00 11.73 N ATOM 999 CA LYS A 63 12.426 -6.104 2.447 1.00 11.97 C ATOM 1000 C LYS A 63 11.440 -6.732 3.455 1.00 10.41 C ATOM 1001 O LYS A 63 11.628 -6.773 4.611 1.00 9.59 O ATOM 1002 CB LYS A 63 13.792 -6.779 2.892 1.00 13.73 C ATOM 1003 CG LYS A 63 13.945 -8.327 2.737 1.00 16.98 C ATOM 1004 CD LYS A 63 15.417 -8.840 2.757 1.00 20.19 C ATOM 1005 CE LYS A 63 16.169 -8.665 4.056 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.517 -9.179 3.884 1.00 25.97 N ATOM 0 H LYS A 63 13.609 -4.454 2.302 1.00 11.73 H new ATOM 0 HA LYS A 63 12.036 -6.269 1.442 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.595 -6.308 2.324 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.957 -6.533 3.941 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.393 -8.815 3.540 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.481 -8.633 1.799 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.413 -9.900 2.504 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.969 -8.326 1.970 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.199 -7.612 4.337 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.662 -9.196 4.861 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.048 -9.065 4.771 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.475 -10.187 3.633 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.995 -8.653 3.125 1.00 25.97 H new ATOM 1020 N GLU A 64 10.342 -7.288 2.891 1.00 10.04 N ATOM 1021 CA GLU A 64 9.201 -7.831 3.706 1.00 10.94 C ATOM 1022 C GLU A 64 8.630 -6.845 4.761 1.00 9.74 C ATOM 1023 O GLU A 64 8.189 -7.249 5.857 1.00 9.42 O ATOM 1024 CB GLU A 64 9.591 -9.218 4.341 1.00 18.31 C ATOM 1025 CG GLU A 64 9.704 -10.414 3.371 1.00 24.16 C ATOM 1026 CD GLU A 64 9.908 -11.749 4.079 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.259 -11.717 5.284 1.00 31.72 O ATOM 1028 OE2 GLU A 64 9.495 -12.788 3.577 1.00 32.61 O ATOM 0 H GLU A 64 10.211 -7.378 1.883 1.00 10.04 H new ATOM 0 HA GLU A 64 8.377 -7.980 3.008 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.547 -9.102 4.852 1.00 18.31 H new ATOM 0 HB3 GLU A 64 8.850 -9.465 5.102 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.800 -10.467 2.764 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.536 -10.242 2.689 1.00 24.16 H new ATOM 1035 N SER A 65 8.597 -5.532 4.412 1.00 6.85 N ATOM 1036 CA SER A 65 7.886 -4.548 5.258 1.00 6.90 C ATOM 1037 C SER A 65 6.384 -4.859 5.147 1.00 4.72 C ATOM 1038 O SER A 65 5.861 -5.139 4.032 1.00 3.91 O ATOM 1039 CB SER A 65 7.955 -3.146 4.606 1.00 7.28 C ATOM 1040 OG SER A 65 9.244 -2.634 4.843 1.00 10.56 O ATOM 0 H SER A 65 9.039 -5.144 3.579 1.00 6.85 H new ATOM 0 HA SER A 65 8.311 -4.584 6.261 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.759 -3.210 3.536 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.197 -2.488 5.030 1.00 7.28 H new ATOM 0 HG SER A 65 9.899 -3.145 4.323 1.00 10.56 H new ATOM 1046 N THR A 66 5.563 -4.723 6.223 1.00 4.48 N ATOM 1047 CA THR A 66 4.129 -4.857 6.295 1.00 3.80 C ATOM 1048 C THR A 66 3.562 -3.493 6.191 1.00 4.60 C ATOM 1049 O THR A 66 3.916 -2.634 7.034 1.00 5.33 O ATOM 1050 CB THR A 66 3.752 -5.532 7.601 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.253 -6.896 7.618 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.220 -5.620 7.749 1.00 3.40 C ATOM 0 H THR A 66 5.952 -4.495 7.138 1.00 4.48 H new ATOM 0 HA THR A 66 3.734 -5.476 5.490 1.00 3.80 H new ATOM 0 HB THR A 66 4.182 -4.940 8.409 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.007 -7.324 8.465 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.973 -6.107 8.692 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.795 -4.616 7.737 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.807 -6.199 6.923 1.00 3.40 H new ATOM 1060 N LEU A 67 2.711 -3.230 5.219 1.00 4.17 N ATOM 1061 CA LEU A 67 1.876 -2.070 5.234 1.00 3.85 C ATOM 1062 C LEU A 67 0.507 -2.494 5.867 1.00 3.80 C ATOM 1063 O LEU A 67 0.169 -3.709 5.829 1.00 5.54 O ATOM 1064 CB LEU A 67 1.632 -1.593 3.825 1.00 7.18 C ATOM 1065 CG LEU A 67 2.900 -1.567 2.872 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.521 -1.017 1.492 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.092 -0.726 3.433 1.00 11.66 C ATOM 0 H LEU A 67 2.587 -3.824 4.399 1.00 4.17 H new ATOM 0 HA LEU A 67 2.349 -1.268 5.801 1.00 3.85 H new ATOM 0 HB2 LEU A 67 0.874 -2.232 3.372 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.215 -0.587 3.870 1.00 7.18 H new ATOM 0 HG LEU A 67 3.234 -2.602 2.802 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.402 -1.006 0.850 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.755 -1.651 1.046 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.136 -0.003 1.598 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.922 -0.755 2.727 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.773 0.307 3.576 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.413 -1.142 4.388 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.222 -1.548 6.456 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.553 -1.781 7.136 1.00 4.17 C ATOM 1081 C HIS A 68 -2.713 -1.145 6.364 1.00 5.32 C ATOM 1082 O HIS A 68 -2.696 0.055 6.026 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.455 -1.138 8.525 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.411 -1.744 9.361 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.862 -1.164 9.463 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.289 -2.972 9.922 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.666 -2.118 10.028 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.026 -3.222 10.326 1.00 16.30 N ATOM 0 H HIS A 68 0.076 -0.573 6.490 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.755 -2.851 7.188 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.252 -0.073 8.414 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.416 -1.228 9.031 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.105 -3.669 10.042 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.721 -1.975 10.210 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.401 -4.069 10.754 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.670 -1.967 5.872 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.682 -1.541 4.926 1.00 3.97 C ATOM 1098 C LEU A 69 -5.886 -0.900 5.572 1.00 5.07 C ATOM 1099 O LEU A 69 -6.577 -1.511 6.389 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.069 -2.748 4.076 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.931 -2.472 2.861 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.277 -1.531 1.840 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.356 -3.776 2.114 1.00 9.96 C ATOM 0 H LEU A 69 -3.746 -2.950 6.134 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.261 -0.753 4.301 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.154 -3.237 3.741 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.595 -3.459 4.713 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.811 -1.980 3.277 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.953 -1.381 0.998 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.066 -0.571 2.312 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.346 -1.972 1.483 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.972 -3.518 1.252 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.467 -4.309 1.778 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.927 -4.413 2.790 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.074 0.409 5.240 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.123 1.314 5.733 1.00 6.26 C ATOM 1117 C VAL A 70 -8.055 1.722 4.569 1.00 9.22 C ATOM 1118 O VAL A 70 -7.733 2.538 3.741 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.514 2.530 6.356 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.541 3.659 6.826 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.700 2.142 7.571 1.00 8.54 C ATOM 0 H VAL A 70 -5.453 0.877 4.580 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.707 0.793 6.491 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.911 2.957 5.554 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.991 4.493 7.262 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.113 4.011 5.967 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.222 3.245 7.570 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.262 3.035 8.016 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.346 1.653 8.300 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.905 1.458 7.273 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.222 1.082 4.529 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.094 1.274 3.416 1.00 16.06 C ATOM 1133 C LEU A 71 -11.149 2.411 3.625 1.00 18.09 C ATOM 1134 O LEU A 71 -11.750 2.496 4.715 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.781 -0.101 2.991 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.752 -1.194 2.530 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.648 -2.344 2.052 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.917 -0.647 1.377 1.00 19.57 C ATOM 0 H LEU A 71 -9.564 0.443 5.247 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.466 1.618 2.594 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.357 -0.486 3.832 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.486 0.088 2.182 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.055 -1.501 3.310 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.026 -3.169 1.704 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.275 -2.684 2.877 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.280 -1.997 1.235 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.202 -1.404 1.055 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.571 -0.388 0.545 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.380 0.243 1.706 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.296 3.296 2.627 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.122 4.465 2.569 1.00 25.83 C ATOM 1152 C ARG A 72 -13.534 4.090 2.267 1.00 27.74 C ATOM 1153 O ARG A 72 -14.054 4.330 1.179 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.551 5.485 1.561 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.152 5.974 2.021 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.469 6.805 0.978 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.399 7.970 0.866 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.186 8.919 -0.044 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.319 8.844 -1.054 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.856 10.055 0.177 1.00 35.02 N ATOM 0 H ARG A 72 -10.774 3.178 1.759 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.122 4.952 3.544 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.477 5.028 0.574 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.228 6.334 1.470 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.256 6.557 2.936 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.529 5.112 2.261 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.468 7.108 1.286 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.364 6.272 0.033 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.202 8.039 1.491 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.750 8.006 -1.177 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.224 9.624 -1.704 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.467 10.137 0.990 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.756 10.840 -0.467 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.259 3.490 3.235 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.491 2.747 3.021 1.00 30.76 C ATOM 1176 C LEU A 73 -16.573 3.655 2.444 1.00 32.18 C ATOM 1177 O LEU A 73 -16.851 4.753 3.030 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.980 1.931 4.271 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.969 0.821 4.847 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.698 0.409 6.141 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.814 -0.297 3.842 1.00 29.11 C ATOM 0 H LEU A 73 -13.982 3.518 4.216 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.264 1.979 2.282 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.204 2.636 5.072 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.916 1.437 4.010 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.946 1.146 5.035 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.119 -0.358 6.656 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.807 1.278 6.790 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.684 0.015 5.894 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.128 -1.047 4.235 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.785 -0.755 3.655 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.417 0.104 2.910 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.311 3.229 1.441 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.405 3.986 0.838 1.00 35.33 C ATOM 1195 C ARG A 74 -19.543 4.210 1.764 1.00 36.22 C ATOM 1196 O ARG A 74 -20.037 5.331 1.808 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.965 3.115 -0.280 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.079 2.972 -1.564 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.585 4.287 -2.161 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.157 4.035 -3.601 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.669 4.992 -4.373 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.590 6.244 -4.012 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.167 4.684 -5.593 1.00 41.93 N ATOM 0 H ARG A 74 -17.167 2.319 1.004 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.009 4.952 0.526 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.146 2.118 0.122 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.933 3.520 -0.576 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.215 2.353 -1.323 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.651 2.439 -2.323 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.374 5.038 -2.127 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.749 4.676 -1.580 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.250 3.094 -3.984 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.915 6.530 -3.088 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.203 6.936 -4.653 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.166 3.716 -5.914 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.790 5.420 -6.190 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.979 3.262 2.569 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.882 3.550 3.645 1.00 36.07 C ATOM 1219 C GLY A 75 -20.287 4.057 4.885 1.00 36.16 C ATOM 1220 O GLY A 75 -21.021 4.264 5.814 1.00 36.26 O ATOM 0 H GLY A 75 -19.715 2.280 2.490 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.609 4.281 3.293 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.434 2.640 3.879 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.942 4.254 5.007 1.00 36.05 N ATOM 1225 CA GLY A 76 -18.306 4.517 6.277 1.00 36.19 C ATOM 1226 C GLY A 76 -17.259 5.673 6.321 1.00 36.20 C ATOM 1227 O GLY A 76 -17.554 6.846 6.011 1.00 0.00 O ATOM 1228 OXT GLY A 76 -16.095 5.357 6.681 1.00 0.00 O ATOM 0 H GLY A 76 -18.296 4.230 4.218 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -19.085 4.738 7.006 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.813 3.602 6.605 1.00 36.19 H new TER 1232 GLY A 76