USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=20 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 127:sc= 0.166 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.397 USER MOD Set 2.1: A 7 THR OG1 : rot 128:sc= 1.54 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.12 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 164:sc= 0.419 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 150:sc= 0.51 USER MOD Single : A 1 MET CE :methyl -145:sc= 0 (180deg=-0.48) USER MOD Single : A 1 MET N :NH3+ 127:sc= 1.39 (180deg=0.938) USER MOD Single : A 2 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.51) USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= 0.904 (180deg=-0.199!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 1.22 (180deg=0.435) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= -0.917 K(o=-0.92,f=-0.0092) USER MOD Single : A 33 LYS NZ :NH3+ -143:sc= 1.23 (180deg=0.341) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 41 GLN : amide:sc= 0.731 K(o=0.73,f=-2.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.32 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 62 GLN : amide:sc= -0.265 K(o=-0.27,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ -99:sc= 1.11 (180deg=0.411) USER MOD Single : A 65 SER OG : rot 83:sc= 1.41 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.137 K(o=0.14,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.677 -6.717 -4.688 1.00 9.67 N ATOM 2 CA MET A 1 11.540 -7.405 -3.356 1.00 10.38 C ATOM 3 C MET A 1 10.065 -7.808 -3.040 1.00 9.62 C ATOM 4 O MET A 1 9.143 -7.288 -3.723 1.00 9.62 O ATOM 5 CB MET A 1 12.080 -6.376 -2.300 1.00 13.77 C ATOM 6 CG MET A 1 11.137 -5.153 -2.034 1.00 16.29 C ATOM 7 SD MET A 1 11.655 -3.736 -3.036 1.00 17.17 S ATOM 8 CE MET A 1 10.389 -2.695 -2.196 1.00 16.11 C ATOM 0 H1 MET A 1 12.175 -5.812 -4.562 1.00 9.67 H new ATOM 0 H2 MET A 1 12.219 -7.322 -5.337 1.00 9.67 H new ATOM 0 H3 MET A 1 10.733 -6.540 -5.086 1.00 9.67 H new ATOM 0 HA MET A 1 12.099 -8.341 -3.345 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.249 -6.898 -1.358 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.048 -6.004 -2.637 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.107 -5.420 -2.272 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.161 -4.889 -0.977 1.00 16.29 H new ATOM 0 HE1 MET A 1 9.981 -1.975 -2.905 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.586 -3.330 -1.821 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.849 -2.163 -1.363 1.00 16.11 H new ATOM 20 N GLN A 2 9.838 -8.716 -2.035 1.00 9.27 N ATOM 21 CA GLN A 2 8.448 -8.763 -1.521 1.00 9.07 C ATOM 22 C GLN A 2 8.169 -7.761 -0.426 1.00 8.72 C ATOM 23 O GLN A 2 9.078 -7.130 0.096 1.00 8.22 O ATOM 24 CB GLN A 2 8.177 -10.212 -0.997 1.00 14.46 C ATOM 25 CG GLN A 2 8.096 -11.139 -2.202 1.00 17.01 C ATOM 26 CD GLN A 2 7.774 -12.535 -1.777 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.860 -13.222 -2.288 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.581 -13.157 -0.903 1.00 19.49 N ATOM 0 H GLN A 2 10.516 -9.351 -1.613 1.00 9.27 H new ATOM 0 HA GLN A 2 7.781 -8.497 -2.341 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.974 -10.530 -0.324 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.248 -10.244 -0.428 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.333 -10.779 -2.893 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.044 -11.127 -2.740 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.342 -12.644 -0.457 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.433 -14.142 -0.685 1.00 19.49 H new ATOM 37 N ILE A 3 6.839 -7.527 -0.123 1.00 5.87 N ATOM 38 CA ILE A 3 6.355 -6.714 1.016 1.00 5.07 C ATOM 39 C ILE A 3 5.092 -7.420 1.485 1.00 4.01 C ATOM 40 O ILE A 3 4.444 -8.042 0.698 1.00 4.61 O ATOM 41 CB ILE A 3 6.013 -5.284 0.754 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.144 -5.107 -0.444 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.311 -4.559 0.587 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.647 -3.726 -0.650 1.00 10.83 C ATOM 0 H ILE A 3 6.079 -7.912 -0.683 1.00 5.87 H new ATOM 0 HA ILE A 3 7.177 -6.652 1.730 1.00 5.07 H new ATOM 0 HB ILE A 3 5.435 -4.885 1.587 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.702 -5.414 -1.329 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.289 -5.777 -0.358 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.116 -3.504 0.392 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.902 -4.657 1.498 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.862 -4.987 -0.251 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.024 -3.693 -1.544 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.058 -3.419 0.214 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.493 -3.049 -0.772 1.00 10.83 H new ATOM 56 N PHE A 4 4.774 -7.277 2.758 1.00 4.55 N ATOM 57 CA PHE A 4 3.556 -7.768 3.363 1.00 4.68 C ATOM 58 C PHE A 4 2.538 -6.645 3.634 1.00 5.30 C ATOM 59 O PHE A 4 2.921 -5.634 4.207 1.00 5.58 O ATOM 60 CB PHE A 4 3.725 -8.535 4.675 1.00 4.83 C ATOM 61 CG PHE A 4 4.903 -9.433 4.541 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.808 -10.652 3.863 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.079 -9.194 5.317 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.980 -11.478 3.759 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.140 -10.113 5.267 1.00 10.61 C ATOM 66 CZ PHE A 4 7.121 -11.254 4.461 1.00 8.90 C ATOM 0 H PHE A 4 5.382 -6.797 3.422 1.00 4.55 H new ATOM 0 HA PHE A 4 3.197 -8.466 2.606 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.868 -7.842 5.504 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.828 -9.115 4.894 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.872 -10.967 3.426 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.151 -8.313 5.937 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.952 -12.322 3.086 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.010 -9.929 5.880 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.968 -11.922 4.399 1.00 8.90 H new ATOM 76 N VAL A 5 1.228 -6.744 3.240 1.00 4.44 N ATOM 77 CA VAL A 5 0.232 -5.713 3.559 1.00 3.87 C ATOM 78 C VAL A 5 -0.866 -6.324 4.406 1.00 4.93 C ATOM 79 O VAL A 5 -1.425 -7.354 4.062 1.00 6.84 O ATOM 80 CB VAL A 5 -0.252 -5.089 2.192 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.426 -4.204 2.440 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.820 -4.193 1.589 1.00 9.13 C ATOM 0 H VAL A 5 0.857 -7.529 2.705 1.00 4.44 H new ATOM 0 HA VAL A 5 0.637 -4.899 4.160 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.487 -5.917 1.523 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.762 -3.772 1.497 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.235 -4.787 2.880 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.141 -3.405 3.124 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.460 -3.777 0.648 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.048 -3.382 2.281 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.722 -4.777 1.405 1.00 9.13 H new ATOM 92 N LYS A 6 -1.206 -5.628 5.547 1.00 6.04 N ATOM 93 CA LYS A 6 -2.094 -6.210 6.514 1.00 6.12 C ATOM 94 C LYS A 6 -3.395 -5.356 6.683 1.00 6.57 C ATOM 95 O LYS A 6 -3.371 -4.154 6.996 1.00 5.76 O ATOM 96 CB LYS A 6 -1.445 -6.191 7.926 1.00 7.45 C ATOM 97 CG LYS A 6 -0.365 -7.240 8.065 1.00 11.12 C ATOM 98 CD LYS A 6 0.079 -7.408 9.553 1.00 14.54 C ATOM 99 CE LYS A 6 1.011 -8.633 9.895 1.00 18.84 C ATOM 100 NZ LYS A 6 0.380 -9.922 9.586 1.00 20.55 N ATOM 0 H LYS A 6 -0.869 -4.694 5.778 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.308 -7.217 6.155 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.020 -5.205 8.117 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.213 -6.359 8.681 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.730 -8.193 7.683 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.495 -6.961 7.456 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.595 -6.497 9.856 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.819 -7.485 10.166 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.942 -8.544 9.335 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.271 -8.604 10.953 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.105 -10.668 9.567 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.328 -10.146 10.315 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.085 -9.867 8.657 1.00 20.55 H new ATOM 114 N THR A 7 -4.596 -5.965 6.534 1.00 7.41 N ATOM 115 CA THR A 7 -5.845 -5.288 6.765 1.00 7.48 C ATOM 116 C THR A 7 -6.426 -5.295 8.206 1.00 8.75 C ATOM 117 O THR A 7 -6.156 -6.169 9.018 1.00 8.58 O ATOM 118 CB THR A 7 -6.918 -5.763 5.764 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.447 -7.091 6.093 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.512 -5.862 4.328 1.00 9.17 C ATOM 0 H THR A 7 -4.700 -6.939 6.250 1.00 7.41 H new ATOM 0 HA THR A 7 -5.576 -4.244 6.608 1.00 7.48 H new ATOM 0 HB THR A 7 -7.650 -4.962 5.869 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.426 -7.055 6.124 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.358 -6.207 3.734 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.193 -4.882 3.972 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.688 -6.569 4.231 1.00 9.17 H new ATOM 128 N LEU A 8 -7.280 -4.290 8.586 1.00 9.84 N ATOM 129 CA LEU A 8 -8.119 -4.344 9.813 1.00 14.15 C ATOM 130 C LEU A 8 -9.018 -5.605 9.833 1.00 17.37 C ATOM 131 O LEU A 8 -9.237 -6.233 10.869 1.00 17.01 O ATOM 132 CB LEU A 8 -8.953 -3.057 10.025 1.00 16.63 C ATOM 133 CG LEU A 8 -8.016 -1.807 10.183 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.014 -0.565 10.318 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.069 -1.907 11.396 1.00 18.59 C ATOM 0 H LEU A 8 -7.399 -3.431 8.050 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.428 -4.410 10.653 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.624 -2.910 9.179 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.577 -3.164 10.912 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.344 -1.714 9.330 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.438 0.353 10.433 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.632 -0.496 9.423 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.653 -0.704 11.190 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.449 -1.012 11.448 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.656 -1.995 12.310 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.431 -2.784 11.288 1.00 18.59 H new ATOM 147 N THR A 9 -9.527 -6.107 8.656 1.00 18.33 N ATOM 148 CA THR A 9 -10.445 -7.204 8.499 1.00 19.24 C ATOM 149 C THR A 9 -9.698 -8.514 8.587 1.00 19.48 C ATOM 150 O THR A 9 -10.269 -9.588 8.502 1.00 23.14 O ATOM 151 CB THR A 9 -11.109 -7.156 7.205 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.191 -6.849 6.143 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.116 -6.047 7.168 1.00 19.70 C ATOM 0 H THR A 9 -9.266 -5.703 7.757 1.00 18.33 H new ATOM 0 HA THR A 9 -11.188 -7.125 9.292 1.00 19.24 H new ATOM 0 HB THR A 9 -11.561 -8.139 7.071 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.673 -6.827 5.290 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.601 -6.028 6.192 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.865 -6.210 7.943 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.615 -5.095 7.342 1.00 19.70 H new ATOM 161 N GLY A 10 -8.348 -8.464 8.809 1.00 19.43 N ATOM 162 CA GLY A 10 -7.622 -9.592 9.281 1.00 18.74 C ATOM 163 C GLY A 10 -6.786 -10.293 8.188 1.00 17.62 C ATOM 164 O GLY A 10 -6.134 -11.301 8.584 1.00 19.74 O ATOM 0 H GLY A 10 -7.778 -7.632 8.655 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.959 -9.275 10.086 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.321 -10.311 9.708 1.00 18.74 H new ATOM 168 N LYS A 11 -6.738 -9.899 6.926 1.00 13.56 N ATOM 169 CA LYS A 11 -5.965 -10.545 5.861 1.00 11.91 C ATOM 170 C LYS A 11 -4.573 -9.909 5.635 1.00 10.18 C ATOM 171 O LYS A 11 -4.420 -8.724 5.362 1.00 9.10 O ATOM 172 CB LYS A 11 -6.769 -10.483 4.511 1.00 13.43 C ATOM 173 CG LYS A 11 -6.204 -11.317 3.321 1.00 16.69 C ATOM 174 CD LYS A 11 -7.138 -11.414 2.107 1.00 17.92 C ATOM 175 CE LYS A 11 -6.631 -12.528 1.115 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.253 -12.274 -0.172 1.00 21.93 N ATOM 0 H LYS A 11 -7.257 -9.086 6.595 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.805 -11.574 6.182 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.788 -10.816 4.706 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.829 -9.441 4.198 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.260 -10.876 3.002 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.982 -12.324 3.674 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.151 -11.645 2.436 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.180 -10.453 1.594 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.545 -12.501 1.029 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.897 -13.519 1.482 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.590 -12.525 -0.933 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.115 -12.849 -0.260 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.500 -11.266 -0.246 1.00 21.93 H new ATOM 190 N THR A 12 -3.568 -10.734 5.651 1.00 9.63 N ATOM 191 CA THR A 12 -2.259 -10.488 5.145 1.00 9.85 C ATOM 192 C THR A 12 -2.205 -10.971 3.723 1.00 11.66 C ATOM 193 O THR A 12 -2.772 -12.030 3.394 1.00 12.33 O ATOM 194 CB THR A 12 -1.157 -11.148 6.016 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.354 -10.729 7.389 1.00 10.91 O ATOM 196 CG2 THR A 12 0.208 -10.550 5.606 1.00 9.63 C ATOM 0 H THR A 12 -3.654 -11.668 6.051 1.00 9.63 H new ATOM 0 HA THR A 12 -2.058 -9.417 5.180 1.00 9.85 H new ATOM 0 HB THR A 12 -1.194 -12.231 5.897 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.041 -11.434 7.994 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.998 -11.001 6.207 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.393 -10.754 4.551 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.197 -9.472 5.770 1.00 9.63 H new ATOM 204 N ILE A 13 -1.550 -10.185 2.799 1.00 10.42 N ATOM 205 CA ILE A 13 -1.162 -10.598 1.486 1.00 11.84 C ATOM 206 C ILE A 13 0.309 -10.299 1.341 1.00 10.55 C ATOM 207 O ILE A 13 0.878 -9.563 2.096 1.00 11.92 O ATOM 208 CB ILE A 13 -1.987 -9.750 0.479 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.665 -8.288 0.565 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.421 -10.165 0.544 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.488 -7.391 -0.483 1.00 16.46 C ATOM 0 H ILE A 13 -1.289 -9.220 2.999 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.340 -11.659 1.308 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.693 -9.958 -0.550 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -1.874 -7.936 1.575 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.598 -8.148 0.393 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.004 -9.572 -0.161 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.506 -11.221 0.288 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.801 -10.005 1.553 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.206 -6.345 -0.366 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.261 -7.717 -1.498 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.556 -7.502 -0.297 1.00 16.46 H new ATOM 223 N THR A 14 0.865 -10.949 0.296 1.00 9.39 N ATOM 224 CA THR A 14 2.246 -10.702 -0.161 1.00 9.63 C ATOM 225 C THR A 14 2.119 -10.071 -1.529 1.00 11.20 C ATOM 226 O THR A 14 1.342 -10.516 -2.369 1.00 11.63 O ATOM 227 CB THR A 14 3.163 -11.929 -0.340 1.00 10.38 C ATOM 228 OG1 THR A 14 3.128 -12.694 0.836 1.00 16.30 O ATOM 229 CG2 THR A 14 4.583 -11.365 -0.508 1.00 11.66 C ATOM 0 H THR A 14 0.371 -11.655 -0.250 1.00 9.39 H new ATOM 0 HA THR A 14 2.713 -10.103 0.620 1.00 9.63 H new ATOM 0 HB THR A 14 2.859 -12.547 -1.185 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.706 -13.478 0.733 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.287 -12.186 -0.640 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.615 -10.715 -1.382 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.855 -10.793 0.379 1.00 11.66 H new ATOM 237 N LEU A 15 2.887 -8.987 -1.782 1.00 8.29 N ATOM 238 CA LEU A 15 3.041 -8.366 -3.055 1.00 9.03 C ATOM 239 C LEU A 15 4.487 -8.420 -3.377 1.00 8.59 C ATOM 240 O LEU A 15 5.348 -8.253 -2.500 1.00 7.79 O ATOM 241 CB LEU A 15 2.612 -6.897 -2.860 1.00 11.08 C ATOM 242 CG LEU A 15 1.094 -6.643 -2.596 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.929 -5.082 -2.529 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.128 -7.237 -3.636 1.00 15.27 C ATOM 0 H LEU A 15 3.428 -8.524 -1.051 1.00 8.29 H new ATOM 0 HA LEU A 15 2.460 -8.839 -3.847 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.177 -6.485 -2.024 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.902 -6.336 -3.748 1.00 11.08 H new ATOM 0 HG LEU A 15 0.819 -7.154 -1.674 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.116 -4.834 -2.345 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.543 -4.686 -1.721 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.246 -4.642 -3.475 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.899 -7.001 -3.355 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.343 -6.812 -4.617 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.255 -8.319 -3.674 1.00 15.27 H new ATOM 256 N GLU A 16 4.918 -8.643 -4.679 1.00 11.04 N ATOM 257 CA GLU A 16 6.247 -8.499 -5.155 1.00 11.50 C ATOM 258 C GLU A 16 6.269 -7.261 -5.979 1.00 10.13 C ATOM 259 O GLU A 16 5.481 -7.077 -6.916 1.00 9.83 O ATOM 260 CB GLU A 16 6.734 -9.671 -6.016 1.00 17.22 C ATOM 261 CG GLU A 16 8.200 -9.533 -6.586 1.00 23.33 C ATOM 262 CD GLU A 16 8.678 -10.982 -7.003 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.159 -11.788 -6.162 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.427 -11.291 -8.214 1.00 28.86 O ATOM 0 H GLU A 16 4.274 -8.939 -5.413 1.00 11.04 H new ATOM 0 HA GLU A 16 6.914 -8.462 -4.294 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.678 -10.583 -5.422 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.047 -9.794 -6.854 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.218 -8.860 -7.444 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.867 -9.109 -5.835 1.00 23.33 H new ATOM 271 N VAL A 17 7.239 -6.433 -5.684 1.00 8.99 N ATOM 272 CA VAL A 17 7.310 -5.023 -6.032 1.00 8.85 C ATOM 273 C VAL A 17 8.786 -4.598 -6.123 1.00 8.04 C ATOM 274 O VAL A 17 9.681 -5.183 -5.569 1.00 8.99 O ATOM 275 CB VAL A 17 6.739 -4.067 -5.011 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.184 -4.233 -5.037 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.183 -4.481 -3.588 1.00 10.54 C ATOM 0 H VAL A 17 8.058 -6.740 -5.159 1.00 8.99 H new ATOM 0 HA VAL A 17 6.735 -4.957 -6.956 1.00 8.85 H new ATOM 0 HB VAL A 17 7.070 -3.054 -5.240 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.734 -3.557 -4.310 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.810 -3.997 -6.033 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.924 -5.261 -4.786 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.766 -3.785 -2.860 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.825 -5.488 -3.374 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.271 -4.462 -3.526 1.00 10.54 H new ATOM 287 N GLU A 18 9.047 -3.517 -6.907 1.00 7.29 N ATOM 288 CA GLU A 18 10.383 -3.002 -7.143 1.00 7.08 C ATOM 289 C GLU A 18 10.619 -1.759 -6.324 1.00 6.45 C ATOM 290 O GLU A 18 9.636 -1.124 -5.880 1.00 5.28 O ATOM 291 CB GLU A 18 10.564 -2.724 -8.692 1.00 10.28 C ATOM 292 CG GLU A 18 10.434 -3.964 -9.612 1.00 12.65 C ATOM 293 CD GLU A 18 10.807 -3.662 -11.066 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.207 -2.764 -11.642 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.753 -4.262 -11.680 1.00 14.33 O ATOM 0 H GLU A 18 8.317 -2.990 -7.387 1.00 7.29 H new ATOM 0 HA GLU A 18 11.124 -3.738 -6.833 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.824 -1.986 -9.000 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.545 -2.277 -8.851 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.075 -4.760 -9.234 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.410 -4.334 -9.573 1.00 12.65 H new ATOM 302 N PRO A 19 11.887 -1.247 -6.080 1.00 7.24 N ATOM 303 CA PRO A 19 12.138 -0.133 -5.209 1.00 7.07 C ATOM 304 C PRO A 19 11.646 1.125 -5.912 1.00 6.65 C ATOM 305 O PRO A 19 11.370 2.060 -5.165 1.00 6.37 O ATOM 306 CB PRO A 19 13.666 -0.178 -4.923 1.00 7.61 C ATOM 307 CG PRO A 19 14.233 -0.896 -6.180 1.00 8.16 C ATOM 308 CD PRO A 19 13.158 -1.964 -6.429 1.00 7.49 C ATOM 0 HA PRO A 19 11.614 -0.156 -4.253 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.085 0.821 -4.805 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.890 -0.727 -4.008 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.342 -0.218 -7.026 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.213 -1.335 -5.995 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.159 -2.304 -7.464 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.310 -2.844 -5.804 1.00 7.49 H new ATOM 316 N SER A 20 11.651 1.233 -7.266 1.00 6.80 N ATOM 317 CA SER A 20 11.317 2.487 -7.989 1.00 6.28 C ATOM 318 C SER A 20 9.880 2.493 -8.304 1.00 8.45 C ATOM 319 O SER A 20 9.320 3.338 -8.972 1.00 7.26 O ATOM 320 CB SER A 20 12.024 2.565 -9.399 1.00 8.57 C ATOM 321 OG SER A 20 13.406 2.273 -9.186 1.00 11.13 O ATOM 0 H SER A 20 11.886 0.457 -7.884 1.00 6.80 H new ATOM 0 HA SER A 20 11.633 3.308 -7.345 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.581 1.851 -10.093 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.902 3.555 -9.838 1.00 8.57 H new ATOM 0 HG SER A 20 13.884 2.309 -10.041 1.00 11.13 H new ATOM 327 N ASP A 21 9.101 1.523 -7.775 1.00 7.50 N ATOM 328 CA ASP A 21 7.595 1.514 -7.834 1.00 7.70 C ATOM 329 C ASP A 21 7.018 2.571 -6.850 1.00 7.08 C ATOM 330 O ASP A 21 7.504 2.718 -5.724 1.00 8.11 O ATOM 331 CB ASP A 21 6.924 0.134 -7.507 1.00 11.00 C ATOM 332 CG ASP A 21 7.232 -1.002 -8.511 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.743 -0.642 -9.635 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.932 -2.190 -8.215 1.00 14.36 O ATOM 0 H ASP A 21 9.487 0.713 -7.289 1.00 7.50 H new ATOM 0 HA ASP A 21 7.358 1.743 -8.873 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.246 -0.182 -6.515 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.844 0.275 -7.462 1.00 11.00 H new ATOM 339 N THR A 22 6.012 3.406 -7.265 1.00 5.37 N ATOM 340 CA THR A 22 5.300 4.407 -6.393 1.00 6.01 C ATOM 341 C THR A 22 4.148 3.707 -5.566 1.00 8.01 C ATOM 342 O THR A 22 3.805 2.559 -5.865 1.00 8.11 O ATOM 343 CB THR A 22 4.698 5.546 -7.116 1.00 8.92 C ATOM 344 OG1 THR A 22 3.646 5.083 -7.999 1.00 10.22 O ATOM 345 CG2 THR A 22 5.776 6.343 -7.954 1.00 9.65 C ATOM 0 H THR A 22 5.667 3.404 -8.225 1.00 5.37 H new ATOM 0 HA THR A 22 6.084 4.804 -5.748 1.00 6.01 H new ATOM 0 HB THR A 22 4.280 6.220 -6.369 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.255 5.848 -8.471 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.294 7.173 -8.471 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.544 6.730 -7.284 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.234 5.677 -8.685 1.00 9.65 H new ATOM 353 N ILE A 23 3.566 4.402 -4.547 1.00 8.32 N ATOM 354 CA ILE A 23 2.466 3.772 -3.766 1.00 9.92 C ATOM 355 C ILE A 23 1.173 3.601 -4.600 1.00 10.01 C ATOM 356 O ILE A 23 0.450 2.662 -4.479 1.00 8.71 O ATOM 357 CB ILE A 23 2.128 4.608 -2.461 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.370 5.068 -1.639 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.315 3.622 -1.551 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.428 4.026 -1.384 1.00 12.30 C ATOM 0 H ILE A 23 3.823 5.346 -4.260 1.00 8.32 H new ATOM 0 HA ILE A 23 2.830 2.784 -3.483 1.00 9.92 H new ATOM 0 HB ILE A 23 1.608 5.518 -2.762 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.834 5.905 -2.160 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.023 5.445 -0.677 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.041 4.125 -0.623 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.412 3.306 -2.073 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.927 2.749 -1.323 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.239 4.466 -0.804 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.994 3.195 -0.828 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.817 3.663 -2.335 1.00 12.30 H new ATOM 372 N GLU A 24 1.007 4.515 -5.582 1.00 9.54 N ATOM 373 CA GLU A 24 -0.015 4.428 -6.583 1.00 11.81 C ATOM 374 C GLU A 24 0.036 3.166 -7.415 1.00 11.14 C ATOM 375 O GLU A 24 -0.983 2.576 -7.666 1.00 10.62 O ATOM 376 CB GLU A 24 -0.001 5.660 -7.463 1.00 19.24 C ATOM 377 CG GLU A 24 -1.348 5.736 -8.306 1.00 27.76 C ATOM 378 CD GLU A 24 -1.351 6.900 -9.226 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.293 8.062 -8.723 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.471 6.745 -10.436 1.00 34.80 O ATOM 0 H GLU A 24 1.602 5.337 -5.680 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.960 4.378 -6.042 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.106 6.555 -6.850 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.857 5.629 -8.134 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.471 4.818 -8.880 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.199 5.805 -7.628 1.00 27.76 H new ATOM 387 N ASN A 25 1.313 2.696 -7.751 1.00 9.43 N ATOM 388 CA ASN A 25 1.625 1.505 -8.487 1.00 10.96 C ATOM 389 C ASN A 25 1.257 0.278 -7.628 1.00 9.68 C ATOM 390 O ASN A 25 0.691 -0.693 -8.148 1.00 9.33 O ATOM 391 CB ASN A 25 3.152 1.488 -8.873 1.00 16.78 C ATOM 392 CG ASN A 25 3.437 0.635 -10.041 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.494 -0.581 -10.032 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.540 1.280 -11.165 1.00 24.70 N ATOM 0 H ASN A 25 2.153 3.204 -7.475 1.00 9.43 H new ATOM 0 HA ASN A 25 1.049 1.478 -9.412 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.480 2.506 -9.084 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.733 1.136 -8.021 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.668 0.767 -12.037 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.492 2.299 -11.175 1.00 24.70 H new ATOM 401 N VAL A 26 1.572 0.326 -6.300 1.00 6.52 N ATOM 402 CA VAL A 26 1.305 -0.727 -5.318 1.00 5.53 C ATOM 403 C VAL A 26 -0.156 -0.884 -5.157 1.00 4.42 C ATOM 404 O VAL A 26 -0.640 -1.986 -5.163 1.00 3.40 O ATOM 405 CB VAL A 26 2.046 -0.444 -4.044 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.661 -1.599 -2.981 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.564 -0.473 -4.215 1.00 8.12 C ATOM 0 H VAL A 26 2.035 1.135 -5.886 1.00 6.52 H new ATOM 0 HA VAL A 26 1.680 -1.690 -5.663 1.00 5.53 H new ATOM 0 HB VAL A 26 1.762 0.556 -3.715 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.186 -1.420 -2.043 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.586 -1.586 -2.803 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.951 -2.571 -3.379 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.042 -0.261 -3.259 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.872 -1.459 -4.564 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.862 0.280 -4.945 1.00 8.12 H new ATOM 417 N LYS A 27 -0.989 0.224 -5.075 1.00 2.64 N ATOM 418 CA LYS A 27 -2.398 0.233 -5.041 1.00 4.14 C ATOM 419 C LYS A 27 -3.033 -0.396 -6.266 1.00 5.58 C ATOM 420 O LYS A 27 -3.936 -1.205 -6.099 1.00 4.11 O ATOM 421 CB LYS A 27 -3.049 1.616 -4.753 1.00 3.97 C ATOM 422 CG LYS A 27 -2.674 2.308 -3.478 1.00 7.45 C ATOM 423 CD LYS A 27 -3.072 3.777 -3.389 1.00 9.02 C ATOM 424 CE LYS A 27 -2.716 4.477 -2.084 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.261 5.822 -1.886 1.00 15.47 N ATOM 0 H LYS A 27 -0.605 1.168 -5.031 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.615 -0.393 -4.176 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.804 2.281 -5.581 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.131 1.485 -4.759 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.133 1.774 -2.646 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.594 2.233 -3.348 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.597 4.314 -4.210 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.149 3.853 -3.539 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.053 3.849 -1.259 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.630 4.537 -2.016 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.725 6.307 -1.139 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.185 6.361 -2.772 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.260 5.754 -1.606 1.00 15.47 H new ATOM 439 N ALA A 28 -2.563 -0.142 -7.525 1.00 6.61 N ATOM 440 CA ALA A 28 -3.001 -0.873 -8.682 1.00 7.74 C ATOM 441 C ALA A 28 -2.783 -2.359 -8.637 1.00 9.17 C ATOM 442 O ALA A 28 -3.610 -3.127 -9.054 1.00 11.45 O ATOM 443 CB ALA A 28 -2.313 -0.264 -9.879 1.00 7.68 C ATOM 0 H ALA A 28 -1.872 0.580 -7.730 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.086 -0.781 -8.732 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.619 -0.792 -10.782 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.589 0.787 -9.962 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.233 -0.347 -9.759 1.00 7.68 H new ATOM 449 N LYS A 29 -1.665 -2.809 -8.140 1.00 8.96 N ATOM 450 CA LYS A 29 -1.348 -4.242 -7.975 1.00 7.90 C ATOM 451 C LYS A 29 -2.355 -4.891 -6.982 1.00 6.92 C ATOM 452 O LYS A 29 -2.946 -5.931 -7.226 1.00 6.87 O ATOM 453 CB LYS A 29 0.076 -4.315 -7.520 1.00 10.28 C ATOM 454 CG LYS A 29 0.633 -5.814 -7.581 1.00 14.94 C ATOM 455 CD LYS A 29 2.147 -5.861 -7.560 1.00 19.69 C ATOM 456 CE LYS A 29 2.790 -5.816 -9.000 1.00 22.63 C ATOM 457 NZ LYS A 29 4.244 -5.625 -8.907 1.00 24.98 N ATOM 0 H LYS A 29 -0.916 -2.193 -7.824 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.448 -4.805 -8.903 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.693 -3.670 -8.146 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.153 -3.938 -6.500 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.241 -6.380 -6.736 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.268 -6.299 -8.486 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.522 -5.021 -6.975 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.469 -6.771 -7.054 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.572 -6.742 -9.531 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.347 -5.005 -9.578 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.690 -5.913 -9.801 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.451 -4.623 -8.724 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.621 -6.204 -8.130 1.00 24.98 H new ATOM 471 N ILE A 30 -2.673 -4.235 -5.862 1.00 4.57 N ATOM 472 CA ILE A 30 -3.742 -4.607 -4.940 1.00 5.58 C ATOM 473 C ILE A 30 -5.135 -4.653 -5.643 1.00 7.26 C ATOM 474 O ILE A 30 -5.973 -5.516 -5.398 1.00 9.46 O ATOM 475 CB ILE A 30 -3.839 -3.711 -3.636 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.693 -4.137 -2.707 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.144 -3.897 -2.875 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.509 -3.496 -1.342 1.00 2.00 C ATOM 0 H ILE A 30 -2.171 -3.398 -5.564 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.462 -5.608 -4.612 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.785 -2.666 -3.942 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.797 -5.210 -2.544 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.764 -3.987 -3.257 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.146 -3.255 -1.994 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.982 -3.631 -3.519 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.240 -4.938 -2.566 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.644 -3.937 -0.846 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.351 -2.424 -1.462 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.400 -3.666 -0.737 1.00 2.00 H new ATOM 490 N GLN A 31 -5.416 -3.714 -6.618 1.00 7.06 N ATOM 491 CA GLN A 31 -6.637 -3.679 -7.485 1.00 8.67 C ATOM 492 C GLN A 31 -6.734 -4.873 -8.371 1.00 10.90 C ATOM 493 O GLN A 31 -7.815 -5.462 -8.482 1.00 9.63 O ATOM 494 CB GLN A 31 -6.764 -2.369 -8.324 1.00 9.12 C ATOM 495 CG GLN A 31 -8.072 -2.212 -9.185 1.00 10.76 C ATOM 496 CD GLN A 31 -8.083 -0.973 -10.053 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.099 -0.312 -10.197 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.927 -0.678 -10.627 1.00 14.76 N ATOM 0 H GLN A 31 -4.777 -2.945 -6.820 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.477 -3.697 -6.790 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.699 -1.520 -7.643 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.906 -2.307 -8.993 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.186 -3.091 -9.820 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.934 -2.186 -8.519 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.112 -1.271 -10.467 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.851 0.142 -11.229 1.00 14.76 H new ATOM 507 N ASP A 32 -5.622 -5.302 -8.946 1.00 10.93 N ATOM 508 CA ASP A 32 -5.558 -6.566 -9.690 1.00 14.01 C ATOM 509 C ASP A 32 -5.737 -7.775 -8.734 1.00 14.04 C ATOM 510 O ASP A 32 -6.405 -8.782 -9.026 1.00 13.39 O ATOM 511 CB ASP A 32 -4.282 -6.665 -10.428 1.00 18.01 C ATOM 512 CG ASP A 32 -4.150 -5.572 -11.424 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.145 -5.221 -12.162 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.022 -5.188 -11.728 1.00 26.29 O ATOM 0 H ASP A 32 -4.739 -4.793 -8.915 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.374 -6.583 -10.412 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.449 -6.623 -9.726 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.225 -7.629 -10.933 1.00 18.01 H new ATOM 519 N LYS A 33 -5.067 -7.718 -7.609 1.00 14.22 N ATOM 520 CA LYS A 33 -5.110 -8.873 -6.753 1.00 14.00 C ATOM 521 C LYS A 33 -6.370 -9.107 -5.954 1.00 12.37 C ATOM 522 O LYS A 33 -6.933 -10.195 -5.963 1.00 12.17 O ATOM 523 CB LYS A 33 -3.869 -8.795 -5.834 1.00 18.62 C ATOM 524 CG LYS A 33 -3.611 -10.189 -5.130 1.00 24.00 C ATOM 525 CD LYS A 33 -2.650 -10.073 -4.025 1.00 27.61 C ATOM 526 CE LYS A 33 -2.420 -11.485 -3.358 1.00 27.64 C ATOM 527 NZ LYS A 33 -3.604 -12.175 -2.820 1.00 30.06 N ATOM 0 H LYS A 33 -4.513 -6.928 -7.278 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.108 -9.742 -7.410 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.994 -8.509 -6.418 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.016 -8.022 -5.080 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.553 -10.585 -4.752 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.237 -10.903 -5.864 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.704 -9.678 -4.395 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.021 -9.367 -3.282 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.956 -12.137 -4.098 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.702 -11.363 -2.547 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.346 -12.676 -1.946 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -4.348 -11.478 -2.614 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -3.955 -12.859 -3.520 1.00 30.06 H new ATOM 541 N GLU A 34 -6.871 -8.034 -5.309 1.00 10.11 N ATOM 542 CA GLU A 34 -7.885 -8.051 -4.315 1.00 10.07 C ATOM 543 C GLU A 34 -9.145 -7.270 -4.737 1.00 9.32 C ATOM 544 O GLU A 34 -10.077 -7.297 -3.962 1.00 11.61 O ATOM 545 CB GLU A 34 -7.373 -7.474 -2.967 1.00 14.77 C ATOM 546 CG GLU A 34 -6.137 -8.222 -2.420 1.00 18.75 C ATOM 547 CD GLU A 34 -6.443 -9.565 -1.808 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.239 -9.519 -0.861 1.00 25.19 O ATOM 549 OE2 GLU A 34 -5.814 -10.622 -2.148 1.00 21.95 O ATOM 0 H GLU A 34 -6.537 -7.090 -5.503 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.152 -9.100 -4.190 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.124 -6.421 -3.100 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.175 -7.521 -2.230 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.423 -8.360 -3.231 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.651 -7.597 -1.671 1.00 18.75 H new ATOM 556 N GLY A 35 -9.192 -6.546 -5.928 1.00 7.22 N ATOM 557 CA GLY A 35 -10.403 -5.924 -6.415 1.00 6.29 C ATOM 558 C GLY A 35 -10.695 -4.550 -5.857 1.00 6.93 C ATOM 559 O GLY A 35 -11.760 -3.954 -6.024 1.00 7.41 O ATOM 0 H GLY A 35 -8.383 -6.406 -6.533 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.343 -5.851 -7.501 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.245 -6.577 -6.185 1.00 6.29 H new ATOM 563 N ILE A 36 -9.748 -3.966 -5.121 1.00 5.86 N ATOM 564 CA ILE A 36 -10.038 -2.770 -4.401 1.00 6.07 C ATOM 565 C ILE A 36 -9.673 -1.478 -5.179 1.00 6.36 C ATOM 566 O ILE A 36 -8.523 -1.440 -5.712 1.00 6.18 O ATOM 567 CB ILE A 36 -9.213 -2.799 -3.141 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.478 -4.158 -2.354 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.856 -1.678 -2.294 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.546 -4.385 -1.150 1.00 9.49 C ATOM 0 H ILE A 36 -8.793 -4.311 -5.021 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.112 -2.742 -4.216 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.145 -2.696 -3.335 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.511 -4.167 -2.006 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.368 -4.993 -3.046 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.336 -1.600 -1.339 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.780 -0.730 -2.827 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.906 -1.912 -2.117 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.794 -5.332 -0.671 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.511 -4.411 -1.491 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.672 -3.573 -0.434 1.00 9.49 H new ATOM 582 N PRO A 37 -10.479 -0.439 -5.353 1.00 8.65 N ATOM 583 CA PRO A 37 -10.171 0.810 -6.055 1.00 9.18 C ATOM 584 C PRO A 37 -8.995 1.597 -5.416 1.00 9.85 C ATOM 585 O PRO A 37 -8.998 1.824 -4.189 1.00 8.51 O ATOM 586 CB PRO A 37 -11.535 1.515 -6.010 1.00 11.42 C ATOM 587 CG PRO A 37 -12.566 0.388 -6.053 1.00 9.27 C ATOM 588 CD PRO A 37 -11.901 -0.612 -5.164 1.00 8.33 C ATOM 0 HA PRO A 37 -9.795 0.685 -7.070 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.641 2.112 -5.104 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.657 2.193 -6.855 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.539 0.700 -5.674 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.724 0.007 -7.062 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.177 -0.451 -4.122 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.207 -1.626 -5.422 1.00 8.33 H new ATOM 596 N PRO A 38 -7.968 2.081 -6.082 1.00 8.71 N ATOM 597 CA PRO A 38 -6.992 2.943 -5.457 1.00 9.08 C ATOM 598 C PRO A 38 -7.432 4.226 -4.813 1.00 9.28 C ATOM 599 O PRO A 38 -6.689 4.724 -3.907 1.00 6.50 O ATOM 600 CB PRO A 38 -5.898 3.134 -6.525 1.00 10.31 C ATOM 601 CG PRO A 38 -6.048 1.929 -7.434 1.00 10.81 C ATOM 602 CD PRO A 38 -7.556 1.587 -7.404 1.00 12.00 C ATOM 0 HA PRO A 38 -6.655 2.445 -4.548 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.036 4.066 -7.074 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.906 3.172 -6.076 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.715 2.155 -8.447 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.447 1.091 -7.081 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.100 2.081 -8.209 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.732 0.516 -7.510 1.00 12.00 H new ATOM 610 N ASP A 39 -8.604 4.818 -5.107 1.00 11.20 N ATOM 611 CA ASP A 39 -9.076 5.965 -4.422 1.00 14.96 C ATOM 612 C ASP A 39 -9.655 5.645 -3.051 1.00 13.99 C ATOM 613 O ASP A 39 -9.717 6.448 -2.146 1.00 13.75 O ATOM 614 CB ASP A 39 -10.074 6.681 -5.381 1.00 24.16 C ATOM 615 CG ASP A 39 -10.490 8.069 -5.032 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.688 8.738 -4.414 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.623 8.525 -5.314 1.00 35.55 O ATOM 0 H ASP A 39 -9.232 4.486 -5.839 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.251 6.637 -4.184 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.627 6.704 -6.375 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.973 6.068 -5.450 1.00 24.16 H new ATOM 622 N GLN A 40 -9.998 4.379 -2.772 1.00 11.60 N ATOM 623 CA GLN A 40 -10.397 3.863 -1.450 1.00 10.76 C ATOM 624 C GLN A 40 -9.165 3.514 -0.665 1.00 8.01 C ATOM 625 O GLN A 40 -9.207 3.557 0.552 1.00 8.96 O ATOM 626 CB GLN A 40 -11.324 2.640 -1.638 1.00 11.14 C ATOM 627 CG GLN A 40 -12.604 3.031 -2.369 1.00 14.85 C ATOM 628 CD GLN A 40 -13.613 1.991 -2.408 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.532 0.938 -1.779 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.664 2.274 -3.227 1.00 18.16 N ATOM 0 H GLN A 40 -10.006 3.655 -3.490 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.949 4.620 -0.893 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.802 1.866 -2.201 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.572 2.214 -0.666 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.027 3.913 -1.889 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.352 3.315 -3.391 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.693 3.160 -3.732 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.422 1.600 -3.336 1.00 18.16 H new ATOM 639 N GLN A 41 -7.985 3.251 -1.252 1.00 6.52 N ATOM 640 CA GLN A 41 -6.934 2.505 -0.625 1.00 3.87 C ATOM 641 C GLN A 41 -6.099 3.377 0.258 1.00 4.79 C ATOM 642 O GLN A 41 -5.261 4.160 -0.174 1.00 6.34 O ATOM 643 CB GLN A 41 -5.991 1.782 -1.612 1.00 4.20 C ATOM 644 CG GLN A 41 -6.618 0.457 -2.145 1.00 3.20 C ATOM 645 CD GLN A 41 -5.644 -0.374 -2.986 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.527 -0.553 -2.529 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.057 -0.863 -4.160 1.00 7.13 N ATOM 0 H GLN A 41 -7.752 3.567 -2.194 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.455 1.745 -0.043 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.767 2.442 -2.450 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.045 1.563 -1.117 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.961 -0.141 -1.301 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.496 0.694 -2.745 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.006 -0.676 -4.485 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.423 -1.423 -4.731 1.00 7.13 H new ATOM 656 N ARG A 42 -6.198 3.174 1.602 1.00 5.73 N ATOM 657 CA ARG A 42 -5.417 3.986 2.486 1.00 6.97 C ATOM 658 C ARG A 42 -4.365 3.067 3.079 1.00 7.15 C ATOM 659 O ARG A 42 -4.675 2.073 3.716 1.00 7.33 O ATOM 660 CB ARG A 42 -6.304 4.618 3.605 1.00 13.23 C ATOM 661 CG ARG A 42 -7.355 5.625 2.989 1.00 21.27 C ATOM 662 CD ARG A 42 -7.693 6.821 3.956 1.00 26.14 C ATOM 663 NE ARG A 42 -8.343 7.767 3.013 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.843 8.945 3.474 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.014 9.160 4.801 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.072 9.931 2.584 1.00 36.39 N ATOM 0 H ARG A 42 -6.793 2.478 2.051 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.960 4.820 1.954 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.825 3.831 4.150 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.673 5.140 4.324 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.966 6.021 2.051 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.272 5.086 2.751 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.359 6.522 4.766 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.801 7.245 4.417 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.414 7.534 2.023 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.766 8.432 5.472 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.390 10.049 5.129 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.871 9.782 1.595 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.447 10.826 2.899 1.00 36.39 H new ATOM 680 N LEU A 43 -3.023 3.488 2.901 1.00 4.65 N ATOM 681 CA LEU A 43 -1.928 2.657 3.154 1.00 3.51 C ATOM 682 C LEU A 43 -1.053 3.199 4.294 1.00 5.56 C ATOM 683 O LEU A 43 -0.523 4.252 4.125 1.00 4.19 O ATOM 684 CB LEU A 43 -1.056 2.408 1.896 1.00 3.74 C ATOM 685 CG LEU A 43 -0.386 0.963 1.739 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.484 -0.151 1.691 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.372 0.963 0.435 1.00 6.41 C ATOM 0 H LEU A 43 -2.767 4.421 2.578 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.352 1.700 3.458 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.674 2.590 1.017 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.259 3.152 1.886 1.00 3.74 H new ATOM 0 HG LEU A 43 0.270 0.760 2.586 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.009 -1.126 1.584 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -2.065 -0.130 2.613 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -2.145 0.026 0.842 1.00 9.55 H new ATOM 0 HD21 LEU A 43 0.846 -0.008 0.289 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.317 1.157 -0.387 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.136 1.740 0.459 1.00 6.41 H new ATOM 699 N ILE A 44 -0.886 2.491 5.441 1.00 4.58 N ATOM 700 CA ILE A 44 -0.194 3.019 6.636 1.00 5.55 C ATOM 701 C ILE A 44 1.096 2.248 6.843 1.00 5.46 C ATOM 702 O ILE A 44 1.079 1.004 6.831 1.00 6.04 O ATOM 703 CB ILE A 44 -1.098 2.977 7.892 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.315 3.891 7.708 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.284 3.235 9.184 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.524 3.517 8.606 1.00 13.90 C ATOM 0 H ILE A 44 -1.229 1.538 5.559 1.00 4.58 H new ATOM 0 HA ILE A 44 0.044 4.070 6.472 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.500 1.971 8.016 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.021 4.919 7.921 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.627 3.859 6.664 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.949 3.198 10.047 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.486 2.471 9.287 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.185 4.218 9.129 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.345 4.209 8.418 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.846 2.501 8.377 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.231 3.578 9.654 1.00 13.90 H new ATOM 718 N PHE A 45 2.244 2.901 7.055 1.00 6.75 N ATOM 719 CA PHE A 45 3.544 2.267 7.236 1.00 4.70 C ATOM 720 C PHE A 45 4.295 3.101 8.315 1.00 6.34 C ATOM 721 O PHE A 45 4.384 4.301 8.106 1.00 5.45 O ATOM 722 CB PHE A 45 4.304 2.376 5.925 1.00 5.51 C ATOM 723 CG PHE A 45 5.781 1.997 6.004 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.271 0.685 6.146 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.726 3.019 5.987 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.640 0.362 6.167 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.088 2.762 5.947 1.00 6.64 C ATOM 728 CZ PHE A 45 8.595 1.465 5.979 1.00 6.84 C ATOM 0 H PHE A 45 2.290 3.919 7.106 1.00 6.75 H new ATOM 0 HA PHE A 45 3.453 1.222 7.531 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.819 1.737 5.187 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.226 3.400 5.561 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.556 -0.118 6.244 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.388 4.044 6.006 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.976 -0.654 6.315 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.776 3.592 5.889 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.653 1.276 5.870 1.00 6.84 H new ATOM 738 N ALA A 46 4.656 2.426 9.479 1.00 6.53 N ATOM 739 CA ALA A 46 5.170 3.002 10.734 1.00 7.15 C ATOM 740 C ALA A 46 4.505 4.269 11.142 1.00 9.00 C ATOM 741 O ALA A 46 5.094 5.333 11.283 1.00 11.15 O ATOM 742 CB ALA A 46 6.720 3.076 10.602 1.00 8.99 C ATOM 0 H ALA A 46 4.580 1.411 9.538 1.00 6.53 H new ATOM 0 HA ALA A 46 4.917 2.357 11.575 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.143 3.499 11.513 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.120 2.074 10.447 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.983 3.707 9.753 1.00 8.99 H new ATOM 748 N GLY A 47 3.225 4.300 11.311 1.00 9.35 N ATOM 749 CA GLY A 47 2.377 5.437 11.478 1.00 11.68 C ATOM 750 C GLY A 47 1.895 6.211 10.305 1.00 11.14 C ATOM 751 O GLY A 47 0.775 6.725 10.314 1.00 13.93 O ATOM 0 H GLY A 47 2.687 3.434 11.339 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.495 5.100 12.023 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.904 6.136 12.127 1.00 11.68 H new ATOM 755 N LYS A 48 2.815 6.433 9.295 1.00 10.47 N ATOM 756 CA LYS A 48 2.678 7.422 8.310 1.00 8.82 C ATOM 757 C LYS A 48 1.669 6.998 7.230 1.00 7.68 C ATOM 758 O LYS A 48 1.695 5.889 6.693 1.00 6.47 O ATOM 759 CB LYS A 48 4.040 7.482 7.548 1.00 9.74 C ATOM 760 CG LYS A 48 5.198 8.058 8.393 1.00 14.14 C ATOM 761 CD LYS A 48 6.638 7.875 7.843 1.00 16.32 C ATOM 762 CE LYS A 48 7.237 6.477 8.245 1.00 20.04 C ATOM 763 NZ LYS A 48 8.724 6.499 8.024 1.00 23.92 N ATOM 0 H LYS A 48 3.669 5.883 9.197 1.00 10.47 H new ATOM 0 HA LYS A 48 2.369 8.350 8.791 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.307 6.478 7.218 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.918 8.090 6.651 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.020 9.125 8.526 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.154 7.602 9.382 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.628 7.969 6.757 1.00 16.32 H new ATOM 0 HD3 LYS A 48 7.278 8.670 8.226 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.015 6.259 9.290 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.780 5.686 7.650 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.128 5.578 8.288 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.923 6.690 7.021 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.151 7.245 8.610 1.00 23.92 H new ATOM 777 N GLN A 49 0.701 7.818 6.906 1.00 8.89 N ATOM 778 CA GLN A 49 -0.177 7.641 5.775 1.00 7.18 C ATOM 779 C GLN A 49 0.510 8.034 4.461 1.00 8.23 C ATOM 780 O GLN A 49 0.583 9.172 4.073 1.00 9.70 O ATOM 781 CB GLN A 49 -1.487 8.485 5.958 1.00 11.67 C ATOM 782 CG GLN A 49 -2.321 8.050 7.215 1.00 15.82 C ATOM 783 CD GLN A 49 -3.790 8.508 7.167 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.134 9.618 7.535 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.742 7.628 6.705 1.00 20.67 N ATOM 0 H GLN A 49 0.494 8.660 7.443 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.433 6.583 5.724 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.225 9.539 6.049 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.105 8.386 5.066 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.290 6.964 7.303 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.851 8.456 8.111 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.467 6.696 6.394 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.722 7.908 6.673 1.00 20.67 H new ATOM 794 N LEU A 50 1.094 7.030 3.787 1.00 6.51 N ATOM 795 CA LEU A 50 1.918 7.206 2.579 1.00 7.41 C ATOM 796 C LEU A 50 1.252 7.850 1.379 1.00 8.27 C ATOM 797 O LEU A 50 0.262 7.289 0.874 1.00 8.34 O ATOM 798 CB LEU A 50 2.468 5.828 2.068 1.00 7.13 C ATOM 799 CG LEU A 50 3.095 4.946 3.170 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.600 3.654 2.431 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.266 5.600 3.902 1.00 9.11 C ATOM 0 H LEU A 50 1.005 6.055 4.072 1.00 6.51 H new ATOM 0 HA LEU A 50 2.691 7.889 2.933 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.654 5.277 1.597 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.216 6.012 1.297 1.00 7.13 H new ATOM 0 HG LEU A 50 2.349 4.752 3.941 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.059 2.978 3.153 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.757 3.156 1.952 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.335 3.931 1.675 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.649 4.916 4.659 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.057 5.832 3.189 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.928 6.519 4.381 1.00 9.11 H new ATOM 813 N GLU A 51 1.748 8.918 0.826 1.00 9.43 N ATOM 814 CA GLU A 51 1.170 9.583 -0.360 1.00 11.90 C ATOM 815 C GLU A 51 1.508 8.863 -1.673 1.00 11.49 C ATOM 816 O GLU A 51 2.575 8.282 -1.900 1.00 9.88 O ATOM 817 CB GLU A 51 1.486 11.110 -0.412 1.00 16.56 C ATOM 818 CG GLU A 51 0.933 11.915 0.789 1.00 26.06 C ATOM 819 CD GLU A 51 1.082 13.381 0.631 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.157 13.897 0.309 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.077 14.095 1.018 1.00 33.44 O ATOM 0 H GLU A 51 2.586 9.381 1.178 1.00 9.43 H new ATOM 0 HA GLU A 51 0.089 9.504 -0.246 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.567 11.244 -0.458 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.074 11.524 -1.332 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.122 11.676 0.922 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.448 11.600 1.697 1.00 26.06 H new ATOM 828 N ASP A 52 0.520 8.828 -2.620 1.00 12.71 N ATOM 829 CA ASP A 52 0.530 8.048 -3.865 1.00 16.56 C ATOM 830 C ASP A 52 1.770 8.097 -4.840 1.00 15.83 C ATOM 831 O ASP A 52 2.363 7.147 -5.346 1.00 17.21 O ATOM 832 CB ASP A 52 -0.616 8.426 -4.746 1.00 21.05 C ATOM 833 CG ASP A 52 -1.876 8.131 -3.889 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.195 6.907 -4.024 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.440 8.981 -3.182 1.00 25.82 O ATOM 0 H ASP A 52 -0.336 9.373 -2.516 1.00 12.71 H new ATOM 0 HA ASP A 52 0.515 7.051 -3.425 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.567 9.477 -5.032 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.617 7.844 -5.668 1.00 21.05 H new ATOM 840 N GLY A 53 2.325 9.282 -5.098 1.00 15.00 N ATOM 841 CA GLY A 53 3.421 9.547 -6.051 1.00 11.77 C ATOM 842 C GLY A 53 4.810 9.250 -5.536 1.00 11.10 C ATOM 843 O GLY A 53 5.825 9.395 -6.192 1.00 11.25 O ATOM 0 H GLY A 53 2.011 10.131 -4.628 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.250 8.954 -6.950 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.377 10.595 -6.347 1.00 11.77 H new ATOM 847 N ARG A 54 4.851 8.862 -4.261 1.00 8.53 N ATOM 848 CA ARG A 54 6.149 8.579 -3.664 1.00 9.05 C ATOM 849 C ARG A 54 6.631 7.126 -3.885 1.00 8.96 C ATOM 850 O ARG A 54 5.905 6.161 -3.563 1.00 11.60 O ATOM 851 CB ARG A 54 6.042 8.811 -2.123 1.00 7.97 C ATOM 852 CG ARG A 54 5.897 10.269 -1.693 1.00 9.62 C ATOM 853 CD ARG A 54 7.295 10.885 -1.328 1.00 12.20 C ATOM 854 NE ARG A 54 7.191 12.185 -0.764 1.00 18.23 N ATOM 855 CZ ARG A 54 8.133 13.091 -0.719 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.391 12.787 -0.927 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.847 14.333 -0.466 1.00 23.38 N ATOM 0 H ARG A 54 4.043 8.742 -3.650 1.00 8.53 H new ATOM 0 HA ARG A 54 6.868 9.241 -4.146 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.186 8.251 -1.746 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.930 8.395 -1.647 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.439 10.846 -2.496 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.230 10.335 -0.833 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.804 10.227 -0.624 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.913 10.931 -2.225 1.00 12.20 H new ATOM 0 HE ARG A 54 6.292 12.437 -0.353 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.656 11.823 -1.130 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.105 13.514 -0.886 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.879 14.610 -0.300 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.590 15.031 -0.433 1.00 23.38 H new ATOM 871 N THR A 55 7.848 6.909 -4.398 1.00 9.05 N ATOM 872 CA THR A 55 8.387 5.560 -4.404 1.00 9.03 C ATOM 873 C THR A 55 8.698 4.888 -3.081 1.00 8.15 C ATOM 874 O THR A 55 8.863 5.453 -1.993 1.00 5.91 O ATOM 875 CB THR A 55 9.577 5.378 -5.330 1.00 11.15 C ATOM 876 OG1 THR A 55 10.679 6.248 -4.914 1.00 11.95 O ATOM 877 CG2 THR A 55 9.230 5.721 -6.782 1.00 11.71 C ATOM 0 H THR A 55 8.453 7.626 -4.799 1.00 9.05 H new ATOM 0 HA THR A 55 7.508 5.040 -4.784 1.00 9.03 H new ATOM 0 HB THR A 55 9.865 4.329 -5.269 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.492 5.713 -4.797 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.109 5.577 -7.410 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.427 5.070 -7.128 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.907 6.760 -6.843 1.00 11.71 H new ATOM 885 N LEU A 56 8.688 3.556 -3.123 1.00 6.91 N ATOM 886 CA LEU A 56 9.146 2.708 -2.111 1.00 8.29 C ATOM 887 C LEU A 56 10.570 3.007 -1.644 1.00 8.05 C ATOM 888 O LEU A 56 10.821 3.174 -0.485 1.00 10.17 O ATOM 889 CB LEU A 56 8.921 1.202 -2.601 1.00 6.60 C ATOM 890 CG LEU A 56 7.428 0.819 -2.703 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.268 -0.582 -3.250 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.679 0.890 -1.399 1.00 8.64 C ATOM 0 H LEU A 56 8.331 3.044 -3.930 1.00 6.91 H new ATOM 0 HA LEU A 56 8.566 2.882 -1.204 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.392 1.068 -3.575 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.419 0.522 -1.909 1.00 6.60 H new ATOM 0 HG LEU A 56 7.000 1.563 -3.375 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.208 -0.829 -3.313 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.713 -0.638 -4.243 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.767 -1.290 -2.589 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.639 0.606 -1.561 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.134 0.208 -0.680 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.721 1.908 -1.010 1.00 8.64 H new ATOM 904 N SER A 57 11.490 3.354 -2.585 1.00 8.92 N ATOM 905 CA SER A 57 12.803 3.880 -2.254 1.00 9.00 C ATOM 906 C SER A 57 12.717 5.240 -1.536 1.00 9.44 C ATOM 907 O SER A 57 13.504 5.503 -0.654 1.00 10.91 O ATOM 908 CB SER A 57 13.750 3.995 -3.515 1.00 10.32 C ATOM 909 OG SER A 57 13.370 4.975 -4.501 1.00 13.59 O ATOM 0 H SER A 57 11.323 3.269 -3.588 1.00 8.92 H new ATOM 0 HA SER A 57 13.244 3.154 -1.570 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.757 4.228 -3.169 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.797 3.020 -4.000 1.00 10.32 H new ATOM 0 HG SER A 57 14.018 4.968 -5.236 1.00 13.59 H new ATOM 915 N ASP A 58 11.706 6.061 -1.958 1.00 9.11 N ATOM 916 CA ASP A 58 11.539 7.396 -1.382 1.00 7.91 C ATOM 917 C ASP A 58 11.022 7.319 0.133 1.00 9.12 C ATOM 918 O ASP A 58 11.505 8.004 1.025 1.00 8.61 O ATOM 919 CB ASP A 58 10.613 8.257 -2.290 1.00 8.41 C ATOM 920 CG ASP A 58 10.754 9.689 -2.073 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.535 10.265 -0.961 1.00 11.70 O ATOM 922 OD2 ASP A 58 11.211 10.391 -3.004 1.00 10.05 O ATOM 0 H ASP A 58 11.023 5.814 -2.674 1.00 9.11 H new ATOM 0 HA ASP A 58 12.511 7.888 -1.344 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.831 8.033 -3.334 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.576 7.971 -2.113 1.00 8.41 H new ATOM 927 N TYR A 59 10.089 6.412 0.412 1.00 7.97 N ATOM 928 CA TYR A 59 9.623 6.232 1.787 1.00 8.45 C ATOM 929 C TYR A 59 10.389 5.101 2.492 1.00 10.98 C ATOM 930 O TYR A 59 9.784 4.614 3.450 1.00 12.95 O ATOM 931 CB TYR A 59 8.082 5.879 1.719 1.00 7.94 C ATOM 932 CG TYR A 59 7.153 7.114 1.700 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.249 8.103 2.687 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.044 7.100 0.851 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.297 9.107 2.790 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.129 8.143 0.905 1.00 6.52 C ATOM 937 CZ TYR A 59 5.232 9.158 1.887 1.00 6.76 C ATOM 938 OH TYR A 59 4.332 10.187 1.974 1.00 7.63 O ATOM 0 H TYR A 59 9.648 5.802 -0.277 1.00 7.97 H new ATOM 0 HA TYR A 59 9.794 7.144 2.359 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.896 5.283 0.825 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.824 5.257 2.576 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.078 8.084 3.379 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.899 6.284 0.158 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.379 9.850 3.569 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.325 8.181 0.185 1.00 6.52 H new ATOM 0 HH TYR A 59 4.213 10.593 1.090 1.00 7.63 H new ATOM 948 N ASN A 60 11.637 4.742 2.082 1.00 12.38 N ATOM 949 CA ASN A 60 12.415 3.825 2.815 1.00 13.94 C ATOM 950 C ASN A 60 11.836 2.360 3.038 1.00 14.16 C ATOM 951 O ASN A 60 11.975 1.714 4.091 1.00 14.26 O ATOM 952 CB ASN A 60 12.871 4.420 4.202 1.00 19.23 C ATOM 953 CG ASN A 60 13.561 5.725 4.086 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.162 6.069 3.103 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.521 6.563 5.126 1.00 24.09 N ATOM 0 H ASN A 60 12.087 5.100 1.239 1.00 12.38 H new ATOM 0 HA ASN A 60 13.260 3.680 2.142 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.998 4.535 4.844 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.535 3.709 4.693 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.992 7.466 5.072 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.019 6.300 5.974 1.00 24.09 H new ATOM 962 N ILE A 61 11.108 1.788 2.085 1.00 11.08 N ATOM 963 CA ILE A 61 10.527 0.441 2.153 1.00 11.78 C ATOM 964 C ILE A 61 11.518 -0.554 1.533 1.00 13.74 C ATOM 965 O ILE A 61 12.034 -0.357 0.399 1.00 14.60 O ATOM 966 CB ILE A 61 9.172 0.480 1.549 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.217 1.115 2.561 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.728 -0.954 1.206 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.051 1.849 1.919 1.00 11.42 C ATOM 0 H ILE A 61 10.895 2.264 1.208 1.00 11.08 H new ATOM 0 HA ILE A 61 10.374 0.089 3.173 1.00 11.78 H new ATOM 0 HB ILE A 61 9.172 1.068 0.631 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.828 0.338 3.219 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.775 1.812 3.186 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.733 -0.930 0.762 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.431 -1.393 0.498 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.705 -1.555 2.115 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.416 2.274 2.696 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.430 2.649 1.283 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.469 1.151 1.316 1.00 11.42 H new ATOM 981 N GLN A 62 11.826 -1.627 2.227 1.00 13.97 N ATOM 982 CA GLN A 62 12.836 -2.601 1.872 1.00 15.52 C ATOM 983 C GLN A 62 12.062 -3.933 1.771 1.00 13.94 C ATOM 984 O GLN A 62 10.863 -4.087 2.011 1.00 12.15 O ATOM 985 CB GLN A 62 13.953 -2.605 2.910 1.00 19.53 C ATOM 986 CG GLN A 62 14.671 -1.207 3.128 1.00 26.38 C ATOM 987 CD GLN A 62 15.248 -0.556 1.872 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.443 -1.223 0.816 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.519 0.769 1.953 1.00 32.71 N ATOM 0 H GLN A 62 11.353 -1.856 3.101 1.00 13.97 H new ATOM 0 HA GLN A 62 13.346 -2.391 0.932 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.542 -2.938 3.863 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.702 -3.339 2.613 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.955 -0.518 3.576 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.478 -1.342 3.848 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.348 1.272 2.824 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.894 1.263 1.143 1.00 32.71 H new ATOM 998 N LYS A 63 12.765 -5.026 1.398 1.00 11.73 N ATOM 999 CA LYS A 63 12.490 -6.419 1.576 1.00 11.97 C ATOM 1000 C LYS A 63 11.680 -6.799 2.779 1.00 10.41 C ATOM 1001 O LYS A 63 12.061 -6.582 3.907 1.00 9.59 O ATOM 1002 CB LYS A 63 13.820 -7.190 1.541 1.00 13.73 C ATOM 1003 CG LYS A 63 13.756 -8.670 2.048 1.00 16.98 C ATOM 1004 CD LYS A 63 15.223 -9.271 2.192 1.00 20.19 C ATOM 1005 CE LYS A 63 15.355 -10.655 2.804 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.546 -11.708 2.120 1.00 25.97 N ATOM 0 H LYS A 63 13.648 -4.905 0.903 1.00 11.73 H new ATOM 0 HA LYS A 63 11.837 -6.695 0.748 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.192 -7.191 0.516 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.549 -6.649 2.144 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.244 -8.710 3.009 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.175 -9.275 1.352 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.675 -9.297 1.201 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.813 -8.579 2.793 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.404 -10.950 2.785 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.056 -10.607 3.851 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 13.665 -11.868 2.650 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.318 -11.398 1.154 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.091 -12.593 2.080 1.00 25.97 H new ATOM 1020 N GLU A 64 10.483 -7.462 2.620 1.00 10.04 N ATOM 1021 CA GLU A 64 9.719 -8.132 3.658 1.00 10.94 C ATOM 1022 C GLU A 64 9.307 -7.123 4.816 1.00 9.74 C ATOM 1023 O GLU A 64 9.074 -7.476 5.962 1.00 9.42 O ATOM 1024 CB GLU A 64 10.500 -9.376 4.227 1.00 18.31 C ATOM 1025 CG GLU A 64 10.588 -10.562 3.172 1.00 24.16 C ATOM 1026 CD GLU A 64 11.262 -11.751 3.755 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.817 -12.264 4.839 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.271 -12.232 3.186 1.00 32.61 O ATOM 0 H GLU A 64 10.030 -7.528 1.709 1.00 10.04 H new ATOM 0 HA GLU A 64 8.799 -8.501 3.206 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.507 -9.071 4.514 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.005 -9.732 5.131 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.585 -10.834 2.843 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.134 -10.228 2.290 1.00 24.16 H new ATOM 1035 N SER A 65 9.147 -5.884 4.442 1.00 6.85 N ATOM 1036 CA SER A 65 8.529 -4.836 5.164 1.00 6.90 C ATOM 1037 C SER A 65 7.074 -5.085 5.337 1.00 4.72 C ATOM 1038 O SER A 65 6.551 -5.848 4.525 1.00 3.91 O ATOM 1039 CB SER A 65 8.570 -3.456 4.428 1.00 7.28 C ATOM 1040 OG SER A 65 9.919 -3.049 4.155 1.00 10.56 O ATOM 0 H SER A 65 9.483 -5.565 3.533 1.00 6.85 H new ATOM 0 HA SER A 65 9.087 -4.808 6.100 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.012 -3.523 3.494 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.077 -2.701 5.040 1.00 7.28 H new ATOM 0 HG SER A 65 10.234 -3.488 3.337 1.00 10.56 H new ATOM 1046 N THR A 66 6.384 -4.515 6.352 1.00 4.48 N ATOM 1047 CA THR A 66 4.953 -4.674 6.550 1.00 3.80 C ATOM 1048 C THR A 66 4.260 -3.299 6.572 1.00 4.60 C ATOM 1049 O THR A 66 4.730 -2.324 7.208 1.00 5.33 O ATOM 1050 CB THR A 66 4.532 -5.480 7.818 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.041 -6.848 7.840 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.044 -5.631 7.886 1.00 3.40 C ATOM 0 H THR A 66 6.826 -3.926 7.058 1.00 4.48 H new ATOM 0 HA THR A 66 4.627 -5.272 5.699 1.00 3.80 H new ATOM 0 HB THR A 66 4.946 -4.905 8.647 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.743 -7.295 8.660 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.776 -6.196 8.779 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.580 -4.646 7.928 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.691 -6.161 7.001 1.00 3.40 H new ATOM 1060 N LEU A 67 3.179 -3.159 5.778 1.00 4.17 N ATOM 1061 CA LEU A 67 2.356 -1.971 5.731 1.00 3.85 C ATOM 1062 C LEU A 67 0.951 -2.456 6.133 1.00 3.80 C ATOM 1063 O LEU A 67 0.683 -3.610 6.521 1.00 5.54 O ATOM 1064 CB LEU A 67 2.331 -1.344 4.276 1.00 7.18 C ATOM 1065 CG LEU A 67 3.684 -1.119 3.619 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.066 -2.297 2.722 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.720 0.128 2.831 1.00 11.66 C ATOM 0 H LEU A 67 2.862 -3.893 5.145 1.00 4.17 H new ATOM 0 HA LEU A 67 2.735 -1.190 6.390 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.741 -1.996 3.632 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.810 -0.388 4.324 1.00 7.18 H new ATOM 0 HG LEU A 67 4.408 -1.033 4.429 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.038 -2.107 2.266 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.117 -3.207 3.319 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.316 -2.417 1.940 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.706 0.246 2.381 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.966 0.084 2.046 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.515 0.977 3.484 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.016 -1.573 6.047 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.348 -1.810 6.604 1.00 4.17 C ATOM 1081 C HIS A 68 -2.319 -1.169 5.649 1.00 5.32 C ATOM 1082 O HIS A 68 -2.014 -0.095 5.089 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.558 -1.287 8.038 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.430 -1.628 8.996 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.761 -0.920 9.072 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.193 -2.863 9.533 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.585 -1.714 9.760 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.076 -2.882 10.023 1.00 16.30 N ATOM 0 H HIS A 68 0.088 -0.667 5.591 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.498 -2.885 6.702 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.676 -0.204 8.004 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.489 -1.697 8.430 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.962 0.003 8.687 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.894 -3.684 9.563 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.576 -1.416 10.068 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.454 -1.776 5.479 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.442 -1.439 4.448 1.00 3.97 C ATOM 1098 C LEU A 69 -5.800 -1.228 5.121 1.00 5.07 C ATOM 1099 O LEU A 69 -6.411 -2.088 5.782 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.495 -2.660 3.399 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.464 -2.558 2.224 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.471 -1.151 1.434 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.224 -3.699 1.253 1.00 9.96 C ATOM 0 H LEU A 69 -3.748 -2.554 6.069 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.176 -0.524 3.919 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.492 -2.795 2.993 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.738 -3.566 3.954 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.454 -2.625 2.676 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.196 -1.194 0.621 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.743 -0.349 2.121 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.479 -0.958 1.026 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.920 -3.618 0.418 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.201 -3.650 0.879 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.378 -4.650 1.763 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.311 -0.027 4.977 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.504 0.407 5.527 1.00 6.26 C ATOM 1117 C VAL A 70 -8.309 1.069 4.352 1.00 9.22 C ATOM 1118 O VAL A 70 -7.767 1.858 3.593 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.226 1.458 6.596 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.552 1.927 7.256 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.230 0.894 7.693 1.00 8.54 C ATOM 0 H VAL A 70 -5.846 0.696 4.429 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.053 -0.415 5.986 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.755 2.316 6.116 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.335 2.677 8.016 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.204 2.359 6.496 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.049 1.075 7.719 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.046 1.661 8.446 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.670 0.017 8.168 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.288 0.616 7.220 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.622 0.713 4.145 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.373 1.128 3.028 1.00 16.06 C ATOM 1133 C LEU A 71 -11.349 2.267 3.334 1.00 18.09 C ATOM 1134 O LEU A 71 -12.439 2.069 3.926 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.244 -0.004 2.447 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.404 -1.231 1.892 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.206 -2.278 1.123 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.130 -0.680 1.189 1.00 19.57 C ATOM 0 H LEU A 71 -10.145 0.121 4.790 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.608 1.454 2.323 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.925 -0.361 3.220 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.859 0.399 1.642 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.077 -1.843 2.732 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.540 -3.073 0.787 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.973 -2.698 1.773 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.679 -1.812 0.259 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.540 -1.511 0.801 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.422 -0.027 0.366 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.534 -0.116 1.906 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.036 3.501 2.944 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.805 4.645 3.377 1.00 25.83 C ATOM 1152 C ARG A 72 -11.755 5.684 2.334 1.00 27.74 C ATOM 1153 O ARG A 72 -10.611 5.877 1.870 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.142 5.173 4.685 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.898 6.351 5.250 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.712 6.518 6.768 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.471 7.674 7.283 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.053 8.457 8.319 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.141 8.114 9.174 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.675 9.624 8.355 1.00 35.02 N ATOM 0 H ARG A 72 -10.254 3.725 2.329 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.847 4.380 3.554 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.106 4.373 5.425 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.112 5.464 4.480 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.569 7.261 4.748 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.959 6.232 5.031 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -12.038 5.611 7.277 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.653 6.647 6.994 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.360 7.901 6.838 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.685 7.205 9.096 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.879 8.753 9.925 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.380 9.848 7.653 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.450 10.300 9.085 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.862 6.390 2.064 1.00 28.93 N ATOM 1175 CA LEU A 73 -12.869 7.437 1.107 1.00 30.76 C ATOM 1176 C LEU A 73 -12.657 8.783 1.832 1.00 32.18 C ATOM 1177 O LEU A 73 -12.809 8.970 3.017 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.216 7.444 0.361 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.489 6.305 -0.570 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.033 6.127 -0.772 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -13.847 6.534 -1.937 1.00 29.11 C ATOM 0 H LEU A 73 -13.762 6.230 2.517 1.00 28.93 H new ATOM 0 HA LEU A 73 -12.067 7.285 0.385 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.013 7.471 1.104 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.281 8.370 -0.210 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.060 5.410 -0.119 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.218 5.295 -1.452 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.504 5.922 0.189 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.452 7.040 -1.194 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.065 5.687 -2.588 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -14.249 7.445 -2.380 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -12.768 6.633 -1.820 1.00 29.11 H new ATOM 1193 N ARG A 74 -12.352 9.796 1.027 1.00 33.82 N ATOM 1194 CA ARG A 74 -12.256 11.201 1.354 1.00 35.33 C ATOM 1195 C ARG A 74 -13.561 11.747 1.925 1.00 36.22 C ATOM 1196 O ARG A 74 -13.487 12.512 2.845 1.00 36.70 O ATOM 1197 CB ARG A 74 -11.699 12.107 0.135 1.00 36.91 C ATOM 1198 CG ARG A 74 -11.667 13.595 0.330 1.00 38.62 C ATOM 1199 CD ARG A 74 -11.264 14.456 -0.908 1.00 39.75 C ATOM 1200 NE ARG A 74 -9.895 13.988 -1.334 1.00 41.13 N ATOM 1201 CZ ARG A 74 -9.314 14.430 -2.473 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -9.768 15.434 -3.255 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -8.256 13.742 -2.877 1.00 41.93 N ATOM 0 H ARG A 74 -12.149 9.631 0.041 1.00 33.82 H new ATOM 0 HA ARG A 74 -11.505 11.271 2.141 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -10.685 11.777 -0.093 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -12.308 11.897 -0.744 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -12.655 13.916 0.661 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -10.972 13.817 1.140 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -11.984 14.332 -1.717 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -11.249 15.516 -0.654 1.00 39.75 H new ATOM 0 HE ARG A 74 -9.394 13.320 -0.748 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -10.622 15.931 -3.002 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -9.257 15.695 -4.098 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -7.933 12.939 -2.337 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -7.765 14.015 -3.728 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.706 11.335 1.492 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.955 11.977 1.888 1.00 36.07 C ATOM 1219 C GLY A 75 -16.566 11.501 3.206 1.00 36.16 C ATOM 1220 O GLY A 75 -17.586 12.063 3.621 1.00 36.26 O ATOM 0 H GLY A 75 -14.822 10.547 0.855 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.782 13.051 1.958 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.687 11.823 1.095 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.976 10.481 3.832 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.370 9.795 5.078 1.00 36.19 C ATOM 1226 C GLY A 76 -15.186 9.395 6.022 1.00 36.20 C ATOM 1227 O GLY A 76 -14.838 8.179 6.168 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.572 10.294 6.590 1.00 0.00 O ATOM 0 H GLY A 76 -15.126 10.069 3.446 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.051 10.442 5.630 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.926 8.895 4.818 1.00 36.19 H new TER 1232 GLY A 76