USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.48) USER MOD Set 1.2: A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0.0119 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -24:sc= 0.341 USER MOD Single : A 6 TYR OH : rot 30:sc= -0.0193 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0279 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0532 K(o=-0.053,f=-0.57) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -89:sc= 1.11 USER MOD Single : A 55 MET CE :methyl 147:sc= 0 (180deg=-0.594) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.468 -3.585 -3.953 1.00 0.00 N ATOM 2 CA MET A 1 12.606 -2.646 -3.256 1.00 0.00 C ATOM 3 C MET A 1 11.169 -3.166 -3.190 1.00 0.00 C ATOM 4 O MET A 1 10.675 -3.759 -4.148 1.00 0.00 O ATOM 5 CB MET A 1 12.628 -1.298 -3.980 1.00 0.00 C ATOM 6 CG MET A 1 13.946 -0.563 -3.730 1.00 0.00 C ATOM 7 SD MET A 1 14.896 -0.482 -5.240 1.00 0.00 S ATOM 8 CE MET A 1 16.305 0.454 -4.670 1.00 0.00 C ATOM 0 H1 MET A 1 14.065 -4.085 -3.264 1.00 0.00 H new ATOM 0 H2 MET A 1 12.885 -4.274 -4.470 1.00 0.00 H new ATOM 0 H3 MET A 1 14.072 -3.069 -4.624 1.00 0.00 H new ATOM 0 HA MET A 1 12.977 -2.528 -2.238 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.492 -1.454 -5.050 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.795 -0.684 -3.638 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.747 0.443 -3.362 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.518 -1.077 -2.958 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.004 0.597 -5.494 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.972 1.425 -4.303 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.800 -0.088 -3.864 1.00 0.00 H new ATOM 18 N ALA A 2 10.538 -2.926 -2.050 1.00 0.00 N ATOM 19 CA ALA A 2 9.167 -3.363 -1.846 1.00 0.00 C ATOM 20 C ALA A 2 8.313 -2.167 -1.422 1.00 0.00 C ATOM 21 O ALA A 2 8.843 -1.112 -1.076 1.00 0.00 O ATOM 22 CB ALA A 2 9.140 -4.494 -0.816 1.00 0.00 C ATOM 0 H ALA A 2 10.951 -2.434 -1.258 1.00 0.00 H new ATOM 0 HA ALA A 2 8.747 -3.756 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.112 -4.822 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.738 -5.330 -1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.551 -4.136 0.128 1.00 0.00 H new ATOM 28 N LEU A 3 7.004 -2.371 -1.463 1.00 0.00 N ATOM 29 CA LEU A 3 6.071 -1.323 -1.088 1.00 0.00 C ATOM 30 C LEU A 3 5.782 -1.416 0.412 1.00 0.00 C ATOM 31 O LEU A 3 6.342 -2.264 1.104 1.00 0.00 O ATOM 32 CB LEU A 3 4.816 -1.384 -1.961 1.00 0.00 C ATOM 33 CG LEU A 3 4.956 -0.822 -3.377 1.00 0.00 C ATOM 34 CD1 LEU A 3 4.017 -1.541 -4.348 1.00 0.00 C ATOM 35 CD2 LEU A 3 4.741 0.693 -3.388 1.00 0.00 C ATOM 0 H LEU A 3 6.568 -3.247 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 3 6.509 -0.341 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.499 -2.424 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.018 -0.842 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 3 5.975 -1.006 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.137 -1.122 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.259 -2.604 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.986 -1.410 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.846 1.068 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.741 0.921 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.483 1.170 -2.747 1.00 0.00 H new ATOM 47 N THR A 4 4.907 -0.532 0.869 1.00 0.00 N ATOM 48 CA THR A 4 4.537 -0.505 2.274 1.00 0.00 C ATOM 49 C THR A 4 3.158 0.135 2.450 1.00 0.00 C ATOM 50 O THR A 4 2.976 1.316 2.158 1.00 0.00 O ATOM 51 CB THR A 4 5.645 0.221 3.041 1.00 0.00 C ATOM 52 OG1 THR A 4 6.792 -0.604 2.855 1.00 0.00 O ATOM 53 CG2 THR A 4 5.416 0.206 4.553 1.00 0.00 C ATOM 0 H THR A 4 4.444 0.170 0.292 1.00 0.00 H new ATOM 0 HA THR A 4 4.448 -1.513 2.679 1.00 0.00 H new ATOM 0 HB THR A 4 5.712 1.252 2.695 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.507 -1.521 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.230 0.734 5.050 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.471 0.698 4.783 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.384 -0.825 4.906 1.00 0.00 H new ATOM 61 N LEU A 5 2.223 -0.674 2.926 1.00 0.00 N ATOM 62 CA LEU A 5 0.866 -0.202 3.143 1.00 0.00 C ATOM 63 C LEU A 5 0.587 -0.142 4.647 1.00 0.00 C ATOM 64 O LEU A 5 0.458 -1.176 5.300 1.00 0.00 O ATOM 65 CB LEU A 5 -0.132 -1.064 2.367 1.00 0.00 C ATOM 66 CG LEU A 5 -1.590 -0.978 2.824 1.00 0.00 C ATOM 67 CD1 LEU A 5 -2.311 0.185 2.141 1.00 0.00 C ATOM 68 CD2 LEU A 5 -2.313 -2.309 2.604 1.00 0.00 C ATOM 0 H LEU A 5 2.378 -1.653 3.167 1.00 0.00 H new ATOM 0 HA LEU A 5 0.748 0.810 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.084 -0.782 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.188 -2.104 2.433 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.601 -0.779 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.345 0.223 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.811 1.121 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.292 0.041 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.347 -2.221 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.294 -2.563 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.814 -3.093 3.174 1.00 0.00 H new ATOM 80 N TYR A 6 0.502 1.080 5.151 1.00 0.00 N ATOM 81 CA TYR A 6 0.240 1.290 6.565 1.00 0.00 C ATOM 82 C TYR A 6 -1.193 0.890 6.923 1.00 0.00 C ATOM 83 O TYR A 6 -2.143 1.329 6.277 1.00 0.00 O ATOM 84 CB TYR A 6 0.414 2.790 6.809 1.00 0.00 C ATOM 85 CG TYR A 6 1.828 3.306 6.530 1.00 0.00 C ATOM 86 CD1 TYR A 6 2.868 2.952 7.365 1.00 0.00 C ATOM 87 CD2 TYR A 6 2.062 4.125 5.445 1.00 0.00 C ATOM 88 CE1 TYR A 6 4.199 3.437 7.103 1.00 0.00 C ATOM 89 CE2 TYR A 6 3.392 4.610 5.183 1.00 0.00 C ATOM 90 CZ TYR A 6 4.395 4.242 6.025 1.00 0.00 C ATOM 91 OH TYR A 6 5.651 4.700 5.777 1.00 0.00 O ATOM 0 H TYR A 6 0.610 1.935 4.606 1.00 0.00 H new ATOM 0 HA TYR A 6 0.914 0.687 7.173 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.291 3.334 6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.155 3.012 7.844 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.684 2.311 8.215 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.248 4.402 4.792 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.022 3.167 7.748 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.589 5.252 4.337 1.00 0.00 H new ATOM 0 HH TYR A 6 6.307 4.047 6.099 1.00 0.00 H new ATOM 101 N GLN A 7 -1.303 0.062 7.951 1.00 0.00 N ATOM 102 CA GLN A 7 -2.604 -0.402 8.403 1.00 0.00 C ATOM 103 C GLN A 7 -2.477 -1.104 9.756 1.00 0.00 C ATOM 104 O GLN A 7 -1.428 -1.662 10.074 1.00 0.00 O ATOM 105 CB GLN A 7 -3.248 -1.323 7.365 1.00 0.00 C ATOM 106 CG GLN A 7 -2.506 -2.659 7.282 1.00 0.00 C ATOM 107 CD GLN A 7 -2.729 -3.326 5.924 1.00 0.00 C ATOM 108 OE1 GLN A 7 -3.765 -3.183 5.295 1.00 0.00 O ATOM 109 NE2 GLN A 7 -1.702 -4.062 5.508 1.00 0.00 N ATOM 0 H GLN A 7 -0.512 -0.300 8.484 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.255 0.464 8.526 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.292 -1.498 7.627 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.241 -0.838 6.389 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.440 -2.497 7.441 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -2.850 -3.320 8.077 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.864 -4.139 6.084 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.753 -4.549 4.613 1.00 0.00 H new ATOM 118 N ARG A 8 -3.560 -1.054 10.517 1.00 0.00 N ATOM 119 CA ARG A 8 -3.583 -1.679 11.829 1.00 0.00 C ATOM 120 C ARG A 8 -4.746 -2.668 11.925 1.00 0.00 C ATOM 121 O ARG A 8 -5.908 -2.277 11.834 1.00 0.00 O ATOM 122 CB ARG A 8 -3.721 -0.631 12.935 1.00 0.00 C ATOM 123 CG ARG A 8 -3.756 -1.292 14.315 1.00 0.00 C ATOM 124 CD ARG A 8 -4.492 -0.411 15.326 1.00 0.00 C ATOM 125 NE ARG A 8 -5.913 -0.818 15.412 1.00 0.00 N ATOM 126 CZ ARG A 8 -6.336 -1.950 15.991 1.00 0.00 C ATOM 127 NH1 ARG A 8 -5.452 -2.794 16.539 1.00 0.00 N ATOM 128 NH2 ARG A 8 -7.645 -2.237 16.023 1.00 0.00 N ATOM 0 H ARG A 8 -4.428 -0.590 10.250 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.640 -2.209 11.961 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.887 0.069 12.884 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.632 -0.053 12.781 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.249 -2.262 14.245 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.739 -1.476 14.660 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.021 -0.496 16.305 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.422 0.635 15.028 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.614 -0.198 15.005 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.456 -2.575 16.516 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.775 -3.655 16.980 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.318 -1.594 15.607 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.968 -3.099 16.464 1.00 0.00 H new ATOM 142 N ASP A 9 -4.392 -3.932 12.108 1.00 0.00 N ATOM 143 CA ASP A 9 -5.392 -4.981 12.217 1.00 0.00 C ATOM 144 C ASP A 9 -6.113 -5.134 10.877 1.00 0.00 C ATOM 145 O ASP A 9 -5.901 -4.342 9.960 1.00 0.00 O ATOM 146 CB ASP A 9 -6.437 -4.637 13.280 1.00 0.00 C ATOM 147 CG ASP A 9 -6.687 -5.731 14.320 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.979 -6.867 13.888 1.00 0.00 O ATOM 149 OD2 ASP A 9 -6.581 -5.406 15.522 1.00 0.00 O ATOM 0 H ASP A 9 -3.427 -4.253 12.184 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.884 -5.904 12.496 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.122 -3.730 13.797 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.379 -4.409 12.781 1.00 0.00 H new ATOM 154 N ASP A 10 -6.950 -6.159 10.806 1.00 0.00 N ATOM 155 CA ASP A 10 -7.704 -6.426 9.592 1.00 0.00 C ATOM 156 C ASP A 10 -9.076 -5.756 9.692 1.00 0.00 C ATOM 157 O ASP A 10 -9.814 -5.984 10.649 1.00 0.00 O ATOM 158 CB ASP A 10 -7.924 -7.927 9.400 1.00 0.00 C ATOM 159 CG ASP A 10 -8.135 -8.370 7.951 1.00 0.00 C ATOM 160 OD1 ASP A 10 -9.307 -8.353 7.517 1.00 0.00 O ATOM 161 OD2 ASP A 10 -7.119 -8.715 7.309 1.00 0.00 O ATOM 0 H ASP A 10 -7.123 -6.814 11.569 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.136 -6.034 8.748 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.064 -8.460 9.805 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.791 -8.230 9.987 1.00 0.00 H new ATOM 166 N CYS A 11 -9.376 -4.942 8.690 1.00 0.00 N ATOM 167 CA CYS A 11 -10.646 -4.238 8.652 1.00 0.00 C ATOM 168 C CYS A 11 -11.172 -4.272 7.216 1.00 0.00 C ATOM 169 O CYS A 11 -10.476 -4.722 6.307 1.00 0.00 O ATOM 170 CB CYS A 11 -10.515 -2.807 9.178 1.00 0.00 C ATOM 171 SG CYS A 11 -11.857 -2.453 10.371 1.00 0.00 S ATOM 0 H CYS A 11 -8.761 -4.755 7.898 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.359 -4.734 9.311 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.546 -2.675 9.659 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -10.559 -2.101 8.349 1.00 0.00 H new ATOM 0 HG CYS A 11 -11.735 -1.237 10.813 1.00 0.00 H new ATOM 177 N HIS A 12 -12.396 -3.791 7.056 1.00 0.00 N ATOM 178 CA HIS A 12 -13.024 -3.761 5.746 1.00 0.00 C ATOM 179 C HIS A 12 -12.405 -2.642 4.906 1.00 0.00 C ATOM 180 O HIS A 12 -11.944 -2.880 3.791 1.00 0.00 O ATOM 181 CB HIS A 12 -14.543 -3.636 5.874 1.00 0.00 C ATOM 182 CG HIS A 12 -15.235 -4.921 6.264 1.00 0.00 C ATOM 183 ND1 HIS A 12 -16.598 -5.111 6.122 1.00 0.00 N ATOM 184 CD2 HIS A 12 -14.737 -6.076 6.792 1.00 0.00 C ATOM 185 CE1 HIS A 12 -16.897 -6.330 6.549 1.00 0.00 C ATOM 186 NE2 HIS A 12 -15.743 -6.925 6.964 1.00 0.00 N ATOM 0 H HIS A 12 -12.970 -3.419 7.812 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.838 -4.702 5.228 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -14.773 -2.872 6.616 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.950 -3.290 4.924 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -13.701 -6.267 7.030 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -17.882 -6.774 6.565 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -15.665 -7.868 7.344 1.00 0.00 H new ATOM 194 N LEU A 13 -12.416 -1.445 5.474 1.00 0.00 N ATOM 195 CA LEU A 13 -11.862 -0.288 4.792 1.00 0.00 C ATOM 196 C LEU A 13 -10.460 -0.626 4.280 1.00 0.00 C ATOM 197 O LEU A 13 -10.092 -0.244 3.170 1.00 0.00 O ATOM 198 CB LEU A 13 -11.904 0.941 5.701 1.00 0.00 C ATOM 199 CG LEU A 13 -11.355 2.238 5.102 1.00 0.00 C ATOM 200 CD1 LEU A 13 -12.411 3.345 5.129 1.00 0.00 C ATOM 201 CD2 LEU A 13 -10.063 2.662 5.803 1.00 0.00 C ATOM 0 H LEU A 13 -12.800 -1.251 6.399 1.00 0.00 H new ATOM 0 HA LEU A 13 -12.467 -0.033 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -12.938 1.112 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.342 0.717 6.608 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.109 2.053 4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.995 4.255 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.280 3.033 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.712 3.536 6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.694 3.586 5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.260 2.823 6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.313 1.879 5.688 1.00 0.00 H new ATOM 213 N CYS A 14 -9.717 -1.340 5.113 1.00 0.00 N ATOM 214 CA CYS A 14 -8.364 -1.734 4.758 1.00 0.00 C ATOM 215 C CYS A 14 -8.445 -2.789 3.652 1.00 0.00 C ATOM 216 O CYS A 14 -7.647 -2.775 2.716 1.00 0.00 O ATOM 217 CB CYS A 14 -7.585 -2.241 5.974 1.00 0.00 C ATOM 218 SG CYS A 14 -7.073 -0.830 7.021 1.00 0.00 S ATOM 0 H CYS A 14 -10.026 -1.656 6.032 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.814 -0.867 4.392 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.203 -2.928 6.552 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.708 -2.799 5.647 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.415 -1.271 8.052 1.00 0.00 H new ATOM 224 N ASP A 15 -9.416 -3.679 3.797 1.00 0.00 N ATOM 225 CA ASP A 15 -9.612 -4.738 2.822 1.00 0.00 C ATOM 226 C ASP A 15 -9.838 -4.120 1.441 1.00 0.00 C ATOM 227 O ASP A 15 -9.367 -4.649 0.436 1.00 0.00 O ATOM 228 CB ASP A 15 -10.839 -5.584 3.167 1.00 0.00 C ATOM 229 CG ASP A 15 -10.889 -6.956 2.492 1.00 0.00 C ATOM 230 OD1 ASP A 15 -10.159 -7.123 1.491 1.00 0.00 O ATOM 231 OD2 ASP A 15 -11.656 -7.807 2.992 1.00 0.00 O ATOM 0 H ASP A 15 -10.075 -3.688 4.575 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.724 -5.370 2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.872 -5.726 4.247 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.735 -5.027 2.891 1.00 0.00 H new ATOM 236 N GLN A 16 -10.557 -3.007 1.437 1.00 0.00 N ATOM 237 CA GLN A 16 -10.851 -2.311 0.196 1.00 0.00 C ATOM 238 C GLN A 16 -9.559 -1.793 -0.441 1.00 0.00 C ATOM 239 O GLN A 16 -9.448 -1.731 -1.664 1.00 0.00 O ATOM 240 CB GLN A 16 -11.843 -1.170 0.429 1.00 0.00 C ATOM 241 CG GLN A 16 -13.274 -1.617 0.125 1.00 0.00 C ATOM 242 CD GLN A 16 -14.147 -0.426 -0.276 1.00 0.00 C ATOM 243 OE1 GLN A 16 -14.504 -0.245 -1.429 1.00 0.00 O ATOM 244 NE2 GLN A 16 -14.470 0.374 0.737 1.00 0.00 N ATOM 0 H GLN A 16 -10.944 -2.570 2.273 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.315 -3.017 -0.493 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.776 -0.831 1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.581 -0.321 -0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.266 -2.353 -0.679 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.700 -2.106 1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.138 0.165 1.678 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.050 1.197 0.572 1.00 0.00 H new ATOM 253 N ALA A 17 -8.616 -1.434 0.418 1.00 0.00 N ATOM 254 CA ALA A 17 -7.337 -0.924 -0.045 1.00 0.00 C ATOM 255 C ALA A 17 -6.544 -2.061 -0.693 1.00 0.00 C ATOM 256 O ALA A 17 -6.045 -1.917 -1.808 1.00 0.00 O ATOM 257 CB ALA A 17 -6.588 -0.284 1.126 1.00 0.00 C ATOM 0 H ALA A 17 -8.712 -1.486 1.432 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.482 -0.151 -0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.628 0.099 0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.180 0.536 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.421 -1.030 1.903 1.00 0.00 H new ATOM 263 N VAL A 18 -6.452 -3.165 0.033 1.00 0.00 N ATOM 264 CA VAL A 18 -5.728 -4.325 -0.457 1.00 0.00 C ATOM 265 C VAL A 18 -6.338 -4.777 -1.785 1.00 0.00 C ATOM 266 O VAL A 18 -5.624 -5.236 -2.676 1.00 0.00 O ATOM 267 CB VAL A 18 -5.725 -5.427 0.605 1.00 0.00 C ATOM 268 CG1 VAL A 18 -5.006 -6.677 0.095 1.00 0.00 C ATOM 269 CG2 VAL A 18 -5.101 -4.929 1.910 1.00 0.00 C ATOM 0 H VAL A 18 -6.867 -3.281 0.957 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.685 -4.072 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.761 -5.697 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.018 -7.445 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.513 -7.051 -0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.974 -6.428 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.111 -5.731 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.073 -4.618 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.674 -4.082 2.287 1.00 0.00 H new ATOM 279 N GLU A 19 -7.651 -4.632 -1.877 1.00 0.00 N ATOM 280 CA GLU A 19 -8.365 -5.019 -3.082 1.00 0.00 C ATOM 281 C GLU A 19 -7.832 -4.242 -4.288 1.00 0.00 C ATOM 282 O GLU A 19 -7.507 -4.832 -5.317 1.00 0.00 O ATOM 283 CB GLU A 19 -9.872 -4.812 -2.918 1.00 0.00 C ATOM 284 CG GLU A 19 -10.647 -6.057 -3.352 1.00 0.00 C ATOM 285 CD GLU A 19 -11.381 -5.814 -4.672 1.00 0.00 C ATOM 286 OE1 GLU A 19 -10.697 -5.401 -5.634 1.00 0.00 O ATOM 287 OE2 GLU A 19 -12.609 -6.046 -4.690 1.00 0.00 O ATOM 0 H GLU A 19 -8.240 -4.252 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.195 -6.082 -3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.100 -4.582 -1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.192 -3.955 -3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.961 -6.897 -3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.364 -6.331 -2.578 1.00 0.00 H new ATOM 294 N ALA A 20 -7.760 -2.930 -4.120 1.00 0.00 N ATOM 295 CA ALA A 20 -7.273 -2.065 -5.182 1.00 0.00 C ATOM 296 C ALA A 20 -5.857 -2.493 -5.571 1.00 0.00 C ATOM 297 O ALA A 20 -5.511 -2.505 -6.752 1.00 0.00 O ATOM 298 CB ALA A 20 -7.337 -0.607 -4.723 1.00 0.00 C ATOM 0 H ALA A 20 -8.031 -2.445 -3.265 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.900 -2.154 -6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.972 0.042 -5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.368 -0.345 -4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.717 -0.477 -3.836 1.00 0.00 H new ATOM 304 N LEU A 21 -5.075 -2.833 -4.557 1.00 0.00 N ATOM 305 CA LEU A 21 -3.704 -3.260 -4.779 1.00 0.00 C ATOM 306 C LEU A 21 -3.699 -4.494 -5.682 1.00 0.00 C ATOM 307 O LEU A 21 -3.076 -4.489 -6.743 1.00 0.00 O ATOM 308 CB LEU A 21 -2.986 -3.471 -3.444 1.00 0.00 C ATOM 309 CG LEU A 21 -2.066 -2.336 -2.990 1.00 0.00 C ATOM 310 CD1 LEU A 21 -1.729 -2.465 -1.504 1.00 0.00 C ATOM 311 CD2 LEU A 21 -0.809 -2.268 -3.859 1.00 0.00 C ATOM 0 H LEU A 21 -5.365 -2.821 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.142 -2.483 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.738 -3.634 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.396 -4.385 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.598 -1.393 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.074 -1.646 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.647 -2.426 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.225 -3.415 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.172 -1.453 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.265 -3.209 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.093 -2.093 -4.897 1.00 0.00 H new ATOM 323 N ALA A 22 -4.400 -5.523 -5.229 1.00 0.00 N ATOM 324 CA ALA A 22 -4.484 -6.762 -5.983 1.00 0.00 C ATOM 325 C ALA A 22 -4.978 -6.460 -7.399 1.00 0.00 C ATOM 326 O ALA A 22 -4.450 -6.995 -8.372 1.00 0.00 O ATOM 327 CB ALA A 22 -5.392 -7.748 -5.246 1.00 0.00 C ATOM 0 H ALA A 22 -4.915 -5.524 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.502 -7.226 -6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.455 -8.677 -5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.981 -7.952 -4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.388 -7.318 -5.143 1.00 0.00 H new ATOM 333 N GLN A 23 -5.986 -5.603 -7.469 1.00 0.00 N ATOM 334 CA GLN A 23 -6.558 -5.223 -8.750 1.00 0.00 C ATOM 335 C GLN A 23 -5.474 -4.655 -9.667 1.00 0.00 C ATOM 336 O GLN A 23 -5.360 -5.060 -10.823 1.00 0.00 O ATOM 337 CB GLN A 23 -7.700 -4.221 -8.565 1.00 0.00 C ATOM 338 CG GLN A 23 -9.018 -4.941 -8.271 1.00 0.00 C ATOM 339 CD GLN A 23 -10.138 -4.425 -9.177 1.00 0.00 C ATOM 340 OE1 GLN A 23 -9.952 -4.178 -10.357 1.00 0.00 O ATOM 341 NE2 GLN A 23 -11.307 -4.277 -8.561 1.00 0.00 N ATOM 0 H GLN A 23 -6.421 -5.161 -6.659 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.973 -6.115 -9.219 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.463 -3.541 -7.747 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.806 -3.614 -9.464 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.891 -6.014 -8.418 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.293 -4.793 -7.227 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.393 -4.502 -7.570 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.117 -3.938 -9.079 1.00 0.00 H new ATOM 350 N ALA A 24 -4.706 -3.726 -9.118 1.00 0.00 N ATOM 351 CA ALA A 24 -3.634 -3.098 -9.873 1.00 0.00 C ATOM 352 C ALA A 24 -2.517 -4.117 -10.108 1.00 0.00 C ATOM 353 O ALA A 24 -1.633 -3.894 -10.933 1.00 0.00 O ATOM 354 CB ALA A 24 -3.144 -1.856 -9.127 1.00 0.00 C ATOM 0 H ALA A 24 -4.804 -3.392 -8.159 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.992 -2.771 -10.849 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.340 -1.385 -9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.968 -1.152 -9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.774 -2.145 -8.143 1.00 0.00 H new ATOM 360 N ARG A 25 -2.593 -5.212 -9.367 1.00 0.00 N ATOM 361 CA ARG A 25 -1.599 -6.265 -9.484 1.00 0.00 C ATOM 362 C ARG A 25 -0.227 -5.752 -9.041 1.00 0.00 C ATOM 363 O ARG A 25 0.790 -6.091 -9.643 1.00 0.00 O ATOM 364 CB ARG A 25 -1.505 -6.776 -10.923 1.00 0.00 C ATOM 365 CG ARG A 25 -2.412 -7.990 -11.134 1.00 0.00 C ATOM 366 CD ARG A 25 -1.601 -9.212 -11.570 1.00 0.00 C ATOM 367 NE ARG A 25 -2.296 -9.913 -12.673 1.00 0.00 N ATOM 368 CZ ARG A 25 -2.320 -9.481 -13.941 1.00 0.00 C ATOM 369 NH1 ARG A 25 -1.688 -8.348 -14.275 1.00 0.00 N ATOM 370 NH2 ARG A 25 -2.976 -10.183 -14.876 1.00 0.00 N ATOM 0 H ARG A 25 -3.328 -5.393 -8.683 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.909 -7.087 -8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.788 -5.982 -11.614 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.473 -7.044 -11.151 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.946 -8.214 -10.211 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.164 -7.760 -11.889 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.607 -8.903 -11.894 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.465 -9.889 -10.726 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.788 -10.779 -12.454 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.188 -7.814 -13.564 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.706 -8.019 -15.240 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.457 -11.046 -14.622 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.994 -9.854 -15.841 1.00 0.00 H new ATOM 384 N ALA A 26 -0.244 -4.944 -7.991 1.00 0.00 N ATOM 385 CA ALA A 26 0.986 -4.380 -7.461 1.00 0.00 C ATOM 386 C ALA A 26 2.028 -5.491 -7.313 1.00 0.00 C ATOM 387 O ALA A 26 3.077 -5.452 -7.955 1.00 0.00 O ATOM 388 CB ALA A 26 0.694 -3.675 -6.135 1.00 0.00 C ATOM 0 H ALA A 26 -1.090 -4.666 -7.493 1.00 0.00 H new ATOM 0 HA ALA A 26 1.393 -3.634 -8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.616 -3.252 -5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.030 -2.877 -6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.288 -4.393 -5.423 1.00 0.00 H new ATOM 394 N GLY A 27 1.703 -6.455 -6.464 1.00 0.00 N ATOM 395 CA GLY A 27 2.598 -7.574 -6.224 1.00 0.00 C ATOM 396 C GLY A 27 2.729 -7.860 -4.727 1.00 0.00 C ATOM 397 O GLY A 27 1.737 -7.850 -4.000 1.00 0.00 O ATOM 0 H GLY A 27 0.832 -6.484 -5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.223 -8.460 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.580 -7.355 -6.643 1.00 0.00 H new ATOM 401 N ALA A 28 3.963 -8.107 -4.310 1.00 0.00 N ATOM 402 CA ALA A 28 4.237 -8.395 -2.913 1.00 0.00 C ATOM 403 C ALA A 28 4.715 -7.119 -2.218 1.00 0.00 C ATOM 404 O ALA A 28 5.253 -6.220 -2.864 1.00 0.00 O ATOM 405 CB ALA A 28 5.258 -9.530 -2.816 1.00 0.00 C ATOM 0 H ALA A 28 4.784 -8.113 -4.916 1.00 0.00 H new ATOM 0 HA ALA A 28 3.332 -8.727 -2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.463 -9.746 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.858 -10.422 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.181 -9.232 -3.313 1.00 0.00 H new ATOM 411 N PHE A 29 4.503 -7.080 -0.911 1.00 0.00 N ATOM 412 CA PHE A 29 4.906 -5.929 -0.121 1.00 0.00 C ATOM 413 C PHE A 29 4.981 -6.282 1.366 1.00 0.00 C ATOM 414 O PHE A 29 4.755 -7.430 1.746 1.00 0.00 O ATOM 415 CB PHE A 29 3.839 -4.851 -0.324 1.00 0.00 C ATOM 416 CG PHE A 29 2.414 -5.324 -0.032 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.050 -5.644 1.239 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.510 -5.425 -1.044 1.00 0.00 C ATOM 419 CE1 PHE A 29 0.727 -6.083 1.509 1.00 0.00 C ATOM 420 CE2 PHE A 29 0.187 -5.864 -0.773 1.00 0.00 C ATOM 421 CZ PHE A 29 -0.176 -6.184 0.498 1.00 0.00 C ATOM 0 H PHE A 29 4.057 -7.827 -0.379 1.00 0.00 H new ATOM 0 HA PHE A 29 5.893 -5.590 -0.436 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.068 -4.002 0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.889 -4.494 -1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.767 -5.564 2.043 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.799 -5.171 -2.053 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.438 -6.337 2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.531 -5.944 -1.576 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.182 -6.518 0.704 1.00 0.00 H new ATOM 431 N PHE A 30 5.298 -5.275 2.166 1.00 0.00 N ATOM 432 CA PHE A 30 5.405 -5.465 3.602 1.00 0.00 C ATOM 433 C PHE A 30 4.354 -4.636 4.345 1.00 0.00 C ATOM 434 O PHE A 30 4.073 -3.500 3.965 1.00 0.00 O ATOM 435 CB PHE A 30 6.799 -4.987 4.014 1.00 0.00 C ATOM 436 CG PHE A 30 7.940 -5.829 3.439 1.00 0.00 C ATOM 437 CD1 PHE A 30 7.855 -7.186 3.448 1.00 0.00 C ATOM 438 CD2 PHE A 30 9.039 -5.219 2.919 1.00 0.00 C ATOM 439 CE1 PHE A 30 8.914 -7.967 2.915 1.00 0.00 C ATOM 440 CE2 PHE A 30 10.098 -6.000 2.385 1.00 0.00 C ATOM 441 CZ PHE A 30 10.013 -7.358 2.394 1.00 0.00 C ATOM 0 H PHE A 30 5.484 -4.324 1.847 1.00 0.00 H new ATOM 0 HA PHE A 30 5.244 -6.514 3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.927 -3.953 3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.868 -4.995 5.102 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.982 -7.670 3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.106 -4.141 2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.847 -9.045 2.923 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.971 -5.516 1.972 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.818 -7.952 1.988 1.00 0.00 H new ATOM 451 N SER A 31 3.804 -5.236 5.389 1.00 0.00 N ATOM 452 CA SER A 31 2.791 -4.568 6.188 1.00 0.00 C ATOM 453 C SER A 31 3.445 -3.855 7.373 1.00 0.00 C ATOM 454 O SER A 31 4.422 -4.347 7.936 1.00 0.00 O ATOM 455 CB SER A 31 1.736 -5.560 6.682 1.00 0.00 C ATOM 456 OG SER A 31 1.055 -5.083 7.840 1.00 0.00 O ATOM 0 H SER A 31 4.040 -6.178 5.701 1.00 0.00 H new ATOM 0 HA SER A 31 2.291 -3.831 5.559 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.013 -5.746 5.888 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.213 -6.513 6.909 1.00 0.00 H new ATOM 0 HG SER A 31 0.389 -5.744 8.123 1.00 0.00 H new ATOM 462 N VAL A 32 2.880 -2.707 7.718 1.00 0.00 N ATOM 463 CA VAL A 32 3.397 -1.922 8.826 1.00 0.00 C ATOM 464 C VAL A 32 2.229 -1.420 9.678 1.00 0.00 C ATOM 465 O VAL A 32 1.284 -0.830 9.156 1.00 0.00 O ATOM 466 CB VAL A 32 4.281 -0.791 8.298 1.00 0.00 C ATOM 467 CG1 VAL A 32 4.629 0.199 9.412 1.00 0.00 C ATOM 468 CG2 VAL A 32 5.548 -1.345 7.643 1.00 0.00 C ATOM 0 H VAL A 32 2.069 -2.302 7.250 1.00 0.00 H new ATOM 0 HA VAL A 32 4.028 -2.537 9.468 1.00 0.00 H new ATOM 0 HB VAL A 32 3.717 -0.254 7.536 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.258 0.993 9.010 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.713 0.631 9.814 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.164 -0.321 10.207 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.159 -0.520 7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.115 -1.919 8.376 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.274 -1.992 6.810 1.00 0.00 H new ATOM 478 N PHE A 33 2.332 -1.672 10.974 1.00 0.00 N ATOM 479 CA PHE A 33 1.297 -1.253 11.903 1.00 0.00 C ATOM 480 C PHE A 33 1.657 0.080 12.561 1.00 0.00 C ATOM 481 O PHE A 33 2.665 0.180 13.259 1.00 0.00 O ATOM 482 CB PHE A 33 1.202 -2.332 12.983 1.00 0.00 C ATOM 483 CG PHE A 33 1.206 -3.762 12.437 1.00 0.00 C ATOM 484 CD1 PHE A 33 2.385 -4.407 12.232 1.00 0.00 C ATOM 485 CD2 PHE A 33 0.031 -4.386 12.157 1.00 0.00 C ATOM 486 CE1 PHE A 33 2.390 -5.734 11.725 1.00 0.00 C ATOM 487 CE2 PHE A 33 0.035 -5.713 11.651 1.00 0.00 C ATOM 488 CZ PHE A 33 1.215 -6.359 11.445 1.00 0.00 C ATOM 0 H PHE A 33 3.117 -2.162 11.403 1.00 0.00 H new ATOM 0 HA PHE A 33 0.353 -1.123 11.374 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.038 -2.215 13.673 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.289 -2.176 13.558 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.318 -3.911 12.455 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.905 -3.873 12.319 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.327 -6.246 11.562 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.898 -6.209 11.430 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.218 -7.368 11.059 1.00 0.00 H new ATOM 498 N ILE A 34 0.814 1.072 12.315 1.00 0.00 N ATOM 499 CA ILE A 34 1.031 2.395 12.875 1.00 0.00 C ATOM 500 C ILE A 34 0.830 2.342 14.391 1.00 0.00 C ATOM 501 O ILE A 34 1.247 3.250 15.108 1.00 0.00 O ATOM 502 CB ILE A 34 0.144 3.426 12.174 1.00 0.00 C ATOM 503 CG1 ILE A 34 -1.312 3.293 12.623 1.00 0.00 C ATOM 504 CG2 ILE A 34 0.287 3.327 10.654 1.00 0.00 C ATOM 505 CD1 ILE A 34 -1.979 4.666 12.735 1.00 0.00 C ATOM 0 H ILE A 34 -0.021 0.986 11.735 1.00 0.00 H new ATOM 0 HA ILE A 34 2.057 2.719 12.700 1.00 0.00 H new ATOM 0 HB ILE A 34 0.480 4.421 12.465 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.861 2.675 11.912 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.354 2.785 13.586 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.354 4.070 10.179 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.324 3.510 10.373 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.008 2.331 10.325 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.013 4.543 13.056 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.443 5.273 13.465 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.957 5.162 11.764 1.00 0.00 H new ATOM 517 N ASP A 35 0.192 1.268 14.834 1.00 0.00 N ATOM 518 CA ASP A 35 -0.068 1.085 16.252 1.00 0.00 C ATOM 519 C ASP A 35 1.237 1.252 17.032 1.00 0.00 C ATOM 520 O ASP A 35 2.314 1.319 16.441 1.00 0.00 O ATOM 521 CB ASP A 35 -0.611 -0.317 16.535 1.00 0.00 C ATOM 522 CG ASP A 35 0.452 -1.410 16.657 1.00 0.00 C ATOM 523 OD1 ASP A 35 1.463 -1.303 15.930 1.00 0.00 O ATOM 524 OD2 ASP A 35 0.230 -2.329 17.476 1.00 0.00 O ATOM 0 H ASP A 35 -0.152 0.516 14.236 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.806 1.827 16.558 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.187 -0.287 17.460 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.302 -0.590 15.737 1.00 0.00 H new ATOM 529 N ASP A 36 1.098 1.316 18.348 1.00 0.00 N ATOM 530 CA ASP A 36 2.253 1.475 19.215 1.00 0.00 C ATOM 531 C ASP A 36 3.167 2.562 18.647 1.00 0.00 C ATOM 532 O ASP A 36 4.388 2.414 18.646 1.00 0.00 O ATOM 533 CB ASP A 36 3.060 0.177 19.302 1.00 0.00 C ATOM 534 CG ASP A 36 2.547 -0.836 20.327 1.00 0.00 C ATOM 535 OD1 ASP A 36 2.559 -0.485 21.527 1.00 0.00 O ATOM 536 OD2 ASP A 36 2.155 -1.939 19.888 1.00 0.00 O ATOM 0 H ASP A 36 0.203 1.261 18.835 1.00 0.00 H new ATOM 0 HA ASP A 36 1.894 1.744 20.208 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.067 -0.295 18.320 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.093 0.425 19.544 1.00 0.00 H new ATOM 541 N ASP A 37 2.540 3.631 18.177 1.00 0.00 N ATOM 542 CA ASP A 37 3.281 4.743 17.607 1.00 0.00 C ATOM 543 C ASP A 37 2.346 5.943 17.444 1.00 0.00 C ATOM 544 O ASP A 37 1.608 6.030 16.464 1.00 0.00 O ATOM 545 CB ASP A 37 3.837 4.385 16.228 1.00 0.00 C ATOM 546 CG ASP A 37 5.264 4.869 15.960 1.00 0.00 C ATOM 547 OD1 ASP A 37 5.506 6.074 16.184 1.00 0.00 O ATOM 548 OD2 ASP A 37 6.080 4.021 15.538 1.00 0.00 O ATOM 0 H ASP A 37 1.527 3.750 18.179 1.00 0.00 H new ATOM 0 HA ASP A 37 4.107 4.978 18.278 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.809 3.302 16.112 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.178 4.804 15.467 1.00 0.00 H new ATOM 553 N ALA A 38 2.409 6.838 18.418 1.00 0.00 N ATOM 554 CA ALA A 38 1.577 8.030 18.394 1.00 0.00 C ATOM 555 C ALA A 38 2.040 8.947 17.261 1.00 0.00 C ATOM 556 O ALA A 38 1.227 9.625 16.635 1.00 0.00 O ATOM 557 CB ALA A 38 1.630 8.717 19.760 1.00 0.00 C ATOM 0 H ALA A 38 3.023 6.762 19.229 1.00 0.00 H new ATOM 0 HA ALA A 38 0.537 7.768 18.201 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.006 9.611 19.742 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.263 8.033 20.526 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.659 8.997 19.987 1.00 0.00 H new ATOM 563 N ALA A 39 3.345 8.939 17.032 1.00 0.00 N ATOM 564 CA ALA A 39 3.926 9.762 15.985 1.00 0.00 C ATOM 565 C ALA A 39 3.270 9.416 14.647 1.00 0.00 C ATOM 566 O ALA A 39 2.823 10.304 13.922 1.00 0.00 O ATOM 567 CB ALA A 39 5.443 9.562 15.960 1.00 0.00 C ATOM 0 H ALA A 39 4.016 8.376 17.554 1.00 0.00 H new ATOM 0 HA ALA A 39 3.740 10.818 16.180 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.879 10.180 15.174 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.864 9.850 16.923 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.669 8.514 15.764 1.00 0.00 H new ATOM 573 N LEU A 40 3.233 8.123 14.359 1.00 0.00 N ATOM 574 CA LEU A 40 2.640 7.649 13.121 1.00 0.00 C ATOM 575 C LEU A 40 1.136 7.930 13.141 1.00 0.00 C ATOM 576 O LEU A 40 0.556 8.300 12.121 1.00 0.00 O ATOM 577 CB LEU A 40 2.988 6.177 12.889 1.00 0.00 C ATOM 578 CG LEU A 40 4.474 5.858 12.720 1.00 0.00 C ATOM 579 CD1 LEU A 40 4.710 4.347 12.682 1.00 0.00 C ATOM 580 CD2 LEU A 40 5.049 6.559 11.487 1.00 0.00 C ATOM 0 H LEU A 40 3.604 7.389 14.962 1.00 0.00 H new ATOM 0 HA LEU A 40 3.054 8.188 12.269 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.605 5.597 13.729 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.460 5.835 11.999 1.00 0.00 H new ATOM 0 HG LEU A 40 5.007 6.245 13.588 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.775 4.148 12.561 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.361 3.901 13.613 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.163 3.914 11.845 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.107 6.315 11.390 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.517 6.224 10.597 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.934 7.638 11.595 1.00 0.00 H new ATOM 592 N GLU A 41 0.547 7.742 14.313 1.00 0.00 N ATOM 593 CA GLU A 41 -0.878 7.971 14.479 1.00 0.00 C ATOM 594 C GLU A 41 -1.221 9.431 14.177 1.00 0.00 C ATOM 595 O GLU A 41 -2.175 9.711 13.454 1.00 0.00 O ATOM 596 CB GLU A 41 -1.336 7.580 15.886 1.00 0.00 C ATOM 597 CG GLU A 41 -1.472 6.062 16.017 1.00 0.00 C ATOM 598 CD GLU A 41 -2.903 5.612 15.716 1.00 0.00 C ATOM 599 OE1 GLU A 41 -3.527 6.250 14.841 1.00 0.00 O ATOM 600 OE2 GLU A 41 -3.341 4.640 16.369 1.00 0.00 O ATOM 0 H GLU A 41 1.031 7.434 15.156 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.412 7.339 13.769 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.621 7.949 16.621 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.292 8.055 16.106 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.781 5.571 15.332 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.195 5.754 17.025 1.00 0.00 H new ATOM 607 N SER A 42 -0.423 10.322 14.746 1.00 0.00 N ATOM 608 CA SER A 42 -0.629 11.747 14.546 1.00 0.00 C ATOM 609 C SER A 42 -0.277 12.130 13.107 1.00 0.00 C ATOM 610 O SER A 42 -0.854 13.063 12.551 1.00 0.00 O ATOM 611 CB SER A 42 0.203 12.568 15.533 1.00 0.00 C ATOM 612 OG SER A 42 -0.592 13.513 16.245 1.00 0.00 O ATOM 0 H SER A 42 0.367 10.085 15.346 1.00 0.00 H new ATOM 0 HA SER A 42 -1.681 11.969 14.727 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.691 11.898 16.241 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.993 13.092 14.994 1.00 0.00 H new ATOM 0 HG SER A 42 -0.025 14.016 16.866 1.00 0.00 H new ATOM 618 N ALA A 43 0.668 11.390 12.546 1.00 0.00 N ATOM 619 CA ALA A 43 1.104 11.641 11.183 1.00 0.00 C ATOM 620 C ALA A 43 0.029 11.152 10.210 1.00 0.00 C ATOM 621 O ALA A 43 -0.302 11.842 9.247 1.00 0.00 O ATOM 622 CB ALA A 43 2.455 10.964 10.946 1.00 0.00 C ATOM 0 H ALA A 43 1.144 10.617 13.011 1.00 0.00 H new ATOM 0 HA ALA A 43 1.240 12.709 11.015 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.782 11.152 9.923 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.191 11.367 11.642 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.356 9.890 11.103 1.00 0.00 H new ATOM 628 N TYR A 44 -0.487 9.965 10.495 1.00 0.00 N ATOM 629 CA TYR A 44 -1.517 9.376 9.658 1.00 0.00 C ATOM 630 C TYR A 44 -2.865 9.354 10.381 1.00 0.00 C ATOM 631 O TYR A 44 -3.773 10.108 10.033 1.00 0.00 O ATOM 632 CB TYR A 44 -1.072 7.937 9.390 1.00 0.00 C ATOM 633 CG TYR A 44 0.135 7.823 8.456 1.00 0.00 C ATOM 634 CD1 TYR A 44 0.128 8.471 7.238 1.00 0.00 C ATOM 635 CD2 TYR A 44 1.229 7.071 8.832 1.00 0.00 C ATOM 636 CE1 TYR A 44 1.264 8.363 6.359 1.00 0.00 C ATOM 637 CE2 TYR A 44 2.365 6.963 7.953 1.00 0.00 C ATOM 638 CZ TYR A 44 2.326 7.615 6.760 1.00 0.00 C ATOM 639 OH TYR A 44 3.399 7.513 5.930 1.00 0.00 O ATOM 0 H TYR A 44 -0.210 9.395 11.295 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.642 9.952 8.741 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.830 7.459 10.340 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.906 7.384 8.958 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.729 9.059 6.944 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.234 6.563 9.785 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.272 8.865 5.403 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.228 6.378 8.235 1.00 0.00 H new ATOM 0 HH TYR A 44 3.275 6.750 5.327 1.00 0.00 H new ATOM 649 N GLY A 45 -2.954 8.481 11.374 1.00 0.00 N ATOM 650 CA GLY A 45 -4.176 8.351 12.150 1.00 0.00 C ATOM 651 C GLY A 45 -5.365 8.016 11.247 1.00 0.00 C ATOM 652 O GLY A 45 -5.690 6.846 11.051 1.00 0.00 O ATOM 0 H GLY A 45 -2.200 7.857 11.659 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.053 7.570 12.901 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.372 9.280 12.686 1.00 0.00 H new ATOM 656 N LEU A 46 -5.982 9.064 10.721 1.00 0.00 N ATOM 657 CA LEU A 46 -7.128 8.896 9.844 1.00 0.00 C ATOM 658 C LEU A 46 -6.656 8.350 8.495 1.00 0.00 C ATOM 659 O LEU A 46 -7.352 7.556 7.865 1.00 0.00 O ATOM 660 CB LEU A 46 -7.917 10.203 9.737 1.00 0.00 C ATOM 661 CG LEU A 46 -9.206 10.277 10.557 1.00 0.00 C ATOM 662 CD1 LEU A 46 -10.201 9.202 10.113 1.00 0.00 C ATOM 663 CD2 LEU A 46 -8.908 10.198 12.056 1.00 0.00 C ATOM 0 H LEU A 46 -5.710 10.033 10.886 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.822 8.165 10.259 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.267 11.023 10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.166 10.369 8.689 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.673 11.244 10.372 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.109 9.277 10.712 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.447 9.346 9.061 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.756 8.216 10.249 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.842 10.253 12.616 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.406 9.256 12.278 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.263 11.029 12.343 1.00 0.00 H new ATOM 675 N ARG A 47 -5.476 8.798 8.091 1.00 0.00 N ATOM 676 CA ARG A 47 -4.903 8.365 6.828 1.00 0.00 C ATOM 677 C ARG A 47 -4.038 7.120 7.037 1.00 0.00 C ATOM 678 O ARG A 47 -3.011 6.956 6.381 1.00 0.00 O ATOM 679 CB ARG A 47 -4.051 9.470 6.201 1.00 0.00 C ATOM 680 CG ARG A 47 -4.891 10.720 5.926 1.00 0.00 C ATOM 681 CD ARG A 47 -4.441 11.887 6.807 1.00 0.00 C ATOM 682 NE ARG A 47 -4.677 13.170 6.107 1.00 0.00 N ATOM 683 CZ ARG A 47 -5.886 13.723 5.941 1.00 0.00 C ATOM 684 NH1 ARG A 47 -6.976 13.110 6.423 1.00 0.00 N ATOM 685 NH2 ARG A 47 -6.006 14.889 5.292 1.00 0.00 N ATOM 0 H ARG A 47 -4.901 9.457 8.616 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.727 8.131 6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.226 9.721 6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.611 9.111 5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.803 10.998 4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.943 10.504 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.986 11.872 7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.383 11.784 7.049 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.869 13.664 5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.885 12.222 6.917 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.896 13.532 6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.177 15.356 4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.926 15.310 5.166 1.00 0.00 H new ATOM 699 N VAL A 48 -4.485 6.275 7.955 1.00 0.00 N ATOM 700 CA VAL A 48 -3.765 5.050 8.258 1.00 0.00 C ATOM 701 C VAL A 48 -3.481 4.295 6.958 1.00 0.00 C ATOM 702 O VAL A 48 -2.345 3.898 6.702 1.00 0.00 O ATOM 703 CB VAL A 48 -4.551 4.219 9.274 1.00 0.00 C ATOM 704 CG1 VAL A 48 -4.528 2.735 8.903 1.00 0.00 C ATOM 705 CG2 VAL A 48 -4.019 4.438 10.691 1.00 0.00 C ATOM 0 H VAL A 48 -5.337 6.415 8.499 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.803 5.276 8.718 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.588 4.554 9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.094 2.167 9.641 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.976 2.599 7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.497 2.381 8.884 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.595 3.836 11.393 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.971 4.143 10.736 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.111 5.491 10.956 1.00 0.00 H new ATOM 715 N PRO A 49 -4.561 4.114 6.152 1.00 0.00 N ATOM 716 CA PRO A 49 -4.439 3.413 4.885 1.00 0.00 C ATOM 717 C PRO A 49 -3.758 4.293 3.834 1.00 0.00 C ATOM 718 O PRO A 49 -4.413 4.799 2.924 1.00 0.00 O ATOM 719 CB PRO A 49 -5.861 3.031 4.508 1.00 0.00 C ATOM 720 CG PRO A 49 -6.767 3.930 5.334 1.00 0.00 C ATOM 721 CD PRO A 49 -5.921 4.570 6.423 1.00 0.00 C ATOM 0 HA PRO A 49 -3.808 2.527 4.954 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.035 3.175 3.442 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.053 1.980 4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.222 4.695 4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.581 3.353 5.773 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.988 5.657 6.389 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.252 4.261 7.415 1.00 0.00 H new ATOM 729 N VAL A 50 -2.452 4.449 3.996 1.00 0.00 N ATOM 730 CA VAL A 50 -1.676 5.259 3.073 1.00 0.00 C ATOM 731 C VAL A 50 -0.672 4.367 2.339 1.00 0.00 C ATOM 732 O VAL A 50 0.110 3.656 2.969 1.00 0.00 O ATOM 733 CB VAL A 50 -1.011 6.415 3.823 1.00 0.00 C ATOM 734 CG1 VAL A 50 0.225 6.916 3.074 1.00 0.00 C ATOM 735 CG2 VAL A 50 -2.004 7.553 4.066 1.00 0.00 C ATOM 0 H VAL A 50 -1.912 4.028 4.752 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.324 5.707 2.320 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.685 6.041 4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.678 7.738 3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.945 6.104 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.066 7.264 2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.506 8.362 4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.374 7.923 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.840 7.185 4.661 1.00 0.00 H new ATOM 745 N LEU A 51 -0.726 4.434 1.017 1.00 0.00 N ATOM 746 CA LEU A 51 0.169 3.642 0.190 1.00 0.00 C ATOM 747 C LEU A 51 1.451 4.435 -0.072 1.00 0.00 C ATOM 748 O LEU A 51 1.420 5.469 -0.736 1.00 0.00 O ATOM 749 CB LEU A 51 -0.543 3.185 -1.085 1.00 0.00 C ATOM 750 CG LEU A 51 0.102 2.015 -1.831 1.00 0.00 C ATOM 751 CD1 LEU A 51 1.175 1.342 -0.973 1.00 0.00 C ATOM 752 CD2 LEU A 51 -0.957 1.020 -2.310 1.00 0.00 C ATOM 0 H LEU A 51 -1.376 5.025 0.498 1.00 0.00 H new ATOM 0 HA LEU A 51 0.459 2.729 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.565 2.906 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.606 4.034 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 51 0.599 2.408 -2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.617 0.514 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.950 2.067 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.723 0.965 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.472 0.198 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.503 0.629 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.651 1.523 -2.983 1.00 0.00 H new ATOM 764 N ARG A 52 2.547 3.920 0.465 1.00 0.00 N ATOM 765 CA ARG A 52 3.837 4.567 0.297 1.00 0.00 C ATOM 766 C ARG A 52 4.750 3.711 -0.584 1.00 0.00 C ATOM 767 O ARG A 52 4.463 2.541 -0.829 1.00 0.00 O ATOM 768 CB ARG A 52 4.516 4.800 1.648 1.00 0.00 C ATOM 769 CG ARG A 52 4.884 3.472 2.314 1.00 0.00 C ATOM 770 CD ARG A 52 6.249 3.561 2.999 1.00 0.00 C ATOM 771 NE ARG A 52 7.295 2.995 2.118 1.00 0.00 N ATOM 772 CZ ARG A 52 8.484 2.556 2.551 1.00 0.00 C ATOM 773 NH1 ARG A 52 8.786 2.615 3.855 1.00 0.00 N ATOM 774 NH2 ARG A 52 9.373 2.058 1.680 1.00 0.00 N ATOM 0 H ARG A 52 2.568 3.062 1.017 1.00 0.00 H new ATOM 0 HA ARG A 52 3.665 5.531 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.414 5.402 1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.851 5.366 2.300 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.122 3.205 3.047 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.899 2.678 1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.481 4.600 3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.226 3.020 3.945 1.00 0.00 H new ATOM 0 HE ARG A 52 7.098 2.936 1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.110 2.994 4.518 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.692 2.281 4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.144 2.013 0.687 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.278 1.724 2.010 1.00 0.00 H new ATOM 788 N ASP A 53 5.832 4.329 -1.035 1.00 0.00 N ATOM 789 CA ASP A 53 6.789 3.638 -1.883 1.00 0.00 C ATOM 790 C ASP A 53 8.200 3.857 -1.335 1.00 0.00 C ATOM 791 O ASP A 53 8.423 4.755 -0.525 1.00 0.00 O ATOM 792 CB ASP A 53 6.748 4.180 -3.314 1.00 0.00 C ATOM 793 CG ASP A 53 6.323 5.644 -3.439 1.00 0.00 C ATOM 794 OD1 ASP A 53 5.122 5.908 -3.212 1.00 0.00 O ATOM 795 OD2 ASP A 53 7.208 6.467 -3.759 1.00 0.00 O ATOM 0 H ASP A 53 6.067 5.300 -0.829 1.00 0.00 H new ATOM 0 HA ASP A 53 6.531 2.579 -1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.737 4.065 -3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.062 3.567 -3.899 1.00 0.00 H new ATOM 800 N PRO A 54 9.141 2.998 -1.812 1.00 0.00 N ATOM 801 CA PRO A 54 10.525 3.089 -1.378 1.00 0.00 C ATOM 802 C PRO A 54 11.229 4.278 -2.034 1.00 0.00 C ATOM 803 O PRO A 54 12.262 4.737 -1.550 1.00 0.00 O ATOM 804 CB PRO A 54 11.143 1.752 -1.754 1.00 0.00 C ATOM 805 CG PRO A 54 10.218 1.143 -2.795 1.00 0.00 C ATOM 806 CD PRO A 54 8.913 1.923 -2.772 1.00 0.00 C ATOM 0 HA PRO A 54 10.619 3.270 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.148 1.885 -2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.231 1.103 -0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.673 1.190 -3.784 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.038 0.090 -2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.670 2.318 -3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.079 1.291 -2.468 1.00 0.00 H new ATOM 814 N MET A 55 10.641 4.744 -3.127 1.00 0.00 N ATOM 815 CA MET A 55 11.198 5.871 -3.854 1.00 0.00 C ATOM 816 C MET A 55 11.102 7.157 -3.030 1.00 0.00 C ATOM 817 O MET A 55 12.041 7.952 -3.002 1.00 0.00 O ATOM 818 CB MET A 55 10.443 6.052 -5.173 1.00 0.00 C ATOM 819 CG MET A 55 10.922 5.047 -6.222 1.00 0.00 C ATOM 820 SD MET A 55 12.636 5.349 -6.619 1.00 0.00 S ATOM 821 CE MET A 55 12.441 6.437 -8.021 1.00 0.00 C ATOM 0 H MET A 55 9.784 4.361 -3.526 1.00 0.00 H new ATOM 0 HA MET A 55 12.250 5.667 -4.052 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.374 5.925 -5.004 1.00 0.00 H new ATOM 0 HB3 MET A 55 10.589 7.067 -5.543 1.00 0.00 H new ATOM 0 HG2 MET A 55 10.801 4.031 -5.846 1.00 0.00 H new ATOM 0 HG3 MET A 55 10.312 5.129 -7.122 1.00 0.00 H new ATOM 0 HE1 MET A 55 13.259 7.157 -8.040 1.00 0.00 H new ATOM 0 HE2 MET A 55 12.452 5.851 -8.940 1.00 0.00 H new ATOM 0 HE3 MET A 55 11.493 6.968 -7.940 1.00 0.00 H new ATOM 831 N GLY A 56 9.960 7.321 -2.379 1.00 0.00 N ATOM 832 CA GLY A 56 9.730 8.496 -1.557 1.00 0.00 C ATOM 833 C GLY A 56 8.455 9.226 -1.987 1.00 0.00 C ATOM 834 O GLY A 56 8.472 10.436 -2.203 1.00 0.00 O ATOM 0 H GLY A 56 9.184 6.659 -2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.649 8.202 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.583 9.170 -1.634 1.00 0.00 H new ATOM 838 N ARG A 57 7.382 8.458 -2.099 1.00 0.00 N ATOM 839 CA ARG A 57 6.101 9.015 -2.500 1.00 0.00 C ATOM 840 C ARG A 57 4.963 8.334 -1.736 1.00 0.00 C ATOM 841 O ARG A 57 5.133 7.233 -1.215 1.00 0.00 O ATOM 842 CB ARG A 57 5.872 8.844 -4.003 1.00 0.00 C ATOM 843 CG ARG A 57 7.146 9.155 -4.791 1.00 0.00 C ATOM 844 CD ARG A 57 6.814 9.812 -6.132 1.00 0.00 C ATOM 845 NE ARG A 57 7.780 10.897 -6.417 1.00 0.00 N ATOM 846 CZ ARG A 57 7.981 11.953 -5.617 1.00 0.00 C ATOM 847 NH1 ARG A 57 7.285 12.073 -4.479 1.00 0.00 N ATOM 848 NH2 ARG A 57 8.879 12.888 -5.956 1.00 0.00 N ATOM 0 H ARG A 57 7.373 7.454 -1.919 1.00 0.00 H new ATOM 0 HA ARG A 57 6.114 10.079 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.551 7.823 -4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.068 9.504 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.787 9.816 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.706 8.236 -4.961 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.845 9.068 -6.928 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.801 10.213 -6.109 1.00 0.00 H new ATOM 0 HE ARG A 57 8.327 10.837 -7.276 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.602 11.361 -4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.438 12.877 -3.870 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.409 12.796 -6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.032 13.692 -5.348 1.00 0.00 H new ATOM 862 N GLU A 58 3.829 9.018 -1.695 1.00 0.00 N ATOM 863 CA GLU A 58 2.664 8.493 -1.004 1.00 0.00 C ATOM 864 C GLU A 58 1.408 8.692 -1.855 1.00 0.00 C ATOM 865 O GLU A 58 1.405 9.497 -2.784 1.00 0.00 O ATOM 866 CB GLU A 58 2.503 9.143 0.372 1.00 0.00 C ATOM 867 CG GLU A 58 3.576 8.647 1.342 1.00 0.00 C ATOM 868 CD GLU A 58 3.044 8.609 2.776 1.00 0.00 C ATOM 869 OE1 GLU A 58 2.535 9.661 3.221 1.00 0.00 O ATOM 870 OE2 GLU A 58 3.157 7.529 3.396 1.00 0.00 O ATOM 0 H GLU A 58 3.692 9.931 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 58 2.809 7.424 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.568 10.227 0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.514 8.917 0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.906 7.651 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.447 9.300 1.291 1.00 0.00 H new ATOM 877 N LEU A 59 0.371 7.944 -1.506 1.00 0.00 N ATOM 878 CA LEU A 59 -0.888 8.027 -2.226 1.00 0.00 C ATOM 879 C LEU A 59 -2.040 8.099 -1.223 1.00 0.00 C ATOM 880 O LEU A 59 -1.976 7.494 -0.154 1.00 0.00 O ATOM 881 CB LEU A 59 -1.012 6.874 -3.224 1.00 0.00 C ATOM 882 CG LEU A 59 -2.225 6.921 -4.155 1.00 0.00 C ATOM 883 CD1 LEU A 59 -2.114 8.083 -5.144 1.00 0.00 C ATOM 884 CD2 LEU A 59 -2.423 5.580 -4.866 1.00 0.00 C ATOM 0 H LEU A 59 0.377 7.278 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.927 8.939 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.110 6.850 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.043 5.938 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.113 7.099 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.989 8.093 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.059 9.023 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.215 7.962 -5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.292 5.641 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.537 5.348 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.581 4.796 -4.126 1.00 0.00 H new ATOM 896 N ASP A 60 -3.068 8.844 -1.603 1.00 0.00 N ATOM 897 CA ASP A 60 -4.233 9.003 -0.750 1.00 0.00 C ATOM 898 C ASP A 60 -4.832 7.627 -0.451 1.00 0.00 C ATOM 899 O ASP A 60 -4.566 6.662 -1.165 1.00 0.00 O ATOM 900 CB ASP A 60 -5.308 9.847 -1.437 1.00 0.00 C ATOM 901 CG ASP A 60 -5.758 11.083 -0.655 1.00 0.00 C ATOM 902 OD1 ASP A 60 -5.849 10.967 0.586 1.00 0.00 O ATOM 903 OD2 ASP A 60 -6.001 12.115 -1.316 1.00 0.00 O ATOM 0 H ASP A 60 -3.118 9.344 -2.491 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.915 9.501 0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.931 10.168 -2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.178 9.218 -1.624 1.00 0.00 H new ATOM 908 N TRP A 61 -5.630 7.581 0.607 1.00 0.00 N ATOM 909 CA TRP A 61 -6.268 6.340 1.009 1.00 0.00 C ATOM 910 C TRP A 61 -7.280 5.956 -0.073 1.00 0.00 C ATOM 911 O TRP A 61 -7.236 4.847 -0.603 1.00 0.00 O ATOM 912 CB TRP A 61 -6.899 6.472 2.397 1.00 0.00 C ATOM 913 CG TRP A 61 -8.296 5.859 2.506 1.00 0.00 C ATOM 914 CD1 TRP A 61 -9.402 6.413 3.022 1.00 0.00 C ATOM 915 CD2 TRP A 61 -8.695 4.543 2.067 1.00 0.00 C ATOM 916 NE1 TRP A 61 -10.480 5.554 2.947 1.00 0.00 N ATOM 917 CE2 TRP A 61 -10.036 4.381 2.348 1.00 0.00 C ATOM 918 CE3 TRP A 61 -7.946 3.524 1.452 1.00 0.00 C ATOM 919 CZ2 TRP A 61 -10.746 3.211 2.050 1.00 0.00 C ATOM 920 CZ3 TRP A 61 -8.670 2.361 1.161 1.00 0.00 C ATOM 921 CH2 TRP A 61 -10.020 2.182 1.437 1.00 0.00 C ATOM 0 H TRP A 61 -5.849 8.384 1.197 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.533 5.540 1.098 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.246 5.995 3.128 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.955 7.528 2.660 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.444 7.406 3.443 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -11.428 5.745 3.271 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.896 3.630 1.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.796 3.108 2.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -8.142 1.546 0.689 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.507 1.253 1.180 1.00 0.00 H new ATOM 932 N PRO A 62 -8.190 6.920 -0.377 1.00 0.00 N ATOM 933 CA PRO A 62 -9.210 6.694 -1.386 1.00 0.00 C ATOM 934 C PRO A 62 -8.615 6.764 -2.794 1.00 0.00 C ATOM 935 O PRO A 62 -8.126 7.812 -3.213 1.00 0.00 O ATOM 936 CB PRO A 62 -10.260 7.764 -1.131 1.00 0.00 C ATOM 937 CG PRO A 62 -9.572 8.830 -0.294 1.00 0.00 C ATOM 938 CD PRO A 62 -8.271 8.245 0.230 1.00 0.00 C ATOM 0 HA PRO A 62 -9.650 5.699 -1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.629 8.181 -2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.121 7.350 -0.606 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.376 9.719 -0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.212 9.138 0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.418 8.862 -0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.275 8.183 1.318 1.00 0.00 H new ATOM 946 N PHE A 63 -8.675 5.635 -3.484 1.00 0.00 N ATOM 947 CA PHE A 63 -8.147 5.556 -4.836 1.00 0.00 C ATOM 948 C PHE A 63 -8.880 4.486 -5.648 1.00 0.00 C ATOM 949 O PHE A 63 -9.873 3.925 -5.189 1.00 0.00 O ATOM 950 CB PHE A 63 -6.672 5.168 -4.718 1.00 0.00 C ATOM 951 CG PHE A 63 -6.355 4.283 -3.511 1.00 0.00 C ATOM 952 CD1 PHE A 63 -7.164 3.233 -3.207 1.00 0.00 C ATOM 953 CD2 PHE A 63 -5.265 4.547 -2.742 1.00 0.00 C ATOM 954 CE1 PHE A 63 -6.871 2.412 -2.086 1.00 0.00 C ATOM 955 CE2 PHE A 63 -4.971 3.725 -1.621 1.00 0.00 C ATOM 956 CZ PHE A 63 -5.780 2.675 -1.317 1.00 0.00 C ATOM 0 H PHE A 63 -9.081 4.768 -3.133 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.277 6.512 -5.343 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.370 4.647 -5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.072 6.076 -4.657 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.029 3.024 -3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.623 5.381 -2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.514 1.579 -1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.105 3.934 -1.010 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.556 2.050 -0.465 1.00 0.00 H new ATOM 966 N ASP A 64 -8.361 4.236 -6.841 1.00 0.00 N ATOM 967 CA ASP A 64 -8.953 3.243 -7.722 1.00 0.00 C ATOM 968 C ASP A 64 -7.877 2.246 -8.156 1.00 0.00 C ATOM 969 O ASP A 64 -6.752 2.286 -7.660 1.00 0.00 O ATOM 970 CB ASP A 64 -9.528 3.897 -8.981 1.00 0.00 C ATOM 971 CG ASP A 64 -10.367 5.151 -8.732 1.00 0.00 C ATOM 972 OD1 ASP A 64 -10.776 5.338 -7.566 1.00 0.00 O ATOM 973 OD2 ASP A 64 -10.582 5.895 -9.714 1.00 0.00 O ATOM 0 H ASP A 64 -7.537 4.704 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.754 2.743 -7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.704 4.155 -9.647 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.143 3.165 -9.504 1.00 0.00 H new ATOM 978 N ALA A 65 -8.260 1.375 -9.078 1.00 0.00 N ATOM 979 CA ALA A 65 -7.342 0.369 -9.585 1.00 0.00 C ATOM 980 C ALA A 65 -6.377 1.020 -10.578 1.00 0.00 C ATOM 981 O ALA A 65 -5.164 0.843 -10.476 1.00 0.00 O ATOM 982 CB ALA A 65 -8.137 -0.778 -10.211 1.00 0.00 C ATOM 0 H ALA A 65 -9.194 1.345 -9.487 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.747 -0.051 -8.774 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.449 -1.533 -10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.785 -1.225 -9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.744 -0.395 -11.031 1.00 0.00 H new ATOM 988 N PRO A 66 -6.967 1.778 -11.540 1.00 0.00 N ATOM 989 CA PRO A 66 -6.172 2.456 -12.550 1.00 0.00 C ATOM 990 C PRO A 66 -5.471 3.683 -11.964 1.00 0.00 C ATOM 991 O PRO A 66 -4.473 4.152 -12.510 1.00 0.00 O ATOM 992 CB PRO A 66 -7.156 2.806 -13.655 1.00 0.00 C ATOM 993 CG PRO A 66 -8.537 2.728 -13.024 1.00 0.00 C ATOM 994 CD PRO A 66 -8.400 2.010 -11.691 1.00 0.00 C ATOM 0 HA PRO A 66 -5.364 1.835 -12.936 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.962 3.804 -14.049 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.069 2.111 -14.490 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.948 3.727 -12.879 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.226 2.192 -13.677 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.791 2.615 -10.873 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.955 1.072 -11.688 1.00 0.00 H new ATOM 1002 N ARG A 67 -6.021 4.169 -10.861 1.00 0.00 N ATOM 1003 CA ARG A 67 -5.461 5.333 -10.195 1.00 0.00 C ATOM 1004 C ARG A 67 -4.304 4.917 -9.285 1.00 0.00 C ATOM 1005 O ARG A 67 -3.347 5.670 -9.109 1.00 0.00 O ATOM 1006 CB ARG A 67 -6.522 6.055 -9.362 1.00 0.00 C ATOM 1007 CG ARG A 67 -6.413 7.571 -9.531 1.00 0.00 C ATOM 1008 CD ARG A 67 -7.789 8.234 -9.432 1.00 0.00 C ATOM 1009 NE ARG A 67 -8.046 9.048 -10.641 1.00 0.00 N ATOM 1010 CZ ARG A 67 -7.402 10.187 -10.931 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -6.459 10.653 -10.101 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -7.702 10.859 -12.051 1.00 0.00 N ATOM 0 H ARG A 67 -6.849 3.778 -10.412 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.096 6.013 -10.965 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.515 5.722 -9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.404 5.793 -8.310 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.753 7.979 -8.766 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.963 7.801 -10.497 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.562 7.473 -9.325 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.836 8.863 -8.543 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.758 8.722 -11.295 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.231 10.141 -9.249 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.969 11.520 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.420 10.504 -12.682 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.212 11.726 -12.272 1.00 0.00 H new ATOM 1026 N LEU A 68 -4.429 3.721 -8.730 1.00 0.00 N ATOM 1027 CA LEU A 68 -3.406 3.196 -7.842 1.00 0.00 C ATOM 1028 C LEU A 68 -2.245 2.650 -8.676 1.00 0.00 C ATOM 1029 O LEU A 68 -1.082 2.821 -8.313 1.00 0.00 O ATOM 1030 CB LEU A 68 -4.006 2.171 -6.878 1.00 0.00 C ATOM 1031 CG LEU A 68 -3.115 1.748 -5.708 1.00 0.00 C ATOM 1032 CD1 LEU A 68 -3.736 2.158 -4.371 1.00 0.00 C ATOM 1033 CD2 LEU A 68 -2.812 0.249 -5.764 1.00 0.00 C ATOM 0 H LEU A 68 -5.224 3.100 -8.878 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.003 3.990 -7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.932 2.580 -6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.273 1.280 -7.446 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.163 2.272 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.083 1.846 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.859 3.241 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.709 1.680 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.177 -0.026 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.745 -0.313 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.298 0.016 -6.697 1.00 0.00 H new ATOM 1045 N ARG A 69 -2.601 2.005 -9.777 1.00 0.00 N ATOM 1046 CA ARG A 69 -1.603 1.434 -10.665 1.00 0.00 C ATOM 1047 C ARG A 69 -0.793 2.544 -11.338 1.00 0.00 C ATOM 1048 O ARG A 69 0.436 2.499 -11.352 1.00 0.00 O ATOM 1049 CB ARG A 69 -2.256 0.564 -11.741 1.00 0.00 C ATOM 1050 CG ARG A 69 -1.211 0.023 -12.719 1.00 0.00 C ATOM 1051 CD ARG A 69 -0.461 -1.166 -12.116 1.00 0.00 C ATOM 1052 NE ARG A 69 0.417 -1.781 -13.137 1.00 0.00 N ATOM 1053 CZ ARG A 69 -0.029 -2.498 -14.177 1.00 0.00 C ATOM 1054 NH1 ARG A 69 -1.344 -2.696 -14.340 1.00 0.00 N ATOM 1055 NH2 ARG A 69 0.841 -3.018 -15.054 1.00 0.00 N ATOM 0 H ARG A 69 -3.567 1.865 -10.074 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.941 0.811 -10.063 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.784 -0.266 -11.271 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.999 1.148 -12.284 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.698 -0.281 -13.646 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.504 0.812 -12.975 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.133 -0.837 -11.264 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.172 -1.904 -11.743 1.00 0.00 H new ATOM 0 HE ARG A 69 1.424 -1.651 -13.043 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.006 -2.301 -13.672 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.683 -3.242 -15.132 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.842 -2.868 -14.929 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.502 -3.564 -15.846 1.00 0.00 H new ATOM 1069 N ALA A 70 -1.515 3.513 -11.881 1.00 0.00 N ATOM 1070 CA ALA A 70 -0.879 4.633 -12.554 1.00 0.00 C ATOM 1071 C ALA A 70 0.123 5.291 -11.604 1.00 0.00 C ATOM 1072 O ALA A 70 1.153 5.803 -12.040 1.00 0.00 O ATOM 1073 CB ALA A 70 -1.950 5.610 -13.042 1.00 0.00 C ATOM 0 H ALA A 70 -2.534 3.546 -11.869 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.327 4.292 -13.430 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.473 6.450 -13.547 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.618 5.101 -13.737 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.523 5.976 -12.190 1.00 0.00 H new ATOM 1079 N TRP A 71 -0.214 5.257 -10.323 1.00 0.00 N ATOM 1080 CA TRP A 71 0.643 5.845 -9.307 1.00 0.00 C ATOM 1081 C TRP A 71 1.845 4.919 -9.110 1.00 0.00 C ATOM 1082 O TRP A 71 2.965 5.385 -8.906 1.00 0.00 O ATOM 1083 CB TRP A 71 -0.134 6.099 -8.014 1.00 0.00 C ATOM 1084 CG TRP A 71 0.720 6.658 -6.875 1.00 0.00 C ATOM 1085 CD1 TRP A 71 1.091 7.929 -6.669 1.00 0.00 C ATOM 1086 CD2 TRP A 71 1.297 5.909 -5.785 1.00 0.00 C ATOM 1087 NE1 TRP A 71 1.863 8.053 -5.532 1.00 0.00 N ATOM 1088 CE2 TRP A 71 1.992 6.785 -4.977 1.00 0.00 C ATOM 1089 CE3 TRP A 71 1.233 4.535 -5.492 1.00 0.00 C ATOM 1090 CZ2 TRP A 71 2.676 6.386 -3.823 1.00 0.00 C ATOM 1091 CZ3 TRP A 71 1.923 4.152 -4.335 1.00 0.00 C ATOM 1092 CH2 TRP A 71 2.627 5.022 -3.511 1.00 0.00 C ATOM 0 H TRP A 71 -1.069 4.831 -9.965 1.00 0.00 H new ATOM 0 HA TRP A 71 1.005 6.823 -9.626 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.946 6.796 -8.221 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.591 5.165 -7.687 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.820 8.753 -7.312 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.265 8.916 -5.166 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.695 3.831 -6.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 3.213 7.092 -3.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.907 3.107 -4.064 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.134 4.648 -2.634 1.00 0.00 H new ATOM 1103 N LEU A 72 1.571 3.624 -9.177 1.00 0.00 N ATOM 1104 CA LEU A 72 2.617 2.629 -9.009 1.00 0.00 C ATOM 1105 C LEU A 72 3.672 2.814 -10.101 1.00 0.00 C ATOM 1106 O LEU A 72 4.870 2.762 -9.826 1.00 0.00 O ATOM 1107 CB LEU A 72 2.016 1.223 -8.967 1.00 0.00 C ATOM 1108 CG LEU A 72 1.322 0.828 -7.661 1.00 0.00 C ATOM 1109 CD1 LEU A 72 0.138 -0.103 -7.929 1.00 0.00 C ATOM 1110 CD2 LEU A 72 2.318 0.219 -6.673 1.00 0.00 C ATOM 0 H LEU A 72 0.641 3.241 -9.345 1.00 0.00 H new ATOM 0 HA LEU A 72 3.121 2.765 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.295 1.133 -9.780 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.811 0.504 -9.165 1.00 0.00 H new ATOM 0 HG LEU A 72 0.923 1.731 -7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.337 -0.368 -6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.585 0.403 -8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.491 -1.008 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.799 -0.053 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.768 -0.671 -7.112 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.098 0.946 -6.448 1.00 0.00 H new ATOM 1122 N ASP A 73 3.189 3.026 -11.316 1.00 0.00 N ATOM 1123 CA ASP A 73 4.077 3.219 -12.451 1.00 0.00 C ATOM 1124 C ASP A 73 4.659 4.633 -12.402 1.00 0.00 C ATOM 1125 O ASP A 73 5.535 4.975 -13.195 1.00 0.00 O ATOM 1126 CB ASP A 73 3.322 3.064 -13.772 1.00 0.00 C ATOM 1127 CG ASP A 73 3.713 1.838 -14.600 1.00 0.00 C ATOM 1128 OD1 ASP A 73 4.755 1.925 -15.285 1.00 0.00 O ATOM 1129 OD2 ASP A 73 2.961 0.842 -14.530 1.00 0.00 O ATOM 0 H ASP A 73 2.195 3.068 -11.540 1.00 0.00 H new ATOM 0 HA ASP A 73 4.865 2.468 -12.395 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.254 3.015 -13.559 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.486 3.958 -14.374 1.00 0.00 H new ATOM 1134 N ALA A 74 4.150 5.416 -11.463 1.00 0.00 N ATOM 1135 CA ALA A 74 4.609 6.785 -11.300 1.00 0.00 C ATOM 1136 C ALA A 74 5.782 6.812 -10.318 1.00 0.00 C ATOM 1137 O ALA A 74 6.562 7.763 -10.302 1.00 0.00 O ATOM 1138 CB ALA A 74 3.444 7.664 -10.841 1.00 0.00 C ATOM 0 H ALA A 74 3.424 5.129 -10.807 1.00 0.00 H new ATOM 0 HA ALA A 74 4.965 7.185 -12.249 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.789 8.691 -10.719 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.650 7.634 -11.587 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.062 7.294 -9.890 1.00 0.00 H new ATOM 1144 N ALA A 75 5.870 5.757 -9.521 1.00 0.00 N ATOM 1145 CA ALA A 75 6.934 5.647 -8.538 1.00 0.00 C ATOM 1146 C ALA A 75 8.278 5.926 -9.215 1.00 0.00 C ATOM 1147 O ALA A 75 9.030 6.794 -8.774 1.00 0.00 O ATOM 1148 CB ALA A 75 6.886 4.264 -7.885 1.00 0.00 C ATOM 0 H ALA A 75 5.221 4.970 -9.536 1.00 0.00 H new ATOM 0 HA ALA A 75 6.803 6.385 -7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.684 4.182 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.923 4.127 -7.394 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.017 3.497 -8.648 1.00 0.00 H new ATOM 1154 N PRO A 76 8.545 5.154 -10.302 1.00 0.00 N ATOM 1155 CA PRO A 76 9.785 5.310 -11.043 1.00 0.00 C ATOM 1156 C PRO A 76 9.754 6.573 -11.905 1.00 0.00 C ATOM 1157 O PRO A 76 8.709 7.208 -12.045 1.00 0.00 O ATOM 1158 CB PRO A 76 9.917 4.036 -11.861 1.00 0.00 C ATOM 1159 CG PRO A 76 8.527 3.423 -11.905 1.00 0.00 C ATOM 1160 CD PRO A 76 7.678 4.117 -10.852 1.00 0.00 C ATOM 0 HA PRO A 76 10.650 5.442 -10.393 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.280 4.253 -12.866 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.632 3.351 -11.405 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.086 3.548 -12.894 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.576 2.352 -11.711 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.776 4.546 -11.290 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.356 3.419 -10.079 1.00 0.00 H new ATOM 1168 N HIS A 77 10.911 6.901 -12.461 1.00 0.00 N ATOM 1169 CA HIS A 77 11.029 8.077 -13.306 1.00 0.00 C ATOM 1170 C HIS A 77 11.357 9.298 -12.443 1.00 0.00 C ATOM 1171 O HIS A 77 12.216 10.103 -12.801 1.00 0.00 O ATOM 1172 CB HIS A 77 9.767 8.269 -14.149 1.00 0.00 C ATOM 1173 CG HIS A 77 9.993 9.047 -15.424 1.00 0.00 C ATOM 1174 ND1 HIS A 77 9.663 10.385 -15.554 1.00 0.00 N ATOM 1175 CD2 HIS A 77 10.521 8.662 -16.621 1.00 0.00 C ATOM 1176 CE1 HIS A 77 9.980 10.776 -16.780 1.00 0.00 C ATOM 1177 NE2 HIS A 77 10.511 9.707 -17.439 1.00 0.00 N ATOM 0 H HIS A 77 11.775 6.373 -12.343 1.00 0.00 H new ATOM 0 HA HIS A 77 11.850 7.942 -14.011 1.00 0.00 H new ATOM 0 HB2 HIS A 77 9.358 7.290 -14.400 1.00 0.00 H new ATOM 0 HB3 HIS A 77 9.017 8.784 -13.549 1.00 0.00 H new ATOM 0 HD2 HIS A 77 10.885 7.674 -16.862 1.00 0.00 H new ATOM 0 HE1 HIS A 77 9.842 11.767 -17.186 1.00 0.00 H new ATOM 0 HE2 HIS A 77 10.846 9.710 -18.403 1.00 0.00 H new ATOM 1185 N ALA A 78 10.656 9.396 -11.323 1.00 0.00 N ATOM 1186 CA ALA A 78 10.861 10.505 -10.407 1.00 0.00 C ATOM 1187 C ALA A 78 12.353 10.837 -10.342 1.00 0.00 C ATOM 1188 O ALA A 78 13.115 10.158 -9.654 1.00 0.00 O ATOM 1189 CB ALA A 78 10.283 10.148 -9.036 1.00 0.00 C ATOM 0 H ALA A 78 9.946 8.726 -11.029 1.00 0.00 H new ATOM 0 HA ALA A 78 10.340 11.395 -10.759 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.437 10.980 -8.349 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.216 9.949 -9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.784 9.261 -8.650 1.00 0.00 H new TER 1195 ALA A 78