USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 495 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 Single : A 5 TYR OH : rot 98:sc= 0.227 USER MOD Single : A 8 THR OG1 : rot -108:sc= 0.413 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.486 K(o=-0.49,f=-3) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= -3.03! (180deg=-3.39!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.81 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N PHE A 2 10.164 6.836 -4.939 1.00 0.00 N ATOM 23 CA PHE A 2 8.760 6.751 -4.550 1.00 0.00 C ATOM 24 C PHE A 2 8.603 6.934 -3.043 1.00 0.00 C ATOM 25 O PHE A 2 9.573 7.227 -2.343 1.00 0.00 O ATOM 26 CB PHE A 2 8.176 5.406 -4.983 1.00 0.00 C ATOM 27 CG PHE A 2 8.246 5.173 -6.466 1.00 0.00 C ATOM 28 CD1 PHE A 2 7.273 5.685 -7.307 1.00 0.00 C ATOM 29 CD2 PHE A 2 9.287 4.442 -7.018 1.00 0.00 C ATOM 30 CE1 PHE A 2 7.335 5.474 -8.672 1.00 0.00 C ATOM 31 CE2 PHE A 2 9.354 4.227 -8.382 1.00 0.00 C ATOM 32 CZ PHE A 2 8.377 4.744 -9.209 1.00 0.00 C ATOM 0 HA PHE A 2 8.215 7.552 -5.050 1.00 0.00 H new ATOM 0 HB2 PHE A 2 8.710 4.605 -4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 2 7.136 5.350 -4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.456 6.256 -6.892 1.00 0.00 H new ATOM 0 HD2 PHE A 2 10.054 4.036 -6.375 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.570 5.879 -9.317 1.00 0.00 H new ATOM 0 HE2 PHE A 2 10.169 3.655 -8.800 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.428 4.578 -10.275 1.00 0.00 H new ATOM 42 N ASP A 3 7.381 6.764 -2.546 1.00 0.00 N ATOM 43 CA ASP A 3 7.117 6.921 -1.117 1.00 0.00 C ATOM 44 C ASP A 3 6.520 5.653 -0.514 1.00 0.00 C ATOM 45 O ASP A 3 5.351 5.341 -0.732 1.00 0.00 O ATOM 46 CB ASP A 3 6.175 8.100 -0.875 1.00 0.00 C ATOM 47 CG ASP A 3 6.078 8.464 0.594 1.00 0.00 C ATOM 48 OD1 ASP A 3 5.410 7.725 1.347 1.00 0.00 O ATOM 49 OD2 ASP A 3 6.674 9.487 0.992 1.00 0.00 O ATOM 0 H ASP A 3 6.564 6.520 -3.105 1.00 0.00 H new ATOM 0 HA ASP A 3 8.072 7.114 -0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.525 8.964 -1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.183 7.853 -1.253 1.00 0.00 H new ATOM 54 N ILE A 4 7.329 4.937 0.258 1.00 0.00 N ATOM 55 CA ILE A 4 6.889 3.708 0.901 1.00 0.00 C ATOM 56 C ILE A 4 6.173 3.995 2.219 1.00 0.00 C ATOM 57 O ILE A 4 6.773 4.500 3.169 1.00 0.00 O ATOM 58 CB ILE A 4 8.082 2.775 1.179 1.00 0.00 C ATOM 59 CG1 ILE A 4 8.958 2.645 -0.069 1.00 0.00 C ATOM 60 CG2 ILE A 4 7.590 1.409 1.633 1.00 0.00 C ATOM 61 CD1 ILE A 4 10.300 1.999 0.197 1.00 0.00 C ATOM 0 H ILE A 4 8.298 5.189 0.454 1.00 0.00 H new ATOM 0 HA ILE A 4 6.195 3.222 0.215 1.00 0.00 H new ATOM 0 HB ILE A 4 8.684 3.207 1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.424 2.059 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.119 3.636 -0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.444 0.760 1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.004 1.518 2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.969 0.969 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.866 1.940 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.854 2.596 0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 4 10.148 0.995 0.594 1.00 0.00 H new ATOM 73 N TYR A 5 4.885 3.669 2.263 1.00 0.00 N ATOM 74 CA TYR A 5 4.075 3.876 3.457 1.00 0.00 C ATOM 75 C TYR A 5 4.036 2.605 4.299 1.00 0.00 C ATOM 76 O TYR A 5 3.947 1.500 3.764 1.00 0.00 O ATOM 77 CB TYR A 5 2.651 4.279 3.071 1.00 0.00 C ATOM 78 CG TYR A 5 2.566 5.571 2.288 1.00 0.00 C ATOM 79 CD1 TYR A 5 2.717 5.580 0.907 1.00 0.00 C ATOM 80 CD2 TYR A 5 2.330 6.780 2.929 1.00 0.00 C ATOM 81 CE1 TYR A 5 2.635 6.758 0.188 1.00 0.00 C ATOM 82 CE2 TYR A 5 2.247 7.962 2.217 1.00 0.00 C ATOM 83 CZ TYR A 5 2.400 7.945 0.847 1.00 0.00 C ATOM 84 OH TYR A 5 2.317 9.119 0.136 1.00 0.00 O ATOM 0 H TYR A 5 4.378 3.258 1.479 1.00 0.00 H new ATOM 0 HA TYR A 5 4.526 4.677 4.042 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.206 3.479 2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.054 4.376 3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.901 4.652 0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.209 6.797 4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.755 6.748 -0.885 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.063 8.894 2.731 1.00 0.00 H new ATOM 0 HH TYR A 5 1.375 9.338 -0.025 1.00 0.00 H new ATOM 94 N VAL A 6 4.103 2.768 5.615 1.00 0.00 N ATOM 95 CA VAL A 6 4.075 1.629 6.524 1.00 0.00 C ATOM 96 C VAL A 6 2.693 1.459 7.151 1.00 0.00 C ATOM 97 O VAL A 6 2.066 2.432 7.572 1.00 0.00 O ATOM 98 CB VAL A 6 5.131 1.773 7.640 1.00 0.00 C ATOM 99 CG1 VAL A 6 4.898 3.040 8.448 1.00 0.00 C ATOM 100 CG2 VAL A 6 5.131 0.548 8.544 1.00 0.00 C ATOM 0 H VAL A 6 4.177 3.675 6.075 1.00 0.00 H new ATOM 0 HA VAL A 6 4.309 0.744 5.932 1.00 0.00 H new ATOM 0 HB VAL A 6 6.111 1.849 7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.655 3.118 9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.963 3.907 7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.909 3.004 8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.883 0.671 9.323 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.149 0.434 9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.361 -0.339 7.954 1.00 0.00 H new ATOM 110 N VAL A 7 2.223 0.216 7.200 1.00 0.00 N ATOM 111 CA VAL A 7 0.916 -0.087 7.772 1.00 0.00 C ATOM 112 C VAL A 7 1.018 -0.298 9.279 1.00 0.00 C ATOM 113 O VAL A 7 1.597 -1.282 9.739 1.00 0.00 O ATOM 114 CB VAL A 7 0.301 -1.344 7.126 1.00 0.00 C ATOM 115 CG1 VAL A 7 -1.093 -1.606 7.678 1.00 0.00 C ATOM 116 CG2 VAL A 7 0.264 -1.204 5.611 1.00 0.00 C ATOM 0 H VAL A 7 2.729 -0.598 6.850 1.00 0.00 H new ATOM 0 HA VAL A 7 0.270 0.767 7.570 1.00 0.00 H new ATOM 0 HB VAL A 7 0.930 -2.199 7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.509 -2.498 7.209 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.035 -1.757 8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.735 -0.751 7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.173 -2.101 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.339 -0.337 5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.278 -1.073 5.233 1.00 0.00 H new ATOM 126 N THR A 8 0.454 0.632 10.044 1.00 0.00 N ATOM 127 CA THR A 8 0.487 0.547 11.499 1.00 0.00 C ATOM 128 C THR A 8 -0.922 0.480 12.084 1.00 0.00 C ATOM 129 O THR A 8 -1.120 0.710 13.277 1.00 0.00 O ATOM 130 CB THR A 8 1.229 1.747 12.117 1.00 0.00 C ATOM 131 OG1 THR A 8 0.584 2.970 11.742 1.00 0.00 O ATOM 132 CG2 THR A 8 2.683 1.775 11.665 1.00 0.00 C ATOM 0 H THR A 8 -0.031 1.452 9.680 1.00 0.00 H new ATOM 0 HA THR A 8 1.023 -0.370 11.746 1.00 0.00 H new ATOM 0 HB THR A 8 1.203 1.642 13.202 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.145 3.452 11.099 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.187 2.631 12.114 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.179 0.856 11.978 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.725 1.858 10.579 1.00 0.00 H new ATOM 140 N ALA A 9 -1.896 0.157 11.238 1.00 0.00 N ATOM 141 CA ALA A 9 -3.286 0.062 11.673 1.00 0.00 C ATOM 142 C ALA A 9 -3.900 -1.278 11.282 1.00 0.00 C ATOM 143 O ALA A 9 -5.039 -1.574 11.642 1.00 0.00 O ATOM 144 CB ALA A 9 -4.101 1.206 11.088 1.00 0.00 C ATOM 0 H ALA A 9 -1.749 -0.043 10.249 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.302 0.134 12.761 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.136 1.123 11.421 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.687 2.157 11.424 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.065 1.159 10.000 1.00 0.00 H new ATOM 150 N ASP A 10 -3.138 -2.081 10.542 1.00 0.00 N ATOM 151 CA ASP A 10 -3.602 -3.394 10.099 1.00 0.00 C ATOM 152 C ASP A 10 -4.846 -3.268 9.222 1.00 0.00 C ATOM 153 O ASP A 10 -5.962 -3.145 9.726 1.00 0.00 O ATOM 154 CB ASP A 10 -3.903 -4.291 11.304 1.00 0.00 C ATOM 155 CG ASP A 10 -4.305 -5.694 10.896 1.00 0.00 C ATOM 156 OD1 ASP A 10 -3.409 -6.555 10.767 1.00 0.00 O ATOM 157 OD2 ASP A 10 -5.516 -5.934 10.708 1.00 0.00 O ATOM 0 H ASP A 10 -2.194 -1.844 10.236 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.807 -3.848 9.508 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.023 -4.340 11.945 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.703 -3.844 11.895 1.00 0.00 H new ATOM 162 N TYR A 11 -4.646 -3.297 7.907 1.00 0.00 N ATOM 163 CA TYR A 11 -5.753 -3.185 6.963 1.00 0.00 C ATOM 164 C TYR A 11 -6.183 -4.563 6.464 1.00 0.00 C ATOM 165 O TYR A 11 -5.664 -5.063 5.466 1.00 0.00 O ATOM 166 CB TYR A 11 -5.359 -2.296 5.781 1.00 0.00 C ATOM 167 CG TYR A 11 -6.528 -1.889 4.908 1.00 0.00 C ATOM 168 CD1 TYR A 11 -6.994 -2.726 3.902 1.00 0.00 C ATOM 169 CD2 TYR A 11 -7.164 -0.667 5.091 1.00 0.00 C ATOM 170 CE1 TYR A 11 -8.060 -2.357 3.103 1.00 0.00 C ATOM 171 CE2 TYR A 11 -8.231 -0.290 4.297 1.00 0.00 C ATOM 172 CZ TYR A 11 -8.675 -1.139 3.305 1.00 0.00 C ATOM 173 OH TYR A 11 -9.736 -0.769 2.512 1.00 0.00 O ATOM 0 H TYR A 11 -3.729 -3.397 7.472 1.00 0.00 H new ATOM 0 HA TYR A 11 -6.596 -2.728 7.482 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.870 -1.398 6.160 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.627 -2.823 5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.516 -3.681 3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.819 -0.000 5.867 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.410 -3.019 2.325 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.714 0.663 4.453 1.00 0.00 H new ATOM 0 HH TYR A 11 -10.055 0.116 2.785 1.00 0.00 H new ATOM 183 N LEU A 12 -7.129 -5.173 7.171 1.00 0.00 N ATOM 184 CA LEU A 12 -7.630 -6.493 6.804 1.00 0.00 C ATOM 185 C LEU A 12 -9.109 -6.419 6.415 1.00 0.00 C ATOM 186 O LEU A 12 -9.974 -6.292 7.281 1.00 0.00 O ATOM 187 CB LEU A 12 -7.443 -7.468 7.972 1.00 0.00 C ATOM 188 CG LEU A 12 -7.270 -8.939 7.581 1.00 0.00 C ATOM 189 CD1 LEU A 12 -6.857 -9.764 8.791 1.00 0.00 C ATOM 190 CD2 LEU A 12 -8.552 -9.492 6.975 1.00 0.00 C ATOM 0 H LEU A 12 -7.565 -4.774 8.002 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.064 -6.852 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.570 -7.157 8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.305 -7.385 8.634 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.483 -9.002 6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.738 -10.807 8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.912 -9.387 9.183 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.625 -9.690 9.561 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.405 -10.538 6.705 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.361 -9.415 7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.809 -8.920 6.084 1.00 0.00 H new ATOM 202 N PRO A 13 -9.421 -6.495 5.104 1.00 0.00 N ATOM 203 CA PRO A 13 -10.805 -6.433 4.616 1.00 0.00 C ATOM 204 C PRO A 13 -11.674 -7.547 5.188 1.00 0.00 C ATOM 205 O PRO A 13 -11.184 -8.635 5.492 1.00 0.00 O ATOM 206 CB PRO A 13 -10.669 -6.598 3.099 1.00 0.00 C ATOM 207 CG PRO A 13 -9.257 -6.240 2.792 1.00 0.00 C ATOM 208 CD PRO A 13 -8.457 -6.644 3.999 1.00 0.00 C ATOM 0 HA PRO A 13 -11.291 -5.504 4.914 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.892 -7.620 2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.364 -5.948 2.568 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.907 -6.760 1.900 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.158 -5.172 2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.093 -7.668 3.917 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.584 -6.006 4.136 1.00 0.00 H new ATOM 216 N LEU A 14 -12.966 -7.269 5.331 1.00 0.00 N ATOM 217 CA LEU A 14 -13.904 -8.251 5.863 1.00 0.00 C ATOM 218 C LEU A 14 -14.998 -8.564 4.847 1.00 0.00 C ATOM 219 O LEU A 14 -15.979 -7.829 4.730 1.00 0.00 O ATOM 220 CB LEU A 14 -14.533 -7.745 7.165 1.00 0.00 C ATOM 221 CG LEU A 14 -13.546 -7.464 8.299 1.00 0.00 C ATOM 222 CD1 LEU A 14 -12.916 -6.090 8.133 1.00 0.00 C ATOM 223 CD2 LEU A 14 -14.241 -7.576 9.649 1.00 0.00 C ATOM 0 H LEU A 14 -13.387 -6.373 5.086 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.349 -9.166 6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.086 -6.830 6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.258 -8.482 7.510 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.752 -8.210 8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.217 -5.909 8.950 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.383 -6.046 7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.695 -5.328 8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.525 -7.373 10.445 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.055 -6.853 9.700 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.642 -8.582 9.769 1.00 0.00 H new ATOM 235 N GLY A 15 -14.819 -9.657 4.111 1.00 0.00 N ATOM 236 CA GLY A 15 -15.799 -10.050 3.114 1.00 0.00 C ATOM 237 C GLY A 15 -15.217 -10.109 1.716 1.00 0.00 C ATOM 238 O GLY A 15 -14.340 -10.926 1.434 1.00 0.00 O ATOM 0 H GLY A 15 -14.013 -10.277 4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.206 -11.027 3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.629 -9.344 3.128 1.00 0.00 H new ATOM 242 N ALA A 16 -15.709 -9.240 0.837 1.00 0.00 N ATOM 243 CA ALA A 16 -15.236 -9.194 -0.543 1.00 0.00 C ATOM 244 C ALA A 16 -14.512 -7.882 -0.830 1.00 0.00 C ATOM 245 O ALA A 16 -15.058 -6.801 -0.614 1.00 0.00 O ATOM 246 CB ALA A 16 -16.399 -9.377 -1.504 1.00 0.00 C ATOM 0 H ALA A 16 -16.435 -8.558 1.056 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.528 -10.010 -0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.032 -9.341 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.873 -10.341 -1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.127 -8.580 -1.350 1.00 0.00 H new ATOM 252 N GLU A 17 -13.279 -7.988 -1.317 1.00 0.00 N ATOM 253 CA GLU A 17 -12.479 -6.810 -1.634 1.00 0.00 C ATOM 254 C GLU A 17 -12.840 -6.256 -3.010 1.00 0.00 C ATOM 255 O GLU A 17 -12.996 -7.009 -3.971 1.00 0.00 O ATOM 256 CB GLU A 17 -10.987 -7.150 -1.591 1.00 0.00 C ATOM 257 CG GLU A 17 -10.521 -7.706 -0.255 1.00 0.00 C ATOM 258 CD GLU A 17 -10.963 -9.139 -0.028 1.00 0.00 C ATOM 259 OE1 GLU A 17 -10.295 -10.056 -0.550 1.00 0.00 O ATOM 260 OE2 GLU A 17 -11.975 -9.346 0.675 1.00 0.00 O ATOM 0 H GLU A 17 -12.813 -8.877 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.696 -6.049 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.767 -7.877 -2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.413 -6.252 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.433 -7.654 -0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.908 -7.080 0.549 1.00 0.00 H new ATOM 267 N GLN A 18 -12.970 -4.934 -3.096 1.00 0.00 N ATOM 268 CA GLN A 18 -13.306 -4.277 -4.353 1.00 0.00 C ATOM 269 C GLN A 18 -12.125 -3.456 -4.862 1.00 0.00 C ATOM 270 O GLN A 18 -11.900 -2.333 -4.410 1.00 0.00 O ATOM 271 CB GLN A 18 -14.531 -3.377 -4.173 1.00 0.00 C ATOM 272 CG GLN A 18 -15.774 -4.123 -3.719 1.00 0.00 C ATOM 273 CD GLN A 18 -16.957 -3.202 -3.491 1.00 0.00 C ATOM 274 OE1 GLN A 18 -17.086 -2.165 -4.142 1.00 0.00 O ATOM 275 NE2 GLN A 18 -17.830 -3.578 -2.563 1.00 0.00 N ATOM 0 H GLN A 18 -12.847 -4.298 -2.308 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.539 -5.046 -5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.297 -2.601 -3.444 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.744 -2.874 -5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.039 -4.870 -4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.554 -4.661 -2.797 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.684 -4.446 -2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -18.646 -2.999 -2.366 1.00 0.00 H new ATOM 284 N ASP A 19 -11.374 -4.026 -5.801 1.00 0.00 N ATOM 285 CA ASP A 19 -10.212 -3.351 -6.373 1.00 0.00 C ATOM 286 C ASP A 19 -9.217 -2.954 -5.284 1.00 0.00 C ATOM 287 O ASP A 19 -8.398 -2.054 -5.477 1.00 0.00 O ATOM 288 CB ASP A 19 -10.649 -2.111 -7.158 1.00 0.00 C ATOM 289 CG ASP A 19 -11.597 -2.448 -8.292 1.00 0.00 C ATOM 290 OD1 ASP A 19 -11.111 -2.781 -9.394 1.00 0.00 O ATOM 291 OD2 ASP A 19 -12.826 -2.378 -8.079 1.00 0.00 O ATOM 0 H ASP A 19 -11.550 -4.955 -6.183 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.719 -4.047 -7.052 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.133 -1.408 -6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.768 -1.611 -7.561 1.00 0.00 H new ATOM 296 N ALA A 20 -9.289 -3.636 -4.145 1.00 0.00 N ATOM 297 CA ALA A 20 -8.398 -3.353 -3.024 1.00 0.00 C ATOM 298 C ALA A 20 -7.417 -4.498 -2.796 1.00 0.00 C ATOM 299 O ALA A 20 -7.530 -5.558 -3.412 1.00 0.00 O ATOM 300 CB ALA A 20 -9.210 -3.093 -1.764 1.00 0.00 C ATOM 0 H ALA A 20 -9.955 -4.389 -3.974 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.821 -2.461 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.536 -2.883 -0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.866 -2.237 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.811 -3.972 -1.530 1.00 0.00 H new ATOM 306 N ILE A 21 -6.453 -4.277 -1.905 1.00 0.00 N ATOM 307 CA ILE A 21 -5.451 -5.290 -1.591 1.00 0.00 C ATOM 308 C ILE A 21 -5.276 -5.435 -0.081 1.00 0.00 C ATOM 309 O ILE A 21 -5.324 -4.450 0.657 1.00 0.00 O ATOM 310 CB ILE A 21 -4.089 -4.959 -2.235 1.00 0.00 C ATOM 311 CG1 ILE A 21 -3.054 -6.035 -1.890 1.00 0.00 C ATOM 312 CG2 ILE A 21 -3.609 -3.586 -1.784 1.00 0.00 C ATOM 313 CD1 ILE A 21 -1.745 -5.885 -2.636 1.00 0.00 C ATOM 0 H ILE A 21 -6.345 -3.404 -1.388 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.811 -6.233 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.213 -4.942 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.856 -6.005 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.476 -7.016 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.647 -3.367 -2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.336 -2.830 -2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.500 -3.577 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.064 -6.682 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.929 -5.945 -3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.299 -4.919 -2.398 1.00 0.00 H new ATOM 325 N THR A 22 -5.072 -6.669 0.370 1.00 0.00 N ATOM 326 CA THR A 22 -4.892 -6.948 1.790 1.00 0.00 C ATOM 327 C THR A 22 -3.522 -6.485 2.274 1.00 0.00 C ATOM 328 O THR A 22 -2.496 -6.822 1.684 1.00 0.00 O ATOM 329 CB THR A 22 -5.051 -8.452 2.088 1.00 0.00 C ATOM 330 OG1 THR A 22 -6.317 -8.915 1.605 1.00 0.00 O ATOM 331 CG2 THR A 22 -4.944 -8.727 3.582 1.00 0.00 C ATOM 0 H THR A 22 -5.027 -7.493 -0.229 1.00 0.00 H new ATOM 0 HA THR A 22 -5.665 -6.395 2.323 1.00 0.00 H new ATOM 0 HB THR A 22 -4.248 -8.985 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.410 -9.872 1.796 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.060 -9.795 3.765 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.969 -8.401 3.943 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.727 -8.182 4.109 1.00 0.00 H new ATOM 339 N LEU A 23 -3.515 -5.708 3.354 1.00 0.00 N ATOM 340 CA LEU A 23 -2.274 -5.198 3.925 1.00 0.00 C ATOM 341 C LEU A 23 -2.218 -5.468 5.425 1.00 0.00 C ATOM 342 O LEU A 23 -3.091 -5.035 6.176 1.00 0.00 O ATOM 343 CB LEU A 23 -2.140 -3.696 3.660 1.00 0.00 C ATOM 344 CG LEU A 23 -1.997 -3.302 2.187 1.00 0.00 C ATOM 345 CD1 LEU A 23 -1.968 -1.788 2.043 1.00 0.00 C ATOM 346 CD2 LEU A 23 -0.740 -3.916 1.589 1.00 0.00 C ATOM 0 H LEU A 23 -4.357 -5.418 3.851 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.444 -5.717 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.015 -3.192 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.272 -3.324 4.205 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.860 -3.686 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.866 -1.525 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.894 -1.367 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.123 -1.386 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.656 -3.625 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.134 -3.561 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.796 -5.002 1.660 1.00 0.00 H new ATOM 358 N ARG A 24 -1.184 -6.185 5.856 1.00 0.00 N ATOM 359 CA ARG A 24 -1.017 -6.512 7.268 1.00 0.00 C ATOM 360 C ARG A 24 -0.168 -5.459 7.971 1.00 0.00 C ATOM 361 O ARG A 24 0.769 -4.914 7.387 1.00 0.00 O ATOM 362 CB ARG A 24 -0.372 -7.891 7.430 1.00 0.00 C ATOM 363 CG ARG A 24 -1.229 -9.037 6.910 1.00 0.00 C ATOM 364 CD ARG A 24 -1.083 -9.212 5.407 1.00 0.00 C ATOM 365 NE ARG A 24 0.262 -9.647 5.035 1.00 0.00 N ATOM 366 CZ ARG A 24 0.556 -10.226 3.874 1.00 0.00 C ATOM 367 NH1 ARG A 24 -0.394 -10.436 2.972 1.00 0.00 N ATOM 368 NH2 ARG A 24 1.802 -10.595 3.615 1.00 0.00 N ATOM 0 H ARG A 24 -0.450 -6.550 5.249 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.006 -6.528 7.727 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.584 -7.898 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.158 -8.060 8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.945 -9.961 7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.275 -8.849 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.811 -9.943 5.055 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.310 -8.270 4.908 1.00 0.00 H new ATOM 0 HE ARG A 24 1.018 -9.498 5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.354 -10.153 3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.164 -10.880 2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.535 -10.435 4.306 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.028 -11.039 2.725 1.00 0.00 H new ATOM 382 N GLU A 25 -0.502 -5.176 9.227 1.00 0.00 N ATOM 383 CA GLU A 25 0.233 -4.190 10.010 1.00 0.00 C ATOM 384 C GLU A 25 1.707 -4.570 10.115 1.00 0.00 C ATOM 385 O GLU A 25 2.071 -5.491 10.847 1.00 0.00 O ATOM 386 CB GLU A 25 -0.378 -4.058 11.407 1.00 0.00 C ATOM 387 CG GLU A 25 0.446 -3.203 12.357 1.00 0.00 C ATOM 388 CD GLU A 25 -0.197 -3.061 13.723 1.00 0.00 C ATOM 389 OE1 GLU A 25 -0.990 -2.114 13.910 1.00 0.00 O ATOM 390 OE2 GLU A 25 0.095 -3.893 14.606 1.00 0.00 O ATOM 0 H GLU A 25 -1.277 -5.616 9.723 1.00 0.00 H new ATOM 0 HA GLU A 25 0.161 -3.229 9.501 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.376 -3.628 11.318 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.496 -5.052 11.837 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.436 -3.644 12.470 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.586 -2.214 11.921 1.00 0.00 H new ATOM 397 N GLY A 26 2.548 -3.854 9.378 1.00 0.00 N ATOM 398 CA GLY A 26 3.973 -4.126 9.395 1.00 0.00 C ATOM 399 C GLY A 26 4.533 -4.342 8.003 1.00 0.00 C ATOM 400 O GLY A 26 5.668 -4.791 7.845 1.00 0.00 O ATOM 0 H GLY A 26 2.267 -3.087 8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.494 -3.294 9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.165 -5.010 10.003 1.00 0.00 H new ATOM 404 N GLN A 27 3.731 -4.023 6.992 1.00 0.00 N ATOM 405 CA GLN A 27 4.138 -4.180 5.610 1.00 0.00 C ATOM 406 C GLN A 27 4.556 -2.842 5.008 1.00 0.00 C ATOM 407 O GLN A 27 4.079 -1.785 5.424 1.00 0.00 O ATOM 408 CB GLN A 27 2.983 -4.770 4.809 1.00 0.00 C ATOM 409 CG GLN A 27 3.225 -6.196 4.355 1.00 0.00 C ATOM 410 CD GLN A 27 2.122 -6.715 3.452 1.00 0.00 C ATOM 411 OE1 GLN A 27 1.136 -7.283 3.920 1.00 0.00 O ATOM 412 NE2 GLN A 27 2.285 -6.521 2.148 1.00 0.00 N ATOM 0 H GLN A 27 2.789 -3.652 7.111 1.00 0.00 H new ATOM 0 HA GLN A 27 4.996 -4.851 5.572 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.078 -4.739 5.416 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.802 -4.145 3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.177 -6.249 3.827 1.00 0.00 H new ATOM 0 HG3 GLN A 27 3.309 -6.842 5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.119 -6.045 1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.576 -6.848 1.491 1.00 0.00 H new ATOM 421 N TYR A 28 5.451 -2.898 4.027 1.00 0.00 N ATOM 422 CA TYR A 28 5.939 -1.695 3.360 1.00 0.00 C ATOM 423 C TYR A 28 5.546 -1.707 1.886 1.00 0.00 C ATOM 424 O TYR A 28 5.591 -2.751 1.235 1.00 0.00 O ATOM 425 CB TYR A 28 7.461 -1.597 3.491 1.00 0.00 C ATOM 426 CG TYR A 28 7.963 -1.755 4.909 1.00 0.00 C ATOM 427 CD1 TYR A 28 8.277 -3.008 5.419 1.00 0.00 C ATOM 428 CD2 TYR A 28 8.125 -0.650 5.737 1.00 0.00 C ATOM 429 CE1 TYR A 28 8.737 -3.158 6.713 1.00 0.00 C ATOM 430 CE2 TYR A 28 8.585 -0.792 7.033 1.00 0.00 C ATOM 431 CZ TYR A 28 8.890 -2.047 7.516 1.00 0.00 C ATOM 432 OH TYR A 28 9.346 -2.193 8.805 1.00 0.00 O ATOM 0 H TYR A 28 5.854 -3.766 3.675 1.00 0.00 H new ATOM 0 HA TYR A 28 5.485 -0.827 3.839 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.920 -2.362 2.865 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.788 -0.632 3.105 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.160 -3.880 4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.888 0.335 5.362 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.976 -4.140 7.094 1.00 0.00 H new ATOM 0 HE2 TYR A 28 8.705 0.076 7.664 1.00 0.00 H new ATOM 0 HH TYR A 28 9.398 -1.314 9.235 1.00 0.00 H new ATOM 442 N VAL A 29 5.157 -0.548 1.362 1.00 0.00 N ATOM 443 CA VAL A 29 4.758 -0.449 -0.039 1.00 0.00 C ATOM 444 C VAL A 29 4.840 0.988 -0.557 1.00 0.00 C ATOM 445 O VAL A 29 4.202 1.890 -0.019 1.00 0.00 O ATOM 446 CB VAL A 29 3.322 -0.980 -0.238 1.00 0.00 C ATOM 447 CG1 VAL A 29 2.387 -0.411 0.816 1.00 0.00 C ATOM 448 CG2 VAL A 29 2.815 -0.656 -1.635 1.00 0.00 C ATOM 0 H VAL A 29 5.110 0.329 1.881 1.00 0.00 H new ATOM 0 HA VAL A 29 5.457 -1.061 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 29 3.344 -2.064 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.381 -0.798 0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.735 -0.702 1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.373 0.676 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.802 -1.040 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.813 0.424 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.467 -1.120 -2.375 1.00 0.00 H new ATOM 458 N GLU A 30 5.621 1.183 -1.617 1.00 0.00 N ATOM 459 CA GLU A 30 5.779 2.495 -2.236 1.00 0.00 C ATOM 460 C GLU A 30 4.557 2.848 -3.082 1.00 0.00 C ATOM 461 O GLU A 30 3.863 1.963 -3.584 1.00 0.00 O ATOM 462 CB GLU A 30 7.038 2.517 -3.104 1.00 0.00 C ATOM 463 CG GLU A 30 7.094 1.384 -4.118 1.00 0.00 C ATOM 464 CD GLU A 30 8.376 1.385 -4.928 1.00 0.00 C ATOM 465 OE1 GLU A 30 9.442 1.078 -4.354 1.00 0.00 O ATOM 466 OE2 GLU A 30 8.312 1.688 -6.139 1.00 0.00 O ATOM 0 H GLU A 30 6.158 0.442 -2.067 1.00 0.00 H new ATOM 0 HA GLU A 30 5.876 3.238 -1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.090 3.469 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.915 2.461 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.999 0.431 -3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.242 1.464 -4.794 1.00 0.00 H new ATOM 473 N VAL A 31 4.300 4.144 -3.236 1.00 0.00 N ATOM 474 CA VAL A 31 3.163 4.610 -4.018 1.00 0.00 C ATOM 475 C VAL A 31 3.537 4.787 -5.485 1.00 0.00 C ATOM 476 O VAL A 31 4.646 5.217 -5.805 1.00 0.00 O ATOM 477 CB VAL A 31 2.607 5.939 -3.467 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.658 7.036 -3.542 1.00 0.00 C ATOM 479 CG2 VAL A 31 1.347 6.344 -4.219 1.00 0.00 C ATOM 0 H VAL A 31 4.865 4.889 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 31 2.390 3.846 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 31 2.347 5.793 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.244 7.964 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.528 6.748 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.957 7.184 -4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.969 7.284 -3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.579 6.470 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.589 5.569 -4.103 1.00 0.00 H new ATOM 489 N LEU A 32 2.599 4.451 -6.367 1.00 0.00 N ATOM 490 CA LEU A 32 2.816 4.560 -7.805 1.00 0.00 C ATOM 491 C LEU A 32 2.207 5.845 -8.360 1.00 0.00 C ATOM 492 O LEU A 32 2.911 6.686 -8.918 1.00 0.00 O ATOM 493 CB LEU A 32 2.207 3.350 -8.519 1.00 0.00 C ATOM 494 CG LEU A 32 2.801 1.996 -8.128 1.00 0.00 C ATOM 495 CD1 LEU A 32 1.965 0.861 -8.701 1.00 0.00 C ATOM 496 CD2 LEU A 32 4.241 1.889 -8.605 1.00 0.00 C ATOM 0 H LEU A 32 1.677 4.099 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 32 3.891 4.586 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.136 3.331 -8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.327 3.484 -9.594 1.00 0.00 H new ATOM 0 HG LEU A 32 2.791 1.917 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.403 -0.095 -8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.948 0.926 -8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.944 0.937 -9.788 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.648 0.919 -8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.273 1.990 -9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.835 2.681 -8.149 1.00 0.00 H new ATOM 508 N ASP A 33 0.894 5.987 -8.203 1.00 0.00 N ATOM 509 CA ASP A 33 0.184 7.163 -8.696 1.00 0.00 C ATOM 510 C ASP A 33 0.506 8.399 -7.860 1.00 0.00 C ATOM 511 O ASP A 33 1.260 9.272 -8.292 1.00 0.00 O ATOM 512 CB ASP A 33 -1.324 6.912 -8.693 1.00 0.00 C ATOM 513 CG ASP A 33 -2.112 8.118 -9.166 1.00 0.00 C ATOM 514 OD1 ASP A 33 -2.475 8.960 -8.318 1.00 0.00 O ATOM 515 OD2 ASP A 33 -2.363 8.221 -10.385 1.00 0.00 O ATOM 0 H ASP A 33 0.299 5.301 -7.738 1.00 0.00 H new ATOM 0 HA ASP A 33 0.517 7.347 -9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.549 6.060 -9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.643 6.645 -7.685 1.00 0.00 H new ATOM 520 N ALA A 34 -0.072 8.464 -6.663 1.00 0.00 N ATOM 521 CA ALA A 34 0.141 9.593 -5.764 1.00 0.00 C ATOM 522 C ALA A 34 -0.348 10.894 -6.394 1.00 0.00 C ATOM 523 O ALA A 34 0.399 11.573 -7.099 1.00 0.00 O ATOM 524 CB ALA A 34 1.611 9.705 -5.383 1.00 0.00 C ATOM 0 H ALA A 34 -0.694 7.745 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.439 9.416 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.749 10.553 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.928 8.790 -4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.210 9.852 -6.282 1.00 0.00 H new ATOM 530 N ALA A 35 -1.610 11.231 -6.143 1.00 0.00 N ATOM 531 CA ALA A 35 -2.202 12.450 -6.684 1.00 0.00 C ATOM 532 C ALA A 35 -3.448 12.854 -5.900 1.00 0.00 C ATOM 533 O ALA A 35 -3.479 13.909 -5.268 1.00 0.00 O ATOM 534 CB ALA A 35 -2.541 12.265 -8.155 1.00 0.00 C ATOM 0 H ALA A 35 -2.243 10.676 -5.567 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.469 13.251 -6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.982 13.182 -8.545 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.633 12.034 -8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.252 11.446 -8.264 1.00 0.00 H new ATOM 540 N HIS A 36 -4.474 12.007 -5.947 1.00 0.00 N ATOM 541 CA HIS A 36 -5.724 12.276 -5.243 1.00 0.00 C ATOM 542 C HIS A 36 -5.715 11.646 -3.850 1.00 0.00 C ATOM 543 O HIS A 36 -5.714 10.423 -3.722 1.00 0.00 O ATOM 544 CB HIS A 36 -6.909 11.737 -6.048 1.00 0.00 C ATOM 545 CG HIS A 36 -7.010 12.314 -7.424 1.00 0.00 C ATOM 546 ND1 HIS A 36 -6.643 11.621 -8.559 1.00 0.00 N ATOM 547 CD2 HIS A 36 -7.446 13.524 -7.849 1.00 0.00 C ATOM 548 CE1 HIS A 36 -6.846 12.379 -9.622 1.00 0.00 C ATOM 549 NE2 HIS A 36 -7.333 13.538 -9.219 1.00 0.00 N ATOM 0 H HIS A 36 -4.464 11.129 -6.466 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.824 13.356 -5.132 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.823 10.653 -6.123 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.831 11.947 -5.506 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.814 14.327 -7.228 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.647 12.098 -10.646 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.585 14.318 -9.826 1.00 0.00 H new ATOM 558 N PRO A 37 -5.717 12.474 -2.782 1.00 0.00 N ATOM 559 CA PRO A 37 -5.702 11.982 -1.396 1.00 0.00 C ATOM 560 C PRO A 37 -6.748 10.900 -1.142 1.00 0.00 C ATOM 561 O PRO A 37 -6.603 10.087 -0.228 1.00 0.00 O ATOM 562 CB PRO A 37 -6.030 13.237 -0.590 1.00 0.00 C ATOM 563 CG PRO A 37 -5.487 14.339 -1.401 1.00 0.00 C ATOM 564 CD PRO A 37 -5.737 13.951 -2.832 1.00 0.00 C ATOM 0 HA PRO A 37 -4.752 11.515 -1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.104 13.345 -0.440 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.572 13.207 0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.978 15.282 -1.159 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.422 14.476 -1.213 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.693 14.330 -3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.968 14.343 -3.497 1.00 0.00 H new ATOM 572 N LEU A 38 -7.800 10.899 -1.956 1.00 0.00 N ATOM 573 CA LEU A 38 -8.873 9.918 -1.825 1.00 0.00 C ATOM 574 C LEU A 38 -8.321 8.494 -1.812 1.00 0.00 C ATOM 575 O LEU A 38 -8.415 7.792 -0.804 1.00 0.00 O ATOM 576 CB LEU A 38 -9.883 10.072 -2.969 1.00 0.00 C ATOM 577 CG LEU A 38 -10.844 11.263 -2.853 1.00 0.00 C ATOM 578 CD1 LEU A 38 -11.667 11.168 -1.577 1.00 0.00 C ATOM 579 CD2 LEU A 38 -10.083 12.581 -2.902 1.00 0.00 C ATOM 0 H LEU A 38 -7.932 11.568 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.376 10.102 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.332 10.163 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.473 9.158 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.525 11.231 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.341 12.022 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.249 10.246 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.001 11.168 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.786 13.410 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.373 12.622 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.545 12.656 -3.847 1.00 0.00 H new ATOM 591 N ARG A 39 -7.747 8.072 -2.935 1.00 0.00 N ATOM 592 CA ARG A 39 -7.184 6.730 -3.050 1.00 0.00 C ATOM 593 C ARG A 39 -5.988 6.715 -3.997 1.00 0.00 C ATOM 594 O ARG A 39 -6.041 7.288 -5.086 1.00 0.00 O ATOM 595 CB ARG A 39 -8.253 5.751 -3.538 1.00 0.00 C ATOM 596 CG ARG A 39 -8.949 6.201 -4.812 1.00 0.00 C ATOM 597 CD ARG A 39 -10.195 5.377 -5.094 1.00 0.00 C ATOM 598 NE ARG A 39 -9.883 3.978 -5.376 1.00 0.00 N ATOM 599 CZ ARG A 39 -10.758 3.118 -5.889 1.00 0.00 C ATOM 600 NH1 ARG A 39 -11.993 3.513 -6.172 1.00 0.00 N ATOM 601 NH2 ARG A 39 -10.402 1.863 -6.121 1.00 0.00 N ATOM 0 H ARG A 39 -7.659 8.639 -3.778 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.839 6.421 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.793 4.778 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.998 5.618 -2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.220 7.253 -4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.260 6.117 -5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.866 5.432 -4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.727 5.806 -5.943 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.942 3.642 -5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.273 4.478 -5.996 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.662 2.852 -6.565 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.454 1.554 -5.906 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.076 1.206 -6.515 1.00 0.00 H new ATOM 615 N TRP A 40 -4.909 6.059 -3.575 1.00 0.00 N ATOM 616 CA TRP A 40 -3.701 5.972 -4.389 1.00 0.00 C ATOM 617 C TRP A 40 -3.392 4.528 -4.777 1.00 0.00 C ATOM 618 O TRP A 40 -3.671 3.597 -4.021 1.00 0.00 O ATOM 619 CB TRP A 40 -2.506 6.567 -3.638 1.00 0.00 C ATOM 620 CG TRP A 40 -2.598 8.049 -3.427 1.00 0.00 C ATOM 621 CD1 TRP A 40 -3.150 8.966 -4.275 1.00 0.00 C ATOM 622 CD2 TRP A 40 -2.110 8.787 -2.301 1.00 0.00 C ATOM 623 NE1 TRP A 40 -3.040 10.228 -3.742 1.00 0.00 N ATOM 624 CE2 TRP A 40 -2.406 10.144 -2.530 1.00 0.00 C ATOM 625 CE3 TRP A 40 -1.456 8.431 -1.118 1.00 0.00 C ATOM 626 CZ2 TRP A 40 -2.068 11.144 -1.621 1.00 0.00 C ATOM 627 CZ3 TRP A 40 -1.119 9.424 -0.217 1.00 0.00 C ATOM 628 CH2 TRP A 40 -1.426 10.767 -0.473 1.00 0.00 C ATOM 0 H TRP A 40 -4.848 5.581 -2.676 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.879 6.543 -5.300 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.418 6.077 -2.669 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.594 6.345 -4.192 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.606 8.733 -5.226 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.376 11.087 -4.178 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.218 7.398 -0.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.304 12.180 -1.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.611 9.160 0.699 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.150 11.520 0.251 1.00 0.00 H new ATOM 639 N LEU A 41 -2.815 4.354 -5.963 1.00 0.00 N ATOM 640 CA LEU A 41 -2.450 3.031 -6.457 1.00 0.00 C ATOM 641 C LEU A 41 -1.064 2.645 -5.953 1.00 0.00 C ATOM 642 O LEU A 41 -0.082 3.333 -6.229 1.00 0.00 O ATOM 643 CB LEU A 41 -2.477 3.011 -7.989 1.00 0.00 C ATOM 644 CG LEU A 41 -1.911 1.746 -8.641 1.00 0.00 C ATOM 645 CD1 LEU A 41 -2.723 0.525 -8.240 1.00 0.00 C ATOM 646 CD2 LEU A 41 -1.884 1.895 -10.155 1.00 0.00 C ATOM 0 H LEU A 41 -2.590 5.117 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.174 2.307 -6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.508 3.139 -8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.916 3.870 -8.356 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.889 1.607 -8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.304 -0.362 -8.714 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.692 0.407 -7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.757 0.654 -8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.479 0.987 -10.603 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.897 2.060 -10.522 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.257 2.744 -10.426 1.00 0.00 H new ATOM 658 N VAL A 42 -0.988 1.543 -5.213 1.00 0.00 N ATOM 659 CA VAL A 42 0.282 1.085 -4.660 1.00 0.00 C ATOM 660 C VAL A 42 0.463 -0.422 -4.836 1.00 0.00 C ATOM 661 O VAL A 42 -0.512 -1.173 -4.877 1.00 0.00 O ATOM 662 CB VAL A 42 0.383 1.427 -3.159 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.135 2.910 -2.928 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.596 0.590 -2.348 1.00 0.00 C ATOM 0 H VAL A 42 -1.787 0.953 -4.983 1.00 0.00 H new ATOM 0 HA VAL A 42 1.069 1.602 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 42 1.393 1.191 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.211 3.130 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.878 3.492 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.862 3.172 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.508 0.848 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.613 0.790 -2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.370 -0.468 -2.483 1.00 0.00 H new ATOM 674 N ARG A 43 1.717 -0.856 -4.945 1.00 0.00 N ATOM 675 CA ARG A 43 2.025 -2.274 -5.097 1.00 0.00 C ATOM 676 C ARG A 43 3.155 -2.673 -4.148 1.00 0.00 C ATOM 677 O ARG A 43 4.191 -2.011 -4.083 1.00 0.00 O ATOM 678 CB ARG A 43 2.385 -2.604 -6.558 1.00 0.00 C ATOM 679 CG ARG A 43 3.878 -2.628 -6.862 1.00 0.00 C ATOM 680 CD ARG A 43 4.477 -1.232 -6.877 1.00 0.00 C ATOM 681 NE ARG A 43 5.936 -1.267 -6.833 1.00 0.00 N ATOM 682 CZ ARG A 43 6.716 -1.024 -7.882 1.00 0.00 C ATOM 683 NH1 ARG A 43 6.180 -0.727 -9.058 1.00 0.00 N ATOM 684 NH2 ARG A 43 8.034 -1.079 -7.755 1.00 0.00 N ATOM 0 H ARG A 43 2.534 -0.246 -4.931 1.00 0.00 H new ATOM 0 HA ARG A 43 1.138 -2.852 -4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.962 -3.576 -6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.908 -1.871 -7.209 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.391 -3.235 -6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.044 -3.104 -7.828 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.153 -0.707 -7.776 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.101 -0.666 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 43 6.384 -1.491 -5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.166 -0.684 -9.160 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.782 -0.541 -9.860 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.450 -1.308 -6.852 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.632 -0.893 -8.560 1.00 0.00 H new ATOM 698 N THR A 44 2.944 -3.749 -3.398 1.00 0.00 N ATOM 699 CA THR A 44 3.945 -4.217 -2.448 1.00 0.00 C ATOM 700 C THR A 44 5.107 -4.901 -3.160 1.00 0.00 C ATOM 701 O THR A 44 4.983 -5.320 -4.311 1.00 0.00 O ATOM 702 CB THR A 44 3.340 -5.189 -1.420 1.00 0.00 C ATOM 703 OG1 THR A 44 3.021 -6.436 -2.051 1.00 0.00 O ATOM 704 CG2 THR A 44 2.085 -4.601 -0.793 1.00 0.00 C ATOM 0 H THR A 44 2.093 -4.311 -3.429 1.00 0.00 H new ATOM 0 HA THR A 44 4.314 -3.335 -1.924 1.00 0.00 H new ATOM 0 HB THR A 44 4.078 -5.356 -0.635 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.638 -7.049 -1.389 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.675 -5.306 -0.070 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.333 -3.667 -0.289 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.346 -4.408 -1.571 1.00 0.00 H new ATOM 712 N LYS A 45 6.235 -5.011 -2.465 1.00 0.00 N ATOM 713 CA LYS A 45 7.425 -5.638 -3.026 1.00 0.00 C ATOM 714 C LYS A 45 7.256 -7.158 -3.116 1.00 0.00 C ATOM 715 O LYS A 45 6.813 -7.792 -2.159 1.00 0.00 O ATOM 716 CB LYS A 45 8.648 -5.295 -2.174 1.00 0.00 C ATOM 717 CG LYS A 45 8.939 -3.804 -2.109 1.00 0.00 C ATOM 718 CD LYS A 45 10.029 -3.484 -1.095 1.00 0.00 C ATOM 719 CE LYS A 45 9.582 -3.797 0.325 1.00 0.00 C ATOM 720 NZ LYS A 45 8.298 -3.125 0.663 1.00 0.00 N ATOM 0 H LYS A 45 6.349 -4.673 -1.510 1.00 0.00 H new ATOM 0 HA LYS A 45 7.570 -5.252 -4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.495 -5.672 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.519 -5.811 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.244 -3.450 -3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.028 -3.267 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.925 -4.058 -1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.297 -2.430 -1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.469 -4.875 0.441 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.353 -3.480 1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.924 -3.517 1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.460 -2.104 0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.611 -3.284 -0.102 1.00 0.00 H new ATOM 734 N PRO A 46 7.608 -7.761 -4.269 1.00 0.00 N ATOM 735 CA PRO A 46 7.488 -9.208 -4.472 1.00 0.00 C ATOM 736 C PRO A 46 8.614 -9.992 -3.802 1.00 0.00 C ATOM 737 O PRO A 46 9.694 -9.458 -3.552 1.00 0.00 O ATOM 738 CB PRO A 46 7.572 -9.353 -5.989 1.00 0.00 C ATOM 739 CG PRO A 46 8.411 -8.206 -6.434 1.00 0.00 C ATOM 740 CD PRO A 46 8.142 -7.081 -5.469 1.00 0.00 C ATOM 0 HA PRO A 46 6.572 -9.605 -4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.021 -10.305 -6.271 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.583 -9.320 -6.445 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.467 -8.474 -6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.158 -7.912 -7.453 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.051 -6.524 -5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.425 -6.368 -5.876 1.00 0.00 H new ATOM 806 N PRO A 51 4.449 -12.821 -6.812 1.00 0.00 N ATOM 807 CA PRO A 51 4.354 -11.728 -7.788 1.00 0.00 C ATOM 808 C PRO A 51 3.918 -10.414 -7.145 1.00 0.00 C ATOM 809 O PRO A 51 3.335 -10.406 -6.061 1.00 0.00 O ATOM 810 CB PRO A 51 3.292 -12.222 -8.773 1.00 0.00 C ATOM 811 CG PRO A 51 2.490 -13.208 -7.999 1.00 0.00 C ATOM 812 CD PRO A 51 3.467 -13.887 -7.089 1.00 0.00 C ATOM 0 HA PRO A 51 5.316 -11.511 -8.253 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.671 -11.401 -9.131 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.748 -12.683 -9.649 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.702 -12.714 -7.431 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.005 -13.926 -8.660 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.989 -14.244 -6.177 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.931 -14.751 -7.565 1.00 0.00 H new ATOM 820 N SER A 52 4.208 -9.307 -7.821 1.00 0.00 N ATOM 821 CA SER A 52 3.850 -7.985 -7.317 1.00 0.00 C ATOM 822 C SER A 52 2.360 -7.713 -7.501 1.00 0.00 C ATOM 823 O SER A 52 1.838 -7.788 -8.613 1.00 0.00 O ATOM 824 CB SER A 52 4.667 -6.907 -8.033 1.00 0.00 C ATOM 825 OG SER A 52 6.056 -7.159 -7.922 1.00 0.00 O ATOM 0 H SER A 52 4.690 -9.299 -8.720 1.00 0.00 H new ATOM 0 HA SER A 52 4.075 -7.959 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.384 -6.871 -9.085 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.437 -5.930 -7.608 1.00 0.00 H new ATOM 0 HG SER A 52 6.554 -6.456 -8.389 1.00 0.00 H new ATOM 831 N ARG A 53 1.682 -7.397 -6.401 1.00 0.00 N ATOM 832 CA ARG A 53 0.252 -7.111 -6.441 1.00 0.00 C ATOM 833 C ARG A 53 -0.017 -5.640 -6.144 1.00 0.00 C ATOM 834 O ARG A 53 0.576 -5.063 -5.233 1.00 0.00 O ATOM 835 CB ARG A 53 -0.495 -7.987 -5.439 1.00 0.00 C ATOM 836 CG ARG A 53 -0.378 -9.473 -5.729 1.00 0.00 C ATOM 837 CD ARG A 53 -1.431 -10.266 -4.977 1.00 0.00 C ATOM 838 NE ARG A 53 -1.286 -11.705 -5.180 1.00 0.00 N ATOM 839 CZ ARG A 53 -1.937 -12.621 -4.469 1.00 0.00 C ATOM 840 NH1 ARG A 53 -2.780 -12.251 -3.515 1.00 0.00 N ATOM 841 NH2 ARG A 53 -1.745 -13.910 -4.713 1.00 0.00 N ATOM 0 H ARG A 53 2.100 -7.333 -5.473 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.107 -7.334 -7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.111 -7.789 -4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.548 -7.707 -5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.485 -9.646 -6.800 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.615 -9.824 -5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.361 -10.042 -3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.422 -9.952 -5.304 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.649 -12.026 -5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.931 -11.261 -3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.277 -12.957 -2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.098 -14.199 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.245 -14.612 -4.167 1.00 0.00 H new ATOM 855 N GLN A 54 -0.914 -5.041 -6.920 1.00 0.00 N ATOM 856 CA GLN A 54 -1.264 -3.636 -6.741 1.00 0.00 C ATOM 857 C GLN A 54 -2.749 -3.482 -6.427 1.00 0.00 C ATOM 858 O GLN A 54 -3.602 -4.033 -7.123 1.00 0.00 O ATOM 859 CB GLN A 54 -0.906 -2.837 -7.997 1.00 0.00 C ATOM 860 CG GLN A 54 -1.511 -3.403 -9.272 1.00 0.00 C ATOM 861 CD GLN A 54 -1.177 -2.572 -10.496 1.00 0.00 C ATOM 862 OE1 GLN A 54 -0.130 -1.930 -10.558 1.00 0.00 O ATOM 863 NE2 GLN A 54 -2.070 -2.584 -11.479 1.00 0.00 N ATOM 0 H GLN A 54 -1.412 -5.506 -7.679 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.693 -3.247 -5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.242 -1.808 -7.871 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.179 -2.807 -8.102 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.151 -4.421 -9.420 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.594 -3.461 -9.161 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.925 -3.131 -11.384 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.900 -2.046 -12.329 1.00 0.00 H new ATOM 872 N GLY A 55 -3.050 -2.731 -5.371 1.00 0.00 N ATOM 873 CA GLY A 55 -4.432 -2.518 -4.982 1.00 0.00 C ATOM 874 C GLY A 55 -4.659 -1.151 -4.368 1.00 0.00 C ATOM 875 O GLY A 55 -3.807 -0.640 -3.640 1.00 0.00 O ATOM 0 H GLY A 55 -2.362 -2.267 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.073 -2.631 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.728 -3.287 -4.268 1.00 0.00 H new ATOM 879 N TRP A 56 -5.812 -0.557 -4.662 1.00 0.00 N ATOM 880 CA TRP A 56 -6.151 0.761 -4.137 1.00 0.00 C ATOM 881 C TRP A 56 -6.582 0.670 -2.675 1.00 0.00 C ATOM 882 O TRP A 56 -7.559 -0.004 -2.347 1.00 0.00 O ATOM 883 CB TRP A 56 -7.270 1.392 -4.969 1.00 0.00 C ATOM 884 CG TRP A 56 -6.970 1.438 -6.438 1.00 0.00 C ATOM 885 CD1 TRP A 56 -7.034 0.398 -7.321 1.00 0.00 C ATOM 886 CD2 TRP A 56 -6.565 2.584 -7.195 1.00 0.00 C ATOM 887 NE1 TRP A 56 -6.689 0.827 -8.579 1.00 0.00 N ATOM 888 CE2 TRP A 56 -6.398 2.165 -8.528 1.00 0.00 C ATOM 889 CE3 TRP A 56 -6.325 3.924 -6.877 1.00 0.00 C ATOM 890 CZ2 TRP A 56 -6.004 3.037 -9.541 1.00 0.00 C ATOM 891 CZ3 TRP A 56 -5.934 4.789 -7.882 1.00 0.00 C ATOM 892 CH2 TRP A 56 -5.777 4.342 -9.200 1.00 0.00 C ATOM 0 H TRP A 56 -6.527 -0.968 -5.261 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.262 1.388 -4.198 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.190 0.830 -4.812 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -7.451 2.406 -4.611 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -7.315 -0.613 -7.067 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -6.655 0.244 -9.415 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.443 4.277 -5.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.882 2.695 -10.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.747 5.826 -7.647 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -5.470 5.042 -9.963 1.00 0.00 H new ATOM 903 N VAL A 57 -5.845 1.351 -1.803 1.00 0.00 N ATOM 904 CA VAL A 57 -6.151 1.351 -0.377 1.00 0.00 C ATOM 905 C VAL A 57 -6.239 2.773 0.166 1.00 0.00 C ATOM 906 O VAL A 57 -5.875 3.732 -0.516 1.00 0.00 O ATOM 907 CB VAL A 57 -5.091 0.572 0.427 1.00 0.00 C ATOM 908 CG1 VAL A 57 -5.118 -0.904 0.059 1.00 0.00 C ATOM 909 CG2 VAL A 57 -3.707 1.160 0.198 1.00 0.00 C ATOM 0 H VAL A 57 -5.031 1.910 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.117 0.859 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.328 0.663 1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.363 -1.437 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.102 -1.316 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.908 -1.018 -1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.973 0.597 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.458 1.103 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.697 2.202 0.518 1.00 0.00 H new ATOM 919 N SER A 58 -6.725 2.902 1.397 1.00 0.00 N ATOM 920 CA SER A 58 -6.862 4.208 2.034 1.00 0.00 C ATOM 921 C SER A 58 -5.547 4.633 2.691 1.00 0.00 C ATOM 922 O SER A 58 -5.116 4.022 3.669 1.00 0.00 O ATOM 923 CB SER A 58 -7.977 4.172 3.080 1.00 0.00 C ATOM 924 OG SER A 58 -9.221 3.837 2.490 1.00 0.00 O ATOM 0 H SER A 58 -7.031 2.118 1.973 1.00 0.00 H new ATOM 0 HA SER A 58 -7.117 4.936 1.264 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.731 3.445 3.853 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.053 5.143 3.568 1.00 0.00 H new ATOM 0 HG SER A 58 -9.916 3.819 3.180 1.00 0.00 H new ATOM 930 N PRO A 59 -4.888 5.686 2.164 1.00 0.00 N ATOM 931 CA PRO A 59 -3.621 6.175 2.719 1.00 0.00 C ATOM 932 C PRO A 59 -3.808 6.900 4.048 1.00 0.00 C ATOM 933 O PRO A 59 -2.841 7.357 4.658 1.00 0.00 O ATOM 934 CB PRO A 59 -3.117 7.142 1.648 1.00 0.00 C ATOM 935 CG PRO A 59 -4.350 7.632 0.975 1.00 0.00 C ATOM 936 CD PRO A 59 -5.318 6.480 0.994 1.00 0.00 C ATOM 0 HA PRO A 59 -2.931 5.360 2.937 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.553 7.964 2.089 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.453 6.642 0.943 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.762 8.496 1.496 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.138 7.947 -0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.347 6.823 1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.267 5.898 0.074 1.00 0.00 H new ATOM 944 N ALA A 60 -5.058 7.005 4.491 1.00 0.00 N ATOM 945 CA ALA A 60 -5.371 7.677 5.747 1.00 0.00 C ATOM 946 C ALA A 60 -4.791 6.917 6.936 1.00 0.00 C ATOM 947 O ALA A 60 -4.457 7.511 7.962 1.00 0.00 O ATOM 948 CB ALA A 60 -6.876 7.832 5.902 1.00 0.00 C ATOM 0 H ALA A 60 -5.870 6.633 3.998 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.915 8.667 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.095 8.335 6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.268 8.424 5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.345 6.848 5.899 1.00 0.00 H new ATOM 954 N TYR A 61 -4.678 5.601 6.790 1.00 0.00 N ATOM 955 CA TYR A 61 -4.136 4.757 7.849 1.00 0.00 C ATOM 956 C TYR A 61 -2.663 4.451 7.592 1.00 0.00 C ATOM 957 O TYR A 61 -2.082 3.567 8.222 1.00 0.00 O ATOM 958 CB TYR A 61 -4.933 3.454 7.946 1.00 0.00 C ATOM 959 CG TYR A 61 -6.413 3.662 8.179 1.00 0.00 C ATOM 960 CD1 TYR A 61 -6.906 3.914 9.453 1.00 0.00 C ATOM 961 CD2 TYR A 61 -7.317 3.606 7.125 1.00 0.00 C ATOM 962 CE1 TYR A 61 -8.258 4.104 9.670 1.00 0.00 C ATOM 963 CE2 TYR A 61 -8.669 3.796 7.334 1.00 0.00 C ATOM 964 CZ TYR A 61 -9.134 4.043 8.607 1.00 0.00 C ATOM 965 OH TYR A 61 -10.480 4.230 8.819 1.00 0.00 O ATOM 0 H TYR A 61 -4.955 5.096 5.948 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.219 5.295 8.793 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.795 2.885 7.026 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.528 2.850 8.758 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.222 3.962 10.287 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.956 3.411 6.126 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.626 4.299 10.666 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.358 3.751 6.504 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.959 4.157 7.967 1.00 0.00 H new ATOM 975 N LEU A 62 -2.068 5.195 6.665 1.00 0.00 N ATOM 976 CA LEU A 62 -0.664 5.010 6.312 1.00 0.00 C ATOM 977 C LEU A 62 0.198 6.135 6.878 1.00 0.00 C ATOM 978 O LEU A 62 -0.315 7.169 7.308 1.00 0.00 O ATOM 979 CB LEU A 62 -0.509 4.947 4.789 1.00 0.00 C ATOM 980 CG LEU A 62 -0.560 3.540 4.178 1.00 0.00 C ATOM 981 CD1 LEU A 62 -1.717 2.736 4.754 1.00 0.00 C ATOM 982 CD2 LEU A 62 -0.681 3.627 2.664 1.00 0.00 C ATOM 0 H LEU A 62 -2.538 5.934 6.143 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.326 4.070 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.296 5.550 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.441 5.408 4.518 1.00 0.00 H new ATOM 0 HG LEU A 62 0.368 3.027 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.730 1.743 4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.594 2.644 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.657 3.245 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.716 2.622 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.594 4.162 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.180 4.159 2.260 1.00 0.00 H new ATOM 994 N ASP A 63 1.512 5.922 6.876 1.00 0.00 N ATOM 995 CA ASP A 63 2.451 6.916 7.386 1.00 0.00 C ATOM 996 C ASP A 63 3.454 7.318 6.309 1.00 0.00 C ATOM 997 O ASP A 63 3.930 6.480 5.544 1.00 0.00 O ATOM 998 CB ASP A 63 3.189 6.370 8.610 1.00 0.00 C ATOM 999 CG ASP A 63 2.250 6.067 9.761 1.00 0.00 C ATOM 1000 OD1 ASP A 63 1.718 4.938 9.812 1.00 0.00 O ATOM 1001 OD2 ASP A 63 2.045 6.959 10.611 1.00 0.00 O ATOM 0 H ASP A 63 1.950 5.070 6.527 1.00 0.00 H new ATOM 0 HA ASP A 63 1.884 7.800 7.678 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.725 5.462 8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.936 7.095 8.934 1.00 0.00 H new ATOM 1006 N ARG A 64 3.774 8.606 6.261 1.00 0.00 N ATOM 1007 CA ARG A 64 4.716 9.127 5.277 1.00 0.00 C ATOM 1008 C ARG A 64 6.159 8.877 5.705 1.00 0.00 C ATOM 1009 O ARG A 64 6.603 9.364 6.745 1.00 0.00 O ATOM 1010 CB ARG A 64 4.485 10.625 5.068 1.00 0.00 C ATOM 1011 CG ARG A 64 5.422 11.252 4.049 1.00 0.00 C ATOM 1012 CD ARG A 64 5.133 12.734 3.868 1.00 0.00 C ATOM 1013 NE ARG A 64 5.270 13.475 5.120 1.00 0.00 N ATOM 1014 CZ ARG A 64 4.561 14.559 5.418 1.00 0.00 C ATOM 1015 NH1 ARG A 64 3.672 15.033 4.555 1.00 0.00 N ATOM 1016 NH2 ARG A 64 4.740 15.171 6.581 1.00 0.00 N ATOM 0 H ARG A 64 3.394 9.310 6.893 1.00 0.00 H new ATOM 0 HA ARG A 64 4.545 8.601 4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.455 10.783 4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.604 11.138 6.022 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.455 11.118 4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.317 10.740 3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.815 13.148 3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.122 12.862 3.480 1.00 0.00 H new ATOM 0 HE ARG A 64 5.949 13.141 5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.531 14.565 3.660 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.130 15.865 4.787 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.422 14.810 7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.195 16.003 6.809 1.00 0.00 H new ATOM 1030 N ARG A 65 6.886 8.113 4.894 1.00 0.00 N ATOM 1031 CA ARG A 65 8.283 7.800 5.178 1.00 0.00 C ATOM 1032 C ARG A 65 9.128 7.925 3.914 1.00 0.00 C ATOM 1033 O ARG A 65 8.641 7.700 2.806 1.00 0.00 O ATOM 1034 CB ARG A 65 8.411 6.390 5.756 1.00 0.00 C ATOM 1035 CG ARG A 65 7.622 6.186 7.040 1.00 0.00 C ATOM 1036 CD ARG A 65 7.960 4.857 7.698 1.00 0.00 C ATOM 1037 NE ARG A 65 9.340 4.820 8.175 1.00 0.00 N ATOM 1038 CZ ARG A 65 9.859 3.802 8.856 1.00 0.00 C ATOM 1039 NH1 ARG A 65 9.117 2.738 9.136 1.00 0.00 N ATOM 1040 NH2 ARG A 65 11.122 3.847 9.258 1.00 0.00 N ATOM 0 H ARG A 65 6.529 7.698 4.033 1.00 0.00 H new ATOM 0 HA ARG A 65 8.648 8.515 5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.072 5.669 5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.463 6.179 5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.835 7.000 7.732 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.555 6.224 6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.282 4.683 8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.801 4.048 6.985 1.00 0.00 H new ATOM 0 HE ARG A 65 9.940 5.620 7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.145 2.699 8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.519 1.959 9.658 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.696 4.663 9.045 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.519 3.066 9.780 1.00 0.00 H new ATOM 1054 N LEU A 66 10.396 8.288 4.085 1.00 0.00 N ATOM 1055 CA LEU A 66 11.306 8.448 2.955 1.00 0.00 C ATOM 1056 C LEU A 66 12.385 7.371 2.958 1.00 0.00 C ATOM 1057 O LEU A 66 12.852 6.948 4.017 1.00 0.00 O ATOM 1058 CB LEU A 66 11.954 9.834 2.987 1.00 0.00 C ATOM 1059 CG LEU A 66 10.979 11.008 2.896 1.00 0.00 C ATOM 1060 CD1 LEU A 66 11.720 12.328 3.041 1.00 0.00 C ATOM 1061 CD2 LEU A 66 10.215 10.967 1.579 1.00 0.00 C ATOM 0 H LEU A 66 10.817 8.477 4.995 1.00 0.00 H new ATOM 0 HA LEU A 66 10.723 8.345 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.527 9.929 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.663 9.906 2.162 1.00 0.00 H new ATOM 0 HG LEU A 66 10.262 10.924 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.011 13.153 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.222 12.359 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.459 12.420 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.526 11.810 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.918 11.026 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.653 10.035 1.513 1.00 0.00 H new