USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 389 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 1 ALA N :NH3+ 150:sc= 0.0292 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 156:sc= 1.45 USER MOD Single : A 10 TYR OH : rot 30:sc= -1.7! USER MOD Single : A 12 TYR OH : rot 152:sc= 0.517 USER MOD Single : A 21 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -85:sc= -1.99 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -48:sc= 1.01 USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= 1.08 (180deg=0.0917) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.331 -8.385 -3.857 1.00 0.00 N ATOM 2 CA ALA A 1 3.352 -7.322 -3.629 1.00 0.00 C ATOM 3 C ALA A 1 2.831 -6.294 -2.619 1.00 0.00 C ATOM 4 O ALA A 1 1.638 -6.146 -2.434 1.00 0.00 O ATOM 5 CB ALA A 1 3.559 -6.671 -4.998 1.00 0.00 C ATOM 0 H1 ALA A 1 2.424 -8.753 -4.825 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.477 -9.158 -3.177 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.379 -7.986 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 1 4.281 -7.723 -3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.299 -5.875 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.910 -7.420 -5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.615 -6.253 -5.349 1.00 0.00 H new ATOM 13 N LYS A 2 3.720 -5.589 -1.967 1.00 0.00 N ATOM 14 CA LYS A 2 3.287 -4.571 -0.965 1.00 0.00 C ATOM 15 C LYS A 2 2.856 -3.276 -1.667 1.00 0.00 C ATOM 16 O LYS A 2 2.982 -3.142 -2.872 1.00 0.00 O ATOM 17 CB LYS A 2 4.520 -4.341 -0.078 1.00 0.00 C ATOM 18 CG LYS A 2 5.660 -3.713 -0.893 1.00 0.00 C ATOM 19 CD LYS A 2 7.004 -4.241 -0.386 1.00 0.00 C ATOM 20 CE LYS A 2 7.440 -5.434 -1.237 1.00 0.00 C ATOM 21 NZ LYS A 2 8.557 -6.059 -0.476 1.00 0.00 N ATOM 0 H LYS A 2 4.729 -5.675 -2.086 1.00 0.00 H new ATOM 0 HA LYS A 2 2.427 -4.901 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.259 -3.689 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.850 -5.288 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.539 -3.951 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.628 -2.627 -0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.756 -3.454 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.918 -4.539 0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.619 -6.136 -1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.766 -5.115 -2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.911 -6.887 -0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.326 -5.369 -0.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.215 -6.358 0.459 1.00 0.00 H new ATOM 35 N TRP A 3 2.363 -2.321 -0.921 1.00 0.00 N ATOM 36 CA TRP A 3 1.936 -1.024 -1.535 1.00 0.00 C ATOM 37 C TRP A 3 2.330 0.103 -0.593 1.00 0.00 C ATOM 38 O TRP A 3 1.974 0.081 0.569 1.00 0.00 O ATOM 39 CB TRP A 3 0.415 -1.100 -1.660 1.00 0.00 C ATOM 40 CG TRP A 3 0.033 -1.771 -2.937 1.00 0.00 C ATOM 41 CD1 TRP A 3 0.188 -3.086 -3.217 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.582 -1.173 -4.105 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.282 -3.325 -4.497 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.768 -2.173 -5.085 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.985 0.136 -4.401 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.337 -1.882 -6.325 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.561 0.437 -5.647 1.00 0.00 C ATOM 48 CH2 TRP A 3 -1.736 -0.571 -6.608 1.00 0.00 C ATOM 0 H TRP A 3 2.237 -2.382 0.089 1.00 0.00 H new ATOM 0 HA TRP A 3 2.398 -0.845 -2.506 1.00 0.00 H new ATOM 0 HB2 TRP A 3 0.001 -1.649 -0.815 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.010 -0.097 -1.627 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.609 -3.826 -2.552 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.271 -4.239 -4.950 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.852 0.918 -3.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.468 -2.662 -7.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -1.870 1.448 -5.866 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -2.178 -0.335 -7.565 1.00 0.00 H new ATOM 59 N VAL A 4 3.077 1.072 -1.060 1.00 0.00 N ATOM 60 CA VAL A 4 3.506 2.165 -0.139 1.00 0.00 C ATOM 61 C VAL A 4 3.022 3.541 -0.579 1.00 0.00 C ATOM 62 O VAL A 4 2.919 3.845 -1.753 1.00 0.00 O ATOM 63 CB VAL A 4 5.039 2.097 -0.127 1.00 0.00 C ATOM 64 CG1 VAL A 4 5.583 2.355 -1.534 1.00 0.00 C ATOM 65 CG2 VAL A 4 5.597 3.150 0.841 1.00 0.00 C ATOM 0 H VAL A 4 3.403 1.153 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 4 3.072 2.026 0.851 1.00 0.00 H new ATOM 0 HB VAL A 4 5.348 1.104 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.672 2.305 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.195 1.600 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.270 3.344 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.686 3.098 0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.282 4.143 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.219 2.957 1.845 1.00 0.00 H new ATOM 75 N LEU A 5 2.754 4.382 0.387 1.00 0.00 N ATOM 76 CA LEU A 5 2.305 5.767 0.082 1.00 0.00 C ATOM 77 C LEU A 5 3.475 6.735 0.305 1.00 0.00 C ATOM 78 O LEU A 5 4.010 6.828 1.392 1.00 0.00 O ATOM 79 CB LEU A 5 1.176 6.045 1.075 1.00 0.00 C ATOM 80 CG LEU A 5 0.123 6.934 0.411 1.00 0.00 C ATOM 81 CD1 LEU A 5 -1.070 7.109 1.343 1.00 0.00 C ATOM 82 CD2 LEU A 5 0.732 8.301 0.109 1.00 0.00 C ATOM 0 H LEU A 5 2.829 4.163 1.381 1.00 0.00 H new ATOM 0 HA LEU A 5 1.969 5.889 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.724 5.108 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.572 6.534 1.965 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.210 6.465 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.816 7.743 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.508 6.135 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.741 7.575 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.017 8.936 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.066 8.764 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.582 8.180 -0.562 1.00 0.00 H new ATOM 94 N LYS A 6 3.885 7.439 -0.718 1.00 0.00 N ATOM 95 CA LYS A 6 5.038 8.388 -0.571 1.00 0.00 C ATOM 96 C LYS A 6 4.766 9.422 0.529 1.00 0.00 C ATOM 97 O LYS A 6 5.655 9.795 1.271 1.00 0.00 O ATOM 98 CB LYS A 6 5.161 9.081 -1.929 1.00 0.00 C ATOM 99 CG LYS A 6 5.730 8.099 -2.955 1.00 0.00 C ATOM 100 CD LYS A 6 7.258 8.106 -2.876 1.00 0.00 C ATOM 101 CE LYS A 6 7.794 6.714 -3.211 1.00 0.00 C ATOM 102 NZ LYS A 6 9.009 6.558 -2.364 1.00 0.00 N ATOM 0 H LYS A 6 3.474 7.400 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 6 5.952 7.866 -0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.185 9.439 -2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.810 9.953 -1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.350 7.096 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.406 8.376 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.665 8.841 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.579 8.400 -1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.056 5.943 -2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.037 6.628 -4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.435 5.625 -2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.696 7.302 -2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.746 6.638 -1.361 1.00 0.00 H new ATOM 116 N ILE A 7 3.552 9.895 0.625 1.00 0.00 N ATOM 117 CA ILE A 7 3.217 10.921 1.664 1.00 0.00 C ATOM 118 C ILE A 7 3.374 10.347 3.081 1.00 0.00 C ATOM 119 O ILE A 7 4.004 10.951 3.930 1.00 0.00 O ATOM 120 CB ILE A 7 1.758 11.311 1.393 1.00 0.00 C ATOM 121 CG1 ILE A 7 1.636 11.899 -0.017 1.00 0.00 C ATOM 122 CG2 ILE A 7 1.301 12.361 2.410 1.00 0.00 C ATOM 123 CD1 ILE A 7 0.160 11.970 -0.413 1.00 0.00 C ATOM 0 H ILE A 7 2.773 9.616 0.028 1.00 0.00 H new ATOM 0 HA ILE A 7 3.885 11.780 1.609 1.00 0.00 H new ATOM 0 HB ILE A 7 1.133 10.422 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.080 12.894 -0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.185 11.283 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.264 12.633 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.382 11.952 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.931 13.247 2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.072 12.388 -1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.269 10.968 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.376 12.604 0.293 1.00 0.00 H new ATOM 135 N THR A 8 2.794 9.202 3.351 1.00 0.00 N ATOM 136 CA THR A 8 2.899 8.614 4.728 1.00 0.00 C ATOM 137 C THR A 8 3.948 7.497 4.759 1.00 0.00 C ATOM 138 O THR A 8 4.891 7.545 5.527 1.00 0.00 O ATOM 139 CB THR A 8 1.509 8.041 5.061 1.00 0.00 C ATOM 140 OG1 THR A 8 1.289 6.864 4.303 1.00 0.00 O ATOM 141 CG2 THR A 8 0.407 9.055 4.742 1.00 0.00 C ATOM 0 H THR A 8 2.255 8.651 2.683 1.00 0.00 H new ATOM 0 HA THR A 8 3.206 9.368 5.452 1.00 0.00 H new ATOM 0 HB THR A 8 1.478 7.815 6.127 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.633 6.298 4.761 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.565 8.625 4.986 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.563 9.959 5.331 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.437 9.304 3.681 1.00 0.00 H new ATOM 149 N GLY A 9 3.787 6.494 3.934 1.00 0.00 N ATOM 150 CA GLY A 9 4.764 5.371 3.914 1.00 0.00 C ATOM 151 C GLY A 9 4.077 4.072 4.346 1.00 0.00 C ATOM 152 O GLY A 9 4.722 3.161 4.832 1.00 0.00 O ATOM 0 H GLY A 9 3.016 6.407 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.179 5.257 2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.597 5.591 4.581 1.00 0.00 H new ATOM 156 N TYR A 10 2.776 3.964 4.163 1.00 0.00 N ATOM 157 CA TYR A 10 2.067 2.703 4.559 1.00 0.00 C ATOM 158 C TYR A 10 2.642 1.525 3.776 1.00 0.00 C ATOM 159 O TYR A 10 3.375 1.719 2.835 1.00 0.00 O ATOM 160 CB TYR A 10 0.619 2.877 4.119 1.00 0.00 C ATOM 161 CG TYR A 10 -0.007 4.123 4.683 1.00 0.00 C ATOM 162 CD1 TYR A 10 0.057 4.424 6.047 1.00 0.00 C ATOM 163 CD2 TYR A 10 -0.699 4.956 3.815 1.00 0.00 C ATOM 164 CE1 TYR A 10 -0.573 5.581 6.531 1.00 0.00 C ATOM 165 CE2 TYR A 10 -1.335 6.100 4.284 1.00 0.00 C ATOM 166 CZ TYR A 10 -1.272 6.420 5.648 1.00 0.00 C ATOM 167 OH TYR A 10 -1.901 7.553 6.123 1.00 0.00 O ATOM 0 H TYR A 10 2.182 4.689 3.760 1.00 0.00 H new ATOM 0 HA TYR A 10 2.169 2.519 5.629 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.575 2.912 3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.040 2.009 4.433 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.588 3.771 6.724 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.744 4.713 2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.520 5.826 7.582 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.875 6.739 3.601 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.416 7.893 6.904 1.00 0.00 H new ATOM 177 N ILE A 11 2.277 0.316 4.136 1.00 0.00 N ATOM 178 CA ILE A 11 2.758 -0.892 3.385 1.00 0.00 C ATOM 179 C ILE A 11 1.673 -1.979 3.423 1.00 0.00 C ATOM 180 O ILE A 11 1.662 -2.809 4.317 1.00 0.00 O ATOM 181 CB ILE A 11 3.997 -1.424 4.115 1.00 0.00 C ATOM 182 CG1 ILE A 11 5.031 -0.308 4.372 1.00 0.00 C ATOM 183 CG2 ILE A 11 4.634 -2.541 3.277 1.00 0.00 C ATOM 184 CD1 ILE A 11 5.599 0.220 3.046 1.00 0.00 C ATOM 0 H ILE A 11 1.662 0.112 4.924 1.00 0.00 H new ATOM 0 HA ILE A 11 2.984 -0.634 2.350 1.00 0.00 H new ATOM 0 HB ILE A 11 3.683 -1.812 5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.564 0.508 4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.840 -0.691 4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.516 -2.924 3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.915 -3.349 3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.924 -2.145 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.326 1.006 3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.085 -0.594 2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.789 0.623 2.438 1.00 0.00 H new ATOM 196 N TYR A 12 0.770 -2.002 2.472 1.00 0.00 N ATOM 197 CA TYR A 12 -0.288 -3.062 2.486 1.00 0.00 C ATOM 198 C TYR A 12 0.305 -4.358 1.929 1.00 0.00 C ATOM 199 O TYR A 12 0.609 -4.457 0.755 1.00 0.00 O ATOM 200 CB TYR A 12 -1.432 -2.535 1.596 1.00 0.00 C ATOM 201 CG TYR A 12 -2.429 -3.644 1.282 1.00 0.00 C ATOM 202 CD1 TYR A 12 -3.339 -4.070 2.259 1.00 0.00 C ATOM 203 CD2 TYR A 12 -2.437 -4.246 0.013 1.00 0.00 C ATOM 204 CE1 TYR A 12 -4.253 -5.092 1.968 1.00 0.00 C ATOM 205 CE2 TYR A 12 -3.354 -5.271 -0.274 1.00 0.00 C ATOM 206 CZ TYR A 12 -4.259 -5.690 0.706 1.00 0.00 C ATOM 207 OH TYR A 12 -5.162 -6.695 0.430 1.00 0.00 O ATOM 0 H TYR A 12 0.719 -1.342 1.696 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.659 -3.276 3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.942 -1.714 2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.022 -2.135 0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.336 -3.611 3.236 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.738 -3.921 -0.743 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.954 -5.418 2.722 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.360 -5.734 -1.250 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.362 -6.700 -0.529 1.00 0.00 H new ATOM 217 N ASP A 13 0.461 -5.349 2.766 1.00 0.00 N ATOM 218 CA ASP A 13 1.026 -6.644 2.294 1.00 0.00 C ATOM 219 C ASP A 13 -0.068 -7.445 1.589 1.00 0.00 C ATOM 220 O ASP A 13 -0.728 -8.279 2.177 1.00 0.00 O ATOM 221 CB ASP A 13 1.515 -7.366 3.559 1.00 0.00 C ATOM 222 CG ASP A 13 0.366 -7.561 4.562 1.00 0.00 C ATOM 223 OD1 ASP A 13 -0.710 -7.031 4.330 1.00 0.00 O ATOM 224 OD2 ASP A 13 0.585 -8.241 5.550 1.00 0.00 O ATOM 0 H ASP A 13 0.221 -5.316 3.757 1.00 0.00 H new ATOM 0 HA ASP A 13 1.841 -6.513 1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.935 -8.335 3.289 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.315 -6.790 4.024 1.00 0.00 H new ATOM 229 N GLU A 14 -0.265 -7.183 0.320 1.00 0.00 N ATOM 230 CA GLU A 14 -1.322 -7.909 -0.454 1.00 0.00 C ATOM 231 C GLU A 14 -1.148 -9.429 -0.324 1.00 0.00 C ATOM 232 O GLU A 14 -2.091 -10.178 -0.494 1.00 0.00 O ATOM 233 CB GLU A 14 -1.140 -7.460 -1.907 1.00 0.00 C ATOM 234 CG GLU A 14 -2.284 -8.006 -2.754 1.00 0.00 C ATOM 235 CD GLU A 14 -1.762 -8.389 -4.141 1.00 0.00 C ATOM 236 OE1 GLU A 14 -0.894 -7.692 -4.639 1.00 0.00 O ATOM 237 OE2 GLU A 14 -2.240 -9.374 -4.681 1.00 0.00 O ATOM 0 H GLU A 14 0.263 -6.494 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.322 -7.683 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.119 -6.372 -1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.185 -7.817 -2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.726 -8.876 -2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.071 -7.258 -2.845 1.00 0.00 H new ATOM 244 N ASP A 15 0.039 -9.888 0.001 1.00 0.00 N ATOM 245 CA ASP A 15 0.250 -11.358 0.169 1.00 0.00 C ATOM 246 C ASP A 15 -0.604 -11.851 1.341 1.00 0.00 C ATOM 247 O ASP A 15 -1.084 -12.967 1.351 1.00 0.00 O ATOM 248 CB ASP A 15 1.739 -11.524 0.480 1.00 0.00 C ATOM 249 CG ASP A 15 2.182 -12.943 0.119 1.00 0.00 C ATOM 250 OD1 ASP A 15 2.267 -13.233 -1.063 1.00 0.00 O ATOM 251 OD2 ASP A 15 2.431 -13.715 1.031 1.00 0.00 O ATOM 0 H ASP A 15 0.865 -9.310 0.156 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.033 -11.929 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.322 -10.795 -0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.924 -11.332 1.537 1.00 0.00 H new ATOM 256 N ALA A 16 -0.804 -11.004 2.318 1.00 0.00 N ATOM 257 CA ALA A 16 -1.638 -11.379 3.496 1.00 0.00 C ATOM 258 C ALA A 16 -2.957 -10.609 3.447 1.00 0.00 C ATOM 259 O ALA A 16 -4.028 -11.181 3.509 1.00 0.00 O ATOM 260 CB ALA A 16 -0.824 -10.945 4.717 1.00 0.00 C ATOM 0 H ALA A 16 -0.420 -10.059 2.349 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.872 -12.443 3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.374 -11.188 5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.133 -11.467 4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.650 -9.870 4.675 1.00 0.00 H new ATOM 266 N GLY A 17 -2.873 -9.309 3.340 1.00 0.00 N ATOM 267 CA GLY A 17 -4.102 -8.474 3.288 1.00 0.00 C ATOM 268 C GLY A 17 -3.988 -7.335 4.300 1.00 0.00 C ATOM 269 O GLY A 17 -3.227 -6.406 4.119 1.00 0.00 O ATOM 0 H GLY A 17 -1.997 -8.789 3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.238 -8.071 2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.978 -9.084 3.508 1.00 0.00 H new ATOM 273 N ASP A 18 -4.744 -7.401 5.370 1.00 0.00 N ATOM 274 CA ASP A 18 -4.708 -6.327 6.419 1.00 0.00 C ATOM 275 C ASP A 18 -5.827 -6.579 7.442 1.00 0.00 C ATOM 276 O ASP A 18 -6.951 -6.170 7.229 1.00 0.00 O ATOM 277 CB ASP A 18 -4.960 -4.991 5.692 1.00 0.00 C ATOM 278 CG ASP A 18 -3.699 -4.122 5.744 1.00 0.00 C ATOM 279 OD1 ASP A 18 -2.615 -4.682 5.802 1.00 0.00 O ATOM 280 OD2 ASP A 18 -3.839 -2.910 5.725 1.00 0.00 O ATOM 0 H ASP A 18 -5.394 -8.163 5.565 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.753 -6.314 6.945 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.240 -5.178 4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.794 -4.465 6.158 1.00 0.00 H new ATOM 285 N PRO A 19 -5.491 -7.237 8.526 1.00 0.00 N ATOM 286 CA PRO A 19 -6.504 -7.523 9.575 1.00 0.00 C ATOM 287 C PRO A 19 -6.999 -6.226 10.236 1.00 0.00 C ATOM 288 O PRO A 19 -7.991 -6.229 10.941 1.00 0.00 O ATOM 289 CB PRO A 19 -5.752 -8.411 10.567 1.00 0.00 C ATOM 290 CG PRO A 19 -4.311 -8.085 10.350 1.00 0.00 C ATOM 291 CD PRO A 19 -4.170 -7.771 8.885 1.00 0.00 C ATOM 0 HA PRO A 19 -7.401 -8.002 9.182 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.055 -8.203 11.593 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.951 -9.467 10.383 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.007 -7.235 10.962 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.675 -8.924 10.632 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.379 -7.043 8.704 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.924 -8.660 8.305 1.00 0.00 H new ATOM 299 N ASP A 20 -6.328 -5.119 10.009 1.00 0.00 N ATOM 300 CA ASP A 20 -6.776 -3.828 10.619 1.00 0.00 C ATOM 301 C ASP A 20 -7.970 -3.265 9.842 1.00 0.00 C ATOM 302 O ASP A 20 -8.945 -2.824 10.422 1.00 0.00 O ATOM 303 CB ASP A 20 -5.573 -2.891 10.503 1.00 0.00 C ATOM 304 CG ASP A 20 -4.515 -3.287 11.534 1.00 0.00 C ATOM 305 OD1 ASP A 20 -4.750 -3.062 12.710 1.00 0.00 O ATOM 306 OD2 ASP A 20 -3.488 -3.807 11.131 1.00 0.00 O ATOM 0 H ASP A 20 -5.492 -5.056 9.429 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.096 -3.951 11.654 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.154 -2.943 9.498 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.885 -1.859 10.665 1.00 0.00 H new ATOM 311 N ASN A 21 -7.902 -3.280 8.533 1.00 0.00 N ATOM 312 CA ASN A 21 -9.031 -2.749 7.711 1.00 0.00 C ATOM 313 C ASN A 21 -10.027 -3.869 7.372 1.00 0.00 C ATOM 314 O ASN A 21 -10.848 -3.726 6.487 1.00 0.00 O ATOM 315 CB ASN A 21 -8.376 -2.212 6.434 1.00 0.00 C ATOM 316 CG ASN A 21 -7.911 -0.773 6.667 1.00 0.00 C ATOM 317 OD1 ASN A 21 -8.416 0.148 6.055 1.00 0.00 O ATOM 318 ND2 ASN A 21 -6.961 -0.539 7.532 1.00 0.00 N ATOM 0 H ASN A 21 -7.111 -3.638 7.998 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.592 -1.979 8.240 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.529 -2.839 6.155 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.084 -2.247 5.606 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.643 0.416 7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.537 -1.312 8.046 1.00 0.00 H new ATOM 325 N GLY A 22 -9.963 -4.986 8.068 1.00 0.00 N ATOM 326 CA GLY A 22 -10.906 -6.113 7.784 1.00 0.00 C ATOM 327 C GLY A 22 -10.788 -6.527 6.316 1.00 0.00 C ATOM 328 O GLY A 22 -11.773 -6.805 5.659 1.00 0.00 O ATOM 0 H GLY A 22 -9.297 -5.162 8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.679 -6.961 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.929 -5.808 8.005 1.00 0.00 H new ATOM 332 N ILE A 23 -9.587 -6.557 5.799 1.00 0.00 N ATOM 333 CA ILE A 23 -9.390 -6.939 4.367 1.00 0.00 C ATOM 334 C ILE A 23 -9.393 -8.460 4.217 1.00 0.00 C ATOM 335 O ILE A 23 -9.199 -9.191 5.170 1.00 0.00 O ATOM 336 CB ILE A 23 -8.020 -6.370 3.976 1.00 0.00 C ATOM 337 CG1 ILE A 23 -7.970 -4.856 4.261 1.00 0.00 C ATOM 338 CG2 ILE A 23 -7.761 -6.627 2.487 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.970 -4.103 3.377 1.00 0.00 C ATOM 0 H ILE A 23 -8.732 -6.333 6.307 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.187 -6.552 3.732 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.250 -6.864 4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.195 -4.671 5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.963 -4.480 4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.787 -6.222 2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.775 -7.700 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.536 -6.142 1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.917 -3.036 3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.727 -4.271 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.978 -4.465 3.578 1.00 0.00 H new ATOM 351 N SER A 24 -9.609 -8.935 3.018 1.00 0.00 N ATOM 352 CA SER A 24 -9.626 -10.407 2.778 1.00 0.00 C ATOM 353 C SER A 24 -8.187 -10.946 2.724 1.00 0.00 C ATOM 354 O SER A 24 -7.268 -10.203 2.443 1.00 0.00 O ATOM 355 CB SER A 24 -10.318 -10.579 1.424 1.00 0.00 C ATOM 356 OG SER A 24 -11.652 -11.025 1.633 1.00 0.00 O ATOM 0 H SER A 24 -9.775 -8.362 2.191 1.00 0.00 H new ATOM 0 HA SER A 24 -10.142 -10.953 3.568 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.319 -9.634 0.880 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.773 -11.298 0.813 1.00 0.00 H new ATOM 0 HG SER A 24 -12.100 -11.135 0.768 1.00 0.00 H new ATOM 362 N PRO A 25 -8.026 -12.226 2.990 1.00 0.00 N ATOM 363 CA PRO A 25 -6.671 -12.834 2.959 1.00 0.00 C ATOM 364 C PRO A 25 -6.172 -12.929 1.515 1.00 0.00 C ATOM 365 O PRO A 25 -6.706 -13.672 0.714 1.00 0.00 O ATOM 366 CB PRO A 25 -6.882 -14.221 3.561 1.00 0.00 C ATOM 367 CG PRO A 25 -8.325 -14.530 3.322 1.00 0.00 C ATOM 368 CD PRO A 25 -9.061 -13.216 3.338 1.00 0.00 C ATOM 0 HA PRO A 25 -5.924 -12.256 3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.236 -14.960 3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.647 -14.229 4.625 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.459 -15.036 2.366 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.710 -15.198 4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.880 -13.208 2.618 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.495 -13.013 4.317 1.00 0.00 H new ATOM 376 N GLY A 26 -5.158 -12.171 1.176 1.00 0.00 N ATOM 377 CA GLY A 26 -4.629 -12.205 -0.218 1.00 0.00 C ATOM 378 C GLY A 26 -5.571 -11.410 -1.121 1.00 0.00 C ATOM 379 O GLY A 26 -6.249 -11.961 -1.967 1.00 0.00 O ATOM 0 H GLY A 26 -4.675 -11.531 1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.626 -11.780 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.551 -13.235 -0.567 1.00 0.00 H new ATOM 383 N THR A 27 -5.625 -10.118 -0.931 1.00 0.00 N ATOM 384 CA THR A 27 -6.530 -9.266 -1.753 1.00 0.00 C ATOM 385 C THR A 27 -5.713 -8.213 -2.518 1.00 0.00 C ATOM 386 O THR A 27 -5.032 -7.401 -1.926 1.00 0.00 O ATOM 387 CB THR A 27 -7.470 -8.615 -0.717 1.00 0.00 C ATOM 388 OG1 THR A 27 -8.435 -9.570 -0.301 1.00 0.00 O ATOM 389 CG2 THR A 27 -8.191 -7.397 -1.312 1.00 0.00 C ATOM 0 H THR A 27 -5.076 -9.614 -0.235 1.00 0.00 H new ATOM 0 HA THR A 27 -7.082 -9.824 -2.509 1.00 0.00 H new ATOM 0 HB THR A 27 -6.872 -8.282 0.131 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.185 -9.573 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.846 -6.959 -0.559 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.455 -6.657 -1.628 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.784 -7.709 -2.172 1.00 0.00 H new ATOM 397 N LYS A 28 -5.797 -8.213 -3.826 1.00 0.00 N ATOM 398 CA LYS A 28 -5.045 -7.202 -4.631 1.00 0.00 C ATOM 399 C LYS A 28 -5.444 -5.786 -4.192 1.00 0.00 C ATOM 400 O LYS A 28 -6.598 -5.415 -4.278 1.00 0.00 O ATOM 401 CB LYS A 28 -5.463 -7.448 -6.089 1.00 0.00 C ATOM 402 CG LYS A 28 -4.311 -8.106 -6.856 1.00 0.00 C ATOM 403 CD LYS A 28 -4.523 -9.621 -6.904 1.00 0.00 C ATOM 404 CE LYS A 28 -3.511 -10.248 -7.866 1.00 0.00 C ATOM 405 NZ LYS A 28 -4.227 -11.400 -8.481 1.00 0.00 N ATOM 0 H LYS A 28 -6.355 -8.871 -4.371 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.966 -7.292 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.345 -8.087 -6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.736 -6.505 -6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.258 -7.704 -7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.361 -7.877 -6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.406 -10.047 -5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.538 -9.847 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.191 -9.533 -8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.615 -10.576 -7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.597 -11.881 -9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.514 -12.068 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.071 -11.057 -8.982 1.00 0.00 H new ATOM 419 N PHE A 29 -4.506 -4.995 -3.710 1.00 0.00 N ATOM 420 CA PHE A 29 -4.850 -3.600 -3.256 1.00 0.00 C ATOM 421 C PHE A 29 -5.665 -2.858 -4.328 1.00 0.00 C ATOM 422 O PHE A 29 -6.473 -2.001 -4.020 1.00 0.00 O ATOM 423 CB PHE A 29 -3.503 -2.904 -3.031 1.00 0.00 C ATOM 424 CG PHE A 29 -3.739 -1.498 -2.527 1.00 0.00 C ATOM 425 CD1 PHE A 29 -4.062 -0.478 -3.431 1.00 0.00 C ATOM 426 CD2 PHE A 29 -3.642 -1.216 -1.159 1.00 0.00 C ATOM 427 CE1 PHE A 29 -4.285 0.824 -2.967 1.00 0.00 C ATOM 428 CE2 PHE A 29 -3.866 0.085 -0.696 1.00 0.00 C ATOM 429 CZ PHE A 29 -4.187 1.106 -1.598 1.00 0.00 C ATOM 0 H PHE A 29 -3.524 -5.252 -3.612 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.461 -3.612 -2.354 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.908 -3.465 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.935 -2.878 -3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.139 -0.696 -4.486 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.394 -2.003 -0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.533 1.611 -3.664 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.791 0.302 0.359 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.359 2.110 -1.239 1.00 0.00 H new ATOM 439 N GLU A 30 -5.464 -3.191 -5.576 1.00 0.00 N ATOM 440 CA GLU A 30 -6.232 -2.517 -6.668 1.00 0.00 C ATOM 441 C GLU A 30 -7.672 -3.052 -6.723 1.00 0.00 C ATOM 442 O GLU A 30 -8.546 -2.435 -7.302 1.00 0.00 O ATOM 443 CB GLU A 30 -5.480 -2.849 -7.964 1.00 0.00 C ATOM 444 CG GLU A 30 -5.399 -4.367 -8.158 1.00 0.00 C ATOM 445 CD GLU A 30 -5.276 -4.685 -9.650 1.00 0.00 C ATOM 446 OE1 GLU A 30 -4.504 -4.016 -10.315 1.00 0.00 O ATOM 447 OE2 GLU A 30 -5.956 -5.592 -10.100 1.00 0.00 O ATOM 0 H GLU A 30 -4.801 -3.901 -5.888 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.303 -1.441 -6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.988 -2.394 -8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.476 -2.426 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.541 -4.768 -7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.287 -4.845 -7.745 1.00 0.00 H new ATOM 454 N GLU A 31 -7.922 -4.196 -6.129 1.00 0.00 N ATOM 455 CA GLU A 31 -9.299 -4.774 -6.150 1.00 0.00 C ATOM 456 C GLU A 31 -10.096 -4.342 -4.911 1.00 0.00 C ATOM 457 O GLU A 31 -11.311 -4.399 -4.906 1.00 0.00 O ATOM 458 CB GLU A 31 -9.087 -6.289 -6.144 1.00 0.00 C ATOM 459 CG GLU A 31 -10.411 -6.992 -6.456 1.00 0.00 C ATOM 460 CD GLU A 31 -10.486 -7.302 -7.952 1.00 0.00 C ATOM 461 OE1 GLU A 31 -10.894 -6.429 -8.699 1.00 0.00 O ATOM 462 OE2 GLU A 31 -10.131 -8.408 -8.327 1.00 0.00 O ATOM 0 H GLU A 31 -7.228 -4.753 -5.630 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.868 -4.436 -7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.334 -6.564 -6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.713 -6.611 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.490 -7.913 -5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.249 -6.359 -6.163 1.00 0.00 H new ATOM 469 N LEU A 32 -9.430 -3.911 -3.862 1.00 0.00 N ATOM 470 CA LEU A 32 -10.167 -3.478 -2.627 1.00 0.00 C ATOM 471 C LEU A 32 -11.199 -2.387 -2.980 1.00 0.00 C ATOM 472 O LEU A 32 -11.163 -1.846 -4.067 1.00 0.00 O ATOM 473 CB LEU A 32 -9.094 -2.926 -1.680 1.00 0.00 C ATOM 474 CG LEU A 32 -8.649 -4.021 -0.704 1.00 0.00 C ATOM 475 CD1 LEU A 32 -7.403 -3.555 0.052 1.00 0.00 C ATOM 476 CD2 LEU A 32 -9.767 -4.316 0.301 1.00 0.00 C ATOM 0 H LEU A 32 -8.414 -3.841 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.717 -4.300 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.239 -2.568 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.487 -2.072 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.423 -4.927 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.086 -4.333 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.601 -3.354 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.633 -2.646 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.441 -5.095 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.001 -3.411 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.656 -4.652 -0.232 1.00 0.00 H new ATOM 488 N PRO A 33 -12.098 -2.103 -2.061 1.00 0.00 N ATOM 489 CA PRO A 33 -13.137 -1.080 -2.323 1.00 0.00 C ATOM 490 C PRO A 33 -12.563 0.328 -2.153 1.00 0.00 C ATOM 491 O PRO A 33 -11.605 0.533 -1.430 1.00 0.00 O ATOM 492 CB PRO A 33 -14.195 -1.362 -1.262 1.00 0.00 C ATOM 493 CG PRO A 33 -13.469 -2.040 -0.143 1.00 0.00 C ATOM 494 CD PRO A 33 -12.234 -2.690 -0.718 1.00 0.00 C ATOM 0 HA PRO A 33 -13.532 -1.126 -3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.666 -0.439 -0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.988 -1.997 -1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.197 -1.319 0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.108 -2.786 0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.356 -2.485 -0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.343 -3.773 -0.768 1.00 0.00 H new ATOM 502 N ASP A 34 -13.147 1.298 -2.811 1.00 0.00 N ATOM 503 CA ASP A 34 -12.642 2.700 -2.687 1.00 0.00 C ATOM 504 C ASP A 34 -12.831 3.213 -1.257 1.00 0.00 C ATOM 505 O ASP A 34 -12.213 4.182 -0.857 1.00 0.00 O ATOM 506 CB ASP A 34 -13.473 3.523 -3.673 1.00 0.00 C ATOM 507 CG ASP A 34 -13.245 3.002 -5.092 1.00 0.00 C ATOM 508 OD1 ASP A 34 -12.128 2.607 -5.385 1.00 0.00 O ATOM 509 OD2 ASP A 34 -14.190 3.005 -5.862 1.00 0.00 O ATOM 0 H ASP A 34 -13.951 1.180 -3.428 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.576 2.768 -2.906 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.530 3.459 -3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.194 4.575 -3.611 1.00 0.00 H new ATOM 514 N ASP A 35 -13.659 2.561 -0.477 1.00 0.00 N ATOM 515 CA ASP A 35 -13.862 3.003 0.934 1.00 0.00 C ATOM 516 C ASP A 35 -12.610 2.696 1.773 1.00 0.00 C ATOM 517 O ASP A 35 -12.511 3.108 2.914 1.00 0.00 O ATOM 518 CB ASP A 35 -15.060 2.196 1.443 1.00 0.00 C ATOM 519 CG ASP A 35 -16.356 2.896 1.034 1.00 0.00 C ATOM 520 OD1 ASP A 35 -16.372 4.116 1.028 1.00 0.00 O ATOM 521 OD2 ASP A 35 -17.312 2.200 0.734 1.00 0.00 O ATOM 0 H ASP A 35 -14.201 1.744 -0.758 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.038 4.076 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.034 1.187 1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.013 2.099 2.528 1.00 0.00 H new ATOM 526 N TRP A 36 -11.648 1.983 1.218 1.00 0.00 N ATOM 527 CA TRP A 36 -10.409 1.666 1.993 1.00 0.00 C ATOM 528 C TRP A 36 -9.569 2.934 2.167 1.00 0.00 C ATOM 529 O TRP A 36 -9.337 3.669 1.226 1.00 0.00 O ATOM 530 CB TRP A 36 -9.662 0.628 1.149 1.00 0.00 C ATOM 531 CG TRP A 36 -8.588 -0.010 1.970 1.00 0.00 C ATOM 532 CD1 TRP A 36 -8.694 -1.202 2.602 1.00 0.00 C ATOM 533 CD2 TRP A 36 -7.249 0.485 2.256 1.00 0.00 C ATOM 534 NE1 TRP A 36 -7.507 -1.469 3.257 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.584 -0.459 3.074 1.00 0.00 C ATOM 536 CE3 TRP A 36 -6.554 1.649 1.889 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -5.276 -0.255 3.512 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -5.237 1.858 2.326 1.00 0.00 C ATOM 539 CH2 TRP A 36 -4.598 0.908 3.137 1.00 0.00 C ATOM 0 H TRP A 36 -11.673 1.612 0.268 1.00 0.00 H new ATOM 0 HA TRP A 36 -10.626 1.287 2.992 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -10.357 -0.131 0.789 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -9.227 1.104 0.270 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.565 -1.841 2.595 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.334 -2.310 3.808 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.036 2.388 1.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.790 -0.990 4.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.712 2.756 2.036 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.585 1.075 3.471 1.00 0.00 H new ATOM 550 N VAL A 37 -9.114 3.195 3.366 1.00 0.00 N ATOM 551 CA VAL A 37 -8.290 4.409 3.623 1.00 0.00 C ATOM 552 C VAL A 37 -7.323 4.118 4.769 1.00 0.00 C ATOM 553 O VAL A 37 -7.684 3.501 5.754 1.00 0.00 O ATOM 554 CB VAL A 37 -9.287 5.508 4.011 1.00 0.00 C ATOM 555 CG1 VAL A 37 -8.535 6.805 4.321 1.00 0.00 C ATOM 556 CG2 VAL A 37 -10.254 5.756 2.850 1.00 0.00 C ATOM 0 H VAL A 37 -9.282 2.611 4.185 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.697 4.709 2.759 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.843 5.189 4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.248 7.582 4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.845 6.637 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.976 7.121 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.962 6.537 3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.693 6.070 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.796 4.838 2.626 1.00 0.00 H new ATOM 566 N ALA A 38 -6.098 4.537 4.636 1.00 0.00 N ATOM 567 CA ALA A 38 -5.090 4.268 5.701 1.00 0.00 C ATOM 568 C ALA A 38 -5.143 5.323 6.824 1.00 0.00 C ATOM 569 O ALA A 38 -5.166 4.961 7.984 1.00 0.00 O ATOM 570 CB ALA A 38 -3.749 4.303 4.979 1.00 0.00 C ATOM 0 H ALA A 38 -5.748 5.057 3.832 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.272 3.314 6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.947 4.114 5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.733 3.537 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.606 5.283 4.524 1.00 0.00 H new ATOM 576 N PRO A 39 -5.154 6.593 6.466 1.00 0.00 N ATOM 577 CA PRO A 39 -5.194 7.650 7.505 1.00 0.00 C ATOM 578 C PRO A 39 -6.596 7.753 8.128 1.00 0.00 C ATOM 579 O PRO A 39 -6.860 7.158 9.157 1.00 0.00 O ATOM 580 CB PRO A 39 -4.805 8.919 6.748 1.00 0.00 C ATOM 581 CG PRO A 39 -5.154 8.654 5.317 1.00 0.00 C ATOM 582 CD PRO A 39 -5.132 7.159 5.107 1.00 0.00 C ATOM 0 HA PRO A 39 -4.526 7.454 8.344 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.346 9.785 7.130 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.742 9.132 6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.139 9.058 5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.442 9.144 4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.992 6.828 4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.240 6.848 4.562 1.00 0.00 H new ATOM 590 N ILE A 40 -7.496 8.496 7.525 1.00 0.00 N ATOM 591 CA ILE A 40 -8.871 8.625 8.099 1.00 0.00 C ATOM 592 C ILE A 40 -9.918 8.526 6.984 1.00 0.00 C ATOM 593 O ILE A 40 -10.680 7.580 6.923 1.00 0.00 O ATOM 594 CB ILE A 40 -8.909 10.011 8.759 1.00 0.00 C ATOM 595 CG1 ILE A 40 -7.812 10.105 9.829 1.00 0.00 C ATOM 596 CG2 ILE A 40 -10.275 10.230 9.417 1.00 0.00 C ATOM 597 CD1 ILE A 40 -7.776 11.522 10.407 1.00 0.00 C ATOM 0 H ILE A 40 -7.336 9.017 6.662 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.093 7.834 8.816 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.743 10.774 7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.002 9.383 10.623 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.844 9.854 9.395 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -10.300 11.214 9.885 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.057 10.168 8.661 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.441 9.464 10.174 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.996 11.586 11.166 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.565 12.235 9.610 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.741 11.756 10.857 1.00 0.00 H new ATOM 609 N THR A 41 -9.959 9.497 6.106 1.00 0.00 N ATOM 610 CA THR A 41 -10.958 9.466 4.994 1.00 0.00 C ATOM 611 C THR A 41 -10.418 10.211 3.769 1.00 0.00 C ATOM 612 O THR A 41 -11.155 10.869 3.059 1.00 0.00 O ATOM 613 CB THR A 41 -12.204 10.166 5.551 1.00 0.00 C ATOM 614 OG1 THR A 41 -13.206 10.209 4.545 1.00 0.00 O ATOM 615 CG2 THR A 41 -11.857 11.593 5.987 1.00 0.00 C ATOM 0 H THR A 41 -9.343 10.310 6.111 1.00 0.00 H new ATOM 0 HA THR A 41 -11.178 8.449 4.670 1.00 0.00 H new ATOM 0 HB THR A 41 -12.570 9.611 6.415 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.815 10.536 3.708 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.749 12.080 6.381 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.090 11.561 6.761 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.485 12.155 5.130 1.00 0.00 H new ATOM 623 N GLY A 42 -9.137 10.110 3.519 1.00 0.00 N ATOM 624 CA GLY A 42 -8.542 10.808 2.342 1.00 0.00 C ATOM 625 C GLY A 42 -7.364 9.992 1.804 1.00 0.00 C ATOM 626 O GLY A 42 -6.251 10.475 1.725 1.00 0.00 O ATOM 0 H GLY A 42 -8.477 9.573 4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.294 10.936 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.207 11.805 2.629 1.00 0.00 H new ATOM 630 N ALA A 43 -7.606 8.759 1.433 1.00 0.00 N ATOM 631 CA ALA A 43 -6.504 7.904 0.899 1.00 0.00 C ATOM 632 C ALA A 43 -7.086 6.719 0.107 1.00 0.00 C ATOM 633 O ALA A 43 -6.781 5.578 0.399 1.00 0.00 O ATOM 634 CB ALA A 43 -5.749 7.416 2.134 1.00 0.00 C ATOM 0 H ALA A 43 -8.520 8.308 1.477 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.851 8.446 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.920 6.779 1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.362 8.273 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.425 6.848 2.773 1.00 0.00 H new ATOM 640 N PRO A 44 -7.907 7.020 -0.877 1.00 0.00 N ATOM 641 CA PRO A 44 -8.517 5.947 -1.703 1.00 0.00 C ATOM 642 C PRO A 44 -7.452 5.287 -2.587 1.00 0.00 C ATOM 643 O PRO A 44 -6.267 5.424 -2.345 1.00 0.00 O ATOM 644 CB PRO A 44 -9.554 6.689 -2.547 1.00 0.00 C ATOM 645 CG PRO A 44 -9.065 8.098 -2.606 1.00 0.00 C ATOM 646 CD PRO A 44 -8.339 8.358 -1.313 1.00 0.00 C ATOM 0 HA PRO A 44 -8.958 5.144 -1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.634 6.257 -3.544 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.544 6.633 -2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.401 8.242 -3.458 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -9.897 8.792 -2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.489 9.025 -1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.990 8.828 -0.576 1.00 0.00 H new ATOM 654 N LYS A 45 -7.863 4.570 -3.606 1.00 0.00 N ATOM 655 CA LYS A 45 -6.871 3.899 -4.509 1.00 0.00 C ATOM 656 C LYS A 45 -5.909 4.928 -5.095 1.00 0.00 C ATOM 657 O LYS A 45 -4.732 4.672 -5.268 1.00 0.00 O ATOM 658 CB LYS A 45 -7.704 3.250 -5.625 1.00 0.00 C ATOM 659 CG LYS A 45 -8.693 2.229 -5.039 1.00 0.00 C ATOM 660 CD LYS A 45 -7.951 1.235 -4.143 1.00 0.00 C ATOM 661 CE LYS A 45 -8.870 0.060 -3.801 1.00 0.00 C ATOM 662 NZ LYS A 45 -8.752 -0.869 -4.960 1.00 0.00 N ATOM 0 H LYS A 45 -8.841 4.420 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.269 3.164 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.249 4.019 -6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.044 2.757 -6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.463 2.745 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.199 1.697 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.056 0.873 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.623 1.730 -3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.564 -0.424 -2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.899 0.391 -3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.611 -1.451 -5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.637 -0.319 -5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.925 -1.486 -4.828 1.00 0.00 H new ATOM 676 N SER A 46 -6.409 6.093 -5.389 1.00 0.00 N ATOM 677 CA SER A 46 -5.544 7.170 -5.957 1.00 0.00 C ATOM 678 C SER A 46 -4.751 7.844 -4.833 1.00 0.00 C ATOM 679 O SER A 46 -4.875 9.032 -4.597 1.00 0.00 O ATOM 680 CB SER A 46 -6.512 8.157 -6.605 1.00 0.00 C ATOM 681 OG SER A 46 -5.934 8.667 -7.800 1.00 0.00 O ATOM 0 H SER A 46 -7.387 6.351 -5.260 1.00 0.00 H new ATOM 0 HA SER A 46 -4.819 6.789 -6.676 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.458 7.663 -6.827 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.732 8.973 -5.917 1.00 0.00 H new ATOM 0 HG SER A 46 -6.554 9.300 -8.219 1.00 0.00 H new ATOM 687 N GLU A 47 -3.940 7.088 -4.137 1.00 0.00 N ATOM 688 CA GLU A 47 -3.135 7.669 -3.022 1.00 0.00 C ATOM 689 C GLU A 47 -1.931 6.773 -2.708 1.00 0.00 C ATOM 690 O GLU A 47 -0.839 7.255 -2.475 1.00 0.00 O ATOM 691 CB GLU A 47 -4.089 7.721 -1.829 1.00 0.00 C ATOM 692 CG GLU A 47 -3.509 8.638 -0.751 1.00 0.00 C ATOM 693 CD GLU A 47 -4.011 10.067 -0.968 1.00 0.00 C ATOM 694 OE1 GLU A 47 -5.197 10.229 -1.202 1.00 0.00 O ATOM 695 OE2 GLU A 47 -3.199 10.976 -0.897 1.00 0.00 O ATOM 0 H GLU A 47 -3.801 6.090 -4.294 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.739 8.653 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.065 8.087 -2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.240 6.719 -1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.803 8.285 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.420 8.615 -0.787 1.00 0.00 H new ATOM 702 N PHE A 48 -2.123 5.477 -2.707 1.00 0.00 N ATOM 703 CA PHE A 48 -0.991 4.543 -2.409 1.00 0.00 C ATOM 704 C PHE A 48 -0.113 4.375 -3.651 1.00 0.00 C ATOM 705 O PHE A 48 -0.316 5.025 -4.659 1.00 0.00 O ATOM 706 CB PHE A 48 -1.650 3.208 -2.066 1.00 0.00 C ATOM 707 CG PHE A 48 -1.847 3.063 -0.575 1.00 0.00 C ATOM 708 CD1 PHE A 48 -2.382 4.104 0.209 1.00 0.00 C ATOM 709 CD2 PHE A 48 -1.509 1.847 0.022 1.00 0.00 C ATOM 710 CE1 PHE A 48 -2.568 3.913 1.577 1.00 0.00 C ATOM 711 CE2 PHE A 48 -1.691 1.664 1.395 1.00 0.00 C ATOM 712 CZ PHE A 48 -2.220 2.697 2.171 1.00 0.00 C ATOM 0 H PHE A 48 -3.016 5.024 -2.900 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.360 4.913 -1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.613 3.134 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.033 2.389 -2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.647 5.046 -0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.106 1.046 -0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.982 4.707 2.180 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.423 0.725 1.856 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.361 2.556 3.232 1.00 0.00 H new ATOM 722 N GLU A 49 0.854 3.497 -3.584 1.00 0.00 N ATOM 723 CA GLU A 49 1.746 3.263 -4.746 1.00 0.00 C ATOM 724 C GLU A 49 2.433 1.902 -4.602 1.00 0.00 C ATOM 725 O GLU A 49 3.215 1.688 -3.694 1.00 0.00 O ATOM 726 CB GLU A 49 2.774 4.400 -4.705 1.00 0.00 C ATOM 727 CG GLU A 49 2.475 5.408 -5.818 1.00 0.00 C ATOM 728 CD GLU A 49 2.907 6.806 -5.368 1.00 0.00 C ATOM 729 OE1 GLU A 49 2.331 7.303 -4.415 1.00 0.00 O ATOM 730 OE2 GLU A 49 3.805 7.354 -5.986 1.00 0.00 O ATOM 0 H GLU A 49 1.062 2.929 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 49 1.204 3.252 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.743 4.896 -3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.780 3.998 -4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.004 5.128 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.411 5.402 -6.053 1.00 0.00 H new ATOM 737 N LYS A 50 2.141 0.980 -5.487 1.00 0.00 N ATOM 738 CA LYS A 50 2.771 -0.374 -5.400 1.00 0.00 C ATOM 739 C LYS A 50 4.297 -0.252 -5.460 1.00 0.00 C ATOM 740 O LYS A 50 4.831 0.770 -5.845 1.00 0.00 O ATOM 741 CB LYS A 50 2.233 -1.158 -6.602 1.00 0.00 C ATOM 742 CG LYS A 50 2.586 -0.441 -7.907 1.00 0.00 C ATOM 743 CD LYS A 50 2.082 -1.271 -9.086 1.00 0.00 C ATOM 744 CE LYS A 50 0.570 -1.080 -9.238 1.00 0.00 C ATOM 745 NZ LYS A 50 0.336 -1.021 -10.708 1.00 0.00 N ATOM 0 H LYS A 50 1.494 1.107 -6.265 1.00 0.00 H new ATOM 0 HA LYS A 50 2.533 -0.877 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.654 -2.163 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.151 -1.266 -6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.134 0.551 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.665 -0.301 -7.979 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.591 -0.968 -10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.312 -2.325 -8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.020 -1.904 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.236 -0.165 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.679 -0.891 -10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.867 -0.223 -11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.657 -1.908 -11.146 1.00 0.00 H new ATOM 759 N LEU A 51 4.996 -1.287 -5.071 1.00 0.00 N ATOM 760 CA LEU A 51 6.489 -1.238 -5.090 1.00 0.00 C ATOM 761 C LEU A 51 7.013 -1.639 -6.469 1.00 0.00 C ATOM 762 O LEU A 51 8.050 -1.179 -6.906 1.00 0.00 O ATOM 763 CB LEU A 51 6.931 -2.249 -4.025 1.00 0.00 C ATOM 764 CG LEU A 51 8.213 -1.771 -3.326 1.00 0.00 C ATOM 765 CD1 LEU A 51 9.337 -1.588 -4.351 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.949 -0.440 -2.615 1.00 0.00 C ATOM 0 H LEU A 51 4.597 -2.165 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 51 6.875 -0.239 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.137 -2.382 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.103 -3.221 -4.487 1.00 0.00 H new ATOM 0 HG LEU A 51 8.516 -2.521 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.240 -1.249 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.535 -2.538 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.037 -0.847 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.861 -0.105 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.636 0.307 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.162 -0.574 -1.873 1.00 0.00 H new ATOM 778 N GLU A 52 6.292 -2.485 -7.165 1.00 0.00 N ATOM 779 CA GLU A 52 6.715 -2.924 -8.532 1.00 0.00 C ATOM 780 C GLU A 52 8.189 -3.357 -8.551 1.00 0.00 C ATOM 781 O GLU A 52 8.813 -3.505 -7.517 1.00 0.00 O ATOM 782 CB GLU A 52 6.496 -1.689 -9.398 1.00 0.00 C ATOM 783 CG GLU A 52 5.003 -1.535 -9.698 1.00 0.00 C ATOM 784 CD GLU A 52 4.686 -2.174 -11.051 1.00 0.00 C ATOM 785 OE1 GLU A 52 5.110 -3.298 -11.267 1.00 0.00 O ATOM 786 OE2 GLU A 52 4.023 -1.530 -11.848 1.00 0.00 O ATOM 0 H GLU A 52 5.417 -2.895 -6.839 1.00 0.00 H new ATOM 0 HA GLU A 52 6.153 -3.790 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.868 -0.802 -8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.057 -1.779 -10.328 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.413 -2.008 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.730 -0.480 -9.709 1.00 0.00 H new ATOM 793 N ASP A 53 8.743 -3.563 -9.720 1.00 0.00 N ATOM 794 CA ASP A 53 10.172 -3.992 -9.819 1.00 0.00 C ATOM 795 C ASP A 53 11.089 -2.993 -9.099 1.00 0.00 C ATOM 796 O ASP A 53 11.899 -3.433 -8.300 1.00 0.00 O ATOM 797 CB ASP A 53 10.487 -4.030 -11.320 1.00 0.00 C ATOM 798 CG ASP A 53 10.250 -2.648 -11.940 1.00 0.00 C ATOM 799 OD1 ASP A 53 9.100 -2.252 -12.034 1.00 0.00 O ATOM 800 OD2 ASP A 53 11.224 -2.012 -12.307 1.00 0.00 O ATOM 801 OXT ASP A 53 10.964 -1.809 -9.362 1.00 0.00 O ATOM 0 H ASP A 53 8.265 -3.452 -10.614 1.00 0.00 H new ATOM 0 HA ASP A 53 10.335 -4.962 -9.348 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.522 -4.335 -11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.859 -4.772 -11.813 1.00 0.00 H new TER 806 ASP A 53