USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 716 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 44 LYS NZ :NH3+ -161:sc= -0.206 (180deg=-1.98!) USER MOD Set 1.2: A 77 TYR OH : rot -20:sc= 0.692 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0739 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 0.237 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.000124 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0594 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.769 X(o=-0.77,f=-0.6) USER MOD Single : A 18 GLN : amide:sc= -1.91! K(o=-1.9!,f=-0.84) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0651 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 24:sc= 0.0712 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0577 USER MOD Single : A 59 GLN : amide:sc= -0.73 K(o=-0.73,f=-0.12) USER MOD Single : A 61 GLN : amide:sc= -0.0558 K(o=-0.056,f=-1.5) USER MOD Single : A 63 THR OG1 : rot 37:sc= 0.189 USER MOD Single : A 65 GLN : amide:sc= -0.0752 K(o=-0.075,f=-1.7!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 98:sc= 0.0377 USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.75! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -23:sc= 1.2 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.391 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.407 19.531 17.545 1.00 0.00 N ATOM 2 CA GLY A 1 15.462 19.106 16.529 1.00 0.00 C ATOM 3 C GLY A 1 16.073 19.080 15.143 1.00 0.00 C ATOM 4 O GLY A 1 17.111 19.697 14.903 1.00 0.00 O ATOM 0 H1 GLY A 1 16.625 18.731 18.172 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.281 19.862 17.089 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.993 20.305 18.103 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.089 18.112 16.777 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.604 19.778 16.532 1.00 0.00 H new ATOM 8 N SER A 2 15.429 18.363 14.227 1.00 0.00 N ATOM 9 CA SER A 2 15.919 18.254 12.858 1.00 0.00 C ATOM 10 C SER A 2 15.779 19.584 12.124 1.00 0.00 C ATOM 11 O SER A 2 14.708 20.190 12.114 1.00 0.00 O ATOM 12 CB SER A 2 15.157 17.161 12.107 1.00 0.00 C ATOM 13 OG SER A 2 13.775 17.462 12.032 1.00 0.00 O ATOM 0 H SER A 2 14.567 17.849 14.408 1.00 0.00 H new ATOM 0 HA SER A 2 16.976 17.989 12.896 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.564 17.055 11.102 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.297 16.204 12.610 1.00 0.00 H new ATOM 0 HG SER A 2 13.643 18.426 12.149 1.00 0.00 H new ATOM 19 N SER A 3 16.870 20.032 11.510 1.00 0.00 N ATOM 20 CA SER A 3 16.871 21.292 10.775 1.00 0.00 C ATOM 21 C SER A 3 17.314 21.078 9.331 1.00 0.00 C ATOM 22 O SER A 3 18.229 20.302 9.059 1.00 0.00 O ATOM 23 CB SER A 3 17.791 22.304 11.459 1.00 0.00 C ATOM 24 OG SER A 3 17.196 22.820 12.638 1.00 0.00 O ATOM 0 H SER A 3 17.764 19.541 11.507 1.00 0.00 H new ATOM 0 HA SER A 3 15.853 21.683 10.770 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.740 21.828 11.705 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.012 23.121 10.772 1.00 0.00 H new ATOM 0 HG SER A 3 17.805 23.463 13.057 1.00 0.00 H new ATOM 30 N GLY A 4 16.658 21.774 8.408 1.00 0.00 N ATOM 31 CA GLY A 4 16.997 21.648 7.003 1.00 0.00 C ATOM 32 C GLY A 4 16.247 20.519 6.324 1.00 0.00 C ATOM 33 O GLY A 4 15.065 20.651 6.010 1.00 0.00 O ATOM 0 H GLY A 4 15.897 22.423 8.608 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.775 22.586 6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.069 21.478 6.905 1.00 0.00 H new ATOM 37 N SER A 5 16.936 19.405 6.097 1.00 0.00 N ATOM 38 CA SER A 5 16.329 18.250 5.446 1.00 0.00 C ATOM 39 C SER A 5 15.331 18.690 4.379 1.00 0.00 C ATOM 40 O SER A 5 14.238 18.134 4.269 1.00 0.00 O ATOM 41 CB SER A 5 15.631 17.364 6.479 1.00 0.00 C ATOM 42 OG SER A 5 14.543 18.043 7.081 1.00 0.00 O ATOM 0 H SER A 5 17.915 19.278 6.354 1.00 0.00 H new ATOM 0 HA SER A 5 17.121 17.678 4.964 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.274 16.453 5.999 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.345 17.062 7.246 1.00 0.00 H new ATOM 0 HG SER A 5 14.113 17.455 7.736 1.00 0.00 H new ATOM 48 N SER A 6 15.715 19.693 3.596 1.00 0.00 N ATOM 49 CA SER A 6 14.853 20.212 2.540 1.00 0.00 C ATOM 50 C SER A 6 14.704 19.195 1.412 1.00 0.00 C ATOM 51 O SER A 6 15.454 18.223 1.335 1.00 0.00 O ATOM 52 CB SER A 6 15.418 21.523 1.990 1.00 0.00 C ATOM 53 OG SER A 6 14.503 22.137 1.098 1.00 0.00 O ATOM 0 H SER A 6 16.617 20.163 3.673 1.00 0.00 H new ATOM 0 HA SER A 6 13.868 20.401 2.968 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.639 22.202 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.359 21.330 1.475 1.00 0.00 H new ATOM 0 HG SER A 6 14.886 22.974 0.761 1.00 0.00 H new ATOM 59 N GLY A 7 13.730 19.429 0.538 1.00 0.00 N ATOM 60 CA GLY A 7 13.499 18.526 -0.574 1.00 0.00 C ATOM 61 C GLY A 7 12.088 17.971 -0.588 1.00 0.00 C ATOM 62 O GLY A 7 11.270 18.277 0.279 1.00 0.00 O ATOM 0 H GLY A 7 13.097 20.228 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.689 19.052 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.210 17.701 -0.522 1.00 0.00 H new ATOM 66 N PRO A 8 11.787 17.135 -1.592 1.00 0.00 N ATOM 67 CA PRO A 8 10.465 16.520 -1.740 1.00 0.00 C ATOM 68 C PRO A 8 10.185 15.480 -0.660 1.00 0.00 C ATOM 69 O PRO A 8 11.071 15.083 0.098 1.00 0.00 O ATOM 70 CB PRO A 8 10.535 15.855 -3.117 1.00 0.00 C ATOM 71 CG PRO A 8 11.985 15.600 -3.342 1.00 0.00 C ATOM 72 CD PRO A 8 12.714 16.726 -2.661 1.00 0.00 C ATOM 0 HA PRO A 8 9.663 17.252 -1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.962 14.928 -3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.122 16.503 -3.891 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.281 14.636 -2.927 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.216 15.573 -4.407 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.673 16.399 -2.258 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.920 17.546 -3.349 1.00 0.00 H new ATOM 80 N PRO A 9 8.925 15.025 -0.587 1.00 0.00 N ATOM 81 CA PRO A 9 8.501 14.024 0.396 1.00 0.00 C ATOM 82 C PRO A 9 9.085 12.645 0.109 1.00 0.00 C ATOM 83 O PRO A 9 8.776 12.030 -0.912 1.00 0.00 O ATOM 84 CB PRO A 9 6.978 14.001 0.244 1.00 0.00 C ATOM 85 CG PRO A 9 6.729 14.464 -1.150 1.00 0.00 C ATOM 86 CD PRO A 9 7.818 15.453 -1.459 1.00 0.00 C ATOM 0 HA PRO A 9 8.840 14.272 1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.579 13.000 0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.498 14.656 0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.752 13.628 -1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.746 14.926 -1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.101 15.424 -2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.507 16.475 -1.241 1.00 0.00 H new ATOM 94 N ILE A 10 9.931 12.166 1.015 1.00 0.00 N ATOM 95 CA ILE A 10 10.556 10.859 0.859 1.00 0.00 C ATOM 96 C ILE A 10 9.866 9.811 1.726 1.00 0.00 C ATOM 97 O ILE A 10 9.418 10.106 2.834 1.00 0.00 O ATOM 98 CB ILE A 10 12.053 10.904 1.221 1.00 0.00 C ATOM 99 CG1 ILE A 10 12.815 11.777 0.224 1.00 0.00 C ATOM 100 CG2 ILE A 10 12.632 9.498 1.254 1.00 0.00 C ATOM 101 CD1 ILE A 10 14.219 12.121 0.671 1.00 0.00 C ATOM 0 H ILE A 10 10.199 12.663 1.864 1.00 0.00 H new ATOM 0 HA ILE A 10 10.452 10.583 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 10 12.159 11.343 2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.864 11.261 -0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.258 12.700 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.690 9.546 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.104 8.904 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.517 9.034 0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.700 12.742 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.177 12.665 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.793 11.204 0.806 1.00 0.00 H new ATOM 113 N ILE A 11 9.786 8.587 1.214 1.00 0.00 N ATOM 114 CA ILE A 11 9.153 7.496 1.943 1.00 0.00 C ATOM 115 C ILE A 11 10.186 6.667 2.699 1.00 0.00 C ATOM 116 O ILE A 11 10.769 5.731 2.150 1.00 0.00 O ATOM 117 CB ILE A 11 8.362 6.572 0.999 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.237 7.350 0.312 1.00 0.00 C ATOM 119 CG2 ILE A 11 7.800 5.384 1.766 1.00 0.00 C ATOM 120 CD1 ILE A 11 6.824 6.766 -1.021 1.00 0.00 C ATOM 0 H ILE A 11 10.151 8.327 0.298 1.00 0.00 H new ATOM 0 HA ILE A 11 8.464 7.951 2.655 1.00 0.00 H new ATOM 0 HB ILE A 11 9.039 6.196 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.370 7.377 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.557 8.381 0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.244 4.741 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.618 4.819 2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.135 5.740 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.023 7.368 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.678 6.764 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.472 5.744 -0.877 1.00 0.00 H new ATOM 132 N LEU A 12 10.408 7.016 3.961 1.00 0.00 N ATOM 133 CA LEU A 12 11.370 6.303 4.795 1.00 0.00 C ATOM 134 C LEU A 12 11.177 4.794 4.681 1.00 0.00 C ATOM 135 O LEU A 12 12.129 4.055 4.433 1.00 0.00 O ATOM 136 CB LEU A 12 11.231 6.738 6.255 1.00 0.00 C ATOM 137 CG LEU A 12 11.459 8.223 6.537 1.00 0.00 C ATOM 138 CD1 LEU A 12 10.961 8.584 7.928 1.00 0.00 C ATOM 139 CD2 LEU A 12 12.932 8.574 6.389 1.00 0.00 C ATOM 0 H LEU A 12 9.935 7.789 4.430 1.00 0.00 H new ATOM 0 HA LEU A 12 12.372 6.550 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.231 6.473 6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.937 6.162 6.854 1.00 0.00 H new ATOM 0 HG LEU A 12 10.893 8.803 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.131 9.645 8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.895 8.370 8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.500 7.996 8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.076 9.635 6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.519 7.986 7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.258 8.353 5.373 1.00 0.00 H new ATOM 151 N GLN A 13 9.938 4.346 4.861 1.00 0.00 N ATOM 152 CA GLN A 13 9.621 2.926 4.776 1.00 0.00 C ATOM 153 C GLN A 13 8.376 2.696 3.925 1.00 0.00 C ATOM 154 O GLN A 13 7.256 2.701 4.433 1.00 0.00 O ATOM 155 CB GLN A 13 9.411 2.345 6.176 1.00 0.00 C ATOM 156 CG GLN A 13 9.507 0.828 6.225 1.00 0.00 C ATOM 157 CD GLN A 13 9.142 0.264 7.584 1.00 0.00 C ATOM 158 OE1 GLN A 13 7.966 0.194 7.944 1.00 0.00 O ATOM 159 NE2 GLN A 13 10.150 -0.141 8.348 1.00 0.00 N ATOM 0 H GLN A 13 9.139 4.946 5.066 1.00 0.00 H new ATOM 0 HA GLN A 13 10.461 2.419 4.302 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.153 2.770 6.852 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.432 2.651 6.544 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.847 0.401 5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.522 0.524 5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.109 -0.065 8.010 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.965 -0.529 9.273 1.00 0.00 H new ATOM 168 N GLY A 14 8.582 2.494 2.627 1.00 0.00 N ATOM 169 CA GLY A 14 7.467 2.265 1.727 1.00 0.00 C ATOM 170 C GLY A 14 7.071 0.804 1.653 1.00 0.00 C ATOM 171 O GLY A 14 7.561 -0.033 2.412 1.00 0.00 O ATOM 0 H GLY A 14 9.500 2.485 2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.611 2.854 2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.731 2.617 0.730 1.00 0.00 H new ATOM 175 N PRO A 15 6.162 0.479 0.722 1.00 0.00 N ATOM 176 CA PRO A 15 5.679 -0.892 0.532 1.00 0.00 C ATOM 177 C PRO A 15 6.749 -1.807 -0.053 1.00 0.00 C ATOM 178 O PRO A 15 7.635 -1.357 -0.779 1.00 0.00 O ATOM 179 CB PRO A 15 4.520 -0.726 -0.454 1.00 0.00 C ATOM 180 CG PRO A 15 4.830 0.528 -1.196 1.00 0.00 C ATOM 181 CD PRO A 15 5.535 1.425 -0.216 1.00 0.00 C ATOM 0 HA PRO A 15 5.391 -1.357 1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.450 -1.579 -1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.565 -0.652 0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.460 0.324 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.919 0.996 -1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.277 2.054 -0.708 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.838 2.092 0.292 1.00 0.00 H new ATOM 189 N ALA A 16 6.660 -3.094 0.267 1.00 0.00 N ATOM 190 CA ALA A 16 7.619 -4.073 -0.230 1.00 0.00 C ATOM 191 C ALA A 16 6.911 -5.241 -0.907 1.00 0.00 C ATOM 192 O ALA A 16 5.687 -5.353 -0.853 1.00 0.00 O ATOM 193 CB ALA A 16 8.499 -4.573 0.907 1.00 0.00 C ATOM 0 H ALA A 16 5.934 -3.483 0.868 1.00 0.00 H new ATOM 0 HA ALA A 16 8.248 -3.584 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.211 -5.303 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.041 -3.734 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.877 -5.040 1.670 1.00 0.00 H new ATOM 199 N ASN A 17 7.689 -6.110 -1.544 1.00 0.00 N ATOM 200 CA ASN A 17 7.135 -7.270 -2.233 1.00 0.00 C ATOM 201 C ASN A 17 6.870 -8.409 -1.254 1.00 0.00 C ATOM 202 O ASN A 17 7.799 -9.071 -0.791 1.00 0.00 O ATOM 203 CB ASN A 17 8.090 -7.739 -3.333 1.00 0.00 C ATOM 204 CG ASN A 17 9.539 -7.724 -2.887 1.00 0.00 C ATOM 205 OD1 ASN A 17 10.044 -8.709 -2.346 1.00 0.00 O ATOM 206 ND2 ASN A 17 10.215 -6.604 -3.111 1.00 0.00 N ATOM 0 H ASN A 17 8.705 -6.033 -1.597 1.00 0.00 H new ATOM 0 HA ASN A 17 6.188 -6.976 -2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.818 -8.749 -3.640 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.975 -7.098 -4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.194 -6.534 -2.832 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.756 -5.813 -3.562 1.00 0.00 H new ATOM 213 N GLN A 18 5.597 -8.631 -0.943 1.00 0.00 N ATOM 214 CA GLN A 18 5.211 -9.691 -0.019 1.00 0.00 C ATOM 215 C GLN A 18 4.284 -10.694 -0.698 1.00 0.00 C ATOM 216 O GLN A 18 3.442 -10.324 -1.516 1.00 0.00 O ATOM 217 CB GLN A 18 4.524 -9.096 1.212 1.00 0.00 C ATOM 218 CG GLN A 18 3.434 -8.091 0.875 1.00 0.00 C ATOM 219 CD GLN A 18 2.998 -7.279 2.078 1.00 0.00 C ATOM 220 OE1 GLN A 18 2.668 -7.831 3.128 1.00 0.00 O ATOM 221 NE2 GLN A 18 2.993 -5.959 1.931 1.00 0.00 N ATOM 0 H GLN A 18 4.816 -8.092 -1.317 1.00 0.00 H new ATOM 0 HA GLN A 18 6.115 -10.214 0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.092 -9.904 1.802 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.274 -8.610 1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.794 -7.417 0.098 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.572 -8.619 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.274 -5.544 1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.708 -5.361 2.706 1.00 0.00 H new ATOM 230 N THR A 19 4.446 -11.968 -0.353 1.00 0.00 N ATOM 231 CA THR A 19 3.626 -13.026 -0.930 1.00 0.00 C ATOM 232 C THR A 19 2.720 -13.655 0.122 1.00 0.00 C ATOM 233 O THR A 19 3.145 -14.527 0.881 1.00 0.00 O ATOM 234 CB THR A 19 4.495 -14.126 -1.567 1.00 0.00 C ATOM 235 OG1 THR A 19 5.391 -13.550 -2.524 1.00 0.00 O ATOM 236 CG2 THR A 19 3.627 -15.176 -2.245 1.00 0.00 C ATOM 0 H THR A 19 5.138 -12.292 0.323 1.00 0.00 H new ATOM 0 HA THR A 19 3.013 -12.564 -1.704 1.00 0.00 H new ATOM 0 HB THR A 19 5.070 -14.608 -0.776 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.941 -14.256 -2.923 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.263 -15.943 -2.688 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.967 -15.633 -1.508 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.029 -14.705 -3.025 1.00 0.00 H new ATOM 244 N LEU A 20 1.469 -13.209 0.163 1.00 0.00 N ATOM 245 CA LEU A 20 0.502 -13.729 1.123 1.00 0.00 C ATOM 246 C LEU A 20 -0.434 -14.736 0.462 1.00 0.00 C ATOM 247 O LEU A 20 -0.265 -15.080 -0.708 1.00 0.00 O ATOM 248 CB LEU A 20 -0.310 -12.584 1.730 1.00 0.00 C ATOM 249 CG LEU A 20 0.496 -11.476 2.410 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.384 -10.266 2.682 1.00 0.00 C ATOM 251 CD2 LEU A 20 1.119 -11.986 3.701 1.00 0.00 C ATOM 0 H LEU A 20 1.101 -12.488 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 20 1.051 -14.237 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.913 -12.135 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.002 -13.003 2.461 1.00 0.00 H new ATOM 0 HG LEU A 20 1.299 -11.172 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.206 -9.488 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.782 -9.887 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.208 -10.555 3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.689 -11.185 4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.332 -12.318 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.783 -12.821 3.479 1.00 0.00 H new ATOM 263 N ALA A 21 -1.421 -15.204 1.218 1.00 0.00 N ATOM 264 CA ALA A 21 -2.386 -16.168 0.704 1.00 0.00 C ATOM 265 C ALA A 21 -3.782 -15.560 0.627 1.00 0.00 C ATOM 266 O ALA A 21 -4.266 -14.967 1.592 1.00 0.00 O ATOM 267 CB ALA A 21 -2.399 -17.416 1.574 1.00 0.00 C ATOM 0 H ALA A 21 -1.574 -14.931 2.189 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.083 -16.445 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.124 -18.127 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.408 -17.870 1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.674 -17.146 2.594 1.00 0.00 H new ATOM 273 N VAL A 22 -4.426 -15.710 -0.526 1.00 0.00 N ATOM 274 CA VAL A 22 -5.767 -15.175 -0.728 1.00 0.00 C ATOM 275 C VAL A 22 -6.633 -15.381 0.509 1.00 0.00 C ATOM 276 O VAL A 22 -6.333 -16.223 1.357 1.00 0.00 O ATOM 277 CB VAL A 22 -6.457 -15.832 -1.939 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.526 -17.341 -1.759 1.00 0.00 C ATOM 279 CG2 VAL A 22 -7.846 -15.247 -2.143 1.00 0.00 C ATOM 0 H VAL A 22 -4.040 -16.198 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.656 -14.107 -0.917 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.866 -15.623 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.016 -17.789 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.517 -17.743 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.094 -17.574 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.318 -15.723 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.450 -15.424 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.767 -14.174 -2.320 1.00 0.00 H new ATOM 289 N ASP A 23 -7.708 -14.607 0.608 1.00 0.00 N ATOM 290 CA ASP A 23 -8.620 -14.705 1.741 1.00 0.00 C ATOM 291 C ASP A 23 -7.894 -14.411 3.050 1.00 0.00 C ATOM 292 O ASP A 23 -8.167 -15.031 4.077 1.00 0.00 O ATOM 293 CB ASP A 23 -9.252 -16.097 1.797 1.00 0.00 C ATOM 294 CG ASP A 23 -10.305 -16.213 2.881 1.00 0.00 C ATOM 295 OD1 ASP A 23 -11.475 -15.875 2.609 1.00 0.00 O ATOM 296 OD2 ASP A 23 -9.958 -16.641 4.002 1.00 0.00 O ATOM 0 H ASP A 23 -7.969 -13.904 -0.084 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.407 -13.962 1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.702 -16.327 0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.473 -16.839 1.971 1.00 0.00 H new ATOM 301 N GLY A 24 -6.965 -13.460 3.005 1.00 0.00 N ATOM 302 CA GLY A 24 -6.213 -13.101 4.192 1.00 0.00 C ATOM 303 C GLY A 24 -6.231 -11.609 4.461 1.00 0.00 C ATOM 304 O GLY A 24 -7.275 -10.965 4.363 1.00 0.00 O ATOM 0 H GLY A 24 -6.720 -12.932 2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.626 -13.627 5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.181 -13.434 4.079 1.00 0.00 H new ATOM 308 N THR A 25 -5.071 -11.057 4.803 1.00 0.00 N ATOM 309 CA THR A 25 -4.957 -9.632 5.090 1.00 0.00 C ATOM 310 C THR A 25 -3.579 -9.103 4.711 1.00 0.00 C ATOM 311 O THR A 25 -2.567 -9.523 5.272 1.00 0.00 O ATOM 312 CB THR A 25 -5.217 -9.337 6.579 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.418 -9.989 7.006 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.334 -7.839 6.821 1.00 0.00 C ATOM 0 H THR A 25 -4.197 -11.575 4.888 1.00 0.00 H new ATOM 0 HA THR A 25 -5.714 -9.127 4.490 1.00 0.00 H new ATOM 0 HB THR A 25 -4.373 -9.718 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.575 -9.797 7.954 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.518 -7.655 7.880 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.407 -7.349 6.523 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.161 -7.439 6.234 1.00 0.00 H new ATOM 322 N ALA A 26 -3.547 -8.179 3.757 1.00 0.00 N ATOM 323 CA ALA A 26 -2.292 -7.590 3.305 1.00 0.00 C ATOM 324 C ALA A 26 -2.083 -6.208 3.915 1.00 0.00 C ATOM 325 O ALA A 26 -2.915 -5.314 3.752 1.00 0.00 O ATOM 326 CB ALA A 26 -2.264 -7.509 1.786 1.00 0.00 C ATOM 0 H ALA A 26 -4.376 -7.822 3.282 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.477 -8.232 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.321 -7.067 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.358 -8.511 1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.092 -6.891 1.439 1.00 0.00 H new ATOM 332 N LEU A 27 -0.969 -6.039 4.617 1.00 0.00 N ATOM 333 CA LEU A 27 -0.651 -4.764 5.252 1.00 0.00 C ATOM 334 C LEU A 27 0.516 -4.081 4.547 1.00 0.00 C ATOM 335 O LEU A 27 1.662 -4.519 4.654 1.00 0.00 O ATOM 336 CB LEU A 27 -0.315 -4.978 6.729 1.00 0.00 C ATOM 337 CG LEU A 27 -1.493 -5.318 7.643 1.00 0.00 C ATOM 338 CD1 LEU A 27 -2.474 -4.157 7.704 1.00 0.00 C ATOM 339 CD2 LEU A 27 -2.190 -6.584 7.167 1.00 0.00 C ATOM 0 H LEU A 27 -0.270 -6.768 4.761 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.526 -4.119 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.419 -5.781 6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.163 -4.074 7.107 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.109 -5.495 8.648 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.306 -4.417 8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.968 -3.273 8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.852 -3.947 6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.026 -6.810 7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.561 -6.436 6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.484 -7.414 7.177 1.00 0.00 H new ATOM 351 N LEU A 28 0.217 -3.004 3.829 1.00 0.00 N ATOM 352 CA LEU A 28 1.242 -2.257 3.108 1.00 0.00 C ATOM 353 C LEU A 28 1.751 -1.086 3.942 1.00 0.00 C ATOM 354 O LEU A 28 1.061 -0.080 4.106 1.00 0.00 O ATOM 355 CB LEU A 28 0.687 -1.747 1.777 1.00 0.00 C ATOM 356 CG LEU A 28 0.402 -2.811 0.716 1.00 0.00 C ATOM 357 CD1 LEU A 28 1.683 -3.528 0.321 1.00 0.00 C ATOM 358 CD2 LEU A 28 -0.633 -3.805 1.223 1.00 0.00 C ATOM 0 H LEU A 28 -0.726 -2.629 3.731 1.00 0.00 H new ATOM 0 HA LEU A 28 2.077 -2.930 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.237 -1.204 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.395 -1.030 1.362 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.000 -2.316 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.460 -4.281 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.393 -2.807 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.115 -4.010 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.824 -4.555 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.258 -4.294 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.559 -3.279 1.455 1.00 0.00 H new ATOM 370 N LYS A 29 2.965 -1.223 4.465 1.00 0.00 N ATOM 371 CA LYS A 29 3.570 -0.176 5.280 1.00 0.00 C ATOM 372 C LYS A 29 4.153 0.927 4.403 1.00 0.00 C ATOM 373 O LYS A 29 5.003 0.672 3.549 1.00 0.00 O ATOM 374 CB LYS A 29 4.664 -0.764 6.173 1.00 0.00 C ATOM 375 CG LYS A 29 4.135 -1.694 7.252 1.00 0.00 C ATOM 376 CD LYS A 29 4.004 -3.120 6.743 1.00 0.00 C ATOM 377 CE LYS A 29 3.555 -4.065 7.846 1.00 0.00 C ATOM 378 NZ LYS A 29 4.037 -5.455 7.616 1.00 0.00 N ATOM 0 H LYS A 29 3.549 -2.049 4.339 1.00 0.00 H new ATOM 0 HA LYS A 29 2.791 0.257 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.374 -1.309 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.213 0.051 6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.805 -1.674 8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.164 -1.339 7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.287 -3.150 5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.961 -3.454 6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.927 -3.706 8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.467 -4.063 7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.710 -6.068 8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.662 -5.808 6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.077 -5.461 7.585 1.00 0.00 H new ATOM 392 N CYS A 30 3.692 2.155 4.619 1.00 0.00 N ATOM 393 CA CYS A 30 4.168 3.298 3.850 1.00 0.00 C ATOM 394 C CYS A 30 4.242 4.548 4.721 1.00 0.00 C ATOM 395 O CYS A 30 3.223 5.047 5.199 1.00 0.00 O ATOM 396 CB CYS A 30 3.250 3.551 2.652 1.00 0.00 C ATOM 397 SG CYS A 30 3.842 4.853 1.524 1.00 0.00 S ATOM 0 H CYS A 30 2.988 2.384 5.321 1.00 0.00 H new ATOM 0 HA CYS A 30 5.171 3.069 3.489 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.138 2.623 2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.260 3.824 3.018 1.00 0.00 H new ATOM 402 N LYS A 31 5.455 5.050 4.924 1.00 0.00 N ATOM 403 CA LYS A 31 5.664 6.243 5.736 1.00 0.00 C ATOM 404 C LYS A 31 6.504 7.272 4.987 1.00 0.00 C ATOM 405 O LYS A 31 7.536 6.939 4.405 1.00 0.00 O ATOM 406 CB LYS A 31 6.347 5.874 7.055 1.00 0.00 C ATOM 407 CG LYS A 31 6.527 7.052 7.998 1.00 0.00 C ATOM 408 CD LYS A 31 6.524 6.608 9.451 1.00 0.00 C ATOM 409 CE LYS A 31 7.377 7.524 10.315 1.00 0.00 C ATOM 410 NZ LYS A 31 6.722 8.841 10.543 1.00 0.00 N ATOM 0 H LYS A 31 6.309 4.649 4.537 1.00 0.00 H new ATOM 0 HA LYS A 31 4.689 6.682 5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.759 5.105 7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.323 5.439 6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.465 7.559 7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.727 7.775 7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.501 6.599 9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.899 5.587 9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.569 7.043 11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.344 7.678 9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.335 9.436 11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.562 9.312 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.811 8.697 11.023 1.00 0.00 H new ATOM 424 N ALA A 32 6.056 8.523 5.006 1.00 0.00 N ATOM 425 CA ALA A 32 6.769 9.600 4.331 1.00 0.00 C ATOM 426 C ALA A 32 6.928 10.810 5.245 1.00 0.00 C ATOM 427 O ALA A 32 6.014 11.163 5.991 1.00 0.00 O ATOM 428 CB ALA A 32 6.043 9.994 3.053 1.00 0.00 C ATOM 0 H ALA A 32 5.202 8.815 5.482 1.00 0.00 H new ATOM 0 HA ALA A 32 7.764 9.238 4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.587 10.799 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.986 9.133 2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.036 10.332 3.296 1.00 0.00 H new ATOM 434 N THR A 33 8.096 11.443 5.184 1.00 0.00 N ATOM 435 CA THR A 33 8.376 12.613 6.007 1.00 0.00 C ATOM 436 C THR A 33 8.427 13.880 5.163 1.00 0.00 C ATOM 437 O THR A 33 8.800 13.842 3.991 1.00 0.00 O ATOM 438 CB THR A 33 9.708 12.460 6.765 1.00 0.00 C ATOM 439 OG1 THR A 33 9.930 13.602 7.600 1.00 0.00 O ATOM 440 CG2 THR A 33 10.868 12.301 5.795 1.00 0.00 C ATOM 0 H THR A 33 8.863 11.164 4.573 1.00 0.00 H new ATOM 0 HA THR A 33 7.563 12.694 6.728 1.00 0.00 H new ATOM 0 HB THR A 33 9.648 11.564 7.383 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.778 13.496 8.080 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.798 12.195 6.354 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.710 11.414 5.181 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.929 13.180 5.153 1.00 0.00 H new ATOM 448 N GLY A 34 8.051 15.004 5.766 1.00 0.00 N ATOM 449 CA GLY A 34 8.063 16.268 5.054 1.00 0.00 C ATOM 450 C GLY A 34 7.063 17.259 5.615 1.00 0.00 C ATOM 451 O GLY A 34 6.057 16.869 6.208 1.00 0.00 O ATOM 0 H GLY A 34 7.738 15.061 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.063 16.699 5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.843 16.091 4.001 1.00 0.00 H new ATOM 455 N ASP A 35 7.340 18.545 5.431 1.00 0.00 N ATOM 456 CA ASP A 35 6.457 19.596 5.924 1.00 0.00 C ATOM 457 C ASP A 35 6.074 20.555 4.802 1.00 0.00 C ATOM 458 O ASP A 35 6.925 21.170 4.160 1.00 0.00 O ATOM 459 CB ASP A 35 7.131 20.365 7.062 1.00 0.00 C ATOM 460 CG ASP A 35 7.183 19.567 8.349 1.00 0.00 C ATOM 461 OD1 ASP A 35 6.198 19.611 9.115 1.00 0.00 O ATOM 462 OD2 ASP A 35 8.211 18.899 8.592 1.00 0.00 O ATOM 0 H ASP A 35 8.169 18.885 4.944 1.00 0.00 H new ATOM 0 HA ASP A 35 5.549 19.126 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.144 20.635 6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.592 21.296 7.237 1.00 0.00 H new ATOM 467 N PRO A 36 4.761 20.687 4.558 1.00 0.00 N ATOM 468 CA PRO A 36 3.739 19.960 5.316 1.00 0.00 C ATOM 469 C PRO A 36 3.745 18.466 5.012 1.00 0.00 C ATOM 470 O PRO A 36 4.236 18.036 3.967 1.00 0.00 O ATOM 471 CB PRO A 36 2.428 20.596 4.844 1.00 0.00 C ATOM 472 CG PRO A 36 2.733 21.129 3.487 1.00 0.00 C ATOM 473 CD PRO A 36 4.175 21.555 3.523 1.00 0.00 C ATOM 0 HA PRO A 36 3.901 20.032 6.391 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.622 19.863 4.809 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.108 21.390 5.519 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.570 20.368 2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.084 21.970 3.243 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.660 21.413 2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.276 22.610 3.779 1.00 0.00 H new ATOM 481 N LEU A 37 3.197 17.678 5.931 1.00 0.00 N ATOM 482 CA LEU A 37 3.139 16.230 5.761 1.00 0.00 C ATOM 483 C LEU A 37 2.482 15.863 4.434 1.00 0.00 C ATOM 484 O LEU A 37 1.487 16.459 4.020 1.00 0.00 O ATOM 485 CB LEU A 37 2.369 15.591 6.918 1.00 0.00 C ATOM 486 CG LEU A 37 1.995 14.119 6.744 1.00 0.00 C ATOM 487 CD1 LEU A 37 3.091 13.221 7.297 1.00 0.00 C ATOM 488 CD2 LEU A 37 0.666 13.822 7.423 1.00 0.00 C ATOM 0 H LEU A 37 2.787 18.017 6.801 1.00 0.00 H new ATOM 0 HA LEU A 37 4.160 15.849 5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.967 15.688 7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.454 16.161 7.078 1.00 0.00 H new ATOM 0 HG LEU A 37 1.889 13.914 5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.807 12.177 7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.023 13.414 6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.230 13.427 8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.416 12.770 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.744 14.044 8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.115 14.440 6.980 1.00 0.00 H new ATOM 500 N PRO A 38 3.049 14.858 3.751 1.00 0.00 N ATOM 501 CA PRO A 38 2.534 14.387 2.462 1.00 0.00 C ATOM 502 C PRO A 38 1.196 13.669 2.600 1.00 0.00 C ATOM 503 O PRO A 38 0.804 13.271 3.697 1.00 0.00 O ATOM 504 CB PRO A 38 3.615 13.416 1.980 1.00 0.00 C ATOM 505 CG PRO A 38 4.282 12.945 3.226 1.00 0.00 C ATOM 506 CD PRO A 38 4.237 14.103 4.184 1.00 0.00 C ATOM 0 HA PRO A 38 2.345 15.211 1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.181 12.585 1.424 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.323 13.910 1.314 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.768 12.077 3.639 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.310 12.643 3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.145 13.767 5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.141 14.709 4.125 1.00 0.00 H new ATOM 514 N VAL A 39 0.498 13.505 1.480 1.00 0.00 N ATOM 515 CA VAL A 39 -0.795 12.833 1.477 1.00 0.00 C ATOM 516 C VAL A 39 -0.667 11.397 0.980 1.00 0.00 C ATOM 517 O VAL A 39 -0.915 11.110 -0.191 1.00 0.00 O ATOM 518 CB VAL A 39 -1.814 13.580 0.595 1.00 0.00 C ATOM 519 CG1 VAL A 39 -3.101 12.780 0.470 1.00 0.00 C ATOM 520 CG2 VAL A 39 -2.090 14.966 1.158 1.00 0.00 C ATOM 0 H VAL A 39 0.807 13.829 0.563 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.151 12.828 2.507 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.389 13.696 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.808 13.324 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.885 11.812 0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.534 12.630 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.812 15.480 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.494 14.875 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.162 15.538 1.189 1.00 0.00 H new ATOM 530 N ILE A 40 -0.280 10.499 1.880 1.00 0.00 N ATOM 531 CA ILE A 40 -0.121 9.092 1.534 1.00 0.00 C ATOM 532 C ILE A 40 -1.274 8.606 0.663 1.00 0.00 C ATOM 533 O ILE A 40 -2.438 8.901 0.935 1.00 0.00 O ATOM 534 CB ILE A 40 -0.034 8.209 2.792 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.115 8.672 3.689 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.145 6.749 2.404 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.469 8.610 3.017 1.00 0.00 C ATOM 0 H ILE A 40 -0.071 10.721 2.853 1.00 0.00 H new ATOM 0 HA ILE A 40 0.812 9.008 0.977 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.966 8.305 3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.924 9.696 4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.136 8.055 4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.205 6.138 3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.704 6.426 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.063 6.636 1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.236 8.953 3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.681 7.583 2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.467 9.250 2.134 1.00 0.00 H new ATOM 549 N SER A 41 -0.944 7.858 -0.385 1.00 0.00 N ATOM 550 CA SER A 41 -1.952 7.331 -1.297 1.00 0.00 C ATOM 551 C SER A 41 -1.541 5.963 -1.830 1.00 0.00 C ATOM 552 O SER A 41 -0.451 5.472 -1.537 1.00 0.00 O ATOM 553 CB SER A 41 -2.173 8.300 -2.460 1.00 0.00 C ATOM 554 OG SER A 41 -3.111 9.304 -2.117 1.00 0.00 O ATOM 0 H SER A 41 0.014 7.603 -0.624 1.00 0.00 H new ATOM 0 HA SER A 41 -2.885 7.220 -0.744 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.226 8.763 -2.737 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.527 7.751 -3.333 1.00 0.00 H new ATOM 0 HG SER A 41 -3.130 9.415 -1.143 1.00 0.00 H new ATOM 560 N TRP A 42 -2.421 5.352 -2.615 1.00 0.00 N ATOM 561 CA TRP A 42 -2.150 4.039 -3.191 1.00 0.00 C ATOM 562 C TRP A 42 -2.723 3.934 -4.600 1.00 0.00 C ATOM 563 O TRP A 42 -3.886 4.264 -4.834 1.00 0.00 O ATOM 564 CB TRP A 42 -2.738 2.940 -2.304 1.00 0.00 C ATOM 565 CG TRP A 42 -2.081 2.846 -0.961 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.547 3.355 0.217 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.837 2.204 -0.658 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.668 3.069 1.234 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.611 2.363 0.723 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.107 1.509 -1.419 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.519 1.853 1.356 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.228 1.004 -0.790 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.427 1.177 0.586 1.00 0.00 C ATOM 0 H TRP A 42 -3.328 5.744 -2.867 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.069 3.910 -3.249 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.803 3.125 -2.167 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.644 1.982 -2.815 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.471 3.902 0.333 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.784 3.339 2.211 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.038 1.369 -2.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.674 1.986 2.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.964 0.466 -1.369 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.314 0.769 1.048 1.00 0.00 H new ATOM 584 N LEU A 43 -1.900 3.472 -5.535 1.00 0.00 N ATOM 585 CA LEU A 43 -2.326 3.323 -6.922 1.00 0.00 C ATOM 586 C LEU A 43 -2.211 1.871 -7.374 1.00 0.00 C ATOM 587 O LEU A 43 -1.123 1.295 -7.381 1.00 0.00 O ATOM 588 CB LEU A 43 -1.486 4.221 -7.833 1.00 0.00 C ATOM 589 CG LEU A 43 -1.699 5.726 -7.673 1.00 0.00 C ATOM 590 CD1 LEU A 43 -0.745 6.498 -8.572 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.142 6.097 -7.981 1.00 0.00 C ATOM 0 H LEU A 43 -0.935 3.194 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.372 3.623 -6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.433 4.002 -7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.696 3.953 -8.868 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.489 5.995 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.911 7.568 -8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.283 6.256 -8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.923 6.224 -9.612 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.275 7.172 -7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.380 5.814 -9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.807 5.571 -7.296 1.00 0.00 H new ATOM 603 N LYS A 44 -3.341 1.284 -7.753 1.00 0.00 N ATOM 604 CA LYS A 44 -3.368 -0.101 -8.210 1.00 0.00 C ATOM 605 C LYS A 44 -3.199 -0.177 -9.724 1.00 0.00 C ATOM 606 O LYS A 44 -4.112 0.161 -10.477 1.00 0.00 O ATOM 607 CB LYS A 44 -4.682 -0.770 -7.799 1.00 0.00 C ATOM 608 CG LYS A 44 -4.676 -2.279 -7.970 1.00 0.00 C ATOM 609 CD LYS A 44 -5.712 -2.945 -7.081 1.00 0.00 C ATOM 610 CE LYS A 44 -5.478 -4.445 -6.979 1.00 0.00 C ATOM 611 NZ LYS A 44 -6.110 -5.023 -5.761 1.00 0.00 N ATOM 0 H LYS A 44 -4.251 1.746 -7.753 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.537 -0.628 -7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.890 -0.532 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.495 -0.349 -8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.875 -2.529 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.686 -2.669 -7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.678 -2.502 -6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.709 -2.758 -7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.880 -4.936 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.407 -4.645 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.678 -5.945 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.965 -4.380 -4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.129 -5.148 -5.925 1.00 0.00 H new ATOM 625 N GLU A 45 -2.027 -0.626 -10.163 1.00 0.00 N ATOM 626 CA GLU A 45 -1.740 -0.747 -11.587 1.00 0.00 C ATOM 627 C GLU A 45 -2.052 0.556 -12.318 1.00 0.00 C ATOM 628 O GLU A 45 -2.598 0.548 -13.420 1.00 0.00 O ATOM 629 CB GLU A 45 -2.550 -1.893 -12.198 1.00 0.00 C ATOM 630 CG GLU A 45 -2.229 -3.251 -11.598 1.00 0.00 C ATOM 631 CD GLU A 45 -2.492 -4.391 -12.562 1.00 0.00 C ATOM 632 OE1 GLU A 45 -1.637 -4.634 -13.440 1.00 0.00 O ATOM 633 OE2 GLU A 45 -3.552 -5.040 -12.440 1.00 0.00 O ATOM 0 H GLU A 45 -1.261 -0.912 -9.553 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.677 -0.962 -11.700 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.612 -1.688 -12.064 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.364 -1.926 -13.272 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.183 -3.271 -11.294 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.826 -3.397 -10.698 1.00 0.00 H new ATOM 640 N GLY A 46 -1.701 1.677 -11.693 1.00 0.00 N ATOM 641 CA GLY A 46 -1.952 2.972 -12.297 1.00 0.00 C ATOM 642 C GLY A 46 -3.411 3.375 -12.221 1.00 0.00 C ATOM 643 O GLY A 46 -3.930 4.032 -13.125 1.00 0.00 O ATOM 0 H GLY A 46 -1.248 1.710 -10.780 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.344 3.726 -11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.639 2.949 -13.341 1.00 0.00 H new ATOM 647 N PHE A 47 -4.077 2.979 -11.141 1.00 0.00 N ATOM 648 CA PHE A 47 -5.487 3.301 -10.952 1.00 0.00 C ATOM 649 C PHE A 47 -5.773 3.654 -9.495 1.00 0.00 C ATOM 650 O PHE A 47 -5.072 3.209 -8.586 1.00 0.00 O ATOM 651 CB PHE A 47 -6.363 2.123 -11.385 1.00 0.00 C ATOM 652 CG PHE A 47 -6.397 1.916 -12.872 1.00 0.00 C ATOM 653 CD1 PHE A 47 -7.018 2.839 -13.699 1.00 0.00 C ATOM 654 CD2 PHE A 47 -5.809 0.799 -13.443 1.00 0.00 C ATOM 655 CE1 PHE A 47 -7.051 2.651 -15.068 1.00 0.00 C ATOM 656 CE2 PHE A 47 -5.838 0.607 -14.811 1.00 0.00 C ATOM 657 CZ PHE A 47 -6.461 1.534 -15.625 1.00 0.00 C ATOM 0 H PHE A 47 -3.663 2.435 -10.384 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.723 4.167 -11.570 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.997 1.214 -10.908 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.379 2.285 -11.025 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.481 3.715 -13.269 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.323 0.070 -12.812 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.538 3.377 -15.702 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.374 -0.267 -15.244 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.486 1.385 -16.694 1.00 0.00 H new ATOM 667 N THR A 48 -6.810 4.458 -9.280 1.00 0.00 N ATOM 668 CA THR A 48 -7.189 4.873 -7.936 1.00 0.00 C ATOM 669 C THR A 48 -7.336 3.671 -7.010 1.00 0.00 C ATOM 670 O THR A 48 -7.831 2.619 -7.416 1.00 0.00 O ATOM 671 CB THR A 48 -8.510 5.665 -7.944 1.00 0.00 C ATOM 672 OG1 THR A 48 -8.845 6.073 -6.613 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.640 4.827 -8.522 1.00 0.00 C ATOM 0 H THR A 48 -7.402 4.834 -10.020 1.00 0.00 H new ATOM 0 HA THR A 48 -6.390 5.517 -7.567 1.00 0.00 H new ATOM 0 HB THR A 48 -8.375 6.547 -8.571 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.685 6.577 -6.627 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.563 5.407 -8.517 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.395 4.543 -9.545 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.773 3.929 -7.918 1.00 0.00 H new ATOM 681 N PHE A 49 -6.904 3.834 -5.764 1.00 0.00 N ATOM 682 CA PHE A 49 -6.987 2.761 -4.780 1.00 0.00 C ATOM 683 C PHE A 49 -6.662 3.278 -3.382 1.00 0.00 C ATOM 684 O PHE A 49 -5.736 4.065 -3.183 1.00 0.00 O ATOM 685 CB PHE A 49 -6.032 1.625 -5.150 1.00 0.00 C ATOM 686 CG PHE A 49 -6.318 0.340 -4.426 1.00 0.00 C ATOM 687 CD1 PHE A 49 -5.870 0.146 -3.130 1.00 0.00 C ATOM 688 CD2 PHE A 49 -7.036 -0.672 -5.042 1.00 0.00 C ATOM 689 CE1 PHE A 49 -6.131 -1.036 -2.462 1.00 0.00 C ATOM 690 CE2 PHE A 49 -7.301 -1.856 -4.379 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.849 -2.037 -3.087 1.00 0.00 C ATOM 0 H PHE A 49 -6.493 4.699 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.009 2.382 -4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.090 1.448 -6.224 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.010 1.935 -4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.311 0.927 -2.636 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.393 -0.534 -6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.774 -1.177 -1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.861 -2.638 -4.871 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.056 -2.960 -2.566 1.00 0.00 H new ATOM 701 N PRO A 50 -7.443 2.828 -2.388 1.00 0.00 N ATOM 702 CA PRO A 50 -8.549 1.892 -2.613 1.00 0.00 C ATOM 703 C PRO A 50 -9.709 2.536 -3.364 1.00 0.00 C ATOM 704 O PRO A 50 -10.400 1.877 -4.140 1.00 0.00 O ATOM 705 CB PRO A 50 -8.979 1.505 -1.195 1.00 0.00 C ATOM 706 CG PRO A 50 -8.562 2.655 -0.345 1.00 0.00 C ATOM 707 CD PRO A 50 -7.306 3.198 -0.969 1.00 0.00 C ATOM 0 HA PRO A 50 -8.248 1.044 -3.228 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.055 1.341 -1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.498 0.581 -0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.341 3.417 -0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.381 2.336 0.682 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.228 4.278 -0.841 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.413 2.759 -0.523 1.00 0.00 H new ATOM 715 N GLY A 51 -9.917 3.828 -3.129 1.00 0.00 N ATOM 716 CA GLY A 51 -10.995 4.538 -3.792 1.00 0.00 C ATOM 717 C GLY A 51 -12.350 3.912 -3.529 1.00 0.00 C ATOM 718 O GLY A 51 -12.857 3.960 -2.409 1.00 0.00 O ATOM 0 H GLY A 51 -9.358 4.395 -2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.005 5.574 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.808 4.555 -4.866 1.00 0.00 H new ATOM 722 N ARG A 52 -12.938 3.323 -4.566 1.00 0.00 N ATOM 723 CA ARG A 52 -14.244 2.687 -4.443 1.00 0.00 C ATOM 724 C ARG A 52 -14.120 1.311 -3.795 1.00 0.00 C ATOM 725 O ARG A 52 -14.723 0.341 -4.255 1.00 0.00 O ATOM 726 CB ARG A 52 -14.904 2.558 -5.817 1.00 0.00 C ATOM 727 CG ARG A 52 -16.400 2.298 -5.752 1.00 0.00 C ATOM 728 CD ARG A 52 -16.883 1.518 -6.966 1.00 0.00 C ATOM 729 NE ARG A 52 -16.156 0.263 -7.135 1.00 0.00 N ATOM 730 CZ ARG A 52 -16.476 -0.655 -8.040 1.00 0.00 C ATOM 731 NH1 ARG A 52 -17.504 -0.459 -8.853 1.00 0.00 N ATOM 732 NH2 ARG A 52 -15.766 -1.773 -8.132 1.00 0.00 N ATOM 0 H ARG A 52 -12.531 3.273 -5.500 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.867 3.315 -3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.727 3.473 -6.383 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.426 1.746 -6.365 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.635 1.742 -4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.933 3.247 -5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.948 1.309 -6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.764 2.129 -7.861 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.359 0.081 -6.525 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.052 0.399 -8.785 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.747 -1.166 -9.547 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.974 -1.927 -7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.012 -2.478 -8.827 1.00 0.00 H new ATOM 746 N ASP A 53 -13.334 1.235 -2.727 1.00 0.00 N ATOM 747 CA ASP A 53 -13.131 -0.022 -2.016 1.00 0.00 C ATOM 748 C ASP A 53 -13.272 0.177 -0.510 1.00 0.00 C ATOM 749 O ASP A 53 -12.371 0.679 0.162 1.00 0.00 O ATOM 750 CB ASP A 53 -11.752 -0.599 -2.339 1.00 0.00 C ATOM 751 CG ASP A 53 -11.754 -1.428 -3.608 1.00 0.00 C ATOM 752 OD1 ASP A 53 -12.785 -2.072 -3.895 1.00 0.00 O ATOM 753 OD2 ASP A 53 -10.725 -1.432 -4.316 1.00 0.00 O ATOM 0 H ASP A 53 -12.827 2.028 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.896 -0.725 -2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.035 0.216 -2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.415 -1.216 -1.506 1.00 0.00 H new ATOM 758 N PRO A 54 -14.431 -0.226 0.034 1.00 0.00 N ATOM 759 CA PRO A 54 -14.718 -0.101 1.466 1.00 0.00 C ATOM 760 C PRO A 54 -13.878 -1.053 2.311 1.00 0.00 C ATOM 761 O PRO A 54 -13.289 -0.652 3.315 1.00 0.00 O ATOM 762 CB PRO A 54 -16.201 -0.468 1.564 1.00 0.00 C ATOM 763 CG PRO A 54 -16.455 -1.339 0.382 1.00 0.00 C ATOM 764 CD PRO A 54 -15.549 -0.833 -0.707 1.00 0.00 C ATOM 0 HA PRO A 54 -14.485 0.895 1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.419 -0.991 2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -16.831 0.421 1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -16.242 -2.383 0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -17.500 -1.287 0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -15.210 -1.641 -1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -16.053 -0.104 -1.342 1.00 0.00 H new ATOM 772 N ARG A 55 -13.826 -2.315 1.898 1.00 0.00 N ATOM 773 CA ARG A 55 -13.058 -3.324 2.617 1.00 0.00 C ATOM 774 C ARG A 55 -11.663 -2.807 2.954 1.00 0.00 C ATOM 775 O ARG A 55 -11.206 -2.922 4.091 1.00 0.00 O ATOM 776 CB ARG A 55 -12.953 -4.604 1.786 1.00 0.00 C ATOM 777 CG ARG A 55 -14.191 -5.483 1.860 1.00 0.00 C ATOM 778 CD ARG A 55 -14.116 -6.636 0.872 1.00 0.00 C ATOM 779 NE ARG A 55 -14.142 -6.174 -0.513 1.00 0.00 N ATOM 780 CZ ARG A 55 -15.246 -5.770 -1.131 1.00 0.00 C ATOM 781 NH1 ARG A 55 -16.407 -5.771 -0.491 1.00 0.00 N ATOM 782 NH2 ARG A 55 -15.190 -5.363 -2.393 1.00 0.00 N ATOM 0 H ARG A 55 -14.307 -2.663 1.069 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.579 -3.546 3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.769 -4.337 0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.090 -5.177 2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.300 -5.875 2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.077 -4.883 1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.203 -7.204 1.047 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.952 -7.315 1.043 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.265 -6.161 -1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.454 -6.083 0.479 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.253 -5.460 -0.969 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.299 -5.360 -2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.038 -5.053 -2.867 1.00 0.00 H new ATOM 796 N ALA A 56 -10.992 -2.239 1.958 1.00 0.00 N ATOM 797 CA ALA A 56 -9.650 -1.703 2.149 1.00 0.00 C ATOM 798 C ALA A 56 -9.693 -0.351 2.853 1.00 0.00 C ATOM 799 O ALA A 56 -10.727 0.317 2.874 1.00 0.00 O ATOM 800 CB ALA A 56 -8.934 -1.581 0.812 1.00 0.00 C ATOM 0 H ALA A 56 -11.356 -2.138 1.010 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.097 -2.396 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.933 -1.179 0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.861 -2.564 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.494 -0.912 0.159 1.00 0.00 H new ATOM 806 N THR A 57 -8.564 0.048 3.430 1.00 0.00 N ATOM 807 CA THR A 57 -8.474 1.319 4.136 1.00 0.00 C ATOM 808 C THR A 57 -7.040 1.610 4.565 1.00 0.00 C ATOM 809 O THR A 57 -6.211 0.703 4.645 1.00 0.00 O ATOM 810 CB THR A 57 -9.383 1.337 5.379 1.00 0.00 C ATOM 811 OG1 THR A 57 -9.398 2.647 5.957 1.00 0.00 O ATOM 812 CG2 THR A 57 -8.906 0.327 6.413 1.00 0.00 C ATOM 0 H THR A 57 -7.699 -0.492 3.422 1.00 0.00 H new ATOM 0 HA THR A 57 -8.806 2.090 3.441 1.00 0.00 H new ATOM 0 HB THR A 57 -10.392 1.066 5.067 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.980 2.650 6.746 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.563 0.358 7.282 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.924 -0.673 5.980 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.889 0.572 6.719 1.00 0.00 H new ATOM 820 N ILE A 58 -6.755 2.878 4.840 1.00 0.00 N ATOM 821 CA ILE A 58 -5.421 3.286 5.263 1.00 0.00 C ATOM 822 C ILE A 58 -5.436 3.816 6.693 1.00 0.00 C ATOM 823 O ILE A 58 -6.196 4.727 7.019 1.00 0.00 O ATOM 824 CB ILE A 58 -4.842 4.368 4.332 1.00 0.00 C ATOM 825 CG1 ILE A 58 -4.674 3.816 2.915 1.00 0.00 C ATOM 826 CG2 ILE A 58 -3.512 4.874 4.871 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.914 3.955 2.061 1.00 0.00 C ATOM 0 H ILE A 58 -7.430 3.640 4.778 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.789 2.399 5.213 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.539 5.205 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.848 4.334 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.400 2.763 2.974 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.115 5.638 4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.660 5.301 5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.806 4.046 4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.722 3.543 1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.738 3.414 2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.177 5.009 1.971 1.00 0.00 H new ATOM 839 N GLN A 59 -4.588 3.241 7.540 1.00 0.00 N ATOM 840 CA GLN A 59 -4.503 3.656 8.935 1.00 0.00 C ATOM 841 C GLN A 59 -3.688 4.938 9.072 1.00 0.00 C ATOM 842 O GLN A 59 -3.022 5.364 8.130 1.00 0.00 O ATOM 843 CB GLN A 59 -3.878 2.547 9.782 1.00 0.00 C ATOM 844 CG GLN A 59 -4.613 1.220 9.684 1.00 0.00 C ATOM 845 CD GLN A 59 -6.096 1.351 9.970 1.00 0.00 C ATOM 846 OE1 GLN A 59 -6.496 1.796 11.046 1.00 0.00 O ATOM 847 NE2 GLN A 59 -6.921 0.963 9.004 1.00 0.00 N ATOM 0 H GLN A 59 -3.951 2.487 7.284 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.514 3.850 9.293 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.843 2.404 9.472 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.857 2.865 10.824 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.475 0.806 8.685 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.173 0.512 10.387 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.545 0.600 8.128 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.930 1.028 9.138 1.00 0.00 H new ATOM 856 N GLU A 60 -3.747 5.547 10.252 1.00 0.00 N ATOM 857 CA GLU A 60 -3.015 6.781 10.511 1.00 0.00 C ATOM 858 C GLU A 60 -1.573 6.671 10.022 1.00 0.00 C ATOM 859 O GLU A 60 -1.026 7.618 9.458 1.00 0.00 O ATOM 860 CB GLU A 60 -3.034 7.108 12.006 1.00 0.00 C ATOM 861 CG GLU A 60 -2.203 8.325 12.374 1.00 0.00 C ATOM 862 CD GLU A 60 -2.611 8.930 13.703 1.00 0.00 C ATOM 863 OE1 GLU A 60 -2.343 8.301 14.748 1.00 0.00 O ATOM 864 OE2 GLU A 60 -3.199 10.032 13.699 1.00 0.00 O ATOM 0 H GLU A 60 -4.294 5.206 11.043 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.506 7.586 9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.065 7.274 12.320 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.666 6.246 12.562 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.151 8.043 12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.301 9.077 11.591 1.00 0.00 H new ATOM 871 N GLN A 61 -0.966 5.510 10.244 1.00 0.00 N ATOM 872 CA GLN A 61 0.411 5.277 9.827 1.00 0.00 C ATOM 873 C GLN A 61 0.472 4.838 8.368 1.00 0.00 C ATOM 874 O GLN A 61 1.245 3.952 8.007 1.00 0.00 O ATOM 875 CB GLN A 61 1.064 4.218 10.718 1.00 0.00 C ATOM 876 CG GLN A 61 1.253 4.667 12.158 1.00 0.00 C ATOM 877 CD GLN A 61 1.412 3.503 13.116 1.00 0.00 C ATOM 878 OE1 GLN A 61 1.405 2.342 12.707 1.00 0.00 O ATOM 879 NE2 GLN A 61 1.556 3.808 14.400 1.00 0.00 N ATOM 0 H GLN A 61 -1.406 4.716 10.710 1.00 0.00 H new ATOM 0 HA GLN A 61 0.958 6.215 9.928 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.452 3.316 10.705 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.034 3.951 10.299 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.132 5.308 12.222 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.397 5.269 12.462 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.556 4.784 14.695 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.667 3.066 15.091 1.00 0.00 H new ATOM 888 N GLY A 62 -0.351 5.465 7.532 1.00 0.00 N ATOM 889 CA GLY A 62 -0.376 5.125 6.121 1.00 0.00 C ATOM 890 C GLY A 62 -0.239 3.634 5.882 1.00 0.00 C ATOM 891 O GLY A 62 0.619 3.197 5.114 1.00 0.00 O ATOM 0 H GLY A 62 -1.000 6.202 7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.310 5.476 5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.433 5.648 5.610 1.00 0.00 H new ATOM 895 N THR A 63 -1.085 2.850 6.542 1.00 0.00 N ATOM 896 CA THR A 63 -1.053 1.400 6.399 1.00 0.00 C ATOM 897 C THR A 63 -2.273 0.895 5.637 1.00 0.00 C ATOM 898 O THR A 63 -3.386 0.884 6.165 1.00 0.00 O ATOM 899 CB THR A 63 -0.994 0.702 7.771 1.00 0.00 C ATOM 900 OG1 THR A 63 0.228 1.037 8.439 1.00 0.00 O ATOM 901 CG2 THR A 63 -1.094 -0.808 7.614 1.00 0.00 C ATOM 0 H THR A 63 -1.801 3.195 7.181 1.00 0.00 H new ATOM 0 HA THR A 63 -0.151 1.158 5.837 1.00 0.00 H new ATOM 0 HB THR A 63 -1.839 1.047 8.366 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.456 1.972 8.255 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.050 -1.280 8.596 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.038 -1.062 7.131 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.266 -1.166 7.002 1.00 0.00 H new ATOM 909 N LEU A 64 -2.058 0.478 4.394 1.00 0.00 N ATOM 910 CA LEU A 64 -3.141 -0.029 3.559 1.00 0.00 C ATOM 911 C LEU A 64 -3.502 -1.460 3.945 1.00 0.00 C ATOM 912 O LEU A 64 -2.742 -2.393 3.685 1.00 0.00 O ATOM 913 CB LEU A 64 -2.743 0.028 2.083 1.00 0.00 C ATOM 914 CG LEU A 64 -3.888 0.206 1.086 1.00 0.00 C ATOM 915 CD1 LEU A 64 -3.395 -0.005 -0.337 1.00 0.00 C ATOM 916 CD2 LEU A 64 -5.027 -0.751 1.405 1.00 0.00 C ATOM 0 H LEU A 64 -1.143 0.481 3.942 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.015 0.602 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.040 0.850 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.211 -0.891 1.835 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.263 1.226 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.224 0.126 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.614 0.721 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.993 -1.013 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.833 -0.610 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.666 -1.778 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.399 -0.552 2.410 1.00 0.00 H new ATOM 928 N GLN A 65 -4.666 -1.625 4.565 1.00 0.00 N ATOM 929 CA GLN A 65 -5.128 -2.943 4.985 1.00 0.00 C ATOM 930 C GLN A 65 -6.294 -3.412 4.121 1.00 0.00 C ATOM 931 O GLN A 65 -7.321 -2.739 4.030 1.00 0.00 O ATOM 932 CB GLN A 65 -5.546 -2.915 6.456 1.00 0.00 C ATOM 933 CG GLN A 65 -6.131 -4.229 6.947 1.00 0.00 C ATOM 934 CD GLN A 65 -6.922 -4.072 8.231 1.00 0.00 C ATOM 935 OE1 GLN A 65 -7.325 -2.967 8.594 1.00 0.00 O ATOM 936 NE2 GLN A 65 -7.150 -5.181 8.925 1.00 0.00 N ATOM 0 H GLN A 65 -5.306 -0.863 4.788 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.304 -3.646 4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.679 -2.662 7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.281 -2.123 6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.778 -4.645 6.175 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.324 -4.944 7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.797 -6.076 8.586 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.678 -5.138 9.797 1.00 0.00 H new ATOM 945 N ILE A 66 -6.127 -4.568 3.488 1.00 0.00 N ATOM 946 CA ILE A 66 -7.166 -5.127 2.632 1.00 0.00 C ATOM 947 C ILE A 66 -7.631 -6.485 3.147 1.00 0.00 C ATOM 948 O ILE A 66 -6.829 -7.402 3.323 1.00 0.00 O ATOM 949 CB ILE A 66 -6.677 -5.281 1.180 1.00 0.00 C ATOM 950 CG1 ILE A 66 -5.941 -4.017 0.730 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.848 -5.576 0.255 1.00 0.00 C ATOM 952 CD1 ILE A 66 -5.006 -4.246 -0.437 1.00 0.00 C ATOM 0 H ILE A 66 -5.282 -5.136 3.552 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.002 -4.428 2.653 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.982 -6.120 1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.674 -3.258 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.371 -3.620 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.486 -5.682 -0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.333 -6.501 0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.565 -4.756 0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.519 -3.308 -0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.251 -4.981 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.574 -4.614 -1.291 1.00 0.00 H new ATOM 964 N LYS A 67 -8.933 -6.607 3.385 1.00 0.00 N ATOM 965 CA LYS A 67 -9.507 -7.854 3.876 1.00 0.00 C ATOM 966 C LYS A 67 -10.180 -8.626 2.746 1.00 0.00 C ATOM 967 O LYS A 67 -10.562 -8.048 1.729 1.00 0.00 O ATOM 968 CB LYS A 67 -10.519 -7.570 4.988 1.00 0.00 C ATOM 969 CG LYS A 67 -9.932 -6.814 6.167 1.00 0.00 C ATOM 970 CD LYS A 67 -10.727 -7.058 7.439 1.00 0.00 C ATOM 971 CE LYS A 67 -10.403 -8.413 8.047 1.00 0.00 C ATOM 972 NZ LYS A 67 -10.853 -8.507 9.464 1.00 0.00 N ATOM 0 H LYS A 67 -9.610 -5.857 3.246 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.698 -8.464 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.348 -6.995 4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.932 -8.515 5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.898 -7.122 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.918 -5.747 5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.509 -6.272 8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.793 -7.002 7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.882 -9.198 7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.328 -8.587 7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.614 -9.446 9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.377 -7.774 10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.882 -8.367 9.511 1.00 0.00 H new ATOM 986 N ASN A 68 -10.325 -9.934 2.932 1.00 0.00 N ATOM 987 CA ASN A 68 -10.953 -10.784 1.928 1.00 0.00 C ATOM 988 C ASN A 68 -10.217 -10.688 0.596 1.00 0.00 C ATOM 989 O ASN A 68 -10.830 -10.482 -0.452 1.00 0.00 O ATOM 990 CB ASN A 68 -12.420 -10.390 1.742 1.00 0.00 C ATOM 991 CG ASN A 68 -13.275 -10.765 2.938 1.00 0.00 C ATOM 992 OD1 ASN A 68 -13.942 -11.799 2.938 1.00 0.00 O ATOM 993 ND2 ASN A 68 -13.259 -9.921 3.963 1.00 0.00 N ATOM 0 H ASN A 68 -10.016 -10.428 3.769 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.902 -11.815 2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.486 -9.315 1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.814 -10.877 0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.815 -10.118 4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.690 -9.075 3.918 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.898 -10.839 0.643 1.00 0.00 N ATOM 1001 CA LEU A 69 -8.076 -10.771 -0.560 1.00 0.00 C ATOM 1002 C LEU A 69 -8.597 -11.724 -1.631 1.00 0.00 C ATOM 1003 O LEU A 69 -9.396 -12.616 -1.346 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.621 -11.106 -0.228 1.00 0.00 C ATOM 1005 CG LEU A 69 -5.934 -10.185 0.781 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.705 -10.860 1.369 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.557 -8.863 0.127 1.00 0.00 C ATOM 0 H LEU A 69 -8.375 -11.009 1.502 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.129 -9.754 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.582 -12.126 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.045 -11.092 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.634 -9.980 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.229 -10.190 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.001 -11.779 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.002 -11.096 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.069 -8.220 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.875 -9.049 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.456 -8.372 -0.245 1.00 0.00 H new ATOM 1019 N ARG A 70 -8.138 -11.530 -2.863 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.558 -12.373 -3.976 1.00 0.00 C ATOM 1021 C ARG A 70 -7.458 -12.470 -5.029 1.00 0.00 C ATOM 1022 O ARG A 70 -6.649 -11.554 -5.182 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.837 -11.821 -4.608 1.00 0.00 C ATOM 1024 CG ARG A 70 -10.984 -11.664 -3.624 1.00 0.00 C ATOM 1025 CD ARG A 70 -12.299 -11.394 -4.339 1.00 0.00 C ATOM 1026 NE ARG A 70 -12.721 -12.528 -5.155 1.00 0.00 N ATOM 1027 CZ ARG A 70 -13.912 -12.612 -5.738 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -14.794 -11.631 -5.595 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -14.223 -13.677 -6.466 1.00 0.00 N ATOM 0 H ARG A 70 -7.475 -10.797 -3.116 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.755 -13.372 -3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.621 -10.852 -5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.149 -12.485 -5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.075 -12.568 -3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.767 -10.845 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.072 -11.169 -3.604 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.194 -10.512 -4.971 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.065 -13.299 -5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.558 -10.811 -5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.708 -11.697 -6.043 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.547 -14.433 -6.579 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.138 -13.740 -6.913 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.434 -13.585 -5.752 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.434 -13.800 -6.790 1.00 0.00 C ATOM 1045 C ILE A 71 -6.359 -12.607 -7.737 1.00 0.00 C ATOM 1046 O ILE A 71 -5.300 -12.303 -8.286 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.736 -15.071 -7.607 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.804 -16.291 -6.686 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.680 -15.271 -8.683 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -5.459 -16.703 -6.128 1.00 0.00 C ATOM 0 H ILE A 71 -8.096 -14.353 -5.638 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.476 -13.921 -6.285 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.704 -14.952 -8.093 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.480 -16.075 -5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.232 -17.129 -7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.907 -16.173 -9.252 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.675 -14.411 -9.353 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.700 -15.373 -8.217 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.583 -17.574 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.785 -16.951 -6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.038 -15.881 -5.549 1.00 0.00 H new ATOM 1062 N SER A 72 -7.489 -11.933 -7.922 1.00 0.00 N ATOM 1063 CA SER A 72 -7.552 -10.773 -8.804 1.00 0.00 C ATOM 1064 C SER A 72 -6.776 -9.600 -8.214 1.00 0.00 C ATOM 1065 O SER A 72 -6.077 -8.882 -8.929 1.00 0.00 O ATOM 1066 CB SER A 72 -9.008 -10.368 -9.045 1.00 0.00 C ATOM 1067 OG SER A 72 -9.090 -9.274 -9.942 1.00 0.00 O ATOM 0 H SER A 72 -8.374 -12.170 -7.473 1.00 0.00 H new ATOM 0 HA SER A 72 -7.096 -11.045 -9.756 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.563 -11.215 -9.448 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.477 -10.102 -8.098 1.00 0.00 H new ATOM 0 HG SER A 72 -10.030 -9.035 -10.081 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.906 -9.411 -6.905 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.217 -8.325 -6.218 1.00 0.00 C ATOM 1075 C ASP A 73 -4.753 -8.256 -6.641 1.00 0.00 C ATOM 1076 O ASP A 73 -4.192 -7.172 -6.803 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.314 -8.510 -4.702 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.693 -8.179 -4.166 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -7.965 -6.984 -3.927 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -8.500 -9.115 -3.985 1.00 0.00 O ATOM 0 H ASP A 73 -7.482 -9.996 -6.299 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.701 -7.388 -6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.066 -9.541 -4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.575 -7.875 -4.213 1.00 0.00 H new ATOM 1085 N THR A 74 -4.138 -9.422 -6.818 1.00 0.00 N ATOM 1086 CA THR A 74 -2.739 -9.494 -7.220 1.00 0.00 C ATOM 1087 C THR A 74 -2.388 -8.375 -8.194 1.00 0.00 C ATOM 1088 O THR A 74 -3.055 -8.191 -9.211 1.00 0.00 O ATOM 1089 CB THR A 74 -2.412 -10.849 -7.875 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.710 -11.916 -6.968 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.947 -10.915 -8.280 1.00 0.00 C ATOM 0 H THR A 74 -4.587 -10.329 -6.689 1.00 0.00 H new ATOM 0 HA THR A 74 -2.144 -9.383 -6.313 1.00 0.00 H new ATOM 0 HB THR A 74 -3.025 -10.952 -8.770 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.589 -12.293 -7.184 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.740 -11.881 -8.740 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.730 -10.119 -8.993 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.320 -10.792 -7.397 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.335 -7.628 -7.875 1.00 0.00 N ATOM 1100 CA GLY A 75 -0.913 -6.536 -8.733 1.00 0.00 C ATOM 1101 C GLY A 75 0.278 -5.785 -8.172 1.00 0.00 C ATOM 1102 O GLY A 75 1.087 -6.349 -7.434 1.00 0.00 O ATOM 0 H GLY A 75 -0.767 -7.760 -7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.660 -6.929 -9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.744 -5.844 -8.870 1.00 0.00 H new ATOM 1106 N THR A 76 0.390 -4.507 -8.523 1.00 0.00 N ATOM 1107 CA THR A 76 1.492 -3.679 -8.052 1.00 0.00 C ATOM 1108 C THR A 76 0.981 -2.388 -7.423 1.00 0.00 C ATOM 1109 O THR A 76 0.318 -1.585 -8.081 1.00 0.00 O ATOM 1110 CB THR A 76 2.461 -3.329 -9.198 1.00 0.00 C ATOM 1111 OG1 THR A 76 3.055 -4.524 -9.719 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.551 -2.384 -8.715 1.00 0.00 C ATOM 0 H THR A 76 -0.270 -4.024 -9.132 1.00 0.00 H new ATOM 0 HA THR A 76 2.024 -4.261 -7.299 1.00 0.00 H new ATOM 0 HB THR A 76 1.894 -2.832 -9.985 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.668 -4.294 -10.448 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.223 -2.151 -9.541 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.098 -1.464 -8.346 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.114 -2.859 -7.912 1.00 0.00 H new ATOM 1120 N TYR A 77 1.292 -2.193 -6.147 1.00 0.00 N ATOM 1121 CA TYR A 77 0.862 -1.000 -5.428 1.00 0.00 C ATOM 1122 C TYR A 77 1.964 0.055 -5.414 1.00 0.00 C ATOM 1123 O TYR A 77 3.110 -0.231 -5.064 1.00 0.00 O ATOM 1124 CB TYR A 77 0.465 -1.357 -3.995 1.00 0.00 C ATOM 1125 CG TYR A 77 -0.825 -2.140 -3.902 1.00 0.00 C ATOM 1126 CD1 TYR A 77 -2.056 -1.496 -3.938 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.814 -3.524 -3.777 1.00 0.00 C ATOM 1128 CE1 TYR A 77 -3.237 -2.207 -3.852 1.00 0.00 C ATOM 1129 CE2 TYR A 77 -1.991 -4.243 -3.693 1.00 0.00 C ATOM 1130 CZ TYR A 77 -3.200 -3.580 -3.730 1.00 0.00 C ATOM 1131 OH TYR A 77 -4.374 -4.293 -3.645 1.00 0.00 O ATOM 0 H TYR A 77 1.841 -2.847 -5.588 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.004 -0.588 -5.946 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.267 -1.938 -3.539 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.366 -0.440 -3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.090 -0.421 -4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.131 -4.047 -3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.185 -1.690 -3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.964 -5.319 -3.599 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.100 -3.696 -3.367 1.00 0.00 H new ATOM 1141 N THR A 78 1.610 1.278 -5.797 1.00 0.00 N ATOM 1142 CA THR A 78 2.567 2.376 -5.830 1.00 0.00 C ATOM 1143 C THR A 78 2.163 3.486 -4.866 1.00 0.00 C ATOM 1144 O THR A 78 1.266 4.278 -5.156 1.00 0.00 O ATOM 1145 CB THR A 78 2.698 2.965 -7.248 1.00 0.00 C ATOM 1146 OG1 THR A 78 3.332 2.018 -8.115 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.502 4.256 -7.225 1.00 0.00 C ATOM 0 H THR A 78 0.666 1.533 -6.089 1.00 0.00 H new ATOM 0 HA THR A 78 3.530 1.966 -5.525 1.00 0.00 H new ATOM 0 HB THR A 78 1.697 3.185 -7.620 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.410 2.399 -9.014 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.581 4.653 -8.237 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.002 4.985 -6.587 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.500 4.056 -6.834 1.00 0.00 H new ATOM 1155 N CYS A 79 2.832 3.539 -3.719 1.00 0.00 N ATOM 1156 CA CYS A 79 2.543 4.553 -2.712 1.00 0.00 C ATOM 1157 C CYS A 79 3.080 5.915 -3.141 1.00 0.00 C ATOM 1158 O CYS A 79 4.286 6.092 -3.316 1.00 0.00 O ATOM 1159 CB CYS A 79 3.153 4.153 -1.367 1.00 0.00 C ATOM 1160 SG CYS A 79 2.457 5.047 0.060 1.00 0.00 S ATOM 0 H CYS A 79 3.578 2.892 -3.464 1.00 0.00 H new ATOM 0 HA CYS A 79 1.461 4.626 -2.606 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.008 3.083 -1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.228 4.327 -1.402 1.00 0.00 H new ATOM 1165 N VAL A 80 2.176 6.875 -3.310 1.00 0.00 N ATOM 1166 CA VAL A 80 2.558 8.222 -3.718 1.00 0.00 C ATOM 1167 C VAL A 80 2.277 9.231 -2.610 1.00 0.00 C ATOM 1168 O VAL A 80 1.145 9.361 -2.147 1.00 0.00 O ATOM 1169 CB VAL A 80 1.812 8.655 -4.993 1.00 0.00 C ATOM 1170 CG1 VAL A 80 2.363 9.973 -5.513 1.00 0.00 C ATOM 1171 CG2 VAL A 80 1.904 7.572 -6.058 1.00 0.00 C ATOM 0 H VAL A 80 1.174 6.745 -3.171 1.00 0.00 H new ATOM 0 HA VAL A 80 3.628 8.200 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 80 0.761 8.801 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.823 10.263 -6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.240 10.744 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.422 9.858 -5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.371 7.895 -6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.950 7.392 -6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.456 6.652 -5.681 1.00 0.00 H new ATOM 1181 N ALA A 81 3.317 9.944 -2.190 1.00 0.00 N ATOM 1182 CA ALA A 81 3.182 10.945 -1.138 1.00 0.00 C ATOM 1183 C ALA A 81 3.316 12.355 -1.702 1.00 0.00 C ATOM 1184 O ALA A 81 4.423 12.874 -1.850 1.00 0.00 O ATOM 1185 CB ALA A 81 4.218 10.709 -0.050 1.00 0.00 C ATOM 0 H ALA A 81 4.262 9.847 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 81 2.187 10.849 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.106 11.463 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.074 9.718 0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.218 10.776 -0.479 1.00 0.00 H new ATOM 1191 N THR A 82 2.181 12.972 -2.017 1.00 0.00 N ATOM 1192 CA THR A 82 2.172 14.322 -2.566 1.00 0.00 C ATOM 1193 C THR A 82 2.220 15.367 -1.458 1.00 0.00 C ATOM 1194 O THR A 82 1.762 15.124 -0.341 1.00 0.00 O ATOM 1195 CB THR A 82 0.924 14.567 -3.434 1.00 0.00 C ATOM 1196 OG1 THR A 82 0.788 13.522 -4.403 1.00 0.00 O ATOM 1197 CG2 THR A 82 1.010 15.912 -4.140 1.00 0.00 C ATOM 0 H THR A 82 1.256 12.558 -1.901 1.00 0.00 H new ATOM 0 HA THR A 82 3.062 14.416 -3.188 1.00 0.00 H new ATOM 0 HB THR A 82 0.051 14.573 -2.781 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.009 13.684 -4.950 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.117 16.062 -4.747 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.083 16.708 -3.399 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.892 15.931 -4.781 1.00 0.00 H new ATOM 1205 N SER A 83 2.776 16.533 -1.773 1.00 0.00 N ATOM 1206 CA SER A 83 2.886 17.615 -0.801 1.00 0.00 C ATOM 1207 C SER A 83 3.287 18.919 -1.484 1.00 0.00 C ATOM 1208 O SER A 83 3.546 18.949 -2.687 1.00 0.00 O ATOM 1209 CB SER A 83 3.908 17.256 0.280 1.00 0.00 C ATOM 1210 OG SER A 83 5.231 17.343 -0.221 1.00 0.00 O ATOM 0 H SER A 83 3.157 16.752 -2.693 1.00 0.00 H new ATOM 0 HA SER A 83 1.910 17.754 -0.336 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.793 17.927 1.131 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.719 16.246 0.643 1.00 0.00 H new ATOM 0 HG SER A 83 5.218 17.249 -1.196 1.00 0.00 H new ATOM 1216 N SER A 84 3.336 19.996 -0.706 1.00 0.00 N ATOM 1217 CA SER A 84 3.702 21.305 -1.235 1.00 0.00 C ATOM 1218 C SER A 84 5.150 21.311 -1.716 1.00 0.00 C ATOM 1219 O SER A 84 5.498 22.017 -2.662 1.00 0.00 O ATOM 1220 CB SER A 84 3.502 22.383 -0.169 1.00 0.00 C ATOM 1221 OG SER A 84 3.614 23.680 -0.728 1.00 0.00 O ATOM 0 H SER A 84 3.127 19.988 0.292 1.00 0.00 H new ATOM 0 HA SER A 84 3.054 21.520 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.521 22.266 0.292 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.242 22.259 0.621 1.00 0.00 H new ATOM 0 HG SER A 84 3.481 24.351 -0.026 1.00 0.00 H new ATOM 1227 N SER A 85 5.989 20.519 -1.057 1.00 0.00 N ATOM 1228 CA SER A 85 7.401 20.435 -1.413 1.00 0.00 C ATOM 1229 C SER A 85 7.623 19.401 -2.512 1.00 0.00 C ATOM 1230 O SER A 85 8.758 19.036 -2.816 1.00 0.00 O ATOM 1231 CB SER A 85 8.239 20.078 -0.184 1.00 0.00 C ATOM 1232 OG SER A 85 8.166 21.099 0.797 1.00 0.00 O ATOM 0 H SER A 85 5.716 19.926 -0.273 1.00 0.00 H new ATOM 0 HA SER A 85 7.715 21.410 -1.786 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.887 19.137 0.239 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.277 19.927 -0.479 1.00 0.00 H new ATOM 0 HG SER A 85 8.708 20.846 1.573 1.00 0.00 H new ATOM 1238 N GLY A 86 6.529 18.932 -3.105 1.00 0.00 N ATOM 1239 CA GLY A 86 6.625 17.944 -4.163 1.00 0.00 C ATOM 1240 C GLY A 86 5.968 16.629 -3.791 1.00 0.00 C ATOM 1241 O GLY A 86 5.284 16.538 -2.772 1.00 0.00 O ATOM 0 H GLY A 86 5.578 19.219 -2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.158 18.337 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.675 17.768 -4.398 1.00 0.00 H new ATOM 1245 N GLU A 87 6.174 15.611 -4.620 1.00 0.00 N ATOM 1246 CA GLU A 87 5.593 14.296 -4.372 1.00 0.00 C ATOM 1247 C GLU A 87 6.597 13.190 -4.687 1.00 0.00 C ATOM 1248 O GLU A 87 7.675 13.448 -5.224 1.00 0.00 O ATOM 1249 CB GLU A 87 4.328 14.106 -5.212 1.00 0.00 C ATOM 1250 CG GLU A 87 4.607 13.852 -6.684 1.00 0.00 C ATOM 1251 CD GLU A 87 4.652 15.129 -7.499 1.00 0.00 C ATOM 1252 OE1 GLU A 87 5.726 15.764 -7.548 1.00 0.00 O ATOM 1253 OE2 GLU A 87 3.613 15.495 -8.087 1.00 0.00 O ATOM 0 H GLU A 87 6.738 15.671 -5.468 1.00 0.00 H new ATOM 0 HA GLU A 87 5.331 14.236 -3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.757 13.269 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.702 14.994 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.557 13.328 -6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.837 13.195 -7.088 1.00 0.00 H new ATOM 1260 N THR A 88 6.234 11.956 -4.350 1.00 0.00 N ATOM 1261 CA THR A 88 7.102 10.811 -4.594 1.00 0.00 C ATOM 1262 C THR A 88 6.287 9.564 -4.920 1.00 0.00 C ATOM 1263 O THR A 88 5.058 9.610 -4.970 1.00 0.00 O ATOM 1264 CB THR A 88 8.002 10.519 -3.379 1.00 0.00 C ATOM 1265 OG1 THR A 88 8.960 9.508 -3.711 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.172 10.066 -2.187 1.00 0.00 C ATOM 0 H THR A 88 5.345 11.724 -3.907 1.00 0.00 H new ATOM 0 HA THR A 88 7.729 11.066 -5.448 1.00 0.00 H new ATOM 0 HB THR A 88 8.522 11.438 -3.111 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.530 9.329 -2.934 1.00 0.00 H new ATOM 0 HG21 THR A 88 7.829 9.866 -1.341 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.463 10.849 -1.918 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.628 9.158 -2.447 1.00 0.00 H new ATOM 1274 N SER A 89 6.980 8.452 -5.141 1.00 0.00 N ATOM 1275 CA SER A 89 6.320 7.192 -5.465 1.00 0.00 C ATOM 1276 C SER A 89 7.189 6.005 -5.063 1.00 0.00 C ATOM 1277 O SER A 89 8.412 6.116 -4.980 1.00 0.00 O ATOM 1278 CB SER A 89 6.008 7.127 -6.962 1.00 0.00 C ATOM 1279 OG SER A 89 7.164 6.791 -7.710 1.00 0.00 O ATOM 0 H SER A 89 7.998 8.397 -5.102 1.00 0.00 H new ATOM 0 HA SER A 89 5.387 7.143 -4.904 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.227 6.388 -7.142 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.620 8.089 -7.298 1.00 0.00 H new ATOM 0 HG SER A 89 6.938 6.754 -8.663 1.00 0.00 H new ATOM 1285 N TRP A 90 6.548 4.868 -4.815 1.00 0.00 N ATOM 1286 CA TRP A 90 7.261 3.659 -4.421 1.00 0.00 C ATOM 1287 C TRP A 90 6.855 2.478 -5.296 1.00 0.00 C ATOM 1288 O TRP A 90 5.916 2.573 -6.085 1.00 0.00 O ATOM 1289 CB TRP A 90 6.989 3.337 -2.950 1.00 0.00 C ATOM 1290 CG TRP A 90 8.116 2.608 -2.283 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.253 1.256 -2.151 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.263 3.193 -1.655 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.416 0.965 -1.480 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.054 2.136 -1.165 1.00 0.00 C ATOM 1295 CE3 TRP A 90 9.699 4.506 -1.462 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.254 2.353 -0.493 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 10.890 4.721 -0.795 1.00 0.00 C ATOM 1298 CH2 TRP A 90 11.657 3.649 -0.318 1.00 0.00 C ATOM 0 H TRP A 90 5.536 4.759 -4.880 1.00 0.00 H new ATOM 0 HA TRP A 90 8.328 3.837 -4.555 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.797 4.265 -2.412 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.083 2.734 -2.879 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.551 0.523 -2.520 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.750 0.029 -1.253 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.116 5.338 -1.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.845 1.528 -0.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.236 5.732 -0.639 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.584 3.850 0.198 1.00 0.00 H new ATOM 1309 N SER A 91 7.568 1.366 -5.150 1.00 0.00 N ATOM 1310 CA SER A 91 7.284 0.167 -5.930 1.00 0.00 C ATOM 1311 C SER A 91 7.082 -1.039 -5.018 1.00 0.00 C ATOM 1312 O SER A 91 7.822 -1.233 -4.054 1.00 0.00 O ATOM 1313 CB SER A 91 8.421 -0.108 -6.915 1.00 0.00 C ATOM 1314 OG SER A 91 9.668 -0.184 -6.246 1.00 0.00 O ATOM 0 H SER A 91 8.347 1.270 -4.498 1.00 0.00 H new ATOM 0 HA SER A 91 6.363 0.336 -6.488 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.231 -1.042 -7.443 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.455 0.682 -7.666 1.00 0.00 H new ATOM 0 HG SER A 91 10.378 -0.362 -6.897 1.00 0.00 H new ATOM 1320 N ALA A 92 6.075 -1.848 -5.331 1.00 0.00 N ATOM 1321 CA ALA A 92 5.776 -3.037 -4.542 1.00 0.00 C ATOM 1322 C ALA A 92 4.753 -3.920 -5.247 1.00 0.00 C ATOM 1323 O ALA A 92 3.909 -3.432 -6.000 1.00 0.00 O ATOM 1324 CB ALA A 92 5.273 -2.641 -3.162 1.00 0.00 C ATOM 0 H ALA A 92 5.452 -1.702 -6.126 1.00 0.00 H new ATOM 0 HA ALA A 92 6.696 -3.610 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.054 -3.538 -2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.038 -2.057 -2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.367 -2.044 -3.263 1.00 0.00 H new ATOM 1330 N VAL A 93 4.833 -5.224 -5.000 1.00 0.00 N ATOM 1331 CA VAL A 93 3.913 -6.176 -5.611 1.00 0.00 C ATOM 1332 C VAL A 93 3.373 -7.159 -4.578 1.00 0.00 C ATOM 1333 O VAL A 93 4.133 -7.751 -3.811 1.00 0.00 O ATOM 1334 CB VAL A 93 4.594 -6.964 -6.746 1.00 0.00 C ATOM 1335 CG1 VAL A 93 3.640 -7.999 -7.324 1.00 0.00 C ATOM 1336 CG2 VAL A 93 5.087 -6.017 -7.830 1.00 0.00 C ATOM 0 H VAL A 93 5.526 -5.645 -4.381 1.00 0.00 H new ATOM 0 HA VAL A 93 3.087 -5.598 -6.024 1.00 0.00 H new ATOM 0 HB VAL A 93 5.456 -7.489 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.138 -8.546 -8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.340 -8.695 -6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.757 -7.498 -7.722 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.565 -6.590 -8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.243 -5.463 -8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.806 -5.318 -7.403 1.00 0.00 H new ATOM 1346 N LEU A 94 2.055 -7.327 -4.563 1.00 0.00 N ATOM 1347 CA LEU A 94 1.412 -8.239 -3.624 1.00 0.00 C ATOM 1348 C LEU A 94 0.977 -9.523 -4.323 1.00 0.00 C ATOM 1349 O LEU A 94 -0.099 -9.584 -4.920 1.00 0.00 O ATOM 1350 CB LEU A 94 0.202 -7.564 -2.974 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.635 -8.441 -2.042 1.00 0.00 C ATOM 1352 CD1 LEU A 94 0.149 -8.786 -0.786 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -1.939 -7.743 -1.684 1.00 0.00 C ATOM 0 H LEU A 94 1.412 -6.844 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 94 2.137 -8.495 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.553 -6.700 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.446 -7.186 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.873 -9.369 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.463 -9.410 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.055 -9.326 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.418 -7.869 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.523 -8.381 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.721 -6.800 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.508 -7.548 -2.593 1.00 0.00 H new ATOM 1365 N ASP A 95 1.818 -10.548 -4.243 1.00 0.00 N ATOM 1366 CA ASP A 95 1.519 -11.833 -4.866 1.00 0.00 C ATOM 1367 C ASP A 95 0.572 -12.651 -3.995 1.00 0.00 C ATOM 1368 O ASP A 95 0.960 -13.158 -2.942 1.00 0.00 O ATOM 1369 CB ASP A 95 2.810 -12.616 -5.113 1.00 0.00 C ATOM 1370 CG ASP A 95 3.422 -12.311 -6.466 1.00 0.00 C ATOM 1371 OD1 ASP A 95 3.904 -11.175 -6.656 1.00 0.00 O ATOM 1372 OD2 ASP A 95 3.420 -13.208 -7.334 1.00 0.00 O ATOM 0 H ASP A 95 2.712 -10.515 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 95 1.031 -11.642 -5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.530 -12.379 -4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.603 -13.684 -5.044 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.675 -12.776 -4.440 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.678 -13.533 -3.702 1.00 0.00 C ATOM 1379 C VAL A 96 -1.790 -14.959 -4.230 1.00 0.00 C ATOM 1380 O VAL A 96 -2.234 -15.183 -5.357 1.00 0.00 O ATOM 1381 CB VAL A 96 -3.061 -12.858 -3.780 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.127 -13.752 -3.168 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -3.031 -11.502 -3.092 1.00 0.00 C ATOM 0 H VAL A 96 -1.014 -12.362 -5.308 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.353 -13.559 -2.662 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.311 -12.702 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.097 -13.258 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.164 -14.697 -3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.886 -13.943 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.016 -11.039 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.759 -11.631 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.297 -10.862 -3.581 1.00 0.00 H new ATOM 1393 N THR A 97 -1.386 -15.922 -3.408 1.00 0.00 N ATOM 1394 CA THR A 97 -1.440 -17.327 -3.792 1.00 0.00 C ATOM 1395 C THR A 97 -2.538 -18.063 -3.032 1.00 0.00 C ATOM 1396 O THR A 97 -3.084 -17.546 -2.058 1.00 0.00 O ATOM 1397 CB THR A 97 -0.094 -18.031 -3.538 1.00 0.00 C ATOM 1398 OG1 THR A 97 0.151 -18.125 -2.130 1.00 0.00 O ATOM 1399 CG2 THR A 97 1.046 -17.278 -4.207 1.00 0.00 C ATOM 0 H THR A 97 -1.018 -15.755 -2.472 1.00 0.00 H new ATOM 0 HA THR A 97 -1.660 -17.355 -4.859 1.00 0.00 H new ATOM 0 HB THR A 97 -0.146 -19.032 -3.965 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.008 -18.575 -1.976 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.986 -17.794 -4.013 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.871 -17.233 -5.282 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.099 -16.266 -3.806 1.00 0.00 H new ATOM 1407 N GLU A 98 -2.855 -19.273 -3.483 1.00 0.00 N ATOM 1408 CA GLU A 98 -3.888 -20.079 -2.844 1.00 0.00 C ATOM 1409 C GLU A 98 -3.324 -20.833 -1.643 1.00 0.00 C ATOM 1410 O GLU A 98 -3.900 -20.808 -0.555 1.00 0.00 O ATOM 1411 CB GLU A 98 -4.486 -21.069 -3.846 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.292 -20.405 -4.950 1.00 0.00 C ATOM 1413 CD GLU A 98 -5.565 -21.337 -6.114 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -4.673 -21.490 -6.974 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -6.672 -21.913 -6.165 1.00 0.00 O ATOM 0 H GLU A 98 -2.411 -19.716 -4.288 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.673 -19.408 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.680 -21.650 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.126 -21.771 -3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.239 -20.053 -4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.754 -19.528 -5.310 1.00 0.00 H new ATOM 1422 N SER A 99 -2.195 -21.503 -1.849 1.00 0.00 N ATOM 1423 CA SER A 99 -1.555 -22.268 -0.785 1.00 0.00 C ATOM 1424 C SER A 99 -0.370 -21.503 -0.203 1.00 0.00 C ATOM 1425 O SER A 99 0.689 -22.076 0.049 1.00 0.00 O ATOM 1426 CB SER A 99 -1.090 -23.626 -1.314 1.00 0.00 C ATOM 1427 OG SER A 99 -2.193 -24.426 -1.705 1.00 0.00 O ATOM 0 H SER A 99 -1.704 -21.532 -2.743 1.00 0.00 H new ATOM 0 HA SER A 99 -2.287 -22.426 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.423 -23.480 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.517 -24.143 -0.544 1.00 0.00 H new ATOM 0 HG SER A 99 -1.869 -25.288 -2.041 1.00 0.00 H new ATOM 1433 N GLY A 100 -0.557 -20.204 0.007 1.00 0.00 N ATOM 1434 CA GLY A 100 0.504 -19.381 0.556 1.00 0.00 C ATOM 1435 C GLY A 100 0.567 -19.451 2.069 1.00 0.00 C ATOM 1436 O GLY A 100 1.102 -20.406 2.631 1.00 0.00 O ATOM 0 H GLY A 100 -1.425 -19.707 -0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.460 -19.700 0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.353 -18.346 0.249 1.00 0.00 H new TER 1440 GLY A 100