USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 878 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 37 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 THR OG1 : rot 78:sc= 0.972 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -132:sc= 1.19 (180deg=-0.0454) USER MOD Set 2.2: A 25 SER OG : rot -91:sc= 1.59 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.213 (180deg=-0.242) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.568 USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 0.991 (180deg=0.936) USER MOD Single : A 19 GLN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 35 HIS : no HE2:sc= -2.16 K(o=-2.2,f=-5.4!) USER MOD Single : A 41 GLN : amide:sc= -0.924 X(o=-0.92,f=-0.42) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0803) USER MOD Single : A 53 GLN : amide:sc= 0.0855 K(o=0.086,f=-4.7!) USER MOD Single : A 55 ASN : amide:sc= -1.06! K(o=-1.1!,f=-0.066) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00822) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.125 K(o=0.13,f=-1) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 160:sc= -2.22! USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 112 HIS : no HD1:sc= -1.04 K(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.412 -8.133 12.559 1.00 0.00 N ATOM 2 CA MET A 1 7.151 -6.947 13.425 1.00 0.00 C ATOM 3 C MET A 1 7.741 -5.656 12.826 1.00 0.00 C ATOM 4 O MET A 1 7.807 -4.626 13.500 1.00 0.00 O ATOM 5 CB MET A 1 7.729 -7.180 14.830 1.00 0.00 C ATOM 6 CG MET A 1 7.076 -8.329 15.589 1.00 0.00 C ATOM 7 SD MET A 1 7.744 -8.520 17.252 1.00 0.00 S ATOM 8 CE MET A 1 6.739 -9.870 17.870 1.00 0.00 C ATOM 0 H1 MET A 1 6.927 -8.964 12.954 1.00 0.00 H new ATOM 0 H2 MET A 1 7.056 -7.947 11.600 1.00 0.00 H new ATOM 0 H3 MET A 1 8.435 -8.315 12.519 1.00 0.00 H new ATOM 0 HA MET A 1 6.070 -6.821 13.489 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.798 -7.377 14.743 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.619 -6.265 15.413 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.001 -8.157 15.649 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.220 -9.256 15.034 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.034 -10.105 18.893 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.689 -9.579 17.854 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.882 -10.748 17.240 1.00 0.00 H new ATOM 20 N THR A 2 8.163 -5.713 11.562 1.00 0.00 N ATOM 21 CA THR A 2 8.716 -4.539 10.868 1.00 0.00 C ATOM 22 C THR A 2 7.612 -3.715 10.186 1.00 0.00 C ATOM 23 O THR A 2 6.435 -4.079 10.225 1.00 0.00 O ATOM 24 CB THR A 2 9.757 -4.954 9.800 1.00 0.00 C ATOM 25 OG1 THR A 2 9.142 -5.798 8.813 1.00 0.00 O ATOM 26 CG2 THR A 2 10.936 -5.690 10.434 1.00 0.00 C ATOM 0 H THR A 2 8.134 -6.559 10.993 1.00 0.00 H new ATOM 0 HA THR A 2 9.201 -3.929 11.630 1.00 0.00 H new ATOM 0 HB THR A 2 10.130 -4.046 9.326 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.808 -6.054 8.141 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.650 -5.969 9.659 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.424 -5.039 11.160 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.577 -6.588 10.936 1.00 0.00 H new ATOM 34 N LEU A 3 7.995 -2.598 9.569 1.00 0.00 N ATOM 35 CA LEU A 3 7.038 -1.725 8.878 1.00 0.00 C ATOM 36 C LEU A 3 6.980 -2.026 7.372 1.00 0.00 C ATOM 37 O LEU A 3 8.013 -2.179 6.718 1.00 0.00 O ATOM 38 CB LEU A 3 7.421 -0.252 9.088 1.00 0.00 C ATOM 39 CG LEU A 3 7.502 0.213 10.552 1.00 0.00 C ATOM 40 CD1 LEU A 3 7.891 1.688 10.634 1.00 0.00 C ATOM 41 CD2 LEU A 3 6.180 -0.037 11.270 1.00 0.00 C ATOM 0 H LEU A 3 8.961 -2.273 9.532 1.00 0.00 H new ATOM 0 HA LEU A 3 6.053 -1.917 9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.388 -0.076 8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.694 0.371 8.568 1.00 0.00 H new ATOM 0 HG LEU A 3 8.277 -0.369 11.050 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.942 1.993 11.679 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.864 1.834 10.166 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.145 2.290 10.116 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.258 0.299 12.304 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.384 0.514 10.769 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.951 -1.103 11.251 1.00 0.00 H new ATOM 53 N ILE A 4 5.766 -2.109 6.830 1.00 0.00 N ATOM 54 CA ILE A 4 5.560 -2.271 5.383 1.00 0.00 C ATOM 55 C ILE A 4 4.827 -1.056 4.797 1.00 0.00 C ATOM 56 O ILE A 4 3.947 -0.479 5.441 1.00 0.00 O ATOM 57 CB ILE A 4 4.763 -3.558 5.051 1.00 0.00 C ATOM 58 CG1 ILE A 4 3.444 -3.598 5.847 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.611 -4.802 5.323 1.00 0.00 C ATOM 60 CD1 ILE A 4 2.583 -4.813 5.561 1.00 0.00 C ATOM 0 H ILE A 4 4.902 -2.067 7.371 1.00 0.00 H new ATOM 0 HA ILE A 4 6.549 -2.354 4.932 1.00 0.00 H new ATOM 0 HB ILE A 4 4.515 -3.548 3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.674 -3.572 6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.870 -2.699 5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.034 -5.695 5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.508 -4.773 4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.896 -4.825 6.375 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.674 -4.764 6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.319 -4.831 4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.136 -5.718 5.813 1.00 0.00 H new ATOM 72 N TYR A 5 5.193 -0.671 3.574 1.00 0.00 N ATOM 73 CA TYR A 5 4.644 0.537 2.945 1.00 0.00 C ATOM 74 C TYR A 5 4.043 0.245 1.562 1.00 0.00 C ATOM 75 O TYR A 5 4.636 -0.467 0.751 1.00 0.00 O ATOM 76 CB TYR A 5 5.743 1.597 2.807 1.00 0.00 C ATOM 77 CG TYR A 5 6.443 1.927 4.115 1.00 0.00 C ATOM 78 CD1 TYR A 5 7.528 1.174 4.553 1.00 0.00 C ATOM 79 CD2 TYR A 5 6.019 2.987 4.910 1.00 0.00 C ATOM 80 CE1 TYR A 5 8.171 1.471 5.738 1.00 0.00 C ATOM 81 CE2 TYR A 5 6.658 3.287 6.098 1.00 0.00 C ATOM 82 CZ TYR A 5 7.733 2.525 6.506 1.00 0.00 C ATOM 83 OH TYR A 5 8.379 2.826 7.683 1.00 0.00 O ATOM 0 H TYR A 5 5.866 -1.176 2.997 1.00 0.00 H new ATOM 0 HA TYR A 5 3.844 0.905 3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.483 1.248 2.087 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.307 2.509 2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.873 0.343 3.956 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.177 3.585 4.594 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.014 0.878 6.061 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.318 4.114 6.704 1.00 0.00 H new ATOM 0 HH TYR A 5 7.947 3.598 8.105 1.00 0.00 H new ATOM 93 N LYS A 6 2.863 0.801 1.296 1.00 0.00 N ATOM 94 CA LYS A 6 2.246 0.713 -0.034 1.00 0.00 C ATOM 95 C LYS A 6 1.705 2.084 -0.464 1.00 0.00 C ATOM 96 O LYS A 6 0.790 2.620 0.161 1.00 0.00 O ATOM 97 CB LYS A 6 1.104 -0.318 -0.043 1.00 0.00 C ATOM 98 CG LYS A 6 0.655 -0.732 -1.450 1.00 0.00 C ATOM 99 CD LYS A 6 -0.662 -1.510 -1.427 1.00 0.00 C ATOM 100 CE LYS A 6 -0.929 -2.242 -2.745 1.00 0.00 C ATOM 101 NZ LYS A 6 -0.814 -1.359 -3.939 1.00 0.00 N ATOM 0 H LYS A 6 2.312 1.318 1.981 1.00 0.00 H new ATOM 0 HA LYS A 6 3.013 0.391 -0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.424 -1.206 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.250 0.095 0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.540 0.157 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.429 -1.344 -1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.640 -2.232 -0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.483 -0.823 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.225 -3.069 -2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.929 -2.676 -2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.641 -1.497 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.772 -0.366 -3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.051 -1.597 -4.465 1.00 0.00 H new ATOM 115 N ILE A 7 2.281 2.654 -1.520 1.00 0.00 N ATOM 116 CA ILE A 7 1.816 3.939 -2.051 1.00 0.00 C ATOM 117 C ILE A 7 0.742 3.727 -3.127 1.00 0.00 C ATOM 118 O ILE A 7 0.919 2.922 -4.044 1.00 0.00 O ATOM 119 CB ILE A 7 2.990 4.762 -2.645 1.00 0.00 C ATOM 120 CG1 ILE A 7 4.075 4.985 -1.577 1.00 0.00 C ATOM 121 CG2 ILE A 7 2.493 6.102 -3.197 1.00 0.00 C ATOM 122 CD1 ILE A 7 5.270 5.775 -2.064 1.00 0.00 C ATOM 0 H ILE A 7 3.069 2.250 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 7 1.385 4.497 -1.220 1.00 0.00 H new ATOM 0 HB ILE A 7 3.423 4.198 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.632 5.504 -0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.417 4.016 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.334 6.661 -3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.759 5.922 -3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.032 6.678 -2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.987 5.888 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.741 5.248 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.943 6.760 -2.399 1.00 0.00 H new ATOM 134 N LEU A 8 -0.369 4.448 -3.013 1.00 0.00 N ATOM 135 CA LEU A 8 -1.478 4.319 -3.966 1.00 0.00 C ATOM 136 C LEU A 8 -2.211 5.651 -4.157 1.00 0.00 C ATOM 137 O LEU A 8 -2.096 6.562 -3.337 1.00 0.00 O ATOM 138 CB LEU A 8 -2.468 3.221 -3.520 1.00 0.00 C ATOM 139 CG LEU A 8 -3.291 3.492 -2.239 1.00 0.00 C ATOM 140 CD1 LEU A 8 -4.292 2.362 -1.999 1.00 0.00 C ATOM 141 CD2 LEU A 8 -2.392 3.658 -1.016 1.00 0.00 C ATOM 0 H LEU A 8 -0.530 5.129 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.049 4.029 -4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.165 3.042 -4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.906 2.299 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.832 4.427 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.863 2.568 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.971 2.291 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.756 1.420 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.006 3.847 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.812 2.748 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.715 4.498 -1.173 1.00 0.00 H new ATOM 153 N SER A 9 -2.958 5.759 -5.250 1.00 0.00 N ATOM 154 CA SER A 9 -3.706 6.984 -5.558 1.00 0.00 C ATOM 155 C SER A 9 -4.876 7.177 -4.587 1.00 0.00 C ATOM 156 O SER A 9 -5.381 6.213 -4.000 1.00 0.00 O ATOM 157 CB SER A 9 -4.239 6.941 -6.998 1.00 0.00 C ATOM 158 OG SER A 9 -5.175 5.884 -7.174 1.00 0.00 O ATOM 0 H SER A 9 -3.065 5.016 -5.941 1.00 0.00 H new ATOM 0 HA SER A 9 -3.020 7.825 -5.451 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.712 7.892 -7.241 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.408 6.812 -7.691 1.00 0.00 H new ATOM 0 HG SER A 9 -5.497 5.883 -8.099 1.00 0.00 H new ATOM 164 N ARG A 10 -5.308 8.426 -4.421 1.00 0.00 N ATOM 165 CA ARG A 10 -6.435 8.742 -3.538 1.00 0.00 C ATOM 166 C ARG A 10 -7.684 7.935 -3.931 1.00 0.00 C ATOM 167 O ARG A 10 -8.480 7.551 -3.075 1.00 0.00 O ATOM 168 CB ARG A 10 -6.736 10.248 -3.582 1.00 0.00 C ATOM 169 CG ARG A 10 -7.767 10.714 -2.555 1.00 0.00 C ATOM 170 CD ARG A 10 -7.336 10.388 -1.127 1.00 0.00 C ATOM 171 NE ARG A 10 -8.202 11.018 -0.132 1.00 0.00 N ATOM 172 CZ ARG A 10 -9.256 10.455 0.398 1.00 0.00 C ATOM 173 NH1 ARG A 10 -9.653 9.286 0.007 1.00 0.00 N ATOM 174 NH2 ARG A 10 -9.925 11.075 1.310 1.00 0.00 N ATOM 0 H ARG A 10 -4.897 9.236 -4.885 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.160 8.466 -2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.808 10.797 -3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.092 10.506 -4.579 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.916 11.789 -2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.726 10.239 -2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.347 9.308 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.309 10.720 -0.975 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.967 11.964 0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.141 8.792 -0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.477 8.859 0.430 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.631 12.003 1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.748 10.638 1.725 1.00 0.00 H new ATOM 188 N ALA A 11 -7.833 7.677 -5.229 1.00 0.00 N ATOM 189 CA ALA A 11 -8.932 6.859 -5.751 1.00 0.00 C ATOM 190 C ALA A 11 -8.887 5.424 -5.206 1.00 0.00 C ATOM 191 O ALA A 11 -9.855 4.950 -4.611 1.00 0.00 O ATOM 192 CB ALA A 11 -8.885 6.844 -7.273 1.00 0.00 C ATOM 0 H ALA A 11 -7.199 8.026 -5.948 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.869 7.306 -5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.704 6.235 -7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.983 7.862 -7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.935 6.424 -7.604 1.00 0.00 H new ATOM 198 N GLU A 12 -7.755 4.745 -5.414 1.00 0.00 N ATOM 199 CA GLU A 12 -7.562 3.369 -4.929 1.00 0.00 C ATOM 200 C GLU A 12 -7.860 3.257 -3.425 1.00 0.00 C ATOM 201 O GLU A 12 -8.578 2.360 -2.981 1.00 0.00 O ATOM 202 CB GLU A 12 -6.117 2.907 -5.197 1.00 0.00 C ATOM 203 CG GLU A 12 -5.750 2.798 -6.674 1.00 0.00 C ATOM 204 CD GLU A 12 -4.268 2.507 -6.892 1.00 0.00 C ATOM 205 OE1 GLU A 12 -3.871 1.322 -6.863 1.00 0.00 O ATOM 206 OE2 GLU A 12 -3.492 3.469 -7.090 1.00 0.00 O ATOM 0 H GLU A 12 -6.953 5.125 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.260 2.729 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.431 3.604 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.966 1.936 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.343 2.008 -7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.012 3.728 -7.179 1.00 0.00 H new ATOM 213 N TRP A 13 -7.303 4.184 -2.651 1.00 0.00 N ATOM 214 CA TRP A 13 -7.457 4.173 -1.194 1.00 0.00 C ATOM 215 C TRP A 13 -8.885 4.529 -0.756 1.00 0.00 C ATOM 216 O TRP A 13 -9.430 3.917 0.161 1.00 0.00 O ATOM 217 CB TRP A 13 -6.457 5.146 -0.563 1.00 0.00 C ATOM 218 CG TRP A 13 -6.528 5.203 0.935 1.00 0.00 C ATOM 219 CD1 TRP A 13 -6.700 6.318 1.704 1.00 0.00 C ATOM 220 CD2 TRP A 13 -6.441 4.098 1.845 1.00 0.00 C ATOM 221 NE1 TRP A 13 -6.702 5.977 3.031 1.00 0.00 N ATOM 222 CE2 TRP A 13 -6.549 4.620 3.145 1.00 0.00 C ATOM 223 CE3 TRP A 13 -6.275 2.717 1.687 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -6.499 3.813 4.281 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -6.227 1.919 2.813 1.00 0.00 C ATOM 226 CH2 TRP A 13 -6.338 2.468 4.095 1.00 0.00 C ATOM 0 H TRP A 13 -6.739 4.956 -3.007 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.258 3.158 -0.849 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -5.448 4.858 -0.859 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.634 6.144 -0.964 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.817 7.321 1.322 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -6.801 6.629 3.809 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.186 2.283 0.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.584 4.235 5.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.102 0.852 2.702 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -6.296 1.816 4.955 1.00 0.00 H new ATOM 237 N ASP A 14 -9.485 5.518 -1.411 1.00 0.00 N ATOM 238 CA ASP A 14 -10.841 5.961 -1.068 1.00 0.00 C ATOM 239 C ASP A 14 -11.857 4.843 -1.321 1.00 0.00 C ATOM 240 O ASP A 14 -12.647 4.488 -0.443 1.00 0.00 O ATOM 241 CB ASP A 14 -11.216 7.186 -1.904 1.00 0.00 C ATOM 242 CG ASP A 14 -12.430 7.913 -1.358 1.00 0.00 C ATOM 243 OD1 ASP A 14 -12.342 8.461 -0.241 1.00 0.00 O ATOM 244 OD2 ASP A 14 -13.473 7.946 -2.043 1.00 0.00 O ATOM 0 H ASP A 14 -9.058 6.031 -2.182 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.859 6.220 -0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.370 7.872 -1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.414 6.875 -2.930 1.00 0.00 H new ATOM 249 N ALA A 15 -11.822 4.304 -2.537 1.00 0.00 N ATOM 250 CA ALA A 15 -12.671 3.180 -2.923 1.00 0.00 C ATOM 251 C ALA A 15 -12.517 2.013 -1.942 1.00 0.00 C ATOM 252 O ALA A 15 -13.502 1.496 -1.418 1.00 0.00 O ATOM 253 CB ALA A 15 -12.317 2.741 -4.335 1.00 0.00 C ATOM 0 H ALA A 15 -11.206 4.633 -3.281 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.713 3.500 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.950 1.902 -4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.476 3.570 -5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.271 2.436 -4.370 1.00 0.00 H new ATOM 259 N ALA A 16 -11.268 1.624 -1.681 1.00 0.00 N ATOM 260 CA ALA A 16 -10.970 0.565 -0.716 1.00 0.00 C ATOM 261 C ALA A 16 -11.512 0.905 0.678 1.00 0.00 C ATOM 262 O ALA A 16 -12.091 0.055 1.351 1.00 0.00 O ATOM 263 CB ALA A 16 -9.468 0.328 -0.647 1.00 0.00 C ATOM 0 H ALA A 16 -10.444 2.028 -2.126 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.465 -0.345 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.257 -0.462 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.101 0.030 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.969 1.246 -0.336 1.00 0.00 H new ATOM 269 N LYS A 17 -11.327 2.156 1.098 1.00 0.00 N ATOM 270 CA LYS A 17 -11.801 2.623 2.405 1.00 0.00 C ATOM 271 C LYS A 17 -13.333 2.516 2.514 1.00 0.00 C ATOM 272 O LYS A 17 -13.870 2.145 3.561 1.00 0.00 O ATOM 273 CB LYS A 17 -11.347 4.072 2.646 1.00 0.00 C ATOM 274 CG LYS A 17 -11.739 4.621 4.015 1.00 0.00 C ATOM 275 CD LYS A 17 -11.214 6.038 4.253 1.00 0.00 C ATOM 276 CE LYS A 17 -9.693 6.109 4.203 1.00 0.00 C ATOM 277 NZ LYS A 17 -9.176 7.315 4.904 1.00 0.00 N ATOM 0 H LYS A 17 -10.849 2.871 0.549 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.366 1.982 3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.263 4.126 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.775 4.710 1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.825 4.620 4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.354 3.960 4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.631 6.708 3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.560 6.393 5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.272 5.214 4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.363 6.122 3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.139 7.339 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.572 8.169 4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.455 7.281 5.905 1.00 0.00 H new ATOM 291 N ALA A 18 -14.029 2.842 1.426 1.00 0.00 N ATOM 292 CA ALA A 18 -15.490 2.704 1.365 1.00 0.00 C ATOM 293 C ALA A 18 -15.905 1.229 1.263 1.00 0.00 C ATOM 294 O ALA A 18 -16.948 0.823 1.781 1.00 0.00 O ATOM 295 CB ALA A 18 -16.041 3.494 0.185 1.00 0.00 C ATOM 0 H ALA A 18 -13.607 3.205 0.571 1.00 0.00 H new ATOM 0 HA ALA A 18 -15.909 3.106 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.125 3.385 0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.786 4.547 0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.607 3.116 -0.741 1.00 0.00 H new ATOM 301 N GLN A 19 -15.079 0.436 0.582 1.00 0.00 N ATOM 302 CA GLN A 19 -15.294 -1.012 0.457 1.00 0.00 C ATOM 303 C GLN A 19 -14.942 -1.747 1.756 1.00 0.00 C ATOM 304 O GLN A 19 -15.435 -2.846 2.017 1.00 0.00 O ATOM 305 CB GLN A 19 -14.443 -1.570 -0.695 1.00 0.00 C ATOM 306 CG GLN A 19 -14.926 -1.138 -2.072 1.00 0.00 C ATOM 307 CD GLN A 19 -13.936 -1.430 -3.193 1.00 0.00 C ATOM 308 OE1 GLN A 19 -13.877 -0.715 -4.187 1.00 0.00 O ATOM 309 NE2 GLN A 19 -13.152 -2.478 -3.054 1.00 0.00 N ATOM 0 H GLN A 19 -14.245 0.773 0.102 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.352 -1.175 0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.411 -1.247 -0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.445 -2.659 -0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.867 -1.643 -2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.134 -0.068 -2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.220 -3.058 -2.218 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.477 -2.710 -3.783 1.00 0.00 H new ATOM 318 N GLY A 20 -14.078 -1.137 2.559 1.00 0.00 N ATOM 319 CA GLY A 20 -13.603 -1.773 3.779 1.00 0.00 C ATOM 320 C GLY A 20 -12.423 -2.706 3.530 1.00 0.00 C ATOM 321 O GLY A 20 -11.769 -3.155 4.475 1.00 0.00 O ATOM 0 H GLY A 20 -13.694 -0.208 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.310 -1.005 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.418 -2.337 4.232 1.00 0.00 H new ATOM 325 N ARG A 21 -12.127 -2.985 2.255 1.00 0.00 N ATOM 326 CA ARG A 21 -11.036 -3.907 1.915 1.00 0.00 C ATOM 327 C ARG A 21 -10.526 -3.707 0.478 1.00 0.00 C ATOM 328 O ARG A 21 -11.306 -3.449 -0.440 1.00 0.00 O ATOM 329 CB ARG A 21 -11.511 -5.356 2.107 1.00 0.00 C ATOM 330 CG ARG A 21 -12.625 -5.783 1.149 1.00 0.00 C ATOM 331 CD ARG A 21 -13.319 -7.058 1.619 1.00 0.00 C ATOM 332 NE ARG A 21 -14.140 -6.818 2.805 1.00 0.00 N ATOM 333 CZ ARG A 21 -14.255 -7.637 3.814 1.00 0.00 C ATOM 334 NH1 ARG A 21 -13.625 -8.770 3.828 1.00 0.00 N ATOM 335 NH2 ARG A 21 -15.014 -7.317 4.806 1.00 0.00 N ATOM 0 H ARG A 21 -12.619 -2.593 1.452 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.202 -3.693 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.660 -6.025 1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.861 -5.479 3.132 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.358 -4.981 1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.208 -5.942 0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.944 -7.450 0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.571 -7.819 1.841 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.663 -5.943 2.847 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.029 -9.032 3.043 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.725 -9.399 4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.518 -6.430 4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.110 -7.951 5.599 1.00 0.00 H new ATOM 349 N PHE A 22 -9.209 -3.819 0.297 1.00 0.00 N ATOM 350 CA PHE A 22 -8.599 -3.794 -1.035 1.00 0.00 C ATOM 351 C PHE A 22 -7.828 -5.086 -1.326 1.00 0.00 C ATOM 352 O PHE A 22 -6.836 -5.401 -0.672 1.00 0.00 O ATOM 353 CB PHE A 22 -7.688 -2.567 -1.234 1.00 0.00 C ATOM 354 CG PHE A 22 -6.741 -2.232 -0.109 1.00 0.00 C ATOM 355 CD1 PHE A 22 -7.219 -1.853 1.137 1.00 0.00 C ATOM 356 CD2 PHE A 22 -5.367 -2.260 -0.313 1.00 0.00 C ATOM 357 CE1 PHE A 22 -6.352 -1.514 2.154 1.00 0.00 C ATOM 358 CE2 PHE A 22 -4.497 -1.915 0.698 1.00 0.00 C ATOM 359 CZ PHE A 22 -4.990 -1.543 1.934 1.00 0.00 C ATOM 0 H PHE A 22 -8.541 -3.928 1.060 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.419 -3.717 -1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.099 -2.724 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.322 -1.699 -1.414 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.284 -1.823 1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.976 -2.556 -1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.738 -1.226 3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.431 -1.935 0.525 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.309 -1.275 2.728 1.00 0.00 H new ATOM 369 N GLU A 23 -8.296 -5.826 -2.327 1.00 0.00 N ATOM 370 CA GLU A 23 -7.665 -7.089 -2.733 1.00 0.00 C ATOM 371 C GLU A 23 -6.380 -6.853 -3.546 1.00 0.00 C ATOM 372 O GLU A 23 -5.735 -7.797 -4.000 1.00 0.00 O ATOM 373 CB GLU A 23 -8.673 -7.933 -3.527 1.00 0.00 C ATOM 374 CG GLU A 23 -9.243 -7.225 -4.755 1.00 0.00 C ATOM 375 CD GLU A 23 -10.442 -7.955 -5.347 1.00 0.00 C ATOM 376 OE1 GLU A 23 -10.244 -8.923 -6.108 1.00 0.00 O ATOM 377 OE2 GLU A 23 -11.592 -7.568 -5.041 1.00 0.00 O ATOM 0 H GLU A 23 -9.116 -5.575 -2.879 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.372 -7.631 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.188 -8.856 -3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.495 -8.215 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.538 -6.212 -4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.465 -7.137 -5.513 1.00 0.00 H new ATOM 384 N GLY A 24 -6.012 -5.584 -3.712 1.00 0.00 N ATOM 385 CA GLY A 24 -4.788 -5.234 -4.421 1.00 0.00 C ATOM 386 C GLY A 24 -5.011 -4.192 -5.508 1.00 0.00 C ATOM 387 O GLY A 24 -6.149 -3.900 -5.878 1.00 0.00 O ATOM 0 H GLY A 24 -6.543 -4.785 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.056 -4.856 -3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.363 -6.133 -4.868 1.00 0.00 H new ATOM 391 N SER A 25 -3.922 -3.615 -6.008 1.00 0.00 N ATOM 392 CA SER A 25 -3.990 -2.663 -7.127 1.00 0.00 C ATOM 393 C SER A 25 -4.219 -3.401 -8.457 1.00 0.00 C ATOM 394 O SER A 25 -4.248 -4.632 -8.492 1.00 0.00 O ATOM 395 CB SER A 25 -2.693 -1.842 -7.208 1.00 0.00 C ATOM 396 OG SER A 25 -2.465 -1.105 -6.014 1.00 0.00 O ATOM 0 H SER A 25 -2.979 -3.786 -5.660 1.00 0.00 H new ATOM 0 HA SER A 25 -4.830 -1.991 -6.950 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.850 -2.509 -7.391 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.747 -1.157 -8.054 1.00 0.00 H new ATOM 0 HG SER A 25 -2.873 -0.218 -6.094 1.00 0.00 H new ATOM 402 N ALA A 26 -4.373 -2.650 -9.550 1.00 0.00 N ATOM 403 CA ALA A 26 -4.573 -3.251 -10.879 1.00 0.00 C ATOM 404 C ALA A 26 -3.437 -4.227 -11.225 1.00 0.00 C ATOM 405 O ALA A 26 -3.678 -5.385 -11.575 1.00 0.00 O ATOM 406 CB ALA A 26 -4.682 -2.159 -11.942 1.00 0.00 C ATOM 0 H ALA A 26 -4.364 -1.630 -9.546 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.504 -3.817 -10.858 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.830 -2.617 -12.920 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.528 -1.511 -11.713 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.766 -1.569 -11.952 1.00 0.00 H new ATOM 412 N VAL A 27 -2.199 -3.747 -11.113 1.00 0.00 N ATOM 413 CA VAL A 27 -1.012 -4.586 -11.320 1.00 0.00 C ATOM 414 C VAL A 27 -1.022 -5.810 -10.384 1.00 0.00 C ATOM 415 O VAL A 27 -0.854 -6.948 -10.827 1.00 0.00 O ATOM 416 CB VAL A 27 0.290 -3.771 -11.081 1.00 0.00 C ATOM 417 CG1 VAL A 27 1.535 -4.638 -11.278 1.00 0.00 C ATOM 418 CG2 VAL A 27 0.334 -2.547 -11.995 1.00 0.00 C ATOM 0 H VAL A 27 -1.988 -2.777 -10.879 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.038 -4.931 -12.354 1.00 0.00 H new ATOM 0 HB VAL A 27 0.284 -3.430 -10.046 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.428 -4.038 -11.103 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.514 -5.470 -10.574 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.551 -5.025 -12.297 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.253 -1.990 -11.813 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.305 -2.869 -13.036 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.525 -1.908 -11.789 1.00 0.00 H new ATOM 428 N ASP A 28 -1.240 -5.550 -9.095 1.00 0.00 N ATOM 429 CA ASP A 28 -1.254 -6.587 -8.055 1.00 0.00 C ATOM 430 C ASP A 28 -2.205 -7.742 -8.408 1.00 0.00 C ATOM 431 O ASP A 28 -1.789 -8.894 -8.540 1.00 0.00 O ATOM 432 CB ASP A 28 -1.688 -5.972 -6.713 1.00 0.00 C ATOM 433 CG ASP A 28 -0.879 -4.749 -6.298 1.00 0.00 C ATOM 434 OD1 ASP A 28 -0.121 -4.200 -7.123 1.00 0.00 O ATOM 435 OD2 ASP A 28 -1.020 -4.312 -5.138 1.00 0.00 O ATOM 0 H ASP A 28 -1.413 -4.610 -8.738 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.244 -6.989 -7.981 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.740 -5.694 -6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.605 -6.730 -5.934 1.00 0.00 H new ATOM 440 N LEU A 29 -3.487 -7.413 -8.563 1.00 0.00 N ATOM 441 CA LEU A 29 -4.518 -8.407 -8.870 1.00 0.00 C ATOM 442 C LEU A 29 -4.214 -9.135 -10.192 1.00 0.00 C ATOM 443 O LEU A 29 -4.598 -10.292 -10.380 1.00 0.00 O ATOM 444 CB LEU A 29 -5.896 -7.724 -8.942 1.00 0.00 C ATOM 445 CG LEU A 29 -7.105 -8.672 -9.043 1.00 0.00 C ATOM 446 CD1 LEU A 29 -7.239 -9.518 -7.777 1.00 0.00 C ATOM 447 CD2 LEU A 29 -8.390 -7.886 -9.307 1.00 0.00 C ATOM 0 H LEU A 29 -3.839 -6.459 -8.481 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.525 -9.151 -8.073 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.019 -7.101 -8.056 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.907 -7.058 -9.805 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.938 -9.344 -9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.100 -10.180 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.336 -10.114 -7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.376 -8.864 -6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.231 -8.576 -9.375 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.561 -7.184 -8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.295 -7.337 -10.244 1.00 0.00 H new ATOM 459 N ALA A 30 -3.512 -8.450 -11.099 1.00 0.00 N ATOM 460 CA ALA A 30 -3.164 -9.010 -12.410 1.00 0.00 C ATOM 461 C ALA A 30 -2.146 -10.164 -12.315 1.00 0.00 C ATOM 462 O ALA A 30 -2.324 -11.205 -12.952 1.00 0.00 O ATOM 463 CB ALA A 30 -2.637 -7.905 -13.322 1.00 0.00 C ATOM 0 H ALA A 30 -3.171 -7.500 -10.949 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.075 -9.433 -12.834 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.380 -8.327 -14.294 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.404 -7.141 -13.449 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.750 -7.457 -12.875 1.00 0.00 H new ATOM 469 N ASP A 31 -1.076 -9.988 -11.531 1.00 0.00 N ATOM 470 CA ASP A 31 -0.037 -11.026 -11.425 1.00 0.00 C ATOM 471 C ASP A 31 -0.341 -12.051 -10.321 1.00 0.00 C ATOM 472 O ASP A 31 0.025 -13.225 -10.444 1.00 0.00 O ATOM 473 CB ASP A 31 1.362 -10.416 -11.235 1.00 0.00 C ATOM 474 CG ASP A 31 1.432 -9.345 -10.163 1.00 0.00 C ATOM 475 OD1 ASP A 31 1.168 -9.645 -8.982 1.00 0.00 O ATOM 476 OD2 ASP A 31 1.794 -8.197 -10.498 1.00 0.00 O ATOM 0 H ASP A 31 -0.906 -9.154 -10.969 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.045 -11.562 -12.374 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.062 -11.212 -10.984 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.692 -9.989 -12.182 1.00 0.00 H new ATOM 481 N GLY A 32 -0.996 -11.621 -9.242 1.00 0.00 N ATOM 482 CA GLY A 32 -1.411 -12.567 -8.210 1.00 0.00 C ATOM 483 C GLY A 32 -1.609 -11.950 -6.828 1.00 0.00 C ATOM 484 O GLY A 32 -2.731 -11.911 -6.312 1.00 0.00 O ATOM 0 H GLY A 32 -1.245 -10.648 -9.063 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.344 -13.038 -8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.664 -13.357 -8.137 1.00 0.00 H new ATOM 488 N PHE A 33 -0.523 -11.477 -6.222 1.00 0.00 N ATOM 489 CA PHE A 33 -0.556 -11.017 -4.828 1.00 0.00 C ATOM 490 C PHE A 33 -0.361 -9.499 -4.712 1.00 0.00 C ATOM 491 O PHE A 33 0.125 -8.843 -5.633 1.00 0.00 O ATOM 492 CB PHE A 33 0.519 -11.742 -4.005 1.00 0.00 C ATOM 493 CG PHE A 33 0.409 -13.247 -4.058 1.00 0.00 C ATOM 494 CD1 PHE A 33 -0.593 -13.908 -3.359 1.00 0.00 C ATOM 495 CD2 PHE A 33 1.305 -13.999 -4.807 1.00 0.00 C ATOM 496 CE1 PHE A 33 -0.697 -15.285 -3.405 1.00 0.00 C ATOM 497 CE2 PHE A 33 1.204 -15.378 -4.854 1.00 0.00 C ATOM 498 CZ PHE A 33 0.201 -16.022 -4.153 1.00 0.00 C ATOM 0 H PHE A 33 0.391 -11.401 -6.669 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.545 -11.254 -4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.503 -11.445 -4.367 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.450 -11.417 -2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.299 -13.339 -2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.089 -13.502 -5.359 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.481 -15.786 -2.856 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.908 -15.951 -5.438 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.120 -17.098 -4.190 1.00 0.00 H new ATOM 508 N ILE A 34 -0.731 -8.955 -3.559 1.00 0.00 N ATOM 509 CA ILE A 34 -0.618 -7.516 -3.305 1.00 0.00 C ATOM 510 C ILE A 34 0.852 -7.064 -3.250 1.00 0.00 C ATOM 511 O ILE A 34 1.698 -7.727 -2.642 1.00 0.00 O ATOM 512 CB ILE A 34 -1.327 -7.141 -1.981 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.803 -7.578 -2.030 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.209 -5.641 -1.693 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.577 -7.282 -0.763 1.00 0.00 C ATOM 0 H ILE A 34 -1.114 -9.488 -2.779 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.103 -7.001 -4.134 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.833 -7.670 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.291 -7.078 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.847 -8.649 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.717 -5.409 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.157 -5.368 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.669 -5.077 -2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.607 -7.620 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.116 -7.804 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.566 -6.209 -0.573 1.00 0.00 H new ATOM 527 N HIS A 35 1.151 -5.935 -3.892 1.00 0.00 N ATOM 528 CA HIS A 35 2.520 -5.407 -3.950 1.00 0.00 C ATOM 529 C HIS A 35 2.799 -4.420 -2.808 1.00 0.00 C ATOM 530 O HIS A 35 2.131 -3.394 -2.679 1.00 0.00 O ATOM 531 CB HIS A 35 2.769 -4.719 -5.299 1.00 0.00 C ATOM 532 CG HIS A 35 2.793 -5.659 -6.468 1.00 0.00 C ATOM 533 ND1 HIS A 35 3.753 -5.607 -7.455 1.00 0.00 N ATOM 534 CD2 HIS A 35 1.962 -6.670 -6.816 1.00 0.00 C ATOM 535 CE1 HIS A 35 3.510 -6.537 -8.355 1.00 0.00 C ATOM 536 NE2 HIS A 35 2.431 -7.196 -7.992 1.00 0.00 N ATOM 0 H HIS A 35 0.462 -5.364 -4.382 1.00 0.00 H new ATOM 0 HA HIS A 35 3.199 -6.252 -3.840 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.993 -3.972 -5.463 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.719 -4.187 -5.254 1.00 0.00 H new ATOM 0 HD1 HIS A 35 4.532 -4.949 -7.484 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.092 -7.001 -6.269 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.097 -6.727 -9.241 1.00 0.00 H new ATOM 545 N LEU A 36 3.788 -4.746 -1.986 1.00 0.00 N ATOM 546 CA LEU A 36 4.233 -3.867 -0.905 1.00 0.00 C ATOM 547 C LEU A 36 5.689 -3.434 -1.139 1.00 0.00 C ATOM 548 O LEU A 36 6.374 -3.969 -2.012 1.00 0.00 O ATOM 549 CB LEU A 36 4.103 -4.590 0.444 1.00 0.00 C ATOM 550 CG LEU A 36 2.690 -5.106 0.780 1.00 0.00 C ATOM 551 CD1 LEU A 36 2.706 -5.960 2.046 1.00 0.00 C ATOM 552 CD2 LEU A 36 1.709 -3.943 0.929 1.00 0.00 C ATOM 0 H LEU A 36 4.305 -5.623 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 36 3.604 -2.977 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.792 -5.434 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.421 -3.910 1.234 1.00 0.00 H new ATOM 0 HG LEU A 36 2.357 -5.732 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.697 -6.311 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.365 -6.816 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.068 -5.363 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.718 -4.331 1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.043 -3.286 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.665 -3.382 -0.005 1.00 0.00 H new ATOM 564 N SER A 37 6.161 -2.466 -0.368 1.00 0.00 N ATOM 565 CA SER A 37 7.540 -1.977 -0.503 1.00 0.00 C ATOM 566 C SER A 37 8.181 -1.709 0.859 1.00 0.00 C ATOM 567 O SER A 37 7.492 -1.452 1.846 1.00 0.00 O ATOM 568 CB SER A 37 7.581 -0.702 -1.354 1.00 0.00 C ATOM 569 OG SER A 37 7.241 -0.970 -2.705 1.00 0.00 O ATOM 0 H SER A 37 5.617 -2.000 0.358 1.00 0.00 H new ATOM 0 HA SER A 37 8.112 -2.760 -1.000 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.890 0.034 -0.943 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.578 -0.264 -1.308 1.00 0.00 H new ATOM 0 HG SER A 37 7.274 -0.138 -3.222 1.00 0.00 H new ATOM 575 N ALA A 38 9.511 -1.771 0.900 1.00 0.00 N ATOM 576 CA ALA A 38 10.265 -1.544 2.137 1.00 0.00 C ATOM 577 C ALA A 38 11.107 -0.258 2.056 1.00 0.00 C ATOM 578 O ALA A 38 12.042 -0.171 1.254 1.00 0.00 O ATOM 579 CB ALA A 38 11.158 -2.748 2.428 1.00 0.00 C ATOM 0 H ALA A 38 10.093 -1.977 0.088 1.00 0.00 H new ATOM 0 HA ALA A 38 9.552 -1.420 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.716 -2.573 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.541 -3.640 2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.855 -2.892 1.603 1.00 0.00 H new ATOM 585 N GLY A 39 10.752 0.736 2.877 1.00 0.00 N ATOM 586 CA GLY A 39 11.487 2.004 2.930 1.00 0.00 C ATOM 587 C GLY A 39 11.808 2.604 1.561 1.00 0.00 C ATOM 588 O GLY A 39 10.920 3.110 0.869 1.00 0.00 O ATOM 0 H GLY A 39 9.958 0.686 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.903 2.725 3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.419 1.847 3.473 1.00 0.00 H new ATOM 592 N GLU A 40 13.084 2.531 1.175 1.00 0.00 N ATOM 593 CA GLU A 40 13.572 3.093 -0.096 1.00 0.00 C ATOM 594 C GLU A 40 12.717 2.656 -1.298 1.00 0.00 C ATOM 595 O GLU A 40 12.319 3.478 -2.126 1.00 0.00 O ATOM 596 CB GLU A 40 15.031 2.665 -0.326 1.00 0.00 C ATOM 597 CG GLU A 40 15.621 3.149 -1.649 1.00 0.00 C ATOM 598 CD GLU A 40 17.022 2.615 -1.899 1.00 0.00 C ATOM 599 OE1 GLU A 40 17.153 1.488 -2.417 1.00 0.00 O ATOM 600 OE2 GLU A 40 18.004 3.317 -1.577 1.00 0.00 O ATOM 0 H GLU A 40 13.811 2.082 1.731 1.00 0.00 H new ATOM 0 HA GLU A 40 13.501 4.178 -0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.643 3.044 0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.089 1.577 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.969 2.842 -2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.646 4.239 -1.653 1.00 0.00 H new ATOM 607 N GLN A 41 12.423 1.359 -1.377 1.00 0.00 N ATOM 608 CA GLN A 41 11.687 0.795 -2.518 1.00 0.00 C ATOM 609 C GLN A 41 10.319 1.470 -2.723 1.00 0.00 C ATOM 610 O GLN A 41 9.789 1.490 -3.834 1.00 0.00 O ATOM 611 CB GLN A 41 11.508 -0.717 -2.334 1.00 0.00 C ATOM 612 CG GLN A 41 12.830 -1.480 -2.270 1.00 0.00 C ATOM 613 CD GLN A 41 12.657 -2.978 -2.059 1.00 0.00 C ATOM 614 OE1 GLN A 41 13.498 -3.628 -1.452 1.00 0.00 O ATOM 615 NE2 GLN A 41 11.578 -3.545 -2.567 1.00 0.00 N ATOM 0 H GLN A 41 12.682 0.675 -0.666 1.00 0.00 H new ATOM 0 HA GLN A 41 12.279 0.987 -3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.946 -0.900 -1.418 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.911 -1.108 -3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.382 -1.313 -3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.436 -1.074 -1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.893 -2.980 -3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.430 -4.548 -2.458 1.00 0.00 H new ATOM 624 N ALA A 42 9.756 2.025 -1.650 1.00 0.00 N ATOM 625 CA ALA A 42 8.477 2.740 -1.733 1.00 0.00 C ATOM 626 C ALA A 42 8.642 4.080 -2.465 1.00 0.00 C ATOM 627 O ALA A 42 7.891 4.393 -3.391 1.00 0.00 O ATOM 628 CB ALA A 42 7.897 2.957 -0.336 1.00 0.00 C ATOM 0 H ALA A 42 10.162 1.995 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 42 7.781 2.128 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.949 3.488 -0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.734 1.992 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.594 3.545 0.260 1.00 0.00 H new ATOM 634 N GLN A 43 9.645 4.857 -2.057 1.00 0.00 N ATOM 635 CA GLN A 43 9.910 6.163 -2.670 1.00 0.00 C ATOM 636 C GLN A 43 10.351 6.001 -4.136 1.00 0.00 C ATOM 637 O GLN A 43 9.996 6.808 -5.000 1.00 0.00 O ATOM 638 CB GLN A 43 10.975 6.918 -1.861 1.00 0.00 C ATOM 639 CG GLN A 43 11.124 8.383 -2.251 1.00 0.00 C ATOM 640 CD GLN A 43 12.039 9.153 -1.313 1.00 0.00 C ATOM 641 OE1 GLN A 43 12.986 8.608 -0.751 1.00 0.00 O ATOM 642 NE2 GLN A 43 11.748 10.425 -1.115 1.00 0.00 N ATOM 0 H GLN A 43 10.288 4.607 -1.306 1.00 0.00 H new ATOM 0 HA GLN A 43 8.988 6.744 -2.661 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.723 6.858 -0.802 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.936 6.419 -1.989 1.00 0.00 H new ATOM 0 HG2 GLN A 43 11.516 8.446 -3.266 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.141 8.854 -2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.955 10.848 -1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.316 10.985 -0.480 1.00 0.00 H new ATOM 651 N GLU A 44 11.122 4.948 -4.407 1.00 0.00 N ATOM 652 CA GLU A 44 11.514 4.605 -5.779 1.00 0.00 C ATOM 653 C GLU A 44 10.281 4.303 -6.647 1.00 0.00 C ATOM 654 O GLU A 44 10.108 4.888 -7.719 1.00 0.00 O ATOM 655 CB GLU A 44 12.467 3.399 -5.773 1.00 0.00 C ATOM 656 CG GLU A 44 13.836 3.688 -5.160 1.00 0.00 C ATOM 657 CD GLU A 44 14.656 4.675 -5.981 1.00 0.00 C ATOM 658 OE1 GLU A 44 15.333 4.236 -6.938 1.00 0.00 O ATOM 659 OE2 GLU A 44 14.626 5.886 -5.679 1.00 0.00 O ATOM 0 H GLU A 44 11.489 4.316 -3.696 1.00 0.00 H new ATOM 0 HA GLU A 44 12.030 5.464 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.999 2.583 -5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.605 3.054 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.702 4.084 -4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.390 2.754 -5.064 1.00 0.00 H new ATOM 666 N THR A 45 9.418 3.397 -6.177 1.00 0.00 N ATOM 667 CA THR A 45 8.171 3.075 -6.889 1.00 0.00 C ATOM 668 C THR A 45 7.306 4.326 -7.082 1.00 0.00 C ATOM 669 O THR A 45 6.604 4.458 -8.083 1.00 0.00 O ATOM 670 CB THR A 45 7.338 1.998 -6.150 1.00 0.00 C ATOM 671 OG1 THR A 45 8.116 0.803 -5.993 1.00 0.00 O ATOM 672 CG2 THR A 45 6.050 1.674 -6.912 1.00 0.00 C ATOM 0 H THR A 45 9.556 2.875 -5.312 1.00 0.00 H new ATOM 0 HA THR A 45 8.467 2.680 -7.861 1.00 0.00 H new ATOM 0 HB THR A 45 7.068 2.393 -5.171 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.751 0.921 -5.256 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.487 0.915 -6.369 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.446 2.576 -7.006 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.299 1.299 -7.905 1.00 0.00 H new ATOM 680 N ALA A 46 7.360 5.242 -6.119 1.00 0.00 N ATOM 681 CA ALA A 46 6.673 6.527 -6.244 1.00 0.00 C ATOM 682 C ALA A 46 7.189 7.307 -7.462 1.00 0.00 C ATOM 683 O ALA A 46 6.419 7.692 -8.336 1.00 0.00 O ATOM 684 CB ALA A 46 6.846 7.348 -4.972 1.00 0.00 C ATOM 0 H ALA A 46 7.871 5.120 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 46 5.611 6.333 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.329 8.301 -5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.426 6.802 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.907 7.528 -4.797 1.00 0.00 H new ATOM 690 N ALA A 47 8.504 7.509 -7.526 1.00 0.00 N ATOM 691 CA ALA A 47 9.130 8.215 -8.654 1.00 0.00 C ATOM 692 C ALA A 47 8.873 7.500 -9.997 1.00 0.00 C ATOM 693 O ALA A 47 8.807 8.136 -11.055 1.00 0.00 O ATOM 694 CB ALA A 47 10.630 8.364 -8.407 1.00 0.00 C ATOM 0 H ALA A 47 9.161 7.195 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 47 8.675 9.203 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.087 8.888 -9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.793 8.933 -7.492 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.082 7.377 -8.306 1.00 0.00 H new ATOM 700 N LYS A 48 8.735 6.177 -9.944 1.00 0.00 N ATOM 701 CA LYS A 48 8.464 5.367 -11.130 1.00 0.00 C ATOM 702 C LYS A 48 6.991 5.463 -11.579 1.00 0.00 C ATOM 703 O LYS A 48 6.704 5.648 -12.764 1.00 0.00 O ATOM 704 CB LYS A 48 8.818 3.904 -10.834 1.00 0.00 C ATOM 705 CG LYS A 48 10.304 3.652 -10.586 1.00 0.00 C ATOM 706 CD LYS A 48 10.571 2.196 -10.207 1.00 0.00 C ATOM 707 CE LYS A 48 12.057 1.924 -9.988 1.00 0.00 C ATOM 708 NZ LYS A 48 12.847 2.071 -11.241 1.00 0.00 N ATOM 0 H LYS A 48 8.807 5.638 -9.081 1.00 0.00 H new ATOM 0 HA LYS A 48 9.078 5.752 -11.944 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.256 3.577 -9.960 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.492 3.287 -11.672 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.871 3.906 -11.482 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.657 4.307 -9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.020 1.951 -9.299 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.195 1.542 -10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.443 2.611 -9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.186 0.915 -9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.812 1.716 -11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.395 1.526 -12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.887 3.075 -11.511 1.00 0.00 H new ATOM 722 N TRP A 49 6.067 5.333 -10.626 1.00 0.00 N ATOM 723 CA TRP A 49 4.625 5.274 -10.924 1.00 0.00 C ATOM 724 C TRP A 49 3.875 6.537 -10.451 1.00 0.00 C ATOM 725 O TRP A 49 3.230 7.234 -11.238 1.00 0.00 O ATOM 726 CB TRP A 49 4.001 4.035 -10.258 1.00 0.00 C ATOM 727 CG TRP A 49 4.548 2.723 -10.761 1.00 0.00 C ATOM 728 CD1 TRP A 49 5.739 2.143 -10.424 1.00 0.00 C ATOM 729 CD2 TRP A 49 3.919 1.827 -11.687 1.00 0.00 C ATOM 730 NE1 TRP A 49 5.887 0.947 -11.083 1.00 0.00 N ATOM 731 CE2 TRP A 49 4.783 0.731 -11.864 1.00 0.00 C ATOM 732 CE3 TRP A 49 2.707 1.845 -12.382 1.00 0.00 C ATOM 733 CZ2 TRP A 49 4.475 -0.334 -12.708 1.00 0.00 C ATOM 734 CZ3 TRP A 49 2.403 0.789 -13.218 1.00 0.00 C ATOM 735 CH2 TRP A 49 3.282 -0.288 -13.374 1.00 0.00 C ATOM 0 H TRP A 49 6.288 5.266 -9.633 1.00 0.00 H new ATOM 0 HA TRP A 49 4.525 5.213 -12.008 1.00 0.00 H new ATOM 0 HB2 TRP A 49 4.162 4.095 -9.182 1.00 0.00 H new ATOM 0 HB3 TRP A 49 2.923 4.053 -10.420 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.460 2.564 -9.739 1.00 0.00 H new ATOM 0 HE1 TRP A 49 6.689 0.321 -11.004 1.00 0.00 H new ATOM 0 HE3 TRP A 49 2.020 2.670 -12.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.154 -1.165 -12.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.470 0.795 -13.761 1.00 0.00 H new ATOM 0 HH2 TRP A 49 3.013 -1.099 -14.034 1.00 0.00 H new ATOM 746 N PHE A 50 3.969 6.831 -9.159 1.00 0.00 N ATOM 747 CA PHE A 50 3.188 7.910 -8.542 1.00 0.00 C ATOM 748 C PHE A 50 3.995 9.217 -8.479 1.00 0.00 C ATOM 749 O PHE A 50 4.250 9.763 -7.405 1.00 0.00 O ATOM 750 CB PHE A 50 2.738 7.478 -7.139 1.00 0.00 C ATOM 751 CG PHE A 50 1.966 6.180 -7.135 1.00 0.00 C ATOM 752 CD1 PHE A 50 0.597 6.168 -7.368 1.00 0.00 C ATOM 753 CD2 PHE A 50 2.612 4.971 -6.912 1.00 0.00 C ATOM 754 CE1 PHE A 50 -0.109 4.979 -7.377 1.00 0.00 C ATOM 755 CE2 PHE A 50 1.910 3.781 -6.917 1.00 0.00 C ATOM 756 CZ PHE A 50 0.549 3.785 -7.150 1.00 0.00 C ATOM 0 H PHE A 50 4.581 6.336 -8.510 1.00 0.00 H new ATOM 0 HA PHE A 50 2.309 8.101 -9.157 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.614 7.374 -6.499 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.118 8.263 -6.705 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.078 7.098 -7.544 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.677 4.961 -6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.173 4.983 -7.561 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.425 2.849 -6.739 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.001 2.856 -7.155 1.00 0.00 H new ATOM 766 N ARG A 51 4.386 9.710 -9.647 1.00 0.00 N ATOM 767 CA ARG A 51 5.266 10.880 -9.754 1.00 0.00 C ATOM 768 C ARG A 51 4.551 12.201 -9.404 1.00 0.00 C ATOM 769 O ARG A 51 5.156 13.120 -8.846 1.00 0.00 O ATOM 770 CB ARG A 51 5.849 10.933 -11.172 1.00 0.00 C ATOM 771 CG ARG A 51 6.935 11.983 -11.369 1.00 0.00 C ATOM 772 CD ARG A 51 7.677 11.767 -12.683 1.00 0.00 C ATOM 773 NE ARG A 51 8.280 10.433 -12.746 1.00 0.00 N ATOM 774 CZ ARG A 51 8.758 9.883 -13.829 1.00 0.00 C ATOM 775 NH1 ARG A 51 8.767 10.527 -14.953 1.00 0.00 N ATOM 776 NH2 ARG A 51 9.242 8.685 -13.772 1.00 0.00 N ATOM 0 H ARG A 51 4.107 9.317 -10.546 1.00 0.00 H new ATOM 0 HA ARG A 51 6.066 10.770 -9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.259 9.954 -11.420 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.041 11.128 -11.877 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.489 12.978 -11.359 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.640 11.941 -10.539 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.987 11.895 -13.517 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.454 12.524 -12.792 1.00 0.00 H new ATOM 0 HE ARG A 51 8.330 9.895 -11.881 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.397 11.477 -15.000 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.144 10.085 -15.791 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.248 8.179 -12.886 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.618 8.246 -14.613 1.00 0.00 H new ATOM 790 N GLY A 52 3.271 12.299 -9.740 1.00 0.00 N ATOM 791 CA GLY A 52 2.509 13.503 -9.417 1.00 0.00 C ATOM 792 C GLY A 52 1.076 13.483 -9.938 1.00 0.00 C ATOM 793 O GLY A 52 0.712 14.282 -10.801 1.00 0.00 O ATOM 0 H GLY A 52 2.744 11.574 -10.228 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.490 13.630 -8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.024 14.370 -9.831 1.00 0.00 H new ATOM 797 N GLN A 53 0.255 12.577 -9.408 1.00 0.00 N ATOM 798 CA GLN A 53 -1.159 12.493 -9.809 1.00 0.00 C ATOM 799 C GLN A 53 -2.093 13.101 -8.745 1.00 0.00 C ATOM 800 O GLN A 53 -3.280 12.774 -8.683 1.00 0.00 O ATOM 801 CB GLN A 53 -1.552 11.033 -10.108 1.00 0.00 C ATOM 802 CG GLN A 53 -0.906 10.451 -11.372 1.00 0.00 C ATOM 803 CD GLN A 53 0.517 9.945 -11.163 1.00 0.00 C ATOM 804 OE1 GLN A 53 1.486 10.689 -11.273 1.00 0.00 O ATOM 805 NE2 GLN A 53 0.654 8.662 -10.894 1.00 0.00 N ATOM 0 H GLN A 53 0.536 11.894 -8.705 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.277 13.080 -10.720 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.276 10.413 -9.255 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.636 10.974 -10.208 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.523 9.630 -11.738 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.899 11.215 -12.149 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.171 8.068 -10.808 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.585 8.263 -10.771 1.00 0.00 H new ATOM 814 N ALA A 54 -1.539 14.016 -7.947 1.00 0.00 N ATOM 815 CA ALA A 54 -2.275 14.737 -6.885 1.00 0.00 C ATOM 816 C ALA A 54 -2.967 13.801 -5.873 1.00 0.00 C ATOM 817 O ALA A 54 -3.836 13.008 -6.234 1.00 0.00 O ATOM 818 CB ALA A 54 -3.294 15.694 -7.497 1.00 0.00 C ATOM 0 H ALA A 54 -0.558 14.286 -8.014 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.528 15.301 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.826 16.216 -6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.779 16.420 -8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.005 15.131 -8.101 1.00 0.00 H new ATOM 824 N ASN A 55 -2.598 13.936 -4.595 1.00 0.00 N ATOM 825 CA ASN A 55 -3.115 13.073 -3.524 1.00 0.00 C ATOM 826 C ASN A 55 -2.681 11.616 -3.708 1.00 0.00 C ATOM 827 O ASN A 55 -3.357 10.815 -4.364 1.00 0.00 O ATOM 828 CB ASN A 55 -4.641 13.177 -3.403 1.00 0.00 C ATOM 829 CG ASN A 55 -5.092 14.522 -2.857 1.00 0.00 C ATOM 830 OD1 ASN A 55 -6.116 15.060 -3.266 1.00 0.00 O ATOM 831 ND2 ASN A 55 -4.361 15.062 -1.901 1.00 0.00 N ATOM 0 H ASN A 55 -1.936 14.642 -4.273 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.680 13.432 -2.591 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.092 13.017 -4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.005 12.383 -2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.643 15.949 -1.483 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.514 14.593 -1.580 1.00 0.00 H new ATOM 838 N LEU A 56 -1.526 11.300 -3.135 1.00 0.00 N ATOM 839 CA LEU A 56 -0.946 9.959 -3.192 1.00 0.00 C ATOM 840 C LEU A 56 -0.753 9.415 -1.768 1.00 0.00 C ATOM 841 O LEU A 56 0.077 9.917 -1.009 1.00 0.00 O ATOM 842 CB LEU A 56 0.394 10.013 -3.941 1.00 0.00 C ATOM 843 CG LEU A 56 0.312 10.587 -5.366 1.00 0.00 C ATOM 844 CD1 LEU A 56 1.707 10.810 -5.945 1.00 0.00 C ATOM 845 CD2 LEU A 56 -0.512 9.669 -6.271 1.00 0.00 C ATOM 0 H LEU A 56 -0.960 11.970 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.619 9.289 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.094 10.614 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.806 9.005 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.189 11.554 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.622 11.216 -6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.254 11.512 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.242 9.861 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.558 10.093 -7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.045 8.685 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.521 9.574 -5.871 1.00 0.00 H new ATOM 857 N VAL A 57 -1.530 8.401 -1.408 1.00 0.00 N ATOM 858 CA VAL A 57 -1.571 7.909 -0.030 1.00 0.00 C ATOM 859 C VAL A 57 -0.457 6.891 0.264 1.00 0.00 C ATOM 860 O VAL A 57 -0.263 5.923 -0.473 1.00 0.00 O ATOM 861 CB VAL A 57 -2.946 7.269 0.289 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.008 6.799 1.744 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.078 8.250 -0.022 1.00 0.00 C ATOM 0 H VAL A 57 -2.143 7.900 -2.051 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.413 8.777 0.610 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.071 6.392 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.983 6.354 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.228 6.058 1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.856 7.650 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.036 7.784 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.957 9.149 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.048 8.517 -1.078 1.00 0.00 H new ATOM 873 N LEU A 58 0.277 7.134 1.344 1.00 0.00 N ATOM 874 CA LEU A 58 1.271 6.189 1.851 1.00 0.00 C ATOM 875 C LEU A 58 0.671 5.344 2.985 1.00 0.00 C ATOM 876 O LEU A 58 0.303 5.871 4.041 1.00 0.00 O ATOM 877 CB LEU A 58 2.507 6.943 2.366 1.00 0.00 C ATOM 878 CG LEU A 58 3.606 6.067 3.000 1.00 0.00 C ATOM 879 CD1 LEU A 58 4.171 5.075 1.987 1.00 0.00 C ATOM 880 CD2 LEU A 58 4.720 6.932 3.588 1.00 0.00 C ATOM 0 H LEU A 58 0.202 7.990 1.894 1.00 0.00 H new ATOM 0 HA LEU A 58 1.570 5.530 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.944 7.498 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.182 7.677 3.104 1.00 0.00 H new ATOM 0 HG LEU A 58 3.152 5.498 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.944 4.471 2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.372 4.426 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.601 5.619 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.483 6.291 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.166 7.537 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.306 7.586 4.356 1.00 0.00 H new ATOM 892 N LEU A 59 0.548 4.041 2.755 1.00 0.00 N ATOM 893 CA LEU A 59 0.070 3.120 3.788 1.00 0.00 C ATOM 894 C LEU A 59 1.233 2.592 4.632 1.00 0.00 C ATOM 895 O LEU A 59 2.037 1.784 4.164 1.00 0.00 O ATOM 896 CB LEU A 59 -0.687 1.949 3.152 1.00 0.00 C ATOM 897 CG LEU A 59 -1.915 2.343 2.318 1.00 0.00 C ATOM 898 CD1 LEU A 59 -2.600 1.106 1.741 1.00 0.00 C ATOM 899 CD2 LEU A 59 -2.891 3.166 3.155 1.00 0.00 C ATOM 0 H LEU A 59 0.772 3.596 1.865 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.609 3.670 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.002 1.394 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.007 1.271 3.943 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.578 2.959 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.467 1.410 1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.900 0.567 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.923 0.456 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.754 3.436 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.220 2.579 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.396 4.072 3.505 1.00 0.00 H new ATOM 911 N ALA A 60 1.319 3.064 5.870 1.00 0.00 N ATOM 912 CA ALA A 60 2.355 2.620 6.804 1.00 0.00 C ATOM 913 C ALA A 60 1.770 1.655 7.838 1.00 0.00 C ATOM 914 O ALA A 60 1.116 2.070 8.798 1.00 0.00 O ATOM 915 CB ALA A 60 3.007 3.819 7.486 1.00 0.00 C ATOM 0 H ALA A 60 0.680 3.759 6.255 1.00 0.00 H new ATOM 0 HA ALA A 60 3.123 2.088 6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.775 3.471 8.177 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.461 4.463 6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.251 4.380 8.036 1.00 0.00 H new ATOM 921 N VAL A 61 1.991 0.362 7.626 1.00 0.00 N ATOM 922 CA VAL A 61 1.415 -0.672 8.489 1.00 0.00 C ATOM 923 C VAL A 61 2.499 -1.440 9.256 1.00 0.00 C ATOM 924 O VAL A 61 3.505 -1.862 8.679 1.00 0.00 O ATOM 925 CB VAL A 61 0.568 -1.679 7.667 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.088 -2.718 8.579 1.00 0.00 C ATOM 927 CG2 VAL A 61 -0.484 -0.948 6.834 1.00 0.00 C ATOM 0 H VAL A 61 2.565 0.001 6.864 1.00 0.00 H new ATOM 0 HA VAL A 61 0.774 -0.158 9.205 1.00 0.00 H new ATOM 0 HB VAL A 61 1.238 -2.205 6.986 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.676 -3.411 7.977 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.684 -3.269 9.117 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.740 -2.215 9.293 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.066 -1.673 6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.146 -0.388 7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.009 -0.260 6.147 1.00 0.00 H new ATOM 937 N GLU A 62 2.297 -1.606 10.563 1.00 0.00 N ATOM 938 CA GLU A 62 3.160 -2.471 11.366 1.00 0.00 C ATOM 939 C GLU A 62 2.874 -3.941 11.013 1.00 0.00 C ATOM 940 O GLU A 62 1.989 -4.573 11.590 1.00 0.00 O ATOM 941 CB GLU A 62 2.948 -2.187 12.861 1.00 0.00 C ATOM 942 CG GLU A 62 3.298 -0.750 13.248 1.00 0.00 C ATOM 943 CD GLU A 62 3.056 -0.432 14.717 1.00 0.00 C ATOM 944 OE1 GLU A 62 3.882 -0.834 15.564 1.00 0.00 O ATOM 945 OE2 GLU A 62 2.059 0.258 15.026 1.00 0.00 O ATOM 0 H GLU A 62 1.547 -1.155 11.086 1.00 0.00 H new ATOM 0 HA GLU A 62 4.207 -2.266 11.143 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.908 -2.385 13.119 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.558 -2.875 13.447 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.347 -0.566 13.014 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.710 -0.066 12.636 1.00 0.00 H new ATOM 952 N ALA A 63 3.650 -4.454 10.054 1.00 0.00 N ATOM 953 CA ALA A 63 3.340 -5.693 9.316 1.00 0.00 C ATOM 954 C ALA A 63 2.863 -6.868 10.181 1.00 0.00 C ATOM 955 O ALA A 63 1.716 -7.297 10.065 1.00 0.00 O ATOM 956 CB ALA A 63 4.559 -6.123 8.508 1.00 0.00 C ATOM 0 H ALA A 63 4.524 -4.018 9.761 1.00 0.00 H new ATOM 0 HA ALA A 63 2.497 -5.443 8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.330 -7.039 7.963 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.823 -5.336 7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.397 -6.302 9.181 1.00 0.00 H new ATOM 962 N GLU A 64 3.758 -7.390 11.025 1.00 0.00 N ATOM 963 CA GLU A 64 3.530 -8.661 11.733 1.00 0.00 C ATOM 964 C GLU A 64 3.545 -9.851 10.756 1.00 0.00 C ATOM 965 O GLU A 64 3.358 -9.686 9.549 1.00 0.00 O ATOM 966 CB GLU A 64 2.202 -8.655 12.518 1.00 0.00 C ATOM 967 CG GLU A 64 2.155 -7.646 13.656 1.00 0.00 C ATOM 968 CD GLU A 64 3.274 -7.849 14.662 1.00 0.00 C ATOM 969 OE1 GLU A 64 3.220 -8.831 15.430 1.00 0.00 O ATOM 970 OE2 GLU A 64 4.210 -7.026 14.692 1.00 0.00 O ATOM 0 H GLU A 64 4.654 -6.951 11.238 1.00 0.00 H new ATOM 0 HA GLU A 64 4.348 -8.772 12.445 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.385 -8.445 11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.028 -9.652 12.924 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.218 -6.638 13.246 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.195 -7.723 14.166 1.00 0.00 H new ATOM 977 N PRO A 65 3.814 -11.069 11.254 1.00 0.00 N ATOM 978 CA PRO A 65 3.668 -12.288 10.447 1.00 0.00 C ATOM 979 C PRO A 65 2.229 -12.472 9.925 1.00 0.00 C ATOM 980 O PRO A 65 2.028 -12.853 8.767 1.00 0.00 O ATOM 981 CB PRO A 65 4.039 -13.417 11.423 1.00 0.00 C ATOM 982 CG PRO A 65 4.855 -12.756 12.487 1.00 0.00 C ATOM 983 CD PRO A 65 4.321 -11.354 12.610 1.00 0.00 C ATOM 0 HA PRO A 65 4.294 -12.263 9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.148 -13.885 11.842 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.605 -14.202 10.922 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.769 -13.291 13.433 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.912 -12.749 12.220 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.531 -11.288 13.358 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.099 -10.651 12.905 1.00 0.00 H new ATOM 991 N LEU A 66 1.242 -12.186 10.797 1.00 0.00 N ATOM 992 CA LEU A 66 -0.197 -12.371 10.506 1.00 0.00 C ATOM 993 C LEU A 66 -0.561 -13.863 10.454 1.00 0.00 C ATOM 994 O LEU A 66 -1.487 -14.329 11.126 1.00 0.00 O ATOM 995 CB LEU A 66 -0.603 -11.676 9.191 1.00 0.00 C ATOM 996 CG LEU A 66 -0.436 -10.145 9.171 1.00 0.00 C ATOM 997 CD1 LEU A 66 -0.830 -9.574 7.809 1.00 0.00 C ATOM 998 CD2 LEU A 66 -1.252 -9.496 10.292 1.00 0.00 C ATOM 0 H LEU A 66 1.421 -11.817 11.731 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.754 -11.905 11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.011 -12.099 8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.646 -11.913 8.982 1.00 0.00 H new ATOM 0 HG LEU A 66 0.616 -9.915 9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.704 -8.491 7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.195 -10.007 7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.872 -9.816 7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.119 -8.415 10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.307 -9.736 10.160 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.911 -9.874 11.256 1.00 0.00 H new ATOM 1010 N GLY A 67 0.179 -14.591 9.641 1.00 0.00 N ATOM 1011 CA GLY A 67 0.037 -16.030 9.532 1.00 0.00 C ATOM 1012 C GLY A 67 1.139 -16.617 8.671 1.00 0.00 C ATOM 1013 O GLY A 67 2.107 -17.183 9.176 1.00 0.00 O ATOM 0 H GLY A 67 0.899 -14.199 9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.067 -16.479 10.525 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.935 -16.272 9.102 1.00 0.00 H new ATOM 1017 N GLU A 68 0.990 -16.469 7.363 1.00 0.00 N ATOM 1018 CA GLU A 68 1.987 -16.885 6.401 1.00 0.00 C ATOM 1019 C GLU A 68 2.079 -15.876 5.242 1.00 0.00 C ATOM 1020 O GLU A 68 2.792 -16.093 4.260 1.00 0.00 O ATOM 1021 CB GLU A 68 1.556 -18.236 5.867 1.00 0.00 C ATOM 1022 CG GLU A 68 0.101 -18.275 5.415 1.00 0.00 C ATOM 1023 CD GLU A 68 -0.325 -19.642 4.918 1.00 0.00 C ATOM 1024 OE1 GLU A 68 0.117 -20.044 3.820 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -1.109 -20.319 5.614 1.00 0.00 O ATOM 0 H GLU A 68 0.161 -16.051 6.940 1.00 0.00 H new ATOM 0 HA GLU A 68 2.968 -16.940 6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.196 -18.507 5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.708 -18.989 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.540 -17.980 6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.048 -17.543 4.621 1.00 0.00 H new ATOM 1032 N ASP A 69 1.367 -14.763 5.395 1.00 0.00 N ATOM 1033 CA ASP A 69 1.064 -13.847 4.290 1.00 0.00 C ATOM 1034 C ASP A 69 2.278 -13.095 3.724 1.00 0.00 C ATOM 1035 O ASP A 69 2.501 -13.102 2.512 1.00 0.00 O ATOM 1036 CB ASP A 69 0.018 -12.844 4.756 1.00 0.00 C ATOM 1037 CG ASP A 69 -1.260 -13.529 5.177 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -1.302 -14.083 6.294 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -2.222 -13.522 4.393 1.00 0.00 O ATOM 0 H ASP A 69 0.981 -14.466 6.291 1.00 0.00 H new ATOM 0 HA ASP A 69 0.697 -14.467 3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.414 -12.266 5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.194 -12.139 3.952 1.00 0.00 H new ATOM 1044 N LEU A 70 3.053 -12.439 4.584 1.00 0.00 N ATOM 1045 CA LEU A 70 4.096 -11.529 4.105 1.00 0.00 C ATOM 1046 C LEU A 70 5.240 -12.295 3.427 1.00 0.00 C ATOM 1047 O LEU A 70 6.138 -12.835 4.082 1.00 0.00 O ATOM 1048 CB LEU A 70 4.635 -10.653 5.243 1.00 0.00 C ATOM 1049 CG LEU A 70 5.619 -9.554 4.801 1.00 0.00 C ATOM 1050 CD1 LEU A 70 4.955 -8.598 3.812 1.00 0.00 C ATOM 1051 CD2 LEU A 70 6.157 -8.792 6.007 1.00 0.00 C ATOM 0 H LEU A 70 2.983 -12.516 5.599 1.00 0.00 H new ATOM 0 HA LEU A 70 3.639 -10.877 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.793 -10.184 5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.131 -11.294 5.972 1.00 0.00 H new ATOM 0 HG LEU A 70 6.459 -10.034 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.669 -7.830 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.630 -9.153 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.092 -8.128 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.850 -8.021 5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.329 -8.327 6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.677 -9.482 6.671 1.00 0.00 H new ATOM 1063 N LYS A 71 5.171 -12.338 2.103 1.00 0.00 N ATOM 1064 CA LYS A 71 6.137 -13.059 1.271 1.00 0.00 C ATOM 1065 C LYS A 71 7.188 -12.106 0.688 1.00 0.00 C ATOM 1066 O LYS A 71 6.905 -11.340 -0.235 1.00 0.00 O ATOM 1067 CB LYS A 71 5.400 -13.786 0.133 1.00 0.00 C ATOM 1068 CG LYS A 71 6.319 -14.458 -0.888 1.00 0.00 C ATOM 1069 CD LYS A 71 5.527 -15.090 -2.032 1.00 0.00 C ATOM 1070 CE LYS A 71 6.439 -15.626 -3.131 1.00 0.00 C ATOM 1071 NZ LYS A 71 7.301 -16.741 -2.659 1.00 0.00 N ATOM 0 H LYS A 71 4.439 -11.871 1.568 1.00 0.00 H new ATOM 0 HA LYS A 71 6.652 -13.787 1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.744 -14.542 0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.763 -13.070 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.015 -13.722 -1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.916 -15.224 -0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.913 -15.902 -1.642 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.847 -14.350 -2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.831 -15.970 -3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.068 -14.817 -3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.865 -17.104 -3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.937 -16.396 -1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.705 -17.504 -2.280 1.00 0.00 H new ATOM 1085 N TRP A 72 8.395 -12.144 1.235 1.00 0.00 N ATOM 1086 CA TRP A 72 9.500 -11.342 0.707 1.00 0.00 C ATOM 1087 C TRP A 72 10.036 -11.951 -0.598 1.00 0.00 C ATOM 1088 O TRP A 72 10.775 -12.937 -0.586 1.00 0.00 O ATOM 1089 CB TRP A 72 10.616 -11.215 1.754 1.00 0.00 C ATOM 1090 CG TRP A 72 10.222 -10.377 2.939 1.00 0.00 C ATOM 1091 CD1 TRP A 72 9.553 -10.788 4.058 1.00 0.00 C ATOM 1092 CD2 TRP A 72 10.468 -8.974 3.112 1.00 0.00 C ATOM 1093 NE1 TRP A 72 9.372 -9.727 4.915 1.00 0.00 N ATOM 1094 CE2 TRP A 72 9.925 -8.604 4.357 1.00 0.00 C ATOM 1095 CE3 TRP A 72 11.099 -7.997 2.334 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.992 -7.298 4.841 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 11.164 -6.702 2.813 1.00 0.00 C ATOM 1098 CH2 TRP A 72 10.613 -6.363 4.058 1.00 0.00 C ATOM 0 H TRP A 72 8.638 -12.719 2.042 1.00 0.00 H new ATOM 0 HA TRP A 72 9.128 -10.342 0.483 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.898 -12.210 2.098 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.498 -10.778 1.285 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.216 -11.797 4.242 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.902 -9.769 5.819 1.00 0.00 H new ATOM 0 HE3 TRP A 72 11.528 -8.250 1.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.569 -7.034 5.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 11.646 -5.939 2.220 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.680 -5.343 4.406 1.00 0.00 H new ATOM 1109 N GLU A 73 9.641 -11.359 -1.721 1.00 0.00 N ATOM 1110 CA GLU A 73 9.994 -11.879 -3.043 1.00 0.00 C ATOM 1111 C GLU A 73 11.485 -11.676 -3.351 1.00 0.00 C ATOM 1112 O GLU A 73 11.923 -10.566 -3.670 1.00 0.00 O ATOM 1113 CB GLU A 73 9.138 -11.193 -4.119 1.00 0.00 C ATOM 1114 CG GLU A 73 9.064 -11.955 -5.437 1.00 0.00 C ATOM 1115 CD GLU A 73 8.311 -13.268 -5.298 1.00 0.00 C ATOM 1116 OE1 GLU A 73 7.078 -13.224 -5.092 1.00 0.00 O ATOM 1117 OE2 GLU A 73 8.945 -14.341 -5.389 1.00 0.00 O ATOM 0 H GLU A 73 9.072 -10.513 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 73 9.796 -12.951 -3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.128 -11.058 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.542 -10.198 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.574 -11.334 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.073 -12.153 -5.798 1.00 0.00 H new ATOM 1124 N ALA A 74 12.264 -12.745 -3.227 1.00 0.00 N ATOM 1125 CA ALA A 74 13.688 -12.716 -3.572 1.00 0.00 C ATOM 1126 C ALA A 74 13.953 -13.506 -4.862 1.00 0.00 C ATOM 1127 O ALA A 74 14.267 -14.700 -4.825 1.00 0.00 O ATOM 1128 CB ALA A 74 14.524 -13.259 -2.418 1.00 0.00 C ATOM 0 H ALA A 74 11.935 -13.649 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 74 13.980 -11.681 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.579 -13.231 -2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.361 -12.647 -1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.230 -14.287 -2.208 1.00 0.00 H new ATOM 1134 N SER A 75 13.799 -12.836 -5.999 1.00 0.00 N ATOM 1135 CA SER A 75 13.954 -13.465 -7.321 1.00 0.00 C ATOM 1136 C SER A 75 15.218 -12.950 -8.034 1.00 0.00 C ATOM 1137 O SER A 75 16.203 -12.595 -7.382 1.00 0.00 O ATOM 1138 CB SER A 75 12.708 -13.170 -8.168 1.00 0.00 C ATOM 1139 OG SER A 75 12.542 -11.776 -8.373 1.00 0.00 O ATOM 0 H SER A 75 13.564 -11.844 -6.039 1.00 0.00 H new ATOM 0 HA SER A 75 14.062 -14.542 -7.189 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.793 -13.674 -9.131 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.825 -13.575 -7.673 1.00 0.00 H new ATOM 0 HG SER A 75 11.742 -11.618 -8.917 1.00 0.00 H new ATOM 1145 N ARG A 76 15.207 -12.927 -9.370 1.00 0.00 N ATOM 1146 CA ARG A 76 16.331 -12.372 -10.135 1.00 0.00 C ATOM 1147 C ARG A 76 16.438 -10.850 -9.926 1.00 0.00 C ATOM 1148 O ARG A 76 15.987 -10.056 -10.755 1.00 0.00 O ATOM 1149 CB ARG A 76 16.192 -12.707 -11.631 1.00 0.00 C ATOM 1150 CG ARG A 76 16.309 -14.198 -11.941 1.00 0.00 C ATOM 1151 CD ARG A 76 16.280 -14.473 -13.442 1.00 0.00 C ATOM 1152 NE ARG A 76 15.008 -14.089 -14.054 1.00 0.00 N ATOM 1153 CZ ARG A 76 14.888 -13.605 -15.260 1.00 0.00 C ATOM 1154 NH1 ARG A 76 15.927 -13.377 -15.995 1.00 0.00 N ATOM 1155 NH2 ARG A 76 13.719 -13.335 -15.729 1.00 0.00 N ATOM 0 H ARG A 76 14.440 -13.282 -9.941 1.00 0.00 H new ATOM 0 HA ARG A 76 17.249 -12.831 -9.767 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.227 -12.346 -11.987 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.959 -12.168 -12.187 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.237 -14.584 -11.519 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.492 -14.734 -11.458 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.091 -13.928 -13.924 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.459 -15.534 -13.618 1.00 0.00 H new ATOM 0 HE ARG A 76 14.159 -14.207 -13.502 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.860 -13.576 -15.635 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.813 -12.998 -16.935 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.890 -13.500 -15.158 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.622 -12.957 -16.671 1.00 0.00 H new ATOM 1169 N GLY A 77 17.016 -10.457 -8.792 1.00 0.00 N ATOM 1170 CA GLY A 77 17.159 -9.044 -8.458 1.00 0.00 C ATOM 1171 C GLY A 77 17.725 -8.824 -7.059 1.00 0.00 C ATOM 1172 O GLY A 77 17.678 -9.722 -6.215 1.00 0.00 O ATOM 0 H GLY A 77 17.391 -11.097 -8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.812 -8.566 -9.189 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.187 -8.557 -8.533 1.00 0.00 H new ATOM 1176 N GLY A 78 18.265 -7.634 -6.811 1.00 0.00 N ATOM 1177 CA GLY A 78 18.864 -7.332 -5.512 1.00 0.00 C ATOM 1178 C GLY A 78 17.850 -6.904 -4.453 1.00 0.00 C ATOM 1179 O GLY A 78 18.013 -7.205 -3.267 1.00 0.00 O ATOM 0 H GLY A 78 18.301 -6.869 -7.484 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.399 -8.212 -5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.602 -6.539 -5.637 1.00 0.00 H new ATOM 1183 N ALA A 79 16.805 -6.198 -4.872 1.00 0.00 N ATOM 1184 CA ALA A 79 15.778 -5.706 -3.946 1.00 0.00 C ATOM 1185 C ALA A 79 14.718 -6.778 -3.636 1.00 0.00 C ATOM 1186 O ALA A 79 14.198 -7.433 -4.538 1.00 0.00 O ATOM 1187 CB ALA A 79 15.120 -4.455 -4.519 1.00 0.00 C ATOM 0 H ALA A 79 16.642 -5.951 -5.848 1.00 0.00 H new ATOM 0 HA ALA A 79 16.269 -5.459 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.359 -4.095 -3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.874 -3.681 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.656 -4.694 -5.476 1.00 0.00 H new ATOM 1193 N ARG A 80 14.405 -6.953 -2.353 1.00 0.00 N ATOM 1194 CA ARG A 80 13.369 -7.902 -1.924 1.00 0.00 C ATOM 1195 C ARG A 80 11.988 -7.220 -1.879 1.00 0.00 C ATOM 1196 O ARG A 80 11.769 -6.286 -1.103 1.00 0.00 O ATOM 1197 CB ARG A 80 13.729 -8.477 -0.544 1.00 0.00 C ATOM 1198 CG ARG A 80 15.009 -9.315 -0.542 1.00 0.00 C ATOM 1199 CD ARG A 80 15.457 -9.673 0.875 1.00 0.00 C ATOM 1200 NE ARG A 80 15.814 -8.483 1.648 1.00 0.00 N ATOM 1201 CZ ARG A 80 16.428 -8.502 2.799 1.00 0.00 C ATOM 1202 NH1 ARG A 80 16.776 -9.616 3.353 1.00 0.00 N ATOM 1203 NH2 ARG A 80 16.705 -7.392 3.397 1.00 0.00 N ATOM 0 H ARG A 80 14.854 -6.450 -1.587 1.00 0.00 H new ATOM 0 HA ARG A 80 13.320 -8.716 -2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.842 -7.656 0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.902 -9.092 -0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.845 -10.229 -1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.804 -8.764 -1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 80 14.657 -10.211 1.384 1.00 0.00 H new ATOM 0 HD3 ARG A 80 16.313 -10.346 0.827 1.00 0.00 H new ATOM 0 HE ARG A 80 15.565 -7.574 1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 80 16.571 -10.502 2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 80 17.255 -9.610 4.253 1.00 0.00 H new ATOM 0 HH21 ARG A 80 16.444 -6.503 2.970 1.00 0.00 H new ATOM 0 HH22 ARG A 80 17.185 -7.404 4.297 1.00 0.00 H new ATOM 1217 N PHE A 81 11.061 -7.684 -2.713 1.00 0.00 N ATOM 1218 CA PHE A 81 9.732 -7.060 -2.823 1.00 0.00 C ATOM 1219 C PHE A 81 8.669 -7.821 -2.006 1.00 0.00 C ATOM 1220 O PHE A 81 8.318 -8.952 -2.335 1.00 0.00 O ATOM 1221 CB PHE A 81 9.303 -6.988 -4.296 1.00 0.00 C ATOM 1222 CG PHE A 81 10.237 -6.177 -5.163 1.00 0.00 C ATOM 1223 CD1 PHE A 81 10.103 -4.796 -5.253 1.00 0.00 C ATOM 1224 CD2 PHE A 81 11.252 -6.794 -5.883 1.00 0.00 C ATOM 1225 CE1 PHE A 81 10.958 -4.053 -6.047 1.00 0.00 C ATOM 1226 CE2 PHE A 81 12.108 -6.054 -6.676 1.00 0.00 C ATOM 1227 CZ PHE A 81 11.962 -4.685 -6.758 1.00 0.00 C ATOM 0 H PHE A 81 11.199 -8.489 -3.325 1.00 0.00 H new ATOM 0 HA PHE A 81 9.809 -6.053 -2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.238 -8.000 -4.696 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.303 -6.558 -4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.323 -4.298 -4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.374 -7.865 -5.822 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.842 -2.981 -6.112 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.892 -6.548 -7.232 1.00 0.00 H new ATOM 0 HZ PHE A 81 12.632 -4.107 -7.377 1.00 0.00 H new ATOM 1237 N PRO A 82 8.139 -7.212 -0.928 1.00 0.00 N ATOM 1238 CA PRO A 82 7.114 -7.849 -0.082 1.00 0.00 C ATOM 1239 C PRO A 82 5.768 -8.065 -0.807 1.00 0.00 C ATOM 1240 O PRO A 82 5.276 -7.184 -1.516 1.00 0.00 O ATOM 1241 CB PRO A 82 6.942 -6.864 1.093 1.00 0.00 C ATOM 1242 CG PRO A 82 8.117 -5.942 1.019 1.00 0.00 C ATOM 1243 CD PRO A 82 8.495 -5.871 -0.434 1.00 0.00 C ATOM 0 HA PRO A 82 7.423 -8.849 0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.005 -6.313 1.009 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.917 -7.392 2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.864 -4.955 1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.946 -6.316 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.946 -5.088 -0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.556 -5.659 -0.566 1.00 0.00 H new ATOM 1251 N HIS A 83 5.189 -9.252 -0.632 1.00 0.00 N ATOM 1252 CA HIS A 83 3.857 -9.569 -1.171 1.00 0.00 C ATOM 1253 C HIS A 83 2.879 -9.974 -0.054 1.00 0.00 C ATOM 1254 O HIS A 83 3.291 -10.454 1.004 1.00 0.00 O ATOM 1255 CB HIS A 83 3.950 -10.696 -2.216 1.00 0.00 C ATOM 1256 CG HIS A 83 4.491 -10.261 -3.547 1.00 0.00 C ATOM 1257 ND1 HIS A 83 5.484 -10.939 -4.223 1.00 0.00 N ATOM 1258 CD2 HIS A 83 4.132 -9.234 -4.354 1.00 0.00 C ATOM 1259 CE1 HIS A 83 5.707 -10.351 -5.380 1.00 0.00 C ATOM 1260 NE2 HIS A 83 4.901 -9.313 -5.491 1.00 0.00 N ATOM 0 H HIS A 83 5.622 -10.019 -0.117 1.00 0.00 H new ATOM 0 HA HIS A 83 3.475 -8.667 -1.649 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.584 -11.490 -1.821 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.958 -11.123 -2.362 1.00 0.00 H new ATOM 0 HD1 HIS A 83 5.970 -11.767 -3.880 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.379 -8.489 -4.143 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.431 -10.667 -6.117 1.00 0.00 H new ATOM 1269 N LEU A 84 1.582 -9.775 -0.300 1.00 0.00 N ATOM 1270 CA LEU A 84 0.535 -10.177 0.653 1.00 0.00 C ATOM 1271 C LEU A 84 -0.466 -11.134 -0.016 1.00 0.00 C ATOM 1272 O LEU A 84 -0.828 -10.950 -1.181 1.00 0.00 O ATOM 1273 CB LEU A 84 -0.201 -8.939 1.189 1.00 0.00 C ATOM 1274 CG LEU A 84 -1.126 -9.188 2.393 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -0.314 -9.570 3.625 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -1.990 -7.961 2.674 1.00 0.00 C ATOM 0 H LEU A 84 1.228 -9.338 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 84 1.010 -10.695 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.540 -8.191 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.793 -8.512 0.380 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.787 -10.020 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.987 -9.742 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.251 -10.479 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.375 -8.762 3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.636 -8.159 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.349 -7.107 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.602 -7.739 1.800 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.914 -12.151 0.727 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.816 -13.177 0.178 1.00 0.00 C ATOM 1290 C TYR A 85 -3.291 -12.733 0.169 1.00 0.00 C ATOM 1291 O TYR A 85 -3.924 -12.648 -0.888 1.00 0.00 O ATOM 1292 CB TYR A 85 -1.692 -14.488 0.976 1.00 0.00 C ATOM 1293 CG TYR A 85 -0.334 -15.171 0.905 1.00 0.00 C ATOM 1294 CD1 TYR A 85 0.625 -14.800 -0.036 1.00 0.00 C ATOM 1295 CD2 TYR A 85 -0.018 -16.203 1.785 1.00 0.00 C ATOM 1296 CE1 TYR A 85 1.852 -15.435 -0.092 1.00 0.00 C ATOM 1297 CE2 TYR A 85 1.204 -16.840 1.731 1.00 0.00 C ATOM 1298 CZ TYR A 85 2.137 -16.454 0.793 1.00 0.00 C ATOM 1299 OH TYR A 85 3.355 -17.093 0.742 1.00 0.00 O ATOM 0 H TYR A 85 -0.670 -12.289 1.708 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.507 -13.333 -0.856 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.921 -14.280 2.021 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.449 -15.185 0.617 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.406 -14.004 -0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.744 -16.510 2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.585 -15.134 -0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.429 -17.639 2.422 1.00 0.00 H new ATOM 0 HH TYR A 85 3.391 -17.784 1.436 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.835 -12.486 1.355 1.00 0.00 N ATOM 1310 CA ARG A 86 -5.267 -12.167 1.514 1.00 0.00 C ATOM 1311 C ARG A 86 -5.613 -10.764 0.993 1.00 0.00 C ATOM 1312 O ARG A 86 -4.752 -9.887 0.929 1.00 0.00 O ATOM 1313 CB ARG A 86 -5.677 -12.239 2.992 1.00 0.00 C ATOM 1314 CG ARG A 86 -5.184 -13.477 3.730 1.00 0.00 C ATOM 1315 CD ARG A 86 -5.592 -13.469 5.208 1.00 0.00 C ATOM 1316 NE ARG A 86 -5.747 -12.112 5.754 1.00 0.00 N ATOM 1317 CZ ARG A 86 -4.761 -11.312 6.089 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -3.528 -11.656 5.895 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -5.028 -10.156 6.612 1.00 0.00 N ATOM 0 H ARG A 86 -3.311 -12.498 2.230 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.811 -12.907 0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.299 -11.354 3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.765 -12.204 3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.585 -14.369 3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.098 -13.535 3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.531 -14.010 5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.842 -14.005 5.789 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.697 -11.764 5.883 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.311 -12.560 5.476 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.774 -11.023 6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.997 -9.875 6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.269 -9.528 6.875 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.889 -10.538 0.616 1.00 0.00 N ATOM 1334 CA PRO A 87 -7.399 -9.187 0.338 1.00 0.00 C ATOM 1335 C PRO A 87 -7.208 -8.253 1.544 1.00 0.00 C ATOM 1336 O PRO A 87 -7.796 -8.469 2.608 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.892 -9.417 0.053 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.974 -10.841 -0.387 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.921 -11.571 0.403 1.00 0.00 C ATOM 0 HA PRO A 87 -6.875 -8.705 -0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -9.497 -9.241 0.942 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -9.257 -8.741 -0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.964 -11.254 -0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.793 -10.931 -1.458 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.314 -11.949 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.528 -12.428 -0.144 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.391 -7.219 1.371 1.00 0.00 N ATOM 1348 CA LEU A 88 -5.981 -6.362 2.485 1.00 0.00 C ATOM 1349 C LEU A 88 -7.174 -5.596 3.083 1.00 0.00 C ATOM 1350 O LEU A 88 -7.795 -4.769 2.419 1.00 0.00 O ATOM 1351 CB LEU A 88 -4.890 -5.380 2.017 1.00 0.00 C ATOM 1352 CG LEU A 88 -3.885 -4.945 3.104 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -2.676 -4.241 2.489 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -4.554 -4.046 4.137 1.00 0.00 C ATOM 0 H LEU A 88 -5.997 -6.951 0.469 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.578 -7.001 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.338 -5.840 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.374 -4.490 1.615 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.534 -5.846 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.986 -3.946 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.171 -4.919 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.007 -3.355 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.824 -3.753 4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.945 -3.155 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.372 -4.586 4.614 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.480 -5.872 4.345 1.00 0.00 N ATOM 1367 CA LEU A 89 -8.582 -5.203 5.041 1.00 0.00 C ATOM 1368 C LEU A 89 -8.169 -3.795 5.505 1.00 0.00 C ATOM 1369 O LEU A 89 -7.139 -3.627 6.157 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.028 -6.043 6.248 1.00 0.00 C ATOM 1371 CG LEU A 89 -9.386 -7.508 5.935 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -9.809 -8.248 7.203 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -10.479 -7.587 4.870 1.00 0.00 C ATOM 0 H LEU A 89 -6.981 -6.557 4.913 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.414 -5.102 4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.231 -6.032 6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.895 -5.564 6.703 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.494 -7.995 5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.057 -9.280 6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.991 -8.233 7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.682 -7.759 7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.714 -8.632 4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.373 -7.077 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.130 -7.109 3.955 1.00 0.00 H new ATOM 1385 N VAL A 90 -8.979 -2.788 5.179 1.00 0.00 N ATOM 1386 CA VAL A 90 -8.679 -1.401 5.565 1.00 0.00 C ATOM 1387 C VAL A 90 -8.576 -1.251 7.093 1.00 0.00 C ATOM 1388 O VAL A 90 -7.770 -0.468 7.596 1.00 0.00 O ATOM 1389 CB VAL A 90 -9.739 -0.416 5.008 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -9.472 1.014 5.484 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -9.767 -0.480 3.483 1.00 0.00 C ATOM 0 H VAL A 90 -9.845 -2.901 4.651 1.00 0.00 H new ATOM 0 HA VAL A 90 -7.712 -1.153 5.128 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.715 -0.715 5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.232 1.681 5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.506 1.047 6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.488 1.334 5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.515 0.216 3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.787 -0.210 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.019 -1.492 3.166 1.00 0.00 H new ATOM 1401 N SER A 91 -9.374 -2.026 7.823 1.00 0.00 N ATOM 1402 CA SER A 91 -9.320 -2.035 9.293 1.00 0.00 C ATOM 1403 C SER A 91 -7.978 -2.583 9.807 1.00 0.00 C ATOM 1404 O SER A 91 -7.523 -2.223 10.896 1.00 0.00 O ATOM 1405 CB SER A 91 -10.468 -2.876 9.861 1.00 0.00 C ATOM 1406 OG SER A 91 -10.433 -4.199 9.344 1.00 0.00 O ATOM 0 H SER A 91 -10.068 -2.659 7.426 1.00 0.00 H new ATOM 0 HA SER A 91 -9.419 -1.003 9.631 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.399 -2.905 10.948 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.422 -2.410 9.614 1.00 0.00 H new ATOM 0 HG SER A 91 -11.174 -4.718 9.722 1.00 0.00 H new ATOM 1412 N GLU A 92 -7.352 -3.456 9.017 1.00 0.00 N ATOM 1413 CA GLU A 92 -6.045 -4.034 9.361 1.00 0.00 C ATOM 1414 C GLU A 92 -4.911 -3.011 9.139 1.00 0.00 C ATOM 1415 O GLU A 92 -3.825 -3.133 9.710 1.00 0.00 O ATOM 1416 CB GLU A 92 -5.815 -5.315 8.533 1.00 0.00 C ATOM 1417 CG GLU A 92 -4.544 -6.090 8.887 1.00 0.00 C ATOM 1418 CD GLU A 92 -4.522 -7.494 8.288 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -4.122 -7.648 7.115 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -4.921 -8.452 8.989 1.00 0.00 O ATOM 0 H GLU A 92 -7.729 -3.782 8.127 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.039 -4.295 10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.673 -5.974 8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.777 -5.046 7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.675 -5.535 8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.457 -6.161 9.971 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.182 -1.989 8.323 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.228 -0.897 8.099 1.00 0.00 C ATOM 1429 C VAL A 93 -4.110 -0.005 9.347 1.00 0.00 C ATOM 1430 O VAL A 93 -5.095 0.589 9.792 1.00 0.00 O ATOM 1431 CB VAL A 93 -4.648 -0.016 6.893 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -3.615 1.079 6.628 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -4.872 -0.870 5.647 1.00 0.00 C ATOM 0 H VAL A 93 -6.056 -1.894 7.805 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.263 -1.358 7.886 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.592 0.469 7.143 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.934 1.682 5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.524 1.714 7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.650 0.623 6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.166 -0.230 4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.950 -1.394 5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.661 -1.597 5.841 1.00 0.00 H new ATOM 1443 N THR A 94 -2.909 0.081 9.911 1.00 0.00 N ATOM 1444 CA THR A 94 -2.671 0.897 11.093 1.00 0.00 C ATOM 1445 C THR A 94 -2.633 2.398 10.760 1.00 0.00 C ATOM 1446 O THR A 94 -3.487 3.165 11.213 1.00 0.00 O ATOM 1447 CB THR A 94 -1.346 0.490 11.775 1.00 0.00 C ATOM 1448 OG1 THR A 94 -0.257 0.583 10.847 1.00 0.00 O ATOM 1449 CG2 THR A 94 -1.424 -0.931 12.330 1.00 0.00 C ATOM 0 H THR A 94 -2.083 -0.408 9.565 1.00 0.00 H new ATOM 0 HA THR A 94 -3.504 0.721 11.773 1.00 0.00 H new ATOM 0 HB THR A 94 -1.176 1.177 12.603 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.588 0.641 11.339 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.477 -1.189 12.804 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.226 -0.991 13.066 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.625 -1.629 11.517 1.00 0.00 H new ATOM 1457 N ARG A 95 -1.656 2.817 9.954 1.00 0.00 N ATOM 1458 CA ARG A 95 -1.446 4.247 9.680 1.00 0.00 C ATOM 1459 C ARG A 95 -1.564 4.594 8.187 1.00 0.00 C ATOM 1460 O ARG A 95 -1.128 3.843 7.313 1.00 0.00 O ATOM 1461 CB ARG A 95 -0.068 4.665 10.198 1.00 0.00 C ATOM 1462 CG ARG A 95 0.207 6.167 10.186 1.00 0.00 C ATOM 1463 CD ARG A 95 -0.797 6.946 11.036 1.00 0.00 C ATOM 1464 NE ARG A 95 -0.178 8.091 11.697 1.00 0.00 N ATOM 1465 CZ ARG A 95 -0.267 9.328 11.295 1.00 0.00 C ATOM 1466 NH1 ARG A 95 -0.895 9.637 10.202 1.00 0.00 N ATOM 1467 NH2 ARG A 95 0.291 10.263 11.990 1.00 0.00 N ATOM 0 H ARG A 95 -1.000 2.195 9.481 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.234 4.795 10.197 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.044 4.300 11.219 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.694 4.168 9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.215 6.353 10.557 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.172 6.533 9.160 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.617 7.290 10.405 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.229 6.283 11.786 1.00 0.00 H new ATOM 0 HE ARG A 95 0.367 7.909 12.540 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.331 8.906 9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -0.953 10.611 9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.796 10.031 12.845 1.00 0.00 H new ATOM 0 HH22 ARG A 95 0.227 11.234 11.683 1.00 0.00 H new ATOM 1481 N GLU A 96 -2.139 5.763 7.923 1.00 0.00 N ATOM 1482 CA GLU A 96 -2.266 6.306 6.563 1.00 0.00 C ATOM 1483 C GLU A 96 -1.821 7.781 6.532 1.00 0.00 C ATOM 1484 O GLU A 96 -1.957 8.494 7.531 1.00 0.00 O ATOM 1485 CB GLU A 96 -3.721 6.191 6.066 1.00 0.00 C ATOM 1486 CG GLU A 96 -4.723 7.013 6.880 1.00 0.00 C ATOM 1487 CD GLU A 96 -6.147 6.944 6.335 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -6.438 7.618 5.326 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -6.989 6.228 6.922 1.00 0.00 O ATOM 0 H GLU A 96 -2.533 6.367 8.644 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.622 5.725 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.765 6.511 5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.021 5.143 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.719 6.660 7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.399 8.053 6.898 1.00 0.00 H new ATOM 1496 N ALA A 97 -1.267 8.227 5.402 1.00 0.00 N ATOM 1497 CA ALA A 97 -0.879 9.639 5.236 1.00 0.00 C ATOM 1498 C ALA A 97 -0.841 10.059 3.757 1.00 0.00 C ATOM 1499 O ALA A 97 -0.374 9.308 2.904 1.00 0.00 O ATOM 1500 CB ALA A 97 0.480 9.888 5.884 1.00 0.00 C ATOM 0 H ALA A 97 -1.076 7.639 4.591 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.638 10.246 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.758 10.934 5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.424 9.655 6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.230 9.253 5.412 1.00 0.00 H new ATOM 1506 N ASP A 98 -1.334 11.262 3.456 1.00 0.00 N ATOM 1507 CA ASP A 98 -1.294 11.797 2.088 1.00 0.00 C ATOM 1508 C ASP A 98 0.069 12.462 1.811 1.00 0.00 C ATOM 1509 O ASP A 98 0.526 13.312 2.578 1.00 0.00 O ATOM 1510 CB ASP A 98 -2.438 12.801 1.884 1.00 0.00 C ATOM 1511 CG ASP A 98 -2.652 13.163 0.420 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -1.985 14.094 -0.081 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -3.497 12.520 -0.237 1.00 0.00 O ATOM 0 H ASP A 98 -1.766 11.886 4.138 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.422 10.975 1.383 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.359 12.382 2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.225 13.708 2.450 1.00 0.00 H new ATOM 1518 N LEU A 99 0.719 12.063 0.720 1.00 0.00 N ATOM 1519 CA LEU A 99 2.058 12.564 0.391 1.00 0.00 C ATOM 1520 C LEU A 99 2.008 13.808 -0.509 1.00 0.00 C ATOM 1521 O LEU A 99 1.483 13.767 -1.626 1.00 0.00 O ATOM 1522 CB LEU A 99 2.883 11.464 -0.291 1.00 0.00 C ATOM 1523 CG LEU A 99 3.136 10.208 0.558 1.00 0.00 C ATOM 1524 CD1 LEU A 99 3.931 9.175 -0.238 1.00 0.00 C ATOM 1525 CD2 LEU A 99 3.859 10.564 1.859 1.00 0.00 C ATOM 0 H LEU A 99 0.343 11.395 0.047 1.00 0.00 H new ATOM 0 HA LEU A 99 2.532 12.853 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.373 11.166 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.845 11.884 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 99 2.171 9.773 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.101 8.292 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.371 8.892 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.890 9.602 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.026 9.658 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.817 11.029 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.249 11.259 2.436 1.00 0.00 H new ATOM 1537 N ASP A 100 2.552 14.914 -0.008 1.00 0.00 N ATOM 1538 CA ASP A 100 2.717 16.134 -0.803 1.00 0.00 C ATOM 1539 C ASP A 100 4.004 16.074 -1.646 1.00 0.00 C ATOM 1540 O ASP A 100 4.963 15.377 -1.294 1.00 0.00 O ATOM 1541 CB ASP A 100 2.736 17.363 0.114 1.00 0.00 C ATOM 1542 CG ASP A 100 1.392 17.609 0.776 1.00 0.00 C ATOM 1543 OD1 ASP A 100 1.149 17.063 1.874 1.00 0.00 O ATOM 1544 OD2 ASP A 100 0.565 18.347 0.197 1.00 0.00 O ATOM 0 H ASP A 100 2.889 14.993 0.951 1.00 0.00 H new ATOM 0 HA ASP A 100 1.871 16.215 -1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.498 17.229 0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.019 18.242 -0.466 1.00 0.00 H new ATOM 1549 N LEU A 101 4.026 16.810 -2.756 1.00 0.00 N ATOM 1550 CA LEU A 101 5.167 16.778 -3.676 1.00 0.00 C ATOM 1551 C LEU A 101 5.356 18.110 -4.410 1.00 0.00 C ATOM 1552 O LEU A 101 4.396 18.844 -4.660 1.00 0.00 O ATOM 1553 CB LEU A 101 5.010 15.612 -4.671 1.00 0.00 C ATOM 1554 CG LEU A 101 3.647 15.493 -5.390 1.00 0.00 C ATOM 1555 CD1 LEU A 101 3.539 16.460 -6.568 1.00 0.00 C ATOM 1556 CD2 LEU A 101 3.411 14.056 -5.850 1.00 0.00 C ATOM 0 H LEU A 101 3.271 17.434 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 101 6.068 16.618 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.788 15.704 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.195 14.681 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 101 2.872 15.766 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.566 16.344 -7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.648 17.484 -6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.326 16.243 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.447 13.989 -6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.202 13.760 -6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.415 13.392 -4.986 1.00 0.00 H new ATOM 1568 N ASP A 102 6.607 18.412 -4.744 1.00 0.00 N ATOM 1569 CA ASP A 102 6.956 19.657 -5.434 1.00 0.00 C ATOM 1570 C ASP A 102 7.164 19.431 -6.940 1.00 0.00 C ATOM 1571 O ASP A 102 6.942 18.333 -7.460 1.00 0.00 O ATOM 1572 CB ASP A 102 8.232 20.243 -4.822 1.00 0.00 C ATOM 1573 CG ASP A 102 8.101 20.476 -3.329 1.00 0.00 C ATOM 1574 OD1 ASP A 102 7.199 21.235 -2.919 1.00 0.00 O ATOM 1575 OD2 ASP A 102 8.904 19.909 -2.562 1.00 0.00 O ATOM 0 H ASP A 102 7.405 17.808 -4.547 1.00 0.00 H new ATOM 0 HA ASP A 102 6.127 20.354 -5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.066 19.567 -5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.469 21.186 -5.315 1.00 0.00 H new ATOM 1580 N ALA A 103 7.635 20.474 -7.625 1.00 0.00 N ATOM 1581 CA ALA A 103 7.889 20.422 -9.072 1.00 0.00 C ATOM 1582 C ALA A 103 9.069 19.495 -9.436 1.00 0.00 C ATOM 1583 O ALA A 103 9.501 19.455 -10.590 1.00 0.00 O ATOM 1584 CB ALA A 103 8.141 21.832 -9.600 1.00 0.00 C ATOM 0 H ALA A 103 7.851 21.375 -7.199 1.00 0.00 H new ATOM 0 HA ALA A 103 7.001 20.001 -9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.329 21.791 -10.673 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.267 22.454 -9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.008 22.260 -9.096 1.00 0.00 H new ATOM 1590 N ASP A 104 9.587 18.755 -8.454 1.00 0.00 N ATOM 1591 CA ASP A 104 10.669 17.799 -8.686 1.00 0.00 C ATOM 1592 C ASP A 104 10.092 16.435 -9.110 1.00 0.00 C ATOM 1593 O ASP A 104 10.819 15.544 -9.560 1.00 0.00 O ATOM 1594 CB ASP A 104 11.506 17.659 -7.405 1.00 0.00 C ATOM 1595 CG ASP A 104 12.813 16.921 -7.631 1.00 0.00 C ATOM 1596 OD1 ASP A 104 13.731 17.513 -8.228 1.00 0.00 O ATOM 1597 OD2 ASP A 104 12.939 15.756 -7.200 1.00 0.00 O ATOM 0 H ASP A 104 9.272 18.801 -7.485 1.00 0.00 H new ATOM 0 HA ASP A 104 11.309 18.161 -9.491 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.719 18.651 -7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.922 17.131 -6.651 1.00 0.00 H new ATOM 1602 N GLY A 105 8.770 16.293 -8.976 1.00 0.00 N ATOM 1603 CA GLY A 105 8.106 15.034 -9.288 1.00 0.00 C ATOM 1604 C GLY A 105 8.381 13.949 -8.253 1.00 0.00 C ATOM 1605 O GLY A 105 8.527 12.775 -8.596 1.00 0.00 O ATOM 0 H GLY A 105 8.145 17.033 -8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.031 15.202 -9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 105 8.436 14.687 -10.267 1.00 0.00 H new ATOM 1609 N VAL A 106 8.464 14.347 -6.982 1.00 0.00 N ATOM 1610 CA VAL A 106 8.792 13.420 -5.891 1.00 0.00 C ATOM 1611 C VAL A 106 7.946 13.687 -4.635 1.00 0.00 C ATOM 1612 O VAL A 106 8.023 14.768 -4.048 1.00 0.00 O ATOM 1613 CB VAL A 106 10.296 13.531 -5.508 1.00 0.00 C ATOM 1614 CG1 VAL A 106 10.618 12.698 -4.265 1.00 0.00 C ATOM 1615 CG2 VAL A 106 11.190 13.117 -6.678 1.00 0.00 C ATOM 0 H VAL A 106 8.308 15.309 -6.680 1.00 0.00 H new ATOM 0 HA VAL A 106 8.571 12.417 -6.257 1.00 0.00 H new ATOM 0 HB VAL A 106 10.499 14.576 -5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.676 12.798 -4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.020 13.052 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.387 11.651 -4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.236 13.203 -6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.974 12.085 -6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 106 10.997 13.768 -7.531 1.00 0.00 H new ATOM 1625 N PRO A 107 7.109 12.717 -4.214 1.00 0.00 N ATOM 1626 CA PRO A 107 6.461 12.767 -2.896 1.00 0.00 C ATOM 1627 C PRO A 107 7.503 12.632 -1.773 1.00 0.00 C ATOM 1628 O PRO A 107 7.963 11.530 -1.452 1.00 0.00 O ATOM 1629 CB PRO A 107 5.496 11.572 -2.917 1.00 0.00 C ATOM 1630 CG PRO A 107 6.055 10.647 -3.949 1.00 0.00 C ATOM 1631 CD PRO A 107 6.709 11.524 -4.985 1.00 0.00 C ATOM 0 HA PRO A 107 5.947 13.710 -2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.443 11.090 -1.941 1.00 0.00 H new ATOM 0 HB3 PRO A 107 4.484 11.885 -3.173 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.777 9.961 -3.507 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.268 10.038 -4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 107 7.568 11.034 -5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.020 11.778 -5.791 1.00 0.00 H new ATOM 1639 N GLN A 108 7.899 13.763 -1.198 1.00 0.00 N ATOM 1640 CA GLN A 108 9.048 13.802 -0.288 1.00 0.00 C ATOM 1641 C GLN A 108 8.725 13.204 1.091 1.00 0.00 C ATOM 1642 O GLN A 108 8.371 13.913 2.036 1.00 0.00 O ATOM 1643 CB GLN A 108 9.577 15.238 -0.165 1.00 0.00 C ATOM 1644 CG GLN A 108 9.883 15.873 -1.520 1.00 0.00 C ATOM 1645 CD GLN A 108 10.611 17.201 -1.423 1.00 0.00 C ATOM 1646 OE1 GLN A 108 10.482 17.935 -0.448 1.00 0.00 O ATOM 1647 NE2 GLN A 108 11.378 17.523 -2.443 1.00 0.00 N ATOM 0 H GLN A 108 7.445 14.665 -1.343 1.00 0.00 H new ATOM 0 HA GLN A 108 9.830 13.176 -0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.841 15.848 0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 108 10.482 15.237 0.443 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.486 15.181 -2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.948 16.020 -2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.463 16.889 -3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.888 18.406 -2.439 1.00 0.00 H new ATOM 1656 N LEU A 109 8.837 11.879 1.184 1.00 0.00 N ATOM 1657 CA LEU A 109 8.612 11.156 2.438 1.00 0.00 C ATOM 1658 C LEU A 109 9.930 10.882 3.185 1.00 0.00 C ATOM 1659 O LEU A 109 9.936 10.190 4.202 1.00 0.00 O ATOM 1660 CB LEU A 109 7.842 9.843 2.171 1.00 0.00 C ATOM 1661 CG LEU A 109 8.385 8.950 1.036 1.00 0.00 C ATOM 1662 CD1 LEU A 109 9.728 8.323 1.406 1.00 0.00 C ATOM 1663 CD2 LEU A 109 7.367 7.871 0.667 1.00 0.00 C ATOM 0 H LEU A 109 9.085 11.278 0.398 1.00 0.00 H new ATOM 0 HA LEU A 109 8.005 11.790 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.833 9.259 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.806 10.094 1.943 1.00 0.00 H new ATOM 0 HG LEU A 109 8.549 9.585 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.079 7.701 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.456 9.111 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.609 7.709 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.768 7.251 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.164 7.249 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.442 8.342 0.334 1.00 0.00 H new ATOM 1675 N GLY A 110 11.040 11.422 2.674 1.00 0.00 N ATOM 1676 CA GLY A 110 12.345 11.232 3.311 1.00 0.00 C ATOM 1677 C GLY A 110 12.401 11.732 4.756 1.00 0.00 C ATOM 1678 O GLY A 110 13.227 11.278 5.545 1.00 0.00 O ATOM 0 H GLY A 110 11.061 11.990 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.598 10.172 3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.104 11.751 2.726 1.00 0.00 H new ATOM 1682 N ASP A 111 11.530 12.680 5.100 1.00 0.00 N ATOM 1683 CA ASP A 111 11.413 13.161 6.483 1.00 0.00 C ATOM 1684 C ASP A 111 10.625 12.167 7.358 1.00 0.00 C ATOM 1685 O ASP A 111 10.584 12.290 8.582 1.00 0.00 O ATOM 1686 CB ASP A 111 10.732 14.531 6.502 1.00 0.00 C ATOM 1687 CG ASP A 111 11.485 15.553 5.674 1.00 0.00 C ATOM 1688 OD1 ASP A 111 12.524 16.060 6.147 1.00 0.00 O ATOM 1689 OD2 ASP A 111 11.053 15.845 4.538 1.00 0.00 O ATOM 0 H ASP A 111 10.894 13.132 4.443 1.00 0.00 H new ATOM 0 HA ASP A 111 12.417 13.249 6.897 1.00 0.00 H new ATOM 0 HB2 ASP A 111 9.715 14.435 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.656 14.883 7.531 1.00 0.00 H new ATOM 1694 N HIS A 112 9.991 11.193 6.709 1.00 0.00 N ATOM 1695 CA HIS A 112 9.219 10.150 7.397 1.00 0.00 C ATOM 1696 C HIS A 112 10.037 8.855 7.538 1.00 0.00 C ATOM 1697 O HIS A 112 10.099 8.257 8.616 1.00 0.00 O ATOM 1698 CB HIS A 112 7.921 9.855 6.627 1.00 0.00 C ATOM 1699 CG HIS A 112 6.982 11.023 6.533 1.00 0.00 C ATOM 1700 ND1 HIS A 112 6.359 11.582 7.627 1.00 0.00 N ATOM 1701 CD2 HIS A 112 6.560 11.741 5.463 1.00 0.00 C ATOM 1702 CE1 HIS A 112 5.598 12.583 7.238 1.00 0.00 C ATOM 1703 NE2 HIS A 112 5.701 12.704 5.932 1.00 0.00 N ATOM 0 H HIS A 112 9.995 11.101 5.693 1.00 0.00 H new ATOM 0 HA HIS A 112 8.977 10.518 8.394 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.176 9.526 5.620 1.00 0.00 H new ATOM 0 HB3 HIS A 112 7.405 9.026 7.111 1.00 0.00 H new ATOM 0 HD2 HIS A 112 6.846 11.585 4.433 1.00 0.00 H new ATOM 0 HE1 HIS A 112 4.991 13.201 7.883 1.00 0.00 H new ATOM 0 HE2 HIS A 112 5.221 13.400 5.361 1.00 0.00 H new ATOM 1712 N LEU A 113 10.659 8.428 6.437 1.00 0.00 N ATOM 1713 CA LEU A 113 11.417 7.172 6.409 1.00 0.00 C ATOM 1714 C LEU A 113 12.923 7.424 6.605 1.00 0.00 C ATOM 1715 O LEU A 113 13.386 8.559 6.497 1.00 0.00 O ATOM 1716 CB LEU A 113 11.179 6.434 5.079 1.00 0.00 C ATOM 1717 CG LEU A 113 9.710 6.341 4.615 1.00 0.00 C ATOM 1718 CD1 LEU A 113 9.568 5.360 3.452 1.00 0.00 C ATOM 1719 CD2 LEU A 113 8.784 5.958 5.767 1.00 0.00 C ATOM 0 H LEU A 113 10.654 8.933 5.551 1.00 0.00 H new ATOM 0 HA LEU A 113 11.064 6.552 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.755 6.934 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.576 5.423 5.170 1.00 0.00 H new ATOM 0 HG LEU A 113 9.410 7.329 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.524 5.311 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.179 5.697 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.899 4.371 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.757 5.901 5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.082 4.989 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.851 6.710 6.553 1.00 0.00 H new ATOM 1731 N ALA A 114 13.679 6.352 6.873 1.00 0.00 N ATOM 1732 CA ALA A 114 15.121 6.447 7.157 1.00 0.00 C ATOM 1733 C ALA A 114 15.400 7.370 8.356 1.00 0.00 C ATOM 1734 O ALA A 114 15.531 8.589 8.211 1.00 0.00 O ATOM 1735 CB ALA A 114 15.892 6.909 5.922 1.00 0.00 C ATOM 0 H ALA A 114 13.314 5.400 6.900 1.00 0.00 H new ATOM 0 HA ALA A 114 15.470 5.449 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.954 6.971 6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.742 6.196 5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.531 7.890 5.614 1.00 0.00 H new ATOM 1741 N LEU A 115 15.494 6.775 9.541 1.00 0.00 N ATOM 1742 CA LEU A 115 15.619 7.539 10.788 1.00 0.00 C ATOM 1743 C LEU A 115 17.086 7.801 11.161 1.00 0.00 C ATOM 1744 O LEU A 115 17.939 6.917 11.051 1.00 0.00 O ATOM 1745 CB LEU A 115 14.914 6.790 11.932 1.00 0.00 C ATOM 1746 CG LEU A 115 14.933 7.496 13.303 1.00 0.00 C ATOM 1747 CD1 LEU A 115 14.205 8.840 13.240 1.00 0.00 C ATOM 1748 CD2 LEU A 115 14.324 6.597 14.380 1.00 0.00 C ATOM 0 H LEU A 115 15.486 5.763 9.669 1.00 0.00 H new ATOM 0 HA LEU A 115 15.143 8.507 10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 115 13.876 6.620 11.645 1.00 0.00 H new ATOM 0 HB3 LEU A 115 15.379 5.810 12.042 1.00 0.00 H new ATOM 0 HG LEU A 115 15.972 7.692 13.568 1.00 0.00 H new ATOM 0 HD11 LEU A 115 14.234 9.316 14.220 1.00 0.00 H new ATOM 0 HD12 LEU A 115 14.694 9.485 12.509 1.00 0.00 H new ATOM 0 HD13 LEU A 115 13.168 8.679 12.945 1.00 0.00 H new ATOM 0 HD21 LEU A 115 14.347 7.113 15.340 1.00 0.00 H new ATOM 0 HD22 LEU A 115 13.292 6.363 14.118 1.00 0.00 H new ATOM 0 HD23 LEU A 115 14.899 5.674 14.451 1.00 0.00 H new ATOM 1760 N GLU A 116 17.373 9.027 11.596 1.00 0.00 N ATOM 1761 CA GLU A 116 18.701 9.383 12.108 1.00 0.00 C ATOM 1762 C GLU A 116 18.600 9.992 13.517 1.00 0.00 C ATOM 1763 O GLU A 116 17.664 10.735 13.823 1.00 0.00 O ATOM 1764 CB GLU A 116 19.407 10.359 11.154 1.00 0.00 C ATOM 1765 CG GLU A 116 20.756 10.850 11.669 1.00 0.00 C ATOM 1766 CD GLU A 116 21.496 11.717 10.666 1.00 0.00 C ATOM 1767 OE1 GLU A 116 21.155 12.914 10.536 1.00 0.00 O ATOM 1768 OE2 GLU A 116 22.422 11.206 10.005 1.00 0.00 O ATOM 0 H GLU A 116 16.702 9.795 11.605 1.00 0.00 H new ATOM 0 HA GLU A 116 19.293 8.470 12.170 1.00 0.00 H new ATOM 0 HB2 GLU A 116 19.552 9.871 10.190 1.00 0.00 H new ATOM 0 HB3 GLU A 116 18.759 11.218 10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 116 20.603 11.417 12.587 1.00 0.00 H new ATOM 0 HG3 GLU A 116 21.376 9.990 11.924 1.00 0.00 H new TER 1775 GLU A 116