USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 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 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot -77:sc= 0.0778 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0216 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 135:sc= 1.24 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 160:sc= 1.05 USER MOD Single : A 1 MET CE :methyl -173:sc= -0.122 (180deg=-0.133) USER MOD Single : A 1 MET N :NH3+ -162:sc= 2.47 (180deg=2.43) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 11 LYS NZ :NH3+ -126:sc= 1.22 (180deg=-0.0974) USER MOD Single : A 14 THR OG1 : rot 47:sc= 0.314 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00777 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.45 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ -109:sc= 1.17 (180deg=-0.093) USER MOD Single : A 31 GLN : amide:sc= -0.291 K(o=-0.29,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 41 GLN : amide:sc= 1.23 K(o=1.2,f=-1.3!) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000508) USER MOD Single : A 49 GLN : amide:sc= -0.0604 K(o=-0.06,f=-0.75) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.932 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 83:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.105 K(o=0.11,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.421 -6.406 -4.391 1.00 9.67 N ATOM 2 CA MET A 1 11.305 -6.754 -2.979 1.00 10.38 C ATOM 3 C MET A 1 9.970 -7.248 -2.585 1.00 9.62 C ATOM 4 O MET A 1 9.008 -6.911 -3.199 1.00 9.62 O ATOM 5 CB MET A 1 11.683 -5.606 -1.980 1.00 13.77 C ATOM 6 CG MET A 1 10.752 -4.456 -2.024 1.00 16.29 C ATOM 7 SD MET A 1 11.264 -3.202 -0.858 1.00 17.17 S ATOM 8 CE MET A 1 10.029 -1.971 -1.406 1.00 16.11 C ATOM 0 H1 MET A 1 12.426 -6.365 -4.657 1.00 9.67 H new ATOM 0 H2 MET A 1 10.940 -7.126 -4.967 1.00 9.67 H new ATOM 0 H3 MET A 1 10.981 -5.479 -4.557 1.00 9.67 H new ATOM 0 HA MET A 1 12.040 -7.555 -2.898 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.704 -6.008 -0.967 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.691 -5.257 -2.205 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.726 -4.038 -3.030 1.00 16.29 H new ATOM 0 HG3 MET A 1 9.741 -4.789 -1.791 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.216 -1.021 -0.906 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.105 -1.834 -2.485 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.028 -2.323 -1.155 1.00 16.11 H new ATOM 20 N GLN A 2 9.919 -8.125 -1.534 1.00 9.27 N ATOM 21 CA GLN A 2 8.714 -8.488 -0.788 1.00 9.07 C ATOM 22 C GLN A 2 8.226 -7.321 0.052 1.00 8.72 C ATOM 23 O GLN A 2 9.043 -6.563 0.603 1.00 8.22 O ATOM 24 CB GLN A 2 9.137 -9.647 0.221 1.00 14.46 C ATOM 25 CG GLN A 2 9.376 -10.949 -0.498 1.00 17.01 C ATOM 26 CD GLN A 2 9.654 -12.153 0.463 1.00 20.10 C ATOM 27 OE1 GLN A 2 10.571 -12.174 1.298 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.875 -13.221 0.265 1.00 19.49 N ATOM 0 H GLN A 2 10.752 -8.602 -1.188 1.00 9.27 H new ATOM 0 HA GLN A 2 7.927 -8.785 -1.481 1.00 9.07 H new ATOM 0 HB2 GLN A 2 10.041 -9.354 0.754 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.356 -9.782 0.969 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.507 -11.179 -1.114 1.00 17.01 H new ATOM 0 HG3 GLN A 2 10.223 -10.831 -1.174 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.126 -13.185 -0.426 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.030 -14.072 0.805 1.00 19.49 H new ATOM 37 N ILE A 3 6.916 -7.250 0.198 1.00 5.87 N ATOM 38 CA ILE A 3 6.173 -6.414 1.197 1.00 5.07 C ATOM 39 C ILE A 3 4.820 -7.099 1.351 1.00 4.01 C ATOM 40 O ILE A 3 4.347 -7.863 0.513 1.00 4.61 O ATOM 41 CB ILE A 3 5.912 -4.947 0.884 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.125 -4.609 -0.428 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.184 -4.106 1.032 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.874 -3.101 -0.623 1.00 10.83 C ATOM 0 H ILE A 3 6.285 -7.791 -0.394 1.00 5.87 H new ATOM 0 HA ILE A 3 6.816 -6.365 2.076 1.00 5.07 H new ATOM 0 HB ILE A 3 5.194 -4.661 1.653 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.681 -4.990 -1.284 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.167 -5.130 -0.412 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.960 -3.064 0.801 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.552 -4.180 2.055 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.946 -4.475 0.345 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.325 -2.941 -1.551 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.291 -2.718 0.215 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.828 -2.577 -0.671 1.00 10.83 H new ATOM 56 N PHE A 4 4.279 -6.912 2.547 1.00 4.55 N ATOM 57 CA PHE A 4 3.162 -7.588 3.055 1.00 4.68 C ATOM 58 C PHE A 4 2.137 -6.464 3.203 1.00 5.30 C ATOM 59 O PHE A 4 2.409 -5.497 3.878 1.00 5.58 O ATOM 60 CB PHE A 4 3.459 -8.237 4.462 1.00 4.83 C ATOM 61 CG PHE A 4 4.357 -9.359 4.293 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.915 -10.710 4.065 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.773 -9.224 4.593 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.811 -11.801 4.009 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.667 -10.287 4.356 1.00 10.61 C ATOM 66 CZ PHE A 4 6.152 -11.548 4.187 1.00 8.90 C ATOM 0 H PHE A 4 4.657 -6.233 3.208 1.00 4.55 H new ATOM 0 HA PHE A 4 2.841 -8.411 2.416 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.903 -7.498 5.129 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.530 -8.567 4.926 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.860 -10.896 3.932 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.145 -8.297 5.003 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.454 -12.805 3.832 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.732 -10.114 4.308 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.834 -12.385 4.194 1.00 8.90 H new ATOM 76 N VAL A 5 0.916 -6.558 2.605 1.00 4.44 N ATOM 77 CA VAL A 5 -0.206 -5.649 2.860 1.00 3.87 C ATOM 78 C VAL A 5 -1.209 -6.355 3.736 1.00 4.93 C ATOM 79 O VAL A 5 -1.742 -7.363 3.313 1.00 6.84 O ATOM 80 CB VAL A 5 -0.828 -5.070 1.608 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.065 -4.193 2.054 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.234 -4.269 0.821 1.00 9.13 C ATOM 0 H VAL A 5 0.695 -7.284 1.924 1.00 4.44 H new ATOM 0 HA VAL A 5 0.180 -4.773 3.381 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.183 -5.848 0.932 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.539 -3.759 1.174 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.784 -4.820 2.581 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.726 -3.395 2.715 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.217 -3.854 -0.080 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.614 -3.459 1.443 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.056 -4.929 0.544 1.00 9.13 H new ATOM 92 N LYS A 6 -1.374 -5.947 4.969 1.00 6.04 N ATOM 93 CA LYS A 6 -2.175 -6.551 5.979 1.00 6.12 C ATOM 94 C LYS A 6 -3.494 -5.771 6.022 1.00 6.57 C ATOM 95 O LYS A 6 -3.594 -4.549 6.185 1.00 5.76 O ATOM 96 CB LYS A 6 -1.446 -6.612 7.338 1.00 7.45 C ATOM 97 CG LYS A 6 -1.989 -7.604 8.369 1.00 11.12 C ATOM 98 CD LYS A 6 -1.458 -9.002 8.249 1.00 14.54 C ATOM 99 CE LYS A 6 -0.019 -9.225 8.778 1.00 18.84 C ATOM 100 NZ LYS A 6 0.210 -10.630 8.968 1.00 20.55 N ATOM 0 H LYS A 6 -0.905 -5.108 5.312 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.379 -7.596 5.746 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.400 -6.855 7.152 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.468 -5.616 7.780 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.760 -7.229 9.367 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.075 -7.636 8.282 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.130 -9.673 8.785 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.488 -9.293 7.199 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.706 -8.820 8.072 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.120 -8.693 9.719 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.141 -10.885 8.581 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.185 -10.852 9.984 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.529 -11.172 8.477 1.00 20.55 H new ATOM 114 N THR A 7 -4.546 -6.518 5.923 1.00 7.41 N ATOM 115 CA THR A 7 -5.831 -5.908 5.736 1.00 7.48 C ATOM 116 C THR A 7 -6.581 -5.679 7.026 1.00 8.75 C ATOM 117 O THR A 7 -6.194 -6.303 8.052 1.00 8.58 O ATOM 118 CB THR A 7 -6.816 -6.582 4.748 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.488 -7.741 5.223 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.026 -6.951 3.483 1.00 9.17 C ATOM 0 H THR A 7 -4.547 -7.537 5.967 1.00 7.41 H new ATOM 0 HA THR A 7 -5.518 -4.971 5.277 1.00 7.48 H new ATOM 0 HB THR A 7 -7.609 -5.855 4.574 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.083 -8.083 4.524 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.692 -7.429 2.765 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.604 -6.048 3.041 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.221 -7.638 3.744 1.00 9.17 H new ATOM 128 N LEU A 8 -7.625 -4.837 7.142 1.00 9.84 N ATOM 129 CA LEU A 8 -8.352 -4.669 8.389 1.00 14.15 C ATOM 130 C LEU A 8 -8.930 -6.002 8.872 1.00 17.37 C ATOM 131 O LEU A 8 -8.852 -6.255 10.073 1.00 17.01 O ATOM 132 CB LEU A 8 -9.561 -3.758 8.260 1.00 16.63 C ATOM 133 CG LEU A 8 -9.231 -2.283 7.952 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.462 -1.545 7.350 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.713 -1.452 9.175 1.00 18.59 C ATOM 0 H LEU A 8 -7.976 -4.264 6.375 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.617 -4.247 9.074 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.206 -4.144 7.470 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.132 -3.802 9.188 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.414 -2.342 7.233 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.199 -0.508 7.143 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.763 -2.035 6.424 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.288 -1.575 8.061 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.508 -0.429 8.859 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.471 -1.445 9.958 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.798 -1.903 9.560 1.00 18.59 H new ATOM 147 N THR A 9 -9.424 -6.775 7.980 1.00 18.33 N ATOM 148 CA THR A 9 -9.962 -8.079 8.240 1.00 19.24 C ATOM 149 C THR A 9 -8.971 -9.195 8.330 1.00 19.48 C ATOM 150 O THR A 9 -9.339 -10.363 8.361 1.00 23.14 O ATOM 151 CB THR A 9 -11.122 -8.447 7.318 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.816 -8.368 5.919 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.169 -7.347 7.573 1.00 19.70 C ATOM 0 H THR A 9 -9.472 -6.513 6.995 1.00 18.33 H new ATOM 0 HA THR A 9 -10.350 -7.970 9.253 1.00 19.24 H new ATOM 0 HB THR A 9 -11.420 -9.474 7.527 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.606 -8.619 5.397 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.045 -7.527 6.950 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.461 -7.359 8.623 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.743 -6.375 7.326 1.00 19.70 H new ATOM 161 N GLY A 10 -7.653 -8.875 8.429 1.00 19.43 N ATOM 162 CA GLY A 10 -6.551 -9.704 8.874 1.00 18.74 C ATOM 163 C GLY A 10 -5.900 -10.606 7.886 1.00 17.62 C ATOM 164 O GLY A 10 -5.160 -11.567 8.276 1.00 19.74 O ATOM 0 H GLY A 10 -7.329 -7.943 8.171 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.783 -9.045 9.279 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.910 -10.319 9.699 1.00 18.74 H new ATOM 168 N LYS A 11 -6.189 -10.407 6.579 1.00 13.56 N ATOM 169 CA LYS A 11 -5.554 -11.132 5.518 1.00 11.91 C ATOM 170 C LYS A 11 -4.165 -10.576 5.322 1.00 10.18 C ATOM 171 O LYS A 11 -3.938 -9.358 5.299 1.00 9.10 O ATOM 172 CB LYS A 11 -6.351 -10.936 4.248 1.00 13.43 C ATOM 173 CG LYS A 11 -5.803 -11.717 3.051 1.00 16.69 C ATOM 174 CD LYS A 11 -6.753 -11.772 1.795 1.00 17.92 C ATOM 175 CE LYS A 11 -6.314 -12.613 0.567 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.268 -12.581 -0.489 1.00 21.93 N ATOM 0 H LYS A 11 -6.878 -9.728 6.257 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.502 -12.193 5.761 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.383 -11.239 4.427 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.369 -9.875 4.001 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.855 -11.272 2.750 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.589 -12.737 3.370 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.719 -12.151 2.127 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.912 -10.749 1.455 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.358 -12.240 0.199 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.155 -13.646 0.877 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.524 -13.553 -0.755 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.119 -12.074 -0.173 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.859 -12.093 -1.311 1.00 21.93 H new ATOM 190 N THR A 12 -3.137 -11.437 5.100 1.00 9.63 N ATOM 191 CA THR A 12 -1.778 -11.060 4.818 1.00 9.85 C ATOM 192 C THR A 12 -1.534 -11.282 3.334 1.00 11.66 C ATOM 193 O THR A 12 -1.501 -12.423 2.866 1.00 12.33 O ATOM 194 CB THR A 12 -0.914 -11.987 5.637 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.228 -11.916 7.022 1.00 10.91 O ATOM 196 CG2 THR A 12 0.565 -11.596 5.414 1.00 9.63 C ATOM 0 H THR A 12 -3.266 -12.449 5.119 1.00 9.63 H new ATOM 0 HA THR A 12 -1.562 -10.019 5.060 1.00 9.85 H new ATOM 0 HB THR A 12 -1.097 -13.013 5.316 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.903 -12.723 7.473 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.208 -12.255 5.998 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.811 -11.693 4.357 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.720 -10.564 5.730 1.00 9.63 H new ATOM 204 N ILE A 13 -1.290 -10.263 2.499 1.00 10.42 N ATOM 205 CA ILE A 13 -1.103 -10.290 1.013 1.00 11.84 C ATOM 206 C ILE A 13 0.323 -9.919 0.724 1.00 10.55 C ATOM 207 O ILE A 13 0.798 -8.849 1.096 1.00 11.92 O ATOM 208 CB ILE A 13 -2.086 -9.320 0.289 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.533 -9.470 0.852 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.951 -9.500 -1.296 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.468 -8.341 0.429 1.00 16.46 C ATOM 0 H ILE A 13 -1.209 -9.312 2.860 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.322 -11.289 0.636 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.820 -8.283 0.495 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.948 -10.420 0.517 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.489 -9.507 1.940 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.639 -8.821 -1.799 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.930 -9.274 -1.602 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.192 -10.528 -1.567 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.457 -8.509 0.856 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.075 -7.390 0.787 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.541 -8.317 -0.658 1.00 16.46 H new ATOM 223 N THR A 14 1.136 -10.910 0.189 1.00 9.39 N ATOM 224 CA THR A 14 2.488 -10.638 -0.192 1.00 9.63 C ATOM 225 C THR A 14 2.560 -10.042 -1.591 1.00 11.20 C ATOM 226 O THR A 14 2.042 -10.549 -2.564 1.00 11.63 O ATOM 227 CB THR A 14 3.220 -11.970 -0.392 1.00 10.38 C ATOM 228 OG1 THR A 14 2.532 -12.966 -1.165 1.00 16.30 O ATOM 229 CG2 THR A 14 3.605 -12.554 0.965 1.00 11.66 C ATOM 0 H THR A 14 0.837 -11.873 0.034 1.00 9.39 H new ATOM 0 HA THR A 14 2.900 -9.983 0.576 1.00 9.63 H new ATOM 0 HB THR A 14 4.095 -11.713 -0.989 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.180 -12.559 -1.984 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.125 -13.501 0.819 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.260 -11.857 1.489 1.00 11.66 H new ATOM 0 HG23 THR A 14 2.706 -12.722 1.557 1.00 11.66 H new ATOM 237 N LEU A 15 3.380 -8.938 -1.744 1.00 8.29 N ATOM 238 CA LEU A 15 3.619 -8.327 -3.071 1.00 9.03 C ATOM 239 C LEU A 15 5.052 -8.549 -3.539 1.00 8.59 C ATOM 240 O LEU A 15 5.971 -8.513 -2.723 1.00 7.79 O ATOM 241 CB LEU A 15 3.263 -6.809 -3.136 1.00 11.08 C ATOM 242 CG LEU A 15 1.835 -6.496 -2.737 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.600 -4.960 -2.844 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.878 -7.255 -3.656 1.00 15.27 C ATOM 0 H LEU A 15 3.866 -8.478 -0.974 1.00 8.29 H new ATOM 0 HA LEU A 15 2.937 -8.840 -3.749 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.941 -6.259 -2.484 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.434 -6.449 -4.151 1.00 11.08 H new ATOM 0 HG LEU A 15 1.653 -6.808 -1.709 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.574 -4.728 -2.558 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.289 -4.439 -2.179 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.773 -4.636 -3.870 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.151 -7.033 -3.373 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.045 -6.948 -4.688 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.057 -8.326 -3.563 1.00 15.27 H new ATOM 256 N GLU A 16 5.253 -8.593 -4.867 1.00 11.04 N ATOM 257 CA GLU A 16 6.583 -8.373 -5.402 1.00 11.50 C ATOM 258 C GLU A 16 6.611 -7.008 -6.111 1.00 10.13 C ATOM 259 O GLU A 16 5.867 -6.856 -7.081 1.00 9.83 O ATOM 260 CB GLU A 16 7.068 -9.522 -6.378 1.00 17.22 C ATOM 261 CG GLU A 16 8.487 -9.383 -7.016 1.00 23.33 C ATOM 262 CD GLU A 16 9.536 -9.410 -5.927 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.539 -10.315 -5.043 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.416 -8.461 -5.907 1.00 28.90 O ATOM 0 H GLU A 16 4.528 -8.774 -5.561 1.00 11.04 H new ATOM 0 HA GLU A 16 7.282 -8.385 -4.566 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.038 -10.463 -5.829 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.343 -9.602 -7.188 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.660 -10.195 -7.723 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.555 -8.451 -7.578 1.00 23.33 H new ATOM 271 N VAL A 17 7.455 -6.056 -5.652 1.00 8.99 N ATOM 272 CA VAL A 17 7.415 -4.654 -5.958 1.00 8.85 C ATOM 273 C VAL A 17 8.804 -4.044 -5.903 1.00 8.04 C ATOM 274 O VAL A 17 9.670 -4.452 -5.168 1.00 8.99 O ATOM 275 CB VAL A 17 6.527 -3.824 -5.002 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.146 -4.385 -5.068 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.016 -3.977 -3.567 1.00 10.54 C ATOM 0 H VAL A 17 8.221 -6.287 -5.020 1.00 8.99 H new ATOM 0 HA VAL A 17 6.989 -4.610 -6.960 1.00 8.85 H new ATOM 0 HB VAL A 17 6.559 -2.774 -5.292 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.492 -3.821 -4.403 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.773 -4.315 -6.090 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.163 -5.430 -4.759 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.384 -3.388 -2.902 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.970 -5.027 -3.277 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.045 -3.626 -3.494 1.00 10.54 H new ATOM 287 N GLU A 18 9.089 -3.021 -6.694 1.00 7.29 N ATOM 288 CA GLU A 18 10.421 -2.420 -6.701 1.00 7.08 C ATOM 289 C GLU A 18 10.539 -1.250 -5.779 1.00 6.45 C ATOM 290 O GLU A 18 9.530 -0.586 -5.563 1.00 5.28 O ATOM 291 CB GLU A 18 10.850 -2.033 -8.183 1.00 10.28 C ATOM 292 CG GLU A 18 10.719 -3.164 -9.206 1.00 12.65 C ATOM 293 CD GLU A 18 11.144 -2.772 -10.602 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.117 -1.588 -10.893 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.311 -3.673 -11.466 1.00 18.17 O ATOM 0 H GLU A 18 8.424 -2.590 -7.336 1.00 7.29 H new ATOM 0 HA GLU A 18 11.111 -3.174 -6.321 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.242 -1.191 -8.514 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.885 -1.693 -8.169 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.321 -4.011 -8.877 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.682 -3.500 -9.232 1.00 12.65 H new ATOM 302 N PRO A 19 11.777 -0.778 -5.286 1.00 7.24 N ATOM 303 CA PRO A 19 12.057 0.411 -4.547 1.00 7.07 C ATOM 304 C PRO A 19 11.576 1.654 -5.247 1.00 6.65 C ATOM 305 O PRO A 19 11.111 2.673 -4.717 1.00 6.37 O ATOM 306 CB PRO A 19 13.608 0.282 -4.364 1.00 7.61 C ATOM 307 CG PRO A 19 13.959 -1.174 -4.404 1.00 8.16 C ATOM 308 CD PRO A 19 12.982 -1.642 -5.474 1.00 7.49 C ATOM 0 HA PRO A 19 11.536 0.509 -3.595 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.131 0.822 -5.153 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.918 0.723 -3.417 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.999 -1.346 -4.683 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.799 -1.669 -3.446 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.402 -1.525 -6.473 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.736 -2.697 -5.353 1.00 7.49 H new ATOM 316 N SER A 20 11.652 1.591 -6.582 1.00 6.80 N ATOM 317 CA SER A 20 11.160 2.675 -7.395 1.00 6.28 C ATOM 318 C SER A 20 9.771 2.566 -7.922 1.00 8.45 C ATOM 319 O SER A 20 9.305 3.393 -8.676 1.00 7.26 O ATOM 320 CB SER A 20 12.107 2.953 -8.572 1.00 8.57 C ATOM 321 OG SER A 20 12.313 1.781 -9.377 1.00 11.13 O ATOM 0 H SER A 20 12.046 0.807 -7.102 1.00 6.80 H new ATOM 0 HA SER A 20 11.128 3.500 -6.683 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.695 3.751 -9.190 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.066 3.307 -8.192 1.00 8.57 H new ATOM 0 HG SER A 20 12.919 1.995 -10.117 1.00 11.13 H new ATOM 327 N ASP A 21 8.941 1.564 -7.402 1.00 7.50 N ATOM 328 CA ASP A 21 7.524 1.606 -7.643 1.00 7.70 C ATOM 329 C ASP A 21 6.750 2.570 -6.711 1.00 7.08 C ATOM 330 O ASP A 21 7.138 2.880 -5.604 1.00 8.11 O ATOM 331 CB ASP A 21 6.892 0.211 -7.423 1.00 11.00 C ATOM 332 CG ASP A 21 7.241 -0.723 -8.527 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.553 -0.268 -9.673 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.201 -1.963 -8.312 1.00 14.36 O ATOM 0 H ASP A 21 9.263 0.773 -6.844 1.00 7.50 H new ATOM 0 HA ASP A 21 7.437 1.954 -8.672 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.236 -0.200 -6.474 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.808 0.307 -7.355 1.00 11.00 H new ATOM 339 N THR A 22 5.651 3.174 -7.266 1.00 5.37 N ATOM 340 CA THR A 22 4.953 4.244 -6.545 1.00 6.01 C ATOM 341 C THR A 22 3.879 3.608 -5.799 1.00 8.01 C ATOM 342 O THR A 22 3.502 2.448 -5.991 1.00 8.11 O ATOM 343 CB THR A 22 4.395 5.295 -7.451 1.00 8.92 C ATOM 344 OG1 THR A 22 3.708 4.664 -8.507 1.00 10.22 O ATOM 345 CG2 THR A 22 5.493 6.100 -8.063 1.00 9.65 C ATOM 0 H THR A 22 5.256 2.937 -8.176 1.00 5.37 H new ATOM 0 HA THR A 22 5.660 4.760 -5.895 1.00 6.01 H new ATOM 0 HB THR A 22 3.739 5.940 -6.866 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.336 5.343 -9.107 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.066 6.859 -8.719 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.071 6.584 -7.276 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.145 5.446 -8.642 1.00 9.65 H new ATOM 353 N ILE A 23 3.336 4.368 -4.778 1.00 8.32 N ATOM 354 CA ILE A 23 2.241 3.969 -3.903 1.00 9.92 C ATOM 355 C ILE A 23 0.954 3.588 -4.656 1.00 10.01 C ATOM 356 O ILE A 23 0.198 2.667 -4.317 1.00 8.71 O ATOM 357 CB ILE A 23 2.136 4.894 -2.695 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.364 4.923 -1.785 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.863 4.554 -1.902 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.730 3.655 -1.011 1.00 12.30 C ATOM 0 H ILE A 23 3.684 5.302 -4.562 1.00 8.32 H new ATOM 0 HA ILE A 23 2.475 3.006 -3.450 1.00 9.92 H new ATOM 0 HB ILE A 23 2.080 5.907 -3.094 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.223 5.197 -2.397 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.220 5.724 -1.060 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.786 5.214 -1.038 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.010 4.688 -2.541 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.910 3.519 -1.565 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.623 3.839 -0.413 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.905 3.378 -0.355 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.924 2.844 -1.713 1.00 12.30 H new ATOM 372 N GLU A 24 0.722 4.399 -5.795 1.00 9.54 N ATOM 373 CA GLU A 24 -0.301 4.040 -6.814 1.00 11.81 C ATOM 374 C GLU A 24 -0.139 2.720 -7.398 1.00 11.14 C ATOM 375 O GLU A 24 -1.017 1.926 -7.641 1.00 10.62 O ATOM 376 CB GLU A 24 -0.295 5.168 -7.878 1.00 19.24 C ATOM 377 CG GLU A 24 -1.363 5.028 -8.986 1.00 27.76 C ATOM 378 CD GLU A 24 -1.802 6.310 -9.642 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.927 7.047 -10.135 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.033 6.647 -9.623 1.00 34.80 O ATOM 0 H GLU A 24 1.227 5.263 -5.991 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.273 3.967 -6.326 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.440 6.123 -7.373 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.689 5.201 -8.345 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.974 4.363 -9.757 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.240 4.542 -8.559 1.00 27.76 H new ATOM 387 N ASN A 25 1.073 2.300 -7.739 1.00 9.43 N ATOM 388 CA ASN A 25 1.467 1.024 -8.230 1.00 10.96 C ATOM 389 C ASN A 25 1.259 -0.090 -7.178 1.00 9.68 C ATOM 390 O ASN A 25 0.809 -1.187 -7.596 1.00 9.33 O ATOM 391 CB ASN A 25 2.890 0.896 -8.757 1.00 16.78 C ATOM 392 CG ASN A 25 3.014 1.452 -10.186 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.562 2.548 -10.506 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.605 0.689 -11.081 1.00 24.70 N ATOM 0 H ASN A 25 1.875 2.926 -7.663 1.00 9.43 H new ATOM 0 HA ASN A 25 0.806 0.907 -9.089 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.573 1.431 -8.097 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.190 -0.152 -8.746 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.690 1.007 -12.046 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.978 -0.220 -10.809 1.00 24.70 H new ATOM 401 N VAL A 26 1.516 0.084 -5.882 1.00 6.52 N ATOM 402 CA VAL A 26 1.159 -0.869 -4.859 1.00 5.53 C ATOM 403 C VAL A 26 -0.360 -1.030 -4.747 1.00 4.42 C ATOM 404 O VAL A 26 -0.871 -2.134 -4.736 1.00 3.40 O ATOM 405 CB VAL A 26 1.847 -0.547 -3.519 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.349 -1.417 -2.287 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.440 -0.637 -3.729 1.00 8.12 C ATOM 0 H VAL A 26 1.988 0.912 -5.518 1.00 6.52 H new ATOM 0 HA VAL A 26 1.539 -1.846 -5.158 1.00 5.53 H new ATOM 0 HB VAL A 26 1.561 0.467 -3.239 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.890 -1.119 -1.389 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.281 -1.258 -2.137 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.534 -2.472 -2.488 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.944 -0.412 -2.789 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.708 -1.643 -4.053 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.748 0.082 -4.488 1.00 8.12 H new ATOM 417 N LYS A 27 -1.120 0.067 -4.722 1.00 2.64 N ATOM 418 CA LYS A 27 -2.602 0.149 -4.715 1.00 4.14 C ATOM 419 C LYS A 27 -3.237 -0.517 -5.899 1.00 5.58 C ATOM 420 O LYS A 27 -4.150 -1.320 -5.741 1.00 4.11 O ATOM 421 CB LYS A 27 -3.196 1.555 -4.499 1.00 3.97 C ATOM 422 CG LYS A 27 -2.874 2.169 -3.124 1.00 7.45 C ATOM 423 CD LYS A 27 -3.424 3.535 -2.946 1.00 9.02 C ATOM 424 CE LYS A 27 -3.174 4.159 -1.583 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.676 5.511 -1.458 1.00 15.47 N ATOM 0 H LYS A 27 -0.696 0.994 -4.705 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.862 -0.416 -3.820 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.822 2.219 -5.278 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.278 1.503 -4.617 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.271 1.521 -2.343 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.792 2.201 -2.993 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.996 4.184 -3.710 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.499 3.503 -3.122 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.639 3.537 -0.818 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.102 4.160 -1.385 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.160 6.004 -0.702 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.540 6.016 -2.357 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.689 5.485 -1.226 1.00 15.47 H new ATOM 439 N ALA A 28 -2.696 -0.291 -7.118 1.00 6.61 N ATOM 440 CA ALA A 28 -3.124 -0.963 -8.317 1.00 7.74 C ATOM 441 C ALA A 28 -2.756 -2.454 -8.424 1.00 9.17 C ATOM 442 O ALA A 28 -3.576 -3.216 -8.896 1.00 11.45 O ATOM 443 CB ALA A 28 -2.571 -0.156 -9.547 1.00 7.68 C ATOM 0 H ALA A 28 -1.941 0.377 -7.274 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.214 -0.977 -8.293 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.881 -0.644 -10.471 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.966 0.860 -9.523 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.482 -0.124 -9.501 1.00 7.68 H new ATOM 449 N LYS A 29 -1.568 -2.840 -7.928 1.00 8.96 N ATOM 450 CA LYS A 29 -1.207 -4.239 -7.820 1.00 7.90 C ATOM 451 C LYS A 29 -2.098 -5.014 -6.881 1.00 6.92 C ATOM 452 O LYS A 29 -2.534 -6.078 -7.291 1.00 6.87 O ATOM 453 CB LYS A 29 0.329 -4.397 -7.531 1.00 10.28 C ATOM 454 CG LYS A 29 0.850 -5.845 -7.608 1.00 14.94 C ATOM 455 CD LYS A 29 2.370 -5.996 -7.779 1.00 19.69 C ATOM 456 CE LYS A 29 2.970 -5.679 -9.167 1.00 22.63 C ATOM 457 NZ LYS A 29 4.396 -5.768 -9.195 1.00 24.98 N ATOM 0 H LYS A 29 -0.851 -2.193 -7.599 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.390 -4.704 -8.789 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.884 -3.787 -8.243 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.541 -4.001 -6.538 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.551 -6.368 -6.700 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.357 -6.346 -8.441 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.856 -5.350 -7.048 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.636 -7.022 -7.525 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.554 -6.368 -9.902 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.669 -4.675 -9.466 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.802 -4.814 -9.280 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.734 -6.211 -8.317 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.692 -6.344 -10.009 1.00 24.98 H new ATOM 471 N ILE A 30 -2.510 -4.454 -5.708 1.00 4.57 N ATOM 472 CA ILE A 30 -3.568 -4.957 -4.851 1.00 5.58 C ATOM 473 C ILE A 30 -4.954 -4.947 -5.462 1.00 7.26 C ATOM 474 O ILE A 30 -5.714 -5.846 -5.224 1.00 9.46 O ATOM 475 CB ILE A 30 -3.584 -4.197 -3.523 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.367 -4.558 -2.617 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.906 -4.390 -2.675 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.479 -5.912 -1.820 1.00 2.00 C ATOM 0 H ILE A 30 -2.082 -3.605 -5.339 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.325 -6.008 -4.695 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.529 -3.152 -3.829 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.474 -4.599 -3.241 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.219 -3.749 -1.902 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.832 -3.817 -1.751 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.762 -4.040 -3.251 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.035 -5.446 -2.438 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.578 -6.060 -1.225 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.347 -5.876 -1.161 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.590 -6.739 -2.521 1.00 2.00 H new ATOM 490 N GLN A 31 -5.282 -3.933 -6.325 1.00 7.06 N ATOM 491 CA GLN A 31 -6.545 -3.831 -7.108 1.00 8.67 C ATOM 492 C GLN A 31 -6.675 -5.053 -7.991 1.00 10.90 C ATOM 493 O GLN A 31 -7.737 -5.646 -8.054 1.00 9.63 O ATOM 494 CB GLN A 31 -6.761 -2.566 -7.966 1.00 9.12 C ATOM 495 CG GLN A 31 -8.133 -2.490 -8.669 1.00 10.76 C ATOM 496 CD GLN A 31 -8.296 -1.275 -9.620 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.315 -0.579 -9.627 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.303 -1.078 -10.527 1.00 14.76 N ATOM 0 H GLN A 31 -4.654 -3.147 -6.495 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.319 -3.761 -6.344 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.645 -1.688 -7.330 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.977 -2.518 -8.722 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.287 -3.406 -9.239 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.915 -2.451 -7.911 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.468 -1.664 -10.505 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.392 -0.344 -11.230 1.00 14.76 H new ATOM 507 N ASP A 32 -5.590 -5.479 -8.653 1.00 10.93 N ATOM 508 CA ASP A 32 -5.659 -6.726 -9.371 1.00 14.01 C ATOM 509 C ASP A 32 -5.877 -8.021 -8.540 1.00 14.04 C ATOM 510 O ASP A 32 -6.639 -8.928 -8.992 1.00 13.39 O ATOM 511 CB ASP A 32 -4.316 -6.949 -10.178 1.00 18.01 C ATOM 512 CG ASP A 32 -4.138 -6.019 -11.305 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.163 -5.451 -11.813 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.001 -5.795 -11.739 1.00 26.29 O ATOM 0 H ASP A 32 -4.696 -4.991 -8.698 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.549 -6.598 -9.987 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.472 -6.845 -9.496 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.296 -7.971 -10.556 1.00 18.01 H new ATOM 519 N LYS A 33 -5.254 -8.128 -7.334 1.00 14.22 N ATOM 520 CA LYS A 33 -5.403 -9.325 -6.529 1.00 14.00 C ATOM 521 C LYS A 33 -6.763 -9.349 -5.774 1.00 12.37 C ATOM 522 O LYS A 33 -7.404 -10.374 -5.832 1.00 12.17 O ATOM 523 CB LYS A 33 -4.171 -9.483 -5.496 1.00 18.62 C ATOM 524 CG LYS A 33 -2.851 -9.842 -6.140 1.00 24.00 C ATOM 525 CD LYS A 33 -1.743 -10.098 -5.137 1.00 27.61 C ATOM 526 CE LYS A 33 -0.347 -10.204 -5.749 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.161 -11.535 -6.395 1.00 30.06 N ATOM 0 H LYS A 33 -4.662 -7.406 -6.924 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.392 -10.176 -7.210 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.051 -8.548 -4.949 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.424 -10.250 -4.764 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.986 -10.731 -6.757 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.549 -9.034 -6.807 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.743 -9.294 -4.401 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.962 -11.021 -4.600 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.205 -9.413 -6.485 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.408 -10.060 -4.976 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.793 -11.591 -6.806 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.276 -12.285 -5.684 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.870 -11.658 -7.146 1.00 30.06 H new ATOM 541 N GLU A 34 -7.170 -8.199 -5.172 1.00 10.11 N ATOM 542 CA GLU A 34 -8.316 -8.105 -4.238 1.00 10.07 C ATOM 543 C GLU A 34 -9.530 -7.306 -4.835 1.00 9.32 C ATOM 544 O GLU A 34 -10.616 -7.398 -4.263 1.00 11.61 O ATOM 545 CB GLU A 34 -7.806 -7.453 -2.909 1.00 14.77 C ATOM 546 CG GLU A 34 -6.610 -8.213 -2.260 1.00 18.75 C ATOM 547 CD GLU A 34 -7.034 -9.524 -1.692 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.906 -9.692 -0.825 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.601 -10.613 -2.273 1.00 25.19 O ATOM 0 H GLU A 34 -6.704 -7.305 -5.326 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.697 -9.109 -4.050 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.506 -6.425 -3.110 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.629 -7.411 -2.196 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.833 -8.374 -3.007 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.173 -7.599 -1.472 1.00 18.75 H new ATOM 556 N GLY A 35 -9.420 -6.614 -5.986 1.00 7.22 N ATOM 557 CA GLY A 35 -10.575 -5.977 -6.536 1.00 6.29 C ATOM 558 C GLY A 35 -10.995 -4.748 -5.739 1.00 6.93 C ATOM 559 O GLY A 35 -12.155 -4.482 -5.558 1.00 7.41 O ATOM 0 H GLY A 35 -8.559 -6.498 -6.520 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.370 -5.686 -7.566 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.400 -6.688 -6.564 1.00 6.29 H new ATOM 563 N ILE A 36 -10.044 -3.956 -5.212 1.00 5.86 N ATOM 564 CA ILE A 36 -10.372 -2.721 -4.455 1.00 6.07 C ATOM 565 C ILE A 36 -9.797 -1.615 -5.303 1.00 6.36 C ATOM 566 O ILE A 36 -8.562 -1.635 -5.559 1.00 6.18 O ATOM 567 CB ILE A 36 -9.752 -2.691 -3.100 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.928 -4.040 -2.350 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.503 -1.666 -2.232 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.033 -4.083 -1.104 1.00 9.49 C ATOM 0 H ILE A 36 -9.044 -4.143 -5.292 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.445 -2.639 -4.283 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.696 -2.460 -3.243 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.971 -4.168 -2.060 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.677 -4.867 -3.014 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.058 -1.636 -1.238 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.433 -0.680 -2.691 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.551 -1.956 -2.152 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.169 -5.035 -0.591 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.990 -3.977 -1.402 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.304 -3.267 -0.433 1.00 9.49 H new ATOM 582 N PRO A 37 -10.606 -0.685 -5.812 1.00 8.65 N ATOM 583 CA PRO A 37 -10.178 0.549 -6.483 1.00 9.18 C ATOM 584 C PRO A 37 -9.194 1.390 -5.716 1.00 9.85 C ATOM 585 O PRO A 37 -9.487 1.703 -4.544 1.00 8.51 O ATOM 586 CB PRO A 37 -11.493 1.284 -6.816 1.00 11.42 C ATOM 587 CG PRO A 37 -12.553 0.193 -6.807 1.00 9.27 C ATOM 588 CD PRO A 37 -12.105 -0.720 -5.698 1.00 8.33 C ATOM 0 HA PRO A 37 -9.596 0.317 -7.375 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.713 2.057 -6.080 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.438 1.776 -7.787 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.546 0.599 -6.616 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.600 -0.329 -7.763 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.444 -0.367 -4.724 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.495 -1.730 -5.825 1.00 8.33 H new ATOM 596 N PRO A 38 -7.991 1.850 -6.183 1.00 8.71 N ATOM 597 CA PRO A 38 -7.080 2.773 -5.467 1.00 9.08 C ATOM 598 C PRO A 38 -7.729 3.924 -4.685 1.00 9.28 C ATOM 599 O PRO A 38 -7.318 4.131 -3.550 1.00 6.50 O ATOM 600 CB PRO A 38 -6.157 3.397 -6.558 1.00 10.31 C ATOM 601 CG PRO A 38 -6.110 2.365 -7.665 1.00 10.81 C ATOM 602 CD PRO A 38 -7.476 1.555 -7.491 1.00 12.00 C ATOM 0 HA PRO A 38 -6.576 2.178 -4.706 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.556 4.345 -6.918 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.161 3.600 -6.164 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.046 2.834 -8.647 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.243 1.712 -7.566 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.193 1.844 -8.259 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.303 0.485 -7.602 1.00 12.00 H new ATOM 610 N ASP A 39 -8.859 4.457 -5.193 1.00 11.20 N ATOM 611 CA ASP A 39 -9.699 5.448 -4.660 1.00 14.96 C ATOM 612 C ASP A 39 -10.218 5.069 -3.231 1.00 13.99 C ATOM 613 O ASP A 39 -10.401 5.904 -2.361 1.00 13.75 O ATOM 614 CB ASP A 39 -10.932 5.769 -5.550 1.00 24.16 C ATOM 615 CG ASP A 39 -10.574 6.185 -6.922 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.272 5.293 -7.776 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.528 7.383 -7.204 1.00 35.55 O ATOM 0 H ASP A 39 -9.210 4.136 -6.095 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.068 6.336 -4.612 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.573 4.889 -5.601 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.515 6.561 -5.079 1.00 24.16 H new ATOM 622 N GLN A 40 -10.347 3.779 -2.987 1.00 11.60 N ATOM 623 CA GLN A 40 -10.912 3.198 -1.737 1.00 10.76 C ATOM 624 C GLN A 40 -9.834 2.591 -0.878 1.00 8.01 C ATOM 625 O GLN A 40 -10.188 1.939 0.151 1.00 8.96 O ATOM 626 CB GLN A 40 -12.037 2.225 -2.062 1.00 11.14 C ATOM 627 CG GLN A 40 -13.253 2.887 -2.666 1.00 14.85 C ATOM 628 CD GLN A 40 -14.307 1.786 -2.877 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.641 1.065 -1.957 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.895 1.700 -4.082 1.00 18.16 N ATOM 0 H GLN A 40 -10.060 3.067 -3.659 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.350 4.000 -1.144 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.664 1.469 -2.753 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.332 1.705 -1.150 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.636 3.666 -2.006 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.001 3.366 -3.612 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.598 2.315 -4.839 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.638 1.019 -4.239 1.00 18.16 H new ATOM 639 N GLN A 41 -8.579 2.807 -1.184 1.00 6.52 N ATOM 640 CA GLN A 41 -7.474 2.217 -0.438 1.00 3.87 C ATOM 641 C GLN A 41 -6.656 3.350 0.187 1.00 4.79 C ATOM 642 O GLN A 41 -6.352 4.304 -0.512 1.00 6.34 O ATOM 643 CB GLN A 41 -6.572 1.299 -1.292 1.00 4.20 C ATOM 644 CG GLN A 41 -7.263 0.050 -2.005 1.00 3.20 C ATOM 645 CD GLN A 41 -6.178 -0.752 -2.699 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.134 -0.937 -2.106 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.370 -1.252 -3.887 1.00 7.13 N ATOM 0 H GLN A 41 -8.284 3.399 -1.960 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.897 1.571 0.332 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.103 1.910 -2.063 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.773 0.923 -0.653 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.784 -0.567 -1.273 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.008 0.387 -2.726 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.252 -1.088 -4.373 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.638 -1.807 -4.331 1.00 7.13 H new ATOM 656 N ARG A 42 -6.212 3.306 1.471 1.00 5.73 N ATOM 657 CA ARG A 42 -5.276 4.197 2.015 1.00 6.97 C ATOM 658 C ARG A 42 -4.290 3.255 2.741 1.00 7.15 C ATOM 659 O ARG A 42 -4.574 2.190 3.297 1.00 7.33 O ATOM 660 CB ARG A 42 -5.999 5.119 3.019 1.00 13.23 C ATOM 661 CG ARG A 42 -4.968 6.079 3.637 1.00 21.27 C ATOM 662 CD ARG A 42 -5.473 7.191 4.467 1.00 26.14 C ATOM 663 NE ARG A 42 -5.888 8.277 3.569 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.885 9.169 3.848 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.261 9.320 5.140 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.376 9.936 2.874 1.00 36.39 N ATOM 0 H ARG A 42 -6.536 2.608 2.140 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.781 4.840 1.287 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.786 5.682 2.517 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.479 4.527 3.798 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.285 5.489 4.248 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.380 6.507 2.825 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.313 6.860 5.077 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.699 7.538 5.151 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.400 8.372 2.678 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.803 8.776 5.871 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.002 9.978 5.382 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.007 9.855 1.926 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.120 10.603 3.077 1.00 36.39 H new ATOM 680 N LEU A 43 -2.994 3.634 2.764 1.00 4.65 N ATOM 681 CA LEU A 43 -1.962 2.809 3.340 1.00 3.51 C ATOM 682 C LEU A 43 -1.170 3.549 4.413 1.00 5.56 C ATOM 683 O LEU A 43 -0.756 4.705 4.160 1.00 4.19 O ATOM 684 CB LEU A 43 -0.869 2.245 2.337 1.00 3.74 C ATOM 685 CG LEU A 43 -1.398 1.406 1.162 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.200 1.159 0.143 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.015 0.122 1.743 1.00 6.41 C ATOM 0 H LEU A 43 -2.657 4.517 2.382 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.546 1.975 3.730 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.308 3.087 1.932 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.165 1.636 2.904 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.183 1.907 0.596 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.555 0.565 -0.699 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.172 2.117 -0.220 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.605 0.626 0.650 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.400 -0.496 0.932 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.253 -0.432 2.291 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.830 0.383 2.418 1.00 6.41 H new ATOM 699 N ILE A 44 -1.066 2.799 5.560 1.00 4.58 N ATOM 700 CA ILE A 44 -0.380 3.264 6.755 1.00 5.55 C ATOM 701 C ILE A 44 0.806 2.370 7.050 1.00 5.46 C ATOM 702 O ILE A 44 0.686 1.166 7.184 1.00 6.04 O ATOM 703 CB ILE A 44 -1.151 3.373 8.021 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.465 4.169 7.708 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.336 4.205 9.027 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.297 4.399 8.997 1.00 13.90 C ATOM 0 H ILE A 44 -1.463 1.864 5.653 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.126 4.288 6.480 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.364 2.383 8.425 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.214 5.129 7.257 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.062 3.621 6.979 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.891 4.293 9.961 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.618 3.714 9.217 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.157 5.199 8.617 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.203 4.953 8.751 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.567 3.437 9.432 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.706 4.969 9.714 1.00 13.90 H new ATOM 718 N PHE A 45 2.013 3.002 7.094 1.00 6.75 N ATOM 719 CA PHE A 45 3.240 2.287 7.382 1.00 4.70 C ATOM 720 C PHE A 45 3.915 2.967 8.560 1.00 6.34 C ATOM 721 O PHE A 45 4.188 4.155 8.432 1.00 5.45 O ATOM 722 CB PHE A 45 4.050 2.371 6.111 1.00 5.51 C ATOM 723 CG PHE A 45 5.449 1.741 6.261 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.584 0.384 6.505 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.573 2.580 6.167 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.838 -0.159 6.730 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.837 2.050 6.354 1.00 6.64 C ATOM 728 CZ PHE A 45 7.993 0.681 6.638 1.00 6.84 C ATOM 0 H PHE A 45 2.137 4.001 6.931 1.00 6.75 H new ATOM 0 HA PHE A 45 3.099 1.242 7.660 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.513 1.868 5.307 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.155 3.416 5.819 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.711 -0.251 6.520 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.451 3.631 5.950 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.943 -1.206 6.973 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.705 2.688 6.282 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.979 0.266 6.786 1.00 6.84 H new ATOM 738 N ALA A 46 4.149 2.174 9.638 1.00 6.53 N ATOM 739 CA ALA A 46 4.730 2.599 10.903 1.00 7.15 C ATOM 740 C ALA A 46 4.034 3.875 11.412 1.00 9.00 C ATOM 741 O ALA A 46 4.689 4.826 11.785 1.00 11.15 O ATOM 742 CB ALA A 46 6.209 2.760 10.733 1.00 8.99 C ATOM 0 H ALA A 46 3.922 1.180 9.631 1.00 6.53 H new ATOM 0 HA ALA A 46 4.569 1.841 11.670 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.651 3.078 11.677 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.646 1.809 10.430 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.408 3.510 9.968 1.00 8.99 H new ATOM 748 N GLY A 47 2.724 3.886 11.427 1.00 9.35 N ATOM 749 CA GLY A 47 1.973 4.936 11.990 1.00 11.68 C ATOM 750 C GLY A 47 1.823 6.147 11.189 1.00 11.14 C ATOM 751 O GLY A 47 1.109 7.068 11.598 1.00 13.93 O ATOM 0 H GLY A 47 2.154 3.138 11.033 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.977 4.556 12.219 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.434 5.212 12.938 1.00 11.68 H new ATOM 755 N LYS A 48 2.494 6.220 9.980 1.00 10.47 N ATOM 756 CA LYS A 48 2.447 7.378 9.125 1.00 8.82 C ATOM 757 C LYS A 48 1.805 6.930 7.828 1.00 7.68 C ATOM 758 O LYS A 48 1.802 5.786 7.463 1.00 6.47 O ATOM 759 CB LYS A 48 3.859 7.860 8.859 1.00 9.74 C ATOM 760 CG LYS A 48 4.286 8.912 9.884 1.00 14.14 C ATOM 761 CD LYS A 48 5.330 9.930 9.351 1.00 16.32 C ATOM 762 CE LYS A 48 6.763 9.601 9.643 1.00 20.04 C ATOM 763 NZ LYS A 48 7.177 8.434 8.932 1.00 23.92 N ATOM 0 H LYS A 48 3.067 5.461 9.612 1.00 10.47 H new ATOM 0 HA LYS A 48 1.884 8.192 9.581 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.547 7.015 8.893 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.920 8.281 7.855 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.403 9.456 10.220 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.700 8.407 10.756 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.208 10.016 8.271 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.107 10.909 9.776 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.397 10.443 9.366 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.892 9.443 10.714 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.177 8.238 9.139 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.597 7.623 9.228 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.059 8.590 7.911 1.00 23.92 H new ATOM 777 N GLN A 49 1.267 7.878 6.996 1.00 8.89 N ATOM 778 CA GLN A 49 0.706 7.556 5.707 1.00 7.18 C ATOM 779 C GLN A 49 1.639 7.587 4.482 1.00 8.23 C ATOM 780 O GLN A 49 2.666 8.273 4.577 1.00 9.70 O ATOM 781 CB GLN A 49 -0.476 8.518 5.446 1.00 11.67 C ATOM 782 CG GLN A 49 -1.712 8.382 6.403 1.00 15.82 C ATOM 783 CD GLN A 49 -2.838 9.383 6.161 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.180 9.535 4.983 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.483 9.951 7.190 1.00 20.67 N ATOM 0 H GLN A 49 1.226 8.870 7.228 1.00 8.89 H new ATOM 0 HA GLN A 49 0.427 6.506 5.792 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.105 9.541 5.511 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.819 8.368 4.422 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.117 7.375 6.306 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.368 8.489 7.432 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.159 9.793 8.144 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.297 10.541 7.018 1.00 20.67 H new ATOM 794 N LEU A 50 1.231 6.915 3.382 1.00 6.51 N ATOM 795 CA LEU A 50 1.866 6.931 2.101 1.00 7.41 C ATOM 796 C LEU A 50 0.997 7.486 0.963 1.00 8.27 C ATOM 797 O LEU A 50 -0.056 6.984 0.585 1.00 8.34 O ATOM 798 CB LEU A 50 2.310 5.422 1.849 1.00 7.13 C ATOM 799 CG LEU A 50 2.908 4.568 2.983 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.015 3.130 2.600 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.255 5.208 3.355 1.00 9.11 C ATOM 0 H LEU A 50 0.401 6.322 3.395 1.00 6.51 H new ATOM 0 HA LEU A 50 2.710 7.620 2.105 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.434 4.890 1.477 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.041 5.436 1.041 1.00 7.13 H new ATOM 0 HG LEU A 50 2.256 4.560 3.857 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.441 2.564 3.428 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.024 2.741 2.367 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.658 3.033 1.725 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.720 4.636 4.158 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.910 5.209 2.484 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.091 6.233 3.687 1.00 9.11 H new ATOM 813 N GLU A 51 1.559 8.545 0.392 1.00 9.43 N ATOM 814 CA GLU A 51 0.983 9.351 -0.718 1.00 11.90 C ATOM 815 C GLU A 51 1.286 8.701 -2.066 1.00 11.49 C ATOM 816 O GLU A 51 2.372 8.180 -2.330 1.00 9.88 O ATOM 817 CB GLU A 51 1.532 10.821 -0.801 1.00 16.56 C ATOM 818 CG GLU A 51 0.971 11.726 -1.912 1.00 26.06 C ATOM 819 CD GLU A 51 1.570 13.143 -1.688 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.181 13.863 -0.696 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.413 13.656 -2.483 1.00 33.44 O ATOM 0 H GLU A 51 2.469 8.894 0.692 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.085 9.387 -0.502 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.342 11.306 0.156 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.614 10.770 -0.923 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.243 11.343 -2.896 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.118 11.757 -1.872 1.00 26.06 H new ATOM 828 N ASP A 52 0.214 8.589 -2.948 1.00 12.71 N ATOM 829 CA ASP A 52 0.256 7.812 -4.176 1.00 16.56 C ATOM 830 C ASP A 52 1.398 8.065 -5.183 1.00 15.83 C ATOM 831 O ASP A 52 1.951 7.068 -5.722 1.00 17.21 O ATOM 832 CB ASP A 52 -1.101 7.884 -4.898 1.00 21.05 C ATOM 833 CG ASP A 52 -2.327 7.760 -4.042 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.658 6.633 -3.671 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.049 8.809 -3.882 1.00 25.82 O ATOM 0 H ASP A 52 -0.682 9.049 -2.790 1.00 12.71 H new ATOM 0 HA ASP A 52 0.485 6.813 -3.805 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.153 8.833 -5.431 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.129 7.095 -5.649 1.00 21.05 H new ATOM 840 N GLY A 53 1.800 9.321 -5.464 1.00 15.00 N ATOM 841 CA GLY A 53 2.667 9.699 -6.520 1.00 11.77 C ATOM 842 C GLY A 53 4.054 9.678 -6.166 1.00 11.10 C ATOM 843 O GLY A 53 4.821 10.272 -6.925 1.00 11.25 O ATOM 0 H GLY A 53 1.492 10.120 -4.909 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.507 9.030 -7.365 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.402 10.702 -6.853 1.00 11.77 H new ATOM 847 N ARG A 54 4.413 9.053 -4.986 1.00 8.53 N ATOM 848 CA ARG A 54 5.731 8.906 -4.462 1.00 9.05 C ATOM 849 C ARG A 54 6.185 7.497 -4.333 1.00 8.96 C ATOM 850 O ARG A 54 5.413 6.570 -4.168 1.00 11.60 O ATOM 851 CB ARG A 54 5.643 9.420 -3.001 1.00 7.97 C ATOM 852 CG ARG A 54 5.154 10.839 -2.810 1.00 9.62 C ATOM 853 CD ARG A 54 5.669 11.575 -1.570 1.00 12.20 C ATOM 854 NE ARG A 54 4.668 12.693 -1.219 1.00 18.23 N ATOM 855 CZ ARG A 54 4.797 13.369 -0.055 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.757 13.176 0.874 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.879 14.311 0.176 1.00 23.38 N ATOM 0 H ARG A 54 3.712 8.631 -4.377 1.00 8.53 H new ATOM 0 HA ARG A 54 6.415 9.427 -5.132 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.983 8.754 -2.445 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.632 9.337 -2.551 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.432 11.418 -3.691 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.065 10.823 -2.770 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.774 10.883 -0.734 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.656 11.996 -1.761 1.00 12.20 H new ATOM 0 HE ARG A 54 3.911 12.922 -1.863 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.473 12.465 0.727 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.766 13.741 1.723 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.141 14.482 -0.507 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.916 14.860 1.035 1.00 23.38 H new ATOM 871 N THR A 55 7.530 7.262 -4.317 1.00 9.05 N ATOM 872 CA THR A 55 8.078 5.942 -4.429 1.00 9.03 C ATOM 873 C THR A 55 8.301 5.360 -3.093 1.00 8.15 C ATOM 874 O THR A 55 8.444 6.050 -2.046 1.00 5.91 O ATOM 875 CB THR A 55 9.264 5.732 -5.283 1.00 11.15 C ATOM 876 OG1 THR A 55 10.344 6.420 -4.700 1.00 11.95 O ATOM 877 CG2 THR A 55 9.015 6.327 -6.680 1.00 11.71 C ATOM 0 H THR A 55 8.231 7.998 -4.226 1.00 9.05 H new ATOM 0 HA THR A 55 7.298 5.419 -4.982 1.00 9.03 H new ATOM 0 HB THR A 55 9.471 4.666 -5.372 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.146 6.295 -5.249 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.894 6.169 -7.305 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.153 5.839 -7.135 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.821 7.396 -6.591 1.00 11.71 H new ATOM 885 N LEU A 56 8.276 4.033 -3.080 1.00 6.91 N ATOM 886 CA LEU A 56 8.568 3.207 -1.911 1.00 8.29 C ATOM 887 C LEU A 56 9.890 3.463 -1.260 1.00 8.05 C ATOM 888 O LEU A 56 9.962 3.570 -0.039 1.00 10.17 O ATOM 889 CB LEU A 56 8.394 1.701 -2.221 1.00 6.60 C ATOM 890 CG LEU A 56 6.995 1.017 -2.424 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.101 -0.300 -3.137 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.191 0.796 -1.106 1.00 8.64 C ATOM 0 H LEU A 56 8.045 3.483 -3.908 1.00 6.91 H new ATOM 0 HA LEU A 56 7.825 3.515 -1.176 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.966 1.506 -3.128 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.886 1.162 -1.411 1.00 6.60 H new ATOM 0 HG LEU A 56 6.448 1.733 -3.037 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.107 -0.732 -3.253 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.547 -0.147 -4.120 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.726 -0.979 -2.557 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.238 0.319 -1.337 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.763 0.157 -0.434 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.009 1.757 -0.625 1.00 8.64 H new ATOM 904 N SER A 57 10.871 3.728 -2.092 1.00 8.92 N ATOM 905 CA SER A 57 12.202 3.998 -1.520 1.00 9.00 C ATOM 906 C SER A 57 12.358 5.436 -1.001 1.00 9.44 C ATOM 907 O SER A 57 13.091 5.646 -0.058 1.00 10.91 O ATOM 908 CB SER A 57 13.372 3.730 -2.428 1.00 10.32 C ATOM 909 OG SER A 57 13.275 4.618 -3.567 1.00 13.59 O ATOM 0 H SER A 57 10.800 3.766 -3.109 1.00 8.92 H new ATOM 0 HA SER A 57 12.232 3.279 -0.702 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.310 3.894 -1.897 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.368 2.690 -2.755 1.00 10.32 H new ATOM 0 HG SER A 57 12.600 4.277 -4.191 1.00 13.59 H new ATOM 915 N ASP A 58 11.555 6.400 -1.541 1.00 9.11 N ATOM 916 CA ASP A 58 11.370 7.751 -1.000 1.00 7.91 C ATOM 917 C ASP A 58 10.832 7.750 0.438 1.00 9.12 C ATOM 918 O ASP A 58 11.245 8.522 1.309 1.00 8.61 O ATOM 919 CB ASP A 58 10.423 8.671 -1.819 1.00 8.41 C ATOM 920 CG ASP A 58 10.550 10.123 -1.500 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.724 10.579 -1.256 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.542 10.877 -1.684 1.00 10.05 O ATOM 0 H ASP A 58 11.010 6.238 -2.388 1.00 9.11 H new ATOM 0 HA ASP A 58 12.383 8.151 -1.049 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.623 8.525 -2.881 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.393 8.361 -1.643 1.00 8.41 H new ATOM 927 N TYR A 59 9.901 6.829 0.730 1.00 7.97 N ATOM 928 CA TYR A 59 9.373 6.549 2.057 1.00 8.45 C ATOM 929 C TYR A 59 10.209 5.595 2.959 1.00 10.98 C ATOM 930 O TYR A 59 9.889 5.275 4.121 1.00 12.95 O ATOM 931 CB TYR A 59 7.972 5.870 1.965 1.00 7.94 C ATOM 932 CG TYR A 59 6.982 6.923 1.673 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.637 7.829 2.688 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.217 6.895 0.510 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.569 8.642 2.506 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.143 7.782 0.328 1.00 6.52 C ATOM 937 CZ TYR A 59 4.881 8.704 1.331 1.00 6.76 C ATOM 938 OH TYR A 59 3.955 9.756 1.177 1.00 7.63 O ATOM 0 H TYR A 59 9.483 6.238 0.011 1.00 7.97 H new ATOM 0 HA TYR A 59 9.371 7.540 2.510 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.965 5.111 1.183 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.729 5.366 2.900 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.214 7.877 3.600 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.453 6.180 -0.264 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.249 9.267 3.326 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.539 7.747 -0.567 1.00 6.52 H new ATOM 0 HH TYR A 59 4.254 10.533 1.693 1.00 7.63 H new ATOM 948 N ASN A 60 11.318 5.076 2.383 1.00 12.38 N ATOM 949 CA ASN A 60 12.417 4.393 3.053 1.00 13.94 C ATOM 950 C ASN A 60 12.055 3.030 3.545 1.00 14.16 C ATOM 951 O ASN A 60 12.406 2.652 4.660 1.00 14.26 O ATOM 952 CB ASN A 60 13.002 5.208 4.267 1.00 19.23 C ATOM 953 CG ASN A 60 13.386 6.654 3.974 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.734 7.504 4.498 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.366 6.804 3.055 1.00 24.09 N ATOM 0 H ASN A 60 11.465 5.134 1.375 1.00 12.38 H new ATOM 0 HA ASN A 60 13.176 4.304 2.276 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.266 5.203 5.071 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.884 4.686 4.639 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.623 7.736 2.731 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.848 5.985 2.685 1.00 24.09 H new ATOM 962 N ILE A 61 11.252 2.319 2.741 1.00 11.08 N ATOM 963 CA ILE A 61 10.582 1.082 3.084 1.00 11.78 C ATOM 964 C ILE A 61 11.510 -0.092 2.701 1.00 13.74 C ATOM 965 O ILE A 61 11.923 -0.197 1.544 1.00 14.60 O ATOM 966 CB ILE A 61 9.211 0.894 2.452 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.426 2.166 2.789 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.421 -0.351 3.008 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.087 2.329 2.088 1.00 11.42 C ATOM 0 H ILE A 61 11.050 2.617 1.787 1.00 11.08 H new ATOM 0 HA ILE A 61 10.389 1.117 4.156 1.00 11.78 H new ATOM 0 HB ILE A 61 9.333 0.717 1.383 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.255 2.189 3.865 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.048 3.028 2.546 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.454 -0.420 2.510 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.993 -1.259 2.817 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.270 -0.236 4.081 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.623 3.263 2.403 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.241 2.346 1.009 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.436 1.494 2.348 1.00 11.42 H new ATOM 981 N GLN A 62 11.962 -0.861 3.697 1.00 13.97 N ATOM 982 CA GLN A 62 12.828 -2.001 3.448 1.00 15.52 C ATOM 983 C GLN A 62 12.068 -3.298 3.142 1.00 13.94 C ATOM 984 O GLN A 62 10.861 -3.417 3.387 1.00 12.15 O ATOM 985 CB GLN A 62 13.852 -2.211 4.584 1.00 19.53 C ATOM 986 CG GLN A 62 14.629 -0.908 5.063 1.00 26.38 C ATOM 987 CD GLN A 62 15.763 -1.188 6.088 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.267 -2.301 6.293 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.089 -0.147 6.897 1.00 32.71 N ATOM 0 H GLN A 62 11.738 -0.709 4.680 1.00 13.97 H new ATOM 0 HA GLN A 62 13.377 -1.749 2.541 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.333 -2.638 5.442 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.585 -2.948 4.256 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.056 -0.411 4.192 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.915 -0.215 5.507 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.679 0.773 6.735 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.744 -0.285 7.666 1.00 32.71 H new ATOM 998 N LYS A 63 12.702 -4.250 2.436 1.00 11.73 N ATOM 999 CA LYS A 63 12.196 -5.561 2.113 1.00 11.97 C ATOM 1000 C LYS A 63 11.492 -6.289 3.338 1.00 10.41 C ATOM 1001 O LYS A 63 11.873 -6.090 4.479 1.00 9.59 O ATOM 1002 CB LYS A 63 13.185 -6.551 1.485 1.00 13.73 C ATOM 1003 CG LYS A 63 14.328 -7.007 2.475 1.00 16.98 C ATOM 1004 CD LYS A 63 15.392 -7.883 1.781 1.00 20.19 C ATOM 1005 CE LYS A 63 16.295 -7.154 0.798 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.299 -8.134 0.295 1.00 25.97 N ATOM 0 H LYS A 63 13.638 -4.098 2.060 1.00 11.73 H new ATOM 0 HA LYS A 63 11.468 -5.305 1.343 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.639 -7.430 1.142 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.637 -6.093 0.605 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.808 -6.126 2.902 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.888 -7.562 3.303 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.015 -8.344 2.547 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.885 -8.691 1.253 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.712 -6.746 -0.027 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.791 -6.314 1.284 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.934 -7.664 -0.382 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.855 -8.502 1.093 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.810 -8.921 -0.178 1.00 25.97 H new ATOM 1020 N GLU A 64 10.389 -6.996 3.065 1.00 10.04 N ATOM 1021 CA GLU A 64 9.709 -7.790 4.060 1.00 10.94 C ATOM 1022 C GLU A 64 8.900 -6.968 5.084 1.00 9.74 C ATOM 1023 O GLU A 64 8.364 -7.539 6.024 1.00 9.42 O ATOM 1024 CB GLU A 64 10.645 -8.849 4.791 1.00 18.31 C ATOM 1025 CG GLU A 64 11.255 -9.761 3.779 1.00 24.16 C ATOM 1026 CD GLU A 64 12.038 -10.823 4.468 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.533 -11.858 4.928 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.267 -10.668 4.516 1.00 31.72 O ATOM 0 H GLU A 64 9.953 -7.025 2.143 1.00 10.04 H new ATOM 0 HA GLU A 64 8.985 -8.355 3.473 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.427 -8.334 5.349 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.065 -9.425 5.512 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.475 -10.211 3.164 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.902 -9.195 3.109 1.00 24.16 H new ATOM 1035 N SER A 65 8.782 -5.637 4.883 1.00 6.85 N ATOM 1036 CA SER A 65 8.005 -4.727 5.682 1.00 6.90 C ATOM 1037 C SER A 65 6.569 -5.031 5.500 1.00 4.72 C ATOM 1038 O SER A 65 6.088 -5.659 4.595 1.00 3.91 O ATOM 1039 CB SER A 65 8.303 -3.274 5.340 1.00 7.28 C ATOM 1040 OG SER A 65 9.652 -3.017 5.745 1.00 10.56 O ATOM 0 H SER A 65 9.259 -5.167 4.114 1.00 6.85 H new ATOM 0 HA SER A 65 8.277 -4.862 6.729 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.181 -3.096 4.272 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.612 -2.607 5.855 1.00 7.28 H new ATOM 0 HG SER A 65 10.267 -3.321 5.045 1.00 10.56 H new ATOM 1046 N THR A 66 5.827 -4.584 6.514 1.00 4.48 N ATOM 1047 CA THR A 66 4.369 -4.737 6.592 1.00 3.80 C ATOM 1048 C THR A 66 3.652 -3.379 6.322 1.00 4.60 C ATOM 1049 O THR A 66 3.963 -2.473 7.082 1.00 5.33 O ATOM 1050 CB THR A 66 3.822 -5.334 7.823 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.361 -6.635 8.119 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.315 -5.554 7.742 1.00 3.40 C ATOM 0 H THR A 66 6.225 -4.098 7.317 1.00 4.48 H new ATOM 0 HA THR A 66 4.161 -5.468 5.811 1.00 3.80 H new ATOM 0 HB THR A 66 4.095 -4.610 8.591 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.960 -6.975 8.946 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.961 -5.996 8.674 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.816 -4.598 7.581 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.089 -6.225 6.913 1.00 3.40 H new ATOM 1060 N LEU A 67 2.749 -3.204 5.330 1.00 4.17 N ATOM 1061 CA LEU A 67 1.938 -1.996 5.089 1.00 3.85 C ATOM 1062 C LEU A 67 0.545 -2.334 5.516 1.00 3.80 C ATOM 1063 O LEU A 67 -0.069 -3.335 5.163 1.00 5.54 O ATOM 1064 CB LEU A 67 1.986 -1.629 3.616 1.00 7.18 C ATOM 1065 CG LEU A 67 3.315 -1.005 3.134 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.490 -1.990 2.981 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.277 -0.453 1.720 1.00 11.66 C ATOM 0 H LEU A 67 2.560 -3.937 4.646 1.00 4.17 H new ATOM 0 HA LEU A 67 2.312 -1.137 5.646 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.791 -2.526 3.028 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.178 -0.928 3.406 1.00 7.18 H new ATOM 0 HG LEU A 67 3.449 -0.262 3.920 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.374 -1.452 2.639 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.700 -2.458 3.943 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.228 -2.758 2.253 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.251 -0.035 1.466 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.033 -1.255 1.023 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.519 0.328 1.654 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.008 -1.544 6.475 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.319 -1.704 7.009 1.00 4.17 C ATOM 1081 C HIS A 68 -2.259 -0.971 6.049 1.00 5.32 C ATOM 1082 O HIS A 68 -2.058 0.159 5.599 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.441 -0.987 8.422 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.427 -1.374 9.436 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.904 -0.989 9.354 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.499 -2.322 10.433 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.522 -1.669 10.342 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.743 -2.457 11.025 1.00 16.30 N ATOM 0 H HIS A 68 0.495 -0.759 6.889 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.552 -2.763 7.124 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.379 0.090 8.268 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.431 -1.194 8.829 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.323 -0.336 8.692 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.386 -2.873 10.709 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.577 -1.568 10.549 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.355 -1.665 5.582 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.338 -1.195 4.602 1.00 3.97 C ATOM 1098 C LEU A 69 -5.522 -0.687 5.346 1.00 5.07 C ATOM 1099 O LEU A 69 -6.181 -1.393 6.100 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.836 -2.291 3.645 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.830 -1.975 2.521 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.317 -0.963 1.394 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.320 -3.356 2.000 1.00 9.96 C ATOM 0 H LEU A 69 -3.564 -2.608 5.910 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.843 -0.433 4.000 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.954 -2.728 3.176 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.289 -3.069 4.260 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.662 -1.388 2.911 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.103 -0.815 0.653 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.065 -0.006 1.852 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.434 -1.377 0.908 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.036 -3.207 1.192 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.469 -3.928 1.630 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.799 -3.902 2.813 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.949 0.580 5.111 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.070 1.269 5.647 1.00 6.26 C ATOM 1117 C VAL A 70 -7.966 1.563 4.496 1.00 9.22 C ATOM 1118 O VAL A 70 -7.508 1.633 3.396 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.671 2.572 6.281 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.822 3.298 6.941 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.725 2.244 7.428 1.00 8.54 C ATOM 0 H VAL A 70 -5.434 1.178 4.465 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.546 0.659 6.414 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.253 3.193 5.489 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.462 4.230 7.378 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.588 3.518 6.197 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.247 2.670 7.724 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.411 3.167 7.916 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.236 1.607 8.150 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.850 1.723 7.040 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.278 1.596 4.698 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.223 1.872 3.562 1.00 16.06 C ATOM 1133 C LEU A 71 -10.340 3.389 3.438 1.00 18.09 C ATOM 1134 O LEU A 71 -10.379 4.128 4.429 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.610 1.277 3.689 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.629 -0.257 3.768 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.912 -0.768 4.384 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.209 -0.988 2.467 1.00 19.57 C ATOM 0 H LEU A 71 -9.726 1.443 5.601 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.801 1.388 2.682 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.087 1.682 4.581 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.209 1.594 2.835 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.826 -0.526 4.455 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.888 -1.857 4.423 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.014 -0.371 5.394 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.760 -0.445 3.780 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.255 -2.066 2.624 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.886 -0.710 1.659 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.191 -0.703 2.202 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.360 3.891 2.217 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.412 5.343 1.986 1.00 25.83 C ATOM 1152 C ARG A 72 -11.834 5.649 1.662 1.00 27.74 C ATOM 1153 O ARG A 72 -12.358 5.329 0.599 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.586 5.791 0.751 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.591 7.289 0.645 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.442 7.804 -0.307 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.504 9.303 -0.260 1.00 35.08 N ATOM 1158 CZ ARG A 72 -7.675 10.085 -0.993 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.572 9.567 -1.559 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.046 11.382 -1.084 1.00 35.02 N ATOM 0 H ARG A 72 -10.341 3.327 1.367 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.015 5.849 2.866 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.562 5.428 0.837 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.005 5.353 -0.155 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.557 7.625 0.267 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.467 7.726 1.636 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.469 7.443 0.026 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.586 7.440 -1.324 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.194 9.748 0.345 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.353 8.578 -1.438 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -5.953 10.163 -2.109 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -8.895 11.703 -0.619 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -7.477 12.039 -1.618 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.490 6.438 2.580 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.779 7.056 2.362 1.00 30.76 C ATOM 1176 C LEU A 73 -13.554 8.514 2.015 1.00 32.18 C ATOM 1177 O LEU A 73 -12.414 8.969 2.008 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.644 7.089 3.654 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.864 5.661 4.216 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.498 5.694 5.604 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.715 4.815 3.310 1.00 29.11 C ATOM 0 H LEU A 73 -12.100 6.645 3.500 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.280 6.481 1.583 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.155 7.708 4.407 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.608 7.551 3.438 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.873 5.212 4.282 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.637 4.675 5.965 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.846 6.236 6.289 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.465 6.195 5.551 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.840 3.825 3.748 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.692 5.283 3.187 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.231 4.723 2.337 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.610 9.265 1.664 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.515 10.680 1.385 1.00 35.33 C ATOM 1195 C ARG A 74 -14.406 11.592 2.654 1.00 36.22 C ATOM 1196 O ARG A 74 -14.913 11.279 3.741 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.641 11.150 0.474 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.784 10.436 -0.896 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.742 10.739 -1.924 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.052 9.877 -3.124 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.345 9.749 -4.233 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.131 10.272 -4.444 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.887 9.008 -5.237 1.00 41.93 N ATOM 0 H ARG A 74 -15.554 8.891 1.569 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.565 10.794 0.862 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.582 11.039 1.013 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.504 12.215 0.288 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.786 9.360 -0.720 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.758 10.692 -1.313 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.759 11.795 -2.192 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.745 10.523 -1.540 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.910 9.328 -3.073 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -12.679 10.822 -3.714 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.658 10.121 -5.335 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.804 8.578 -5.116 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.376 8.882 -6.111 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.689 12.684 2.550 1.00 36.31 N ATOM 1218 CA GLY A 75 -13.591 13.814 3.514 1.00 36.07 C ATOM 1219 C GLY A 75 -12.565 13.625 4.582 1.00 36.16 C ATOM 1220 O GLY A 75 -12.898 13.932 5.713 1.00 36.26 O ATOM 0 H GLY A 75 -13.102 12.843 1.731 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -13.361 14.726 2.964 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -14.564 13.961 3.983 1.00 36.07 H new ATOM 1224 N GLY A 76 -11.424 12.962 4.276 1.00 36.05 N ATOM 1225 CA GLY A 76 -10.413 12.905 5.294 1.00 36.19 C ATOM 1226 C GLY A 76 -9.583 11.690 4.870 1.00 36.20 C ATOM 1227 O GLY A 76 -9.513 10.702 5.649 1.00 0.00 O ATOM 1228 OXT GLY A 76 -8.877 11.809 3.849 1.00 0.00 O ATOM 0 H GLY A 76 -11.211 12.498 3.393 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -9.814 13.815 5.323 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -10.844 12.776 6.287 1.00 36.19 H new TER 1232 GLY A 76