USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 471 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 33 SER OG : rot 30:sc= 0.227 USER MOD Set 1.2: A 34 GLN : amide:sc= 0.154 K(o=0.38,f=-0.95) USER MOD Single : A 1 TRP N :NH3+ 158:sc= 0.0296 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -164:sc= -0.265 (180deg=-0.832) USER MOD Single : A 8 THR OG1 : rot 70:sc= 0.681 USER MOD Single : A 10 LYS NZ :NH3+ 170:sc= -0.0104 (180deg=-0.134) USER MOD Single : A 11 LYS NZ :NH3+ -132:sc= 0.897 (180deg=0.00271) USER MOD Single : A 16 HIS : no HD1:sc= -0.0523 X(o=-0.052,f=0.0016) USER MOD Single : A 19 ASN : amide:sc= 0.103 X(o=0.1,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -142:sc= 0 (180deg=-0.313) USER MOD Single : A 29 SER OG : rot -26:sc= 0.53 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -68:sc= -1.41! USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00326) USER MOD Single : A 37 ASN : amide:sc= 0.692 K(o=0.69,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 53 GLN : amide:sc= -0.0526 X(o=-0.053,f=-0.082) USER MOD Single : A 54 GLN : amide:sc= -0.0572 X(o=-0.057,f=-0.4) USER MOD Single : A 55 HIS : no HD1:sc= -0.221 K(o=-0.22,f=-0.83) USER MOD Single : A 56 LYS NZ :NH3+ 142:sc= -0.162 (180deg=-0.546) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc=-0.00249 (180deg=-0.0694) USER MOD Single : A 59 MET CE :methyl 177:sc= 0 (180deg=-0.0203) USER MOD Single : A 61 LYS NZ :NH3+ 145:sc= -0.668 (180deg=-2.4!) USER MOD Single : A 64 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.35!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.452 1.682 -0.891 1.00 0.00 N ATOM 2 CA TRP A 1 2.520 1.251 -1.815 1.00 0.00 C ATOM 3 C TRP A 1 2.276 -0.202 -2.252 1.00 0.00 C ATOM 4 O TRP A 1 2.480 -1.139 -1.475 1.00 0.00 O ATOM 5 CB TRP A 1 3.929 1.413 -1.171 1.00 0.00 C ATOM 6 CG TRP A 1 4.363 2.860 -1.007 1.00 0.00 C ATOM 7 CD1 TRP A 1 4.161 3.674 0.076 1.00 0.00 C ATOM 8 CD2 TRP A 1 5.074 3.653 -1.974 1.00 0.00 C ATOM 9 NE1 TRP A 1 4.688 4.919 -0.168 1.00 0.00 N ATOM 10 CE2 TRP A 1 5.253 4.932 -1.415 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.570 3.403 -3.260 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.908 5.957 -2.095 1.00 0.00 C ATOM 13 CZ3 TRP A 1 6.221 4.419 -3.933 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.382 5.686 -3.351 1.00 0.00 C ATOM 0 H1 TRP A 1 1.790 2.482 -0.319 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.617 1.975 -1.438 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.195 0.893 -0.264 1.00 0.00 H new ATOM 0 HA TRP A 1 2.494 1.892 -2.696 1.00 0.00 H new ATOM 0 HB2 TRP A 1 3.930 0.930 -0.194 1.00 0.00 H new ATOM 0 HB3 TRP A 1 4.662 0.891 -1.786 1.00 0.00 H new ATOM 0 HD1 TRP A 1 3.661 3.380 0.987 1.00 0.00 H new ATOM 0 HE1 TRP A 1 4.662 5.708 0.477 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.446 2.433 -3.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 6.037 6.931 -1.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 6.612 4.235 -4.923 1.00 0.00 H new ATOM 0 HH2 TRP A 1 6.890 6.462 -3.904 1.00 0.00 H new ATOM 25 N THR A 2 1.781 -0.355 -3.489 1.00 0.00 N ATOM 26 CA THR A 2 1.664 -1.648 -4.190 1.00 0.00 C ATOM 27 C THR A 2 3.074 -2.206 -4.483 1.00 0.00 C ATOM 28 O THR A 2 3.982 -1.428 -4.738 1.00 0.00 O ATOM 29 CB THR A 2 0.858 -1.430 -5.515 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.457 -0.953 -5.192 1.00 0.00 O ATOM 31 CG2 THR A 2 0.739 -2.698 -6.374 1.00 0.00 C ATOM 0 H THR A 2 1.443 0.431 -4.044 1.00 0.00 H new ATOM 0 HA THR A 2 1.136 -2.372 -3.570 1.00 0.00 H new ATOM 0 HB THR A 2 1.411 -0.700 -6.106 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.966 -0.813 -6.018 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.169 -2.474 -7.276 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.735 -3.045 -6.651 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.229 -3.476 -5.806 1.00 0.00 H new ATOM 39 N GLU A 3 3.251 -3.544 -4.452 1.00 0.00 N ATOM 40 CA GLU A 3 4.578 -4.187 -4.641 1.00 0.00 C ATOM 41 C GLU A 3 5.181 -3.882 -6.039 1.00 0.00 C ATOM 42 O GLU A 3 6.400 -3.950 -6.224 1.00 0.00 O ATOM 43 CB GLU A 3 4.471 -5.716 -4.417 1.00 0.00 C ATOM 44 CG GLU A 3 3.902 -6.121 -3.046 1.00 0.00 C ATOM 45 CD GLU A 3 3.807 -7.647 -2.862 1.00 0.00 C ATOM 46 OE1 GLU A 3 2.977 -8.285 -3.551 1.00 0.00 O ATOM 47 OE2 GLU A 3 4.572 -8.223 -2.052 1.00 0.00 O ATOM 0 H GLU A 3 2.491 -4.206 -4.297 1.00 0.00 H new ATOM 0 HA GLU A 3 5.255 -3.764 -3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.841 -6.142 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.461 -6.157 -4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.531 -5.704 -2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.911 -5.684 -2.926 1.00 0.00 H new ATOM 54 N GLU A 4 4.307 -3.541 -7.004 1.00 0.00 N ATOM 55 CA GLU A 4 4.701 -3.121 -8.367 1.00 0.00 C ATOM 56 C GLU A 4 5.442 -1.764 -8.344 1.00 0.00 C ATOM 57 O GLU A 4 6.572 -1.657 -8.837 1.00 0.00 O ATOM 58 CB GLU A 4 3.439 -3.042 -9.268 1.00 0.00 C ATOM 59 CG GLU A 4 2.699 -4.384 -9.435 1.00 0.00 C ATOM 60 CD GLU A 4 1.334 -4.243 -10.135 1.00 0.00 C ATOM 61 OE1 GLU A 4 1.296 -4.186 -11.387 1.00 0.00 O ATOM 62 OE2 GLU A 4 0.295 -4.207 -9.438 1.00 0.00 O ATOM 0 H GLU A 4 3.297 -3.548 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 4 5.390 -3.861 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.750 -2.310 -8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.731 -2.676 -10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.325 -5.067 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.552 -4.835 -8.453 1.00 0.00 H new ATOM 69 N GLU A 5 4.797 -0.734 -7.753 1.00 0.00 N ATOM 70 CA GLU A 5 5.368 0.636 -7.644 1.00 0.00 C ATOM 71 C GLU A 5 6.530 0.672 -6.631 1.00 0.00 C ATOM 72 O GLU A 5 7.438 1.495 -6.733 1.00 0.00 O ATOM 73 CB GLU A 5 4.269 1.665 -7.269 1.00 0.00 C ATOM 74 CG GLU A 5 3.653 1.492 -5.866 1.00 0.00 C ATOM 75 CD GLU A 5 2.564 2.522 -5.533 1.00 0.00 C ATOM 76 OE1 GLU A 5 2.864 3.731 -5.543 1.00 0.00 O ATOM 77 OE2 GLU A 5 1.409 2.131 -5.265 1.00 0.00 O ATOM 0 H GLU A 5 3.869 -0.823 -7.338 1.00 0.00 H new ATOM 0 HA GLU A 5 5.768 0.913 -8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.693 2.667 -7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.470 1.604 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.229 0.491 -5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.445 1.562 -5.121 1.00 0.00 H new ATOM 84 N MET A 6 6.446 -0.219 -5.640 1.00 0.00 N ATOM 85 CA MET A 6 7.493 -0.469 -4.634 1.00 0.00 C ATOM 86 C MET A 6 8.753 -1.027 -5.310 1.00 0.00 C ATOM 87 O MET A 6 9.873 -0.690 -4.923 1.00 0.00 O ATOM 88 CB MET A 6 6.933 -1.474 -3.602 1.00 0.00 C ATOM 89 CG MET A 6 7.881 -1.945 -2.494 1.00 0.00 C ATOM 90 SD MET A 6 7.119 -3.224 -1.464 1.00 0.00 S ATOM 91 CE MET A 6 5.541 -2.476 -1.028 1.00 0.00 C ATOM 0 H MET A 6 5.623 -0.807 -5.507 1.00 0.00 H new ATOM 0 HA MET A 6 7.770 0.459 -4.133 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.061 -1.022 -3.130 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.583 -2.353 -4.143 1.00 0.00 H new ATOM 0 HG2 MET A 6 8.797 -2.333 -2.939 1.00 0.00 H new ATOM 0 HG3 MET A 6 8.164 -1.096 -1.871 1.00 0.00 H new ATOM 0 HE1 MET A 6 5.104 -3.013 -0.187 1.00 0.00 H new ATOM 0 HE2 MET A 6 5.697 -1.433 -0.751 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.866 -2.528 -1.882 1.00 0.00 H new ATOM 101 N GLY A 7 8.533 -1.883 -6.325 1.00 0.00 N ATOM 102 CA GLY A 7 9.611 -2.418 -7.155 1.00 0.00 C ATOM 103 C GLY A 7 10.181 -1.384 -8.111 1.00 0.00 C ATOM 104 O GLY A 7 11.370 -1.411 -8.424 1.00 0.00 O ATOM 0 H GLY A 7 7.605 -2.218 -6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.408 -2.791 -6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.237 -3.268 -7.726 1.00 0.00 H new ATOM 108 N THR A 8 9.318 -0.468 -8.572 1.00 0.00 N ATOM 109 CA THR A 8 9.719 0.659 -9.432 1.00 0.00 C ATOM 110 C THR A 8 10.550 1.683 -8.619 1.00 0.00 C ATOM 111 O THR A 8 11.457 2.321 -9.157 1.00 0.00 O ATOM 112 CB THR A 8 8.461 1.352 -10.053 1.00 0.00 C ATOM 113 OG1 THR A 8 7.605 0.358 -10.633 1.00 0.00 O ATOM 114 CG2 THR A 8 8.820 2.397 -11.131 1.00 0.00 C ATOM 0 H THR A 8 8.320 -0.486 -8.360 1.00 0.00 H new ATOM 0 HA THR A 8 10.335 0.272 -10.244 1.00 0.00 H new ATOM 0 HB THR A 8 7.956 1.879 -9.243 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.190 -0.172 -9.921 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.906 2.843 -11.524 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.443 3.175 -10.690 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.364 1.912 -11.941 1.00 0.00 H new ATOM 122 N ALA A 9 10.225 1.821 -7.312 1.00 0.00 N ATOM 123 CA ALA A 9 10.960 2.705 -6.374 1.00 0.00 C ATOM 124 C ALA A 9 12.279 2.059 -5.958 1.00 0.00 C ATOM 125 O ALA A 9 13.282 2.736 -5.772 1.00 0.00 O ATOM 126 CB ALA A 9 10.103 3.021 -5.139 1.00 0.00 C ATOM 0 H ALA A 9 9.447 1.324 -6.878 1.00 0.00 H new ATOM 0 HA ALA A 9 11.178 3.642 -6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.662 3.670 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.187 3.523 -5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.851 2.094 -4.624 1.00 0.00 H new ATOM 132 N LYS A 10 12.237 0.730 -5.819 1.00 0.00 N ATOM 133 CA LYS A 10 13.417 -0.101 -5.551 1.00 0.00 C ATOM 134 C LYS A 10 14.438 0.067 -6.690 1.00 0.00 C ATOM 135 O LYS A 10 15.607 0.327 -6.438 1.00 0.00 O ATOM 136 CB LYS A 10 12.971 -1.588 -5.380 1.00 0.00 C ATOM 137 CG LYS A 10 14.098 -2.650 -5.242 1.00 0.00 C ATOM 138 CD LYS A 10 14.572 -3.259 -6.593 1.00 0.00 C ATOM 139 CE LYS A 10 15.694 -4.294 -6.406 1.00 0.00 C ATOM 140 NZ LYS A 10 15.259 -5.439 -5.562 1.00 0.00 N ATOM 0 H LYS A 10 11.372 0.194 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 10 13.901 0.214 -4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.335 -1.652 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.354 -1.858 -6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.953 -2.193 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.746 -3.455 -4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.726 -3.730 -7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.923 -2.460 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.014 -4.663 -7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.558 -3.813 -5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.978 -6.190 -5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.140 -5.120 -4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.354 -5.808 -5.918 1.00 0.00 H new ATOM 154 N LYS A 11 13.938 -0.059 -7.935 1.00 0.00 N ATOM 155 CA LYS A 11 14.734 0.084 -9.170 1.00 0.00 C ATOM 156 C LYS A 11 15.172 1.547 -9.368 1.00 0.00 C ATOM 157 O LYS A 11 16.286 1.798 -9.827 1.00 0.00 O ATOM 158 CB LYS A 11 13.911 -0.420 -10.398 1.00 0.00 C ATOM 159 CG LYS A 11 14.521 -0.119 -11.795 1.00 0.00 C ATOM 160 CD LYS A 11 15.953 -0.677 -11.996 1.00 0.00 C ATOM 161 CE LYS A 11 16.577 -0.213 -13.325 1.00 0.00 C ATOM 162 NZ LYS A 11 17.985 -0.652 -13.466 1.00 0.00 N ATOM 0 H LYS A 11 12.955 -0.266 -8.113 1.00 0.00 H new ATOM 0 HA LYS A 11 15.633 -0.526 -9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.780 -1.498 -10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.918 0.027 -10.353 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.869 -0.538 -12.562 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.539 0.960 -11.946 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.585 -0.356 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.923 -1.766 -11.971 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.991 -0.605 -14.156 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.529 0.874 -13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.571 0.153 -13.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.330 -1.011 -12.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 18.044 -1.407 -14.179 1.00 0.00 H new ATOM 176 N GLY A 12 14.293 2.493 -9.007 1.00 0.00 N ATOM 177 CA GLY A 12 14.581 3.923 -9.149 1.00 0.00 C ATOM 178 C GLY A 12 15.762 4.355 -8.300 1.00 0.00 C ATOM 179 O GLY A 12 16.732 4.939 -8.802 1.00 0.00 O ATOM 0 H GLY A 12 13.374 2.290 -8.613 1.00 0.00 H new ATOM 0 HA2 GLY A 12 14.786 4.149 -10.196 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.701 4.500 -8.865 1.00 0.00 H new ATOM 183 N LEU A 13 15.668 4.038 -7.008 1.00 0.00 N ATOM 184 CA LEU A 13 16.742 4.257 -6.031 1.00 0.00 C ATOM 185 C LEU A 13 18.001 3.446 -6.430 1.00 0.00 C ATOM 186 O LEU A 13 19.103 3.958 -6.354 1.00 0.00 O ATOM 187 CB LEU A 13 16.212 3.894 -4.610 1.00 0.00 C ATOM 188 CG LEU A 13 15.087 4.854 -4.053 1.00 0.00 C ATOM 189 CD1 LEU A 13 14.221 4.202 -2.955 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.690 6.176 -3.540 1.00 0.00 C ATOM 0 H LEU A 13 14.833 3.616 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 13 17.042 5.305 -6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.822 2.876 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.050 3.899 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 13 14.428 5.063 -4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.468 4.913 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.729 3.317 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.854 3.915 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.893 6.817 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.397 5.966 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.206 6.681 -4.356 1.00 0.00 H new ATOM 202 N LEU A 14 17.801 2.200 -6.912 1.00 0.00 N ATOM 203 CA LEU A 14 18.898 1.306 -7.395 1.00 0.00 C ATOM 204 C LEU A 14 19.651 1.928 -8.590 1.00 0.00 C ATOM 205 O LEU A 14 20.853 1.746 -8.725 1.00 0.00 O ATOM 206 CB LEU A 14 18.312 -0.089 -7.793 1.00 0.00 C ATOM 207 CG LEU A 14 19.273 -1.140 -8.445 1.00 0.00 C ATOM 208 CD1 LEU A 14 20.442 -1.519 -7.514 1.00 0.00 C ATOM 209 CD2 LEU A 14 18.488 -2.398 -8.896 1.00 0.00 C ATOM 0 H LEU A 14 16.876 1.777 -6.981 1.00 0.00 H new ATOM 0 HA LEU A 14 19.613 1.180 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.887 -0.539 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.488 0.082 -8.485 1.00 0.00 H new ATOM 0 HG LEU A 14 19.711 -0.672 -9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 14 21.080 -2.250 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 14 21.025 -0.628 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.049 -1.947 -6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.176 -3.114 -9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.003 -2.854 -8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.732 -2.112 -9.627 1.00 0.00 H new ATOM 221 N GLU A 15 18.935 2.672 -9.439 1.00 0.00 N ATOM 222 CA GLU A 15 19.495 3.235 -10.682 1.00 0.00 C ATOM 223 C GLU A 15 20.230 4.566 -10.415 1.00 0.00 C ATOM 224 O GLU A 15 21.421 4.713 -10.718 1.00 0.00 O ATOM 225 CB GLU A 15 18.357 3.433 -11.726 1.00 0.00 C ATOM 226 CG GLU A 15 18.819 3.850 -13.137 1.00 0.00 C ATOM 227 CD GLU A 15 19.780 2.831 -13.784 1.00 0.00 C ATOM 228 OE1 GLU A 15 19.305 1.795 -14.309 1.00 0.00 O ATOM 229 OE2 GLU A 15 21.008 3.060 -13.768 1.00 0.00 O ATOM 0 H GLU A 15 17.953 2.903 -9.289 1.00 0.00 H new ATOM 0 HA GLU A 15 20.228 2.533 -11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.795 2.503 -11.806 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.669 4.190 -11.349 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.946 3.974 -13.777 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.312 4.820 -13.080 1.00 0.00 H new ATOM 236 N HIS A 16 19.504 5.518 -9.818 1.00 0.00 N ATOM 237 CA HIS A 16 19.947 6.926 -9.680 1.00 0.00 C ATOM 238 C HIS A 16 20.718 7.162 -8.374 1.00 0.00 C ATOM 239 O HIS A 16 21.590 8.036 -8.302 1.00 0.00 O ATOM 240 CB HIS A 16 18.711 7.859 -9.741 1.00 0.00 C ATOM 241 CG HIS A 16 17.895 7.708 -11.003 1.00 0.00 C ATOM 242 ND1 HIS A 16 18.230 8.323 -12.190 1.00 0.00 N ATOM 243 CD2 HIS A 16 16.773 6.985 -11.263 1.00 0.00 C ATOM 244 CE1 HIS A 16 17.359 7.990 -13.122 1.00 0.00 C ATOM 245 NE2 HIS A 16 16.467 7.177 -12.587 1.00 0.00 N ATOM 0 H HIS A 16 18.585 5.341 -9.412 1.00 0.00 H new ATOM 0 HA HIS A 16 20.627 7.148 -10.502 1.00 0.00 H new ATOM 0 HB2 HIS A 16 18.073 7.658 -8.881 1.00 0.00 H new ATOM 0 HB3 HIS A 16 19.044 8.893 -9.656 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.226 6.375 -10.560 1.00 0.00 H new ATOM 0 HE1 HIS A 16 17.373 8.325 -14.149 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.677 6.759 -13.079 1.00 0.00 H new ATOM 254 N GLY A 17 20.391 6.362 -7.357 1.00 0.00 N ATOM 255 CA GLY A 17 20.848 6.583 -5.983 1.00 0.00 C ATOM 256 C GLY A 17 19.680 6.986 -5.088 1.00 0.00 C ATOM 257 O GLY A 17 18.533 7.050 -5.559 1.00 0.00 O ATOM 0 H GLY A 17 19.799 5.538 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 17 21.312 5.675 -5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 17 21.610 7.362 -5.968 1.00 0.00 H new ATOM 261 N ARG A 18 19.950 7.280 -3.802 1.00 0.00 N ATOM 262 CA ARG A 18 18.903 7.693 -2.828 1.00 0.00 C ATOM 263 C ARG A 18 18.579 9.200 -2.961 1.00 0.00 C ATOM 264 O ARG A 18 18.662 9.965 -1.998 1.00 0.00 O ATOM 265 CB ARG A 18 19.312 7.305 -1.375 1.00 0.00 C ATOM 266 CG ARG A 18 19.611 5.801 -1.185 1.00 0.00 C ATOM 267 CD ARG A 18 19.945 5.415 0.275 1.00 0.00 C ATOM 268 NE ARG A 18 20.509 4.051 0.359 1.00 0.00 N ATOM 269 CZ ARG A 18 21.069 3.500 1.447 1.00 0.00 C ATOM 270 NH1 ARG A 18 21.021 4.094 2.632 1.00 0.00 N ATOM 271 NH2 ARG A 18 21.671 2.334 1.338 1.00 0.00 N ATOM 0 H ARG A 18 20.889 7.241 -3.405 1.00 0.00 H new ATOM 0 HA ARG A 18 17.987 7.151 -3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.195 7.879 -1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.512 7.594 -0.694 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.748 5.223 -1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 18 20.447 5.522 -1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.656 6.130 0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.043 5.475 0.884 1.00 0.00 H new ATOM 0 HE ARG A 18 20.469 3.478 -0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.550 4.993 2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 18 21.455 3.652 3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.707 1.861 0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 18 22.101 1.904 2.157 1.00 0.00 H new ATOM 285 N ASN A 19 18.186 9.594 -4.184 1.00 0.00 N ATOM 286 CA ASN A 19 17.812 10.971 -4.529 1.00 0.00 C ATOM 287 C ASN A 19 16.331 11.182 -4.177 1.00 0.00 C ATOM 288 O ASN A 19 15.451 10.808 -4.956 1.00 0.00 O ATOM 289 CB ASN A 19 18.063 11.244 -6.038 1.00 0.00 C ATOM 290 CG ASN A 19 19.530 11.107 -6.450 1.00 0.00 C ATOM 291 OD1 ASN A 19 20.286 12.077 -6.433 1.00 0.00 O ATOM 292 ND2 ASN A 19 19.944 9.898 -6.807 1.00 0.00 N ATOM 0 H ASN A 19 18.119 8.951 -4.973 1.00 0.00 H new ATOM 0 HA ASN A 19 18.425 11.671 -3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.462 10.552 -6.629 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.719 12.250 -6.279 1.00 0.00 H new ATOM 0 HD21 ASN A 19 20.916 9.751 -7.079 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.290 9.115 -6.810 1.00 0.00 H new ATOM 299 N TRP A 20 16.077 11.750 -2.985 1.00 0.00 N ATOM 300 CA TRP A 20 14.721 11.889 -2.412 1.00 0.00 C ATOM 301 C TRP A 20 13.764 12.628 -3.367 1.00 0.00 C ATOM 302 O TRP A 20 12.658 12.163 -3.620 1.00 0.00 O ATOM 303 CB TRP A 20 14.768 12.630 -1.054 1.00 0.00 C ATOM 304 CG TRP A 20 15.716 12.022 -0.042 1.00 0.00 C ATOM 305 CD1 TRP A 20 16.828 12.605 0.498 1.00 0.00 C ATOM 306 CD2 TRP A 20 15.643 10.705 0.533 1.00 0.00 C ATOM 307 NE1 TRP A 20 17.425 11.754 1.389 1.00 0.00 N ATOM 308 CE2 TRP A 20 16.724 10.581 1.426 1.00 0.00 C ATOM 309 CE3 TRP A 20 14.757 9.629 0.395 1.00 0.00 C ATOM 310 CZ2 TRP A 20 16.956 9.423 2.161 1.00 0.00 C ATOM 311 CZ3 TRP A 20 14.991 8.479 1.121 1.00 0.00 C ATOM 312 CH2 TRP A 20 16.078 8.388 2.001 1.00 0.00 C ATOM 0 H TRP A 20 16.810 12.129 -2.386 1.00 0.00 H new ATOM 0 HA TRP A 20 14.340 10.879 -2.260 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.058 13.666 -1.229 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.765 12.648 -0.629 1.00 0.00 H new ATOM 0 HD1 TRP A 20 17.185 13.595 0.256 1.00 0.00 H new ATOM 0 HE1 TRP A 20 18.259 11.962 1.938 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.907 9.698 -0.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.798 9.345 2.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.326 7.636 1.009 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.225 7.479 2.566 1.00 0.00 H new ATOM 323 N SER A 21 14.232 13.763 -3.910 1.00 0.00 N ATOM 324 CA SER A 21 13.431 14.620 -4.801 1.00 0.00 C ATOM 325 C SER A 21 13.172 13.938 -6.162 1.00 0.00 C ATOM 326 O SER A 21 12.063 14.027 -6.708 1.00 0.00 O ATOM 327 CB SER A 21 14.149 15.982 -4.996 1.00 0.00 C ATOM 328 OG SER A 21 13.378 16.892 -5.776 1.00 0.00 O ATOM 0 H SER A 21 15.176 14.113 -3.744 1.00 0.00 H new ATOM 0 HA SER A 21 12.460 14.789 -4.335 1.00 0.00 H new ATOM 0 HB2 SER A 21 14.354 16.425 -4.021 1.00 0.00 H new ATOM 0 HB3 SER A 21 15.112 15.817 -5.480 1.00 0.00 H new ATOM 0 HG SER A 21 13.867 17.736 -5.872 1.00 0.00 H new ATOM 334 N ALA A 22 14.199 13.245 -6.680 1.00 0.00 N ATOM 335 CA ALA A 22 14.180 12.684 -8.046 1.00 0.00 C ATOM 336 C ALA A 22 13.294 11.426 -8.139 1.00 0.00 C ATOM 337 O ALA A 22 12.544 11.253 -9.107 1.00 0.00 O ATOM 338 CB ALA A 22 15.609 12.365 -8.504 1.00 0.00 C ATOM 0 H ALA A 22 15.062 13.057 -6.170 1.00 0.00 H new ATOM 0 HA ALA A 22 13.749 13.436 -8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.584 11.952 -9.512 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.205 13.278 -8.500 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.055 11.638 -7.825 1.00 0.00 H new ATOM 344 N ILE A 23 13.386 10.556 -7.120 1.00 0.00 N ATOM 345 CA ILE A 23 12.658 9.267 -7.093 1.00 0.00 C ATOM 346 C ILE A 23 11.205 9.479 -6.664 1.00 0.00 C ATOM 347 O ILE A 23 10.305 8.781 -7.121 1.00 0.00 O ATOM 348 CB ILE A 23 13.369 8.211 -6.167 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.873 8.059 -6.584 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.637 6.836 -6.199 1.00 0.00 C ATOM 351 CD1 ILE A 23 15.091 7.723 -8.047 1.00 0.00 C ATOM 0 H ILE A 23 13.962 10.720 -6.294 1.00 0.00 H new ATOM 0 HA ILE A 23 12.666 8.864 -8.106 1.00 0.00 H new ATOM 0 HB ILE A 23 13.325 8.573 -5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.395 8.988 -6.356 1.00 0.00 H new ATOM 0 HG13 ILE A 23 15.329 7.279 -5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.156 6.132 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.611 6.962 -5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.631 6.451 -7.219 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.159 7.637 -8.245 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.601 6.777 -8.280 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.669 8.513 -8.668 1.00 0.00 H new ATOM 363 N ALA A 24 10.978 10.478 -5.814 1.00 0.00 N ATOM 364 CA ALA A 24 9.621 10.887 -5.423 1.00 0.00 C ATOM 365 C ALA A 24 8.903 11.604 -6.584 1.00 0.00 C ATOM 366 O ALA A 24 7.676 11.717 -6.591 1.00 0.00 O ATOM 367 CB ALA A 24 9.682 11.761 -4.186 1.00 0.00 C ATOM 0 H ALA A 24 11.719 11.026 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 24 9.040 9.996 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.673 12.060 -3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.139 11.203 -3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.278 12.649 -4.397 1.00 0.00 H new ATOM 373 N ARG A 25 9.696 12.137 -7.530 1.00 0.00 N ATOM 374 CA ARG A 25 9.197 12.660 -8.818 1.00 0.00 C ATOM 375 C ARG A 25 8.987 11.510 -9.834 1.00 0.00 C ATOM 376 O ARG A 25 8.128 11.609 -10.716 1.00 0.00 O ATOM 377 CB ARG A 25 10.184 13.738 -9.363 1.00 0.00 C ATOM 378 CG ARG A 25 9.892 14.254 -10.794 1.00 0.00 C ATOM 379 CD ARG A 25 10.648 15.551 -11.124 1.00 0.00 C ATOM 380 NE ARG A 25 10.177 16.663 -10.279 1.00 0.00 N ATOM 381 CZ ARG A 25 10.947 17.607 -9.711 1.00 0.00 C ATOM 382 NH1 ARG A 25 12.260 17.629 -9.901 1.00 0.00 N ATOM 383 NH2 ARG A 25 10.385 18.531 -8.954 1.00 0.00 N ATOM 0 H ARG A 25 10.707 12.218 -7.424 1.00 0.00 H new ATOM 0 HA ARG A 25 8.226 13.131 -8.663 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.177 14.589 -8.681 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.192 13.324 -9.345 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.166 13.485 -11.516 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.821 14.425 -10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.717 15.402 -10.973 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.506 15.802 -12.175 1.00 0.00 H new ATOM 0 HE ARG A 25 9.173 16.722 -10.109 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.702 16.921 -10.487 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.827 18.354 -9.461 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.376 18.524 -8.805 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.960 19.252 -8.518 1.00 0.00 H new ATOM 397 N MET A 26 9.768 10.420 -9.699 1.00 0.00 N ATOM 398 CA MET A 26 9.687 9.263 -10.616 1.00 0.00 C ATOM 399 C MET A 26 8.456 8.389 -10.308 1.00 0.00 C ATOM 400 O MET A 26 7.524 8.309 -11.108 1.00 0.00 O ATOM 401 CB MET A 26 10.994 8.420 -10.484 1.00 0.00 C ATOM 402 CG MET A 26 11.034 7.112 -11.288 1.00 0.00 C ATOM 403 SD MET A 26 12.537 6.157 -10.967 1.00 0.00 S ATOM 404 CE MET A 26 12.144 4.588 -11.746 1.00 0.00 C ATOM 0 H MET A 26 10.465 10.316 -8.961 1.00 0.00 H new ATOM 0 HA MET A 26 9.582 9.630 -11.637 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.836 9.040 -10.794 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.144 8.181 -9.431 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.162 6.508 -11.039 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.971 7.340 -12.352 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.540 3.772 -11.141 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.062 4.485 -11.831 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.591 4.553 -12.739 1.00 0.00 H new ATOM 414 N VAL A 27 8.453 7.767 -9.117 1.00 0.00 N ATOM 415 CA VAL A 27 7.420 6.800 -8.713 1.00 0.00 C ATOM 416 C VAL A 27 6.235 7.491 -8.032 1.00 0.00 C ATOM 417 O VAL A 27 5.072 7.134 -8.272 1.00 0.00 O ATOM 418 CB VAL A 27 8.028 5.666 -7.807 1.00 0.00 C ATOM 419 CG1 VAL A 27 9.184 4.977 -8.561 1.00 0.00 C ATOM 420 CG2 VAL A 27 8.511 6.180 -6.426 1.00 0.00 C ATOM 0 H VAL A 27 9.168 7.921 -8.406 1.00 0.00 H new ATOM 0 HA VAL A 27 7.038 6.329 -9.619 1.00 0.00 H new ATOM 0 HB VAL A 27 7.231 4.951 -7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.608 4.191 -7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.807 4.542 -9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.955 5.711 -8.794 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.919 5.349 -5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.283 6.936 -6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.671 6.617 -5.886 1.00 0.00 H new ATOM 430 N GLY A 28 6.552 8.473 -7.167 1.00 0.00 N ATOM 431 CA GLY A 28 5.545 9.250 -6.460 1.00 0.00 C ATOM 432 C GLY A 28 4.851 10.242 -7.377 1.00 0.00 C ATOM 433 O GLY A 28 3.661 10.540 -7.195 1.00 0.00 O ATOM 0 H GLY A 28 7.511 8.741 -6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.805 8.577 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.013 9.785 -5.634 1.00 0.00 H new ATOM 437 N SER A 29 5.645 10.789 -8.335 1.00 0.00 N ATOM 438 CA SER A 29 5.171 11.665 -9.426 1.00 0.00 C ATOM 439 C SER A 29 4.679 13.049 -8.921 1.00 0.00 C ATOM 440 O SER A 29 4.237 13.883 -9.724 1.00 0.00 O ATOM 441 CB SER A 29 4.090 10.920 -10.265 1.00 0.00 C ATOM 442 OG SER A 29 3.646 11.673 -11.386 1.00 0.00 O ATOM 0 H SER A 29 6.652 10.627 -8.366 1.00 0.00 H new ATOM 0 HA SER A 29 6.020 11.887 -10.073 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.496 9.969 -10.610 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.237 10.690 -9.627 1.00 0.00 H new ATOM 0 HG SER A 29 3.763 12.629 -11.205 1.00 0.00 H new ATOM 448 N LYS A 30 4.797 13.324 -7.597 1.00 0.00 N ATOM 449 CA LYS A 30 4.208 14.533 -6.976 1.00 0.00 C ATOM 450 C LYS A 30 5.282 15.391 -6.271 1.00 0.00 C ATOM 451 O LYS A 30 5.737 16.391 -6.830 1.00 0.00 O ATOM 452 CB LYS A 30 3.037 14.151 -6.003 1.00 0.00 C ATOM 453 CG LYS A 30 1.857 13.378 -6.665 1.00 0.00 C ATOM 454 CD LYS A 30 1.277 14.088 -7.920 1.00 0.00 C ATOM 455 CE LYS A 30 0.589 15.432 -7.612 1.00 0.00 C ATOM 456 NZ LYS A 30 -0.697 15.249 -6.885 1.00 0.00 N ATOM 0 H LYS A 30 5.295 12.723 -6.941 1.00 0.00 H new ATOM 0 HA LYS A 30 3.787 15.145 -7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.441 13.543 -5.193 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.647 15.064 -5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.198 12.382 -6.946 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.062 13.247 -5.931 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.082 14.258 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.559 13.425 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.257 16.052 -7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.405 15.967 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.126 16.178 -6.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.345 14.679 -7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.520 14.762 -5.983 1.00 0.00 H new ATOM 470 N THR A 31 5.693 15.005 -5.052 1.00 0.00 N ATOM 471 CA THR A 31 6.598 15.824 -4.208 1.00 0.00 C ATOM 472 C THR A 31 7.660 14.924 -3.532 1.00 0.00 C ATOM 473 O THR A 31 7.498 13.708 -3.523 1.00 0.00 O ATOM 474 CB THR A 31 5.749 16.614 -3.137 1.00 0.00 C ATOM 475 OG1 THR A 31 4.645 17.266 -3.793 1.00 0.00 O ATOM 476 CG2 THR A 31 6.567 17.689 -2.393 1.00 0.00 C ATOM 0 H THR A 31 5.413 14.124 -4.620 1.00 0.00 H new ATOM 0 HA THR A 31 7.125 16.546 -4.832 1.00 0.00 H new ATOM 0 HB THR A 31 5.409 15.883 -2.403 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.114 17.756 -3.131 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.928 18.197 -1.671 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.400 17.217 -1.872 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.952 18.414 -3.110 1.00 0.00 H new ATOM 484 N VAL A 32 8.725 15.543 -2.975 1.00 0.00 N ATOM 485 CA VAL A 32 9.852 14.856 -2.275 1.00 0.00 C ATOM 486 C VAL A 32 9.363 13.865 -1.181 1.00 0.00 C ATOM 487 O VAL A 32 9.992 12.817 -0.944 1.00 0.00 O ATOM 488 CB VAL A 32 10.822 15.913 -1.611 1.00 0.00 C ATOM 489 CG1 VAL A 32 12.077 15.238 -0.994 1.00 0.00 C ATOM 490 CG2 VAL A 32 11.227 17.025 -2.616 1.00 0.00 C ATOM 0 H VAL A 32 8.834 16.557 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 32 10.382 14.284 -3.037 1.00 0.00 H new ATOM 0 HB VAL A 32 10.269 16.383 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.717 15.999 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.768 14.528 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.628 14.712 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.894 17.734 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.738 16.577 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.334 17.546 -2.961 1.00 0.00 H new ATOM 500 N SER A 33 8.220 14.207 -0.565 1.00 0.00 N ATOM 501 CA SER A 33 7.615 13.476 0.566 1.00 0.00 C ATOM 502 C SER A 33 7.386 11.970 0.285 1.00 0.00 C ATOM 503 O SER A 33 7.512 11.154 1.193 1.00 0.00 O ATOM 504 CB SER A 33 6.281 14.168 0.948 1.00 0.00 C ATOM 505 OG SER A 33 5.463 14.365 -0.200 1.00 0.00 O ATOM 0 H SER A 33 7.674 15.022 -0.846 1.00 0.00 H new ATOM 0 HA SER A 33 8.322 13.512 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.748 13.560 1.679 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.487 15.128 1.421 1.00 0.00 H new ATOM 0 HG SER A 33 5.639 13.656 -0.853 1.00 0.00 H new ATOM 511 N GLN A 34 7.066 11.617 -0.972 1.00 0.00 N ATOM 512 CA GLN A 34 6.725 10.224 -1.363 1.00 0.00 C ATOM 513 C GLN A 34 7.876 9.226 -1.077 1.00 0.00 C ATOM 514 O GLN A 34 7.659 8.199 -0.420 1.00 0.00 O ATOM 515 CB GLN A 34 6.267 10.166 -2.852 1.00 0.00 C ATOM 516 CG GLN A 34 4.765 10.503 -3.084 1.00 0.00 C ATOM 517 CD GLN A 34 4.329 11.923 -2.686 1.00 0.00 C ATOM 518 OE1 GLN A 34 5.099 12.869 -2.750 1.00 0.00 O ATOM 519 NE2 GLN A 34 3.081 12.076 -2.271 1.00 0.00 N ATOM 0 H GLN A 34 7.034 12.280 -1.747 1.00 0.00 H new ATOM 0 HA GLN A 34 5.890 9.909 -0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.875 10.860 -3.432 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.465 9.167 -3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.538 10.356 -4.140 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.161 9.788 -2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.456 11.271 -2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.744 12.999 -1.996 1.00 0.00 H new ATOM 528 N CYS A 35 9.095 9.558 -1.535 1.00 0.00 N ATOM 529 CA CYS A 35 10.285 8.689 -1.343 1.00 0.00 C ATOM 530 C CYS A 35 10.750 8.720 0.126 1.00 0.00 C ATOM 531 O CYS A 35 11.313 7.742 0.632 1.00 0.00 O ATOM 532 CB CYS A 35 11.439 9.111 -2.282 1.00 0.00 C ATOM 533 SG CYS A 35 12.919 8.079 -2.157 1.00 0.00 S ATOM 0 H CYS A 35 9.290 10.421 -2.042 1.00 0.00 H new ATOM 0 HA CYS A 35 9.998 7.668 -1.595 1.00 0.00 H new ATOM 0 HB2 CYS A 35 11.081 9.088 -3.311 1.00 0.00 H new ATOM 0 HB3 CYS A 35 11.711 10.143 -2.062 1.00 0.00 H new ATOM 0 HG CYS A 35 13.479 8.263 -0.998 1.00 0.00 H new ATOM 539 N LYS A 36 10.492 9.856 0.801 1.00 0.00 N ATOM 540 CA LYS A 36 10.823 10.048 2.222 1.00 0.00 C ATOM 541 C LYS A 36 10.012 9.097 3.124 1.00 0.00 C ATOM 542 O LYS A 36 10.585 8.347 3.917 1.00 0.00 O ATOM 543 CB LYS A 36 10.573 11.527 2.625 1.00 0.00 C ATOM 544 CG LYS A 36 11.622 12.531 2.098 1.00 0.00 C ATOM 545 CD LYS A 36 13.020 12.296 2.709 1.00 0.00 C ATOM 546 CE LYS A 36 13.028 12.377 4.248 1.00 0.00 C ATOM 547 NZ LYS A 36 12.623 13.722 4.744 1.00 0.00 N ATOM 0 H LYS A 36 10.047 10.668 0.373 1.00 0.00 H new ATOM 0 HA LYS A 36 11.878 9.811 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.590 11.826 2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.544 11.592 3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.685 12.451 1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.295 13.546 2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.385 11.316 2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.714 13.035 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.352 11.624 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.026 12.141 4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.660 13.734 5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.272 14.441 4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.654 13.931 4.429 1.00 0.00 H new ATOM 561 N ASN A 37 8.677 9.122 2.978 1.00 0.00 N ATOM 562 CA ASN A 37 7.775 8.302 3.807 1.00 0.00 C ATOM 563 C ASN A 37 7.877 6.813 3.440 1.00 0.00 C ATOM 564 O ASN A 37 7.581 5.966 4.270 1.00 0.00 O ATOM 565 CB ASN A 37 6.300 8.773 3.710 1.00 0.00 C ATOM 566 CG ASN A 37 6.039 10.120 4.383 1.00 0.00 C ATOM 567 OD1 ASN A 37 5.832 10.186 5.594 1.00 0.00 O ATOM 568 ND2 ASN A 37 6.011 11.191 3.609 1.00 0.00 N ATOM 0 H ASN A 37 8.196 9.703 2.291 1.00 0.00 H new ATOM 0 HA ASN A 37 8.101 8.432 4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.018 8.841 2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.657 8.019 4.164 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.813 12.107 4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.187 11.102 2.608 1.00 0.00 H new ATOM 575 N PHE A 38 8.292 6.510 2.197 1.00 0.00 N ATOM 576 CA PHE A 38 8.558 5.123 1.762 1.00 0.00 C ATOM 577 C PHE A 38 9.733 4.514 2.568 1.00 0.00 C ATOM 578 O PHE A 38 9.724 3.333 2.912 1.00 0.00 O ATOM 579 CB PHE A 38 8.880 5.099 0.243 1.00 0.00 C ATOM 580 CG PHE A 38 9.123 3.706 -0.352 1.00 0.00 C ATOM 581 CD1 PHE A 38 8.135 2.722 -0.297 1.00 0.00 C ATOM 582 CD2 PHE A 38 10.335 3.381 -0.974 1.00 0.00 C ATOM 583 CE1 PHE A 38 8.344 1.469 -0.844 1.00 0.00 C ATOM 584 CE2 PHE A 38 10.542 2.125 -1.518 1.00 0.00 C ATOM 585 CZ PHE A 38 9.547 1.171 -1.452 1.00 0.00 C ATOM 0 H PHE A 38 8.452 7.209 1.472 1.00 0.00 H new ATOM 0 HA PHE A 38 7.668 4.522 1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 38 8.055 5.567 -0.294 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.764 5.711 0.066 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.192 2.943 0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 38 11.120 4.121 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.565 0.723 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.483 1.892 -1.994 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.710 0.191 -1.876 1.00 0.00 H new ATOM 595 N TYR A 39 10.747 5.352 2.839 1.00 0.00 N ATOM 596 CA TYR A 39 11.990 4.938 3.515 1.00 0.00 C ATOM 597 C TYR A 39 11.810 4.843 5.053 1.00 0.00 C ATOM 598 O TYR A 39 12.170 3.835 5.673 1.00 0.00 O ATOM 599 CB TYR A 39 13.104 5.946 3.145 1.00 0.00 C ATOM 600 CG TYR A 39 14.541 5.458 3.379 1.00 0.00 C ATOM 601 CD1 TYR A 39 15.233 4.772 2.376 1.00 0.00 C ATOM 602 CD2 TYR A 39 15.220 5.715 4.575 1.00 0.00 C ATOM 603 CE1 TYR A 39 16.540 4.360 2.562 1.00 0.00 C ATOM 604 CE2 TYR A 39 16.525 5.297 4.763 1.00 0.00 C ATOM 605 CZ TYR A 39 17.182 4.626 3.753 1.00 0.00 C ATOM 606 OH TYR A 39 18.489 4.226 3.934 1.00 0.00 O ATOM 0 H TYR A 39 10.728 6.342 2.594 1.00 0.00 H new ATOM 0 HA TYR A 39 12.264 3.938 3.178 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.996 6.211 2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.950 6.858 3.721 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.738 4.560 1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.716 6.250 5.366 1.00 0.00 H new ATOM 0 HE1 TYR A 39 17.057 3.831 1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.028 5.495 5.698 1.00 0.00 H new ATOM 0 HH TYR A 39 18.792 4.492 4.827 1.00 0.00 H new ATOM 616 N PHE A 40 11.246 5.911 5.653 1.00 0.00 N ATOM 617 CA PHE A 40 11.200 6.096 7.127 1.00 0.00 C ATOM 618 C PHE A 40 9.862 5.606 7.733 1.00 0.00 C ATOM 619 O PHE A 40 9.844 4.706 8.587 1.00 0.00 O ATOM 620 CB PHE A 40 11.421 7.599 7.482 1.00 0.00 C ATOM 621 CG PHE A 40 12.814 8.145 7.155 1.00 0.00 C ATOM 622 CD1 PHE A 40 13.117 8.640 5.885 1.00 0.00 C ATOM 623 CD2 PHE A 40 13.821 8.172 8.123 1.00 0.00 C ATOM 624 CE1 PHE A 40 14.373 9.139 5.592 1.00 0.00 C ATOM 625 CE2 PHE A 40 15.078 8.672 7.829 1.00 0.00 C ATOM 626 CZ PHE A 40 15.353 9.156 6.563 1.00 0.00 C ATOM 0 H PHE A 40 10.808 6.672 5.134 1.00 0.00 H new ATOM 0 HA PHE A 40 11.999 5.492 7.558 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.680 8.195 6.950 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.235 7.736 8.547 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.357 8.633 5.118 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.616 7.797 9.115 1.00 0.00 H new ATOM 0 HE1 PHE A 40 14.587 9.516 4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 40 15.845 8.684 8.589 1.00 0.00 H new ATOM 0 HZ PHE A 40 16.334 9.547 6.335 1.00 0.00 H new ATOM 770 N LEU A 48 16.007 -1.580 1.184 1.00 0.00 N ATOM 771 CA LEU A 48 16.599 -0.610 0.244 1.00 0.00 C ATOM 772 C LEU A 48 18.102 -0.364 0.516 1.00 0.00 C ATOM 773 O LEU A 48 18.870 -0.089 -0.422 1.00 0.00 O ATOM 774 CB LEU A 48 15.769 0.711 0.302 1.00 0.00 C ATOM 775 CG LEU A 48 15.872 1.697 -0.912 1.00 0.00 C ATOM 776 CD1 LEU A 48 17.092 2.643 -0.821 1.00 0.00 C ATOM 777 CD2 LEU A 48 15.843 0.927 -2.255 1.00 0.00 C ATOM 0 HA LEU A 48 16.553 -1.022 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.720 0.441 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.067 1.254 1.199 1.00 0.00 H new ATOM 0 HG LEU A 48 14.993 2.340 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.108 3.301 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.021 3.242 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.008 2.053 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.916 1.634 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.683 0.234 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.909 0.370 -2.335 1.00 0.00 H new ATOM 789 N ASP A 49 18.511 -0.495 1.793 1.00 0.00 N ATOM 790 CA ASP A 49 19.895 -0.191 2.219 1.00 0.00 C ATOM 791 C ASP A 49 20.922 -1.125 1.548 1.00 0.00 C ATOM 792 O ASP A 49 21.935 -0.652 1.004 1.00 0.00 O ATOM 793 CB ASP A 49 20.033 -0.255 3.763 1.00 0.00 C ATOM 794 CG ASP A 49 21.463 0.074 4.259 1.00 0.00 C ATOM 795 OD1 ASP A 49 21.920 1.225 4.066 1.00 0.00 O ATOM 796 OD2 ASP A 49 22.139 -0.811 4.842 1.00 0.00 O ATOM 0 H ASP A 49 17.903 -0.809 2.550 1.00 0.00 H new ATOM 0 HA ASP A 49 20.110 0.827 1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.329 0.444 4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 49 19.756 -1.252 4.106 1.00 0.00 H new ATOM 801 N GLU A 50 20.643 -2.444 1.572 1.00 0.00 N ATOM 802 CA GLU A 50 21.538 -3.465 0.977 1.00 0.00 C ATOM 803 C GLU A 50 21.555 -3.358 -0.558 1.00 0.00 C ATOM 804 O GLU A 50 22.587 -3.571 -1.176 1.00 0.00 O ATOM 805 CB GLU A 50 21.151 -4.905 1.442 1.00 0.00 C ATOM 806 CG GLU A 50 19.738 -5.366 1.035 1.00 0.00 C ATOM 807 CD GLU A 50 19.333 -6.727 1.634 1.00 0.00 C ATOM 808 OE1 GLU A 50 18.795 -6.758 2.762 1.00 0.00 O ATOM 809 OE2 GLU A 50 19.557 -7.773 0.985 1.00 0.00 O ATOM 0 H GLU A 50 19.801 -2.831 1.999 1.00 0.00 H new ATOM 0 HA GLU A 50 22.548 -3.268 1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 50 21.877 -5.609 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 50 21.234 -4.954 2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.016 -4.612 1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.685 -5.427 -0.052 1.00 0.00 H new ATOM 816 N ILE A 51 20.405 -2.979 -1.147 1.00 0.00 N ATOM 817 CA ILE A 51 20.235 -2.824 -2.611 1.00 0.00 C ATOM 818 C ILE A 51 21.180 -1.736 -3.163 1.00 0.00 C ATOM 819 O ILE A 51 21.860 -1.929 -4.177 1.00 0.00 O ATOM 820 CB ILE A 51 18.736 -2.470 -2.933 1.00 0.00 C ATOM 821 CG1 ILE A 51 17.802 -3.621 -2.443 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.499 -2.161 -4.433 1.00 0.00 C ATOM 823 CD1 ILE A 51 16.316 -3.344 -2.569 1.00 0.00 C ATOM 0 H ILE A 51 19.558 -2.769 -0.619 1.00 0.00 H new ATOM 0 HA ILE A 51 20.492 -3.765 -3.096 1.00 0.00 H new ATOM 0 HB ILE A 51 18.494 -1.554 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.036 -4.523 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.029 -3.832 -1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.447 -1.924 -4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.112 -1.310 -4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 51 18.770 -3.031 -5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.753 -4.203 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.059 -2.464 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.066 -3.166 -3.615 1.00 0.00 H new ATOM 835 N LEU A 52 21.223 -0.604 -2.455 1.00 0.00 N ATOM 836 CA LEU A 52 22.077 0.542 -2.824 1.00 0.00 C ATOM 837 C LEU A 52 23.536 0.314 -2.431 1.00 0.00 C ATOM 838 O LEU A 52 24.436 0.903 -3.034 1.00 0.00 O ATOM 839 CB LEU A 52 21.517 1.855 -2.206 1.00 0.00 C ATOM 840 CG LEU A 52 20.577 2.670 -3.129 1.00 0.00 C ATOM 841 CD1 LEU A 52 21.351 3.196 -4.350 1.00 0.00 C ATOM 842 CD2 LEU A 52 19.348 1.842 -3.545 1.00 0.00 C ATOM 0 H LEU A 52 20.671 -0.450 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 52 22.058 0.640 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 52 20.977 1.606 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.356 2.489 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 52 20.206 3.530 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.678 3.767 -4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.165 3.839 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 52 21.759 2.356 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 52 18.708 2.441 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 52 19.674 0.951 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 52 18.791 1.546 -2.656 1.00 0.00 H new ATOM 854 N GLN A 53 23.757 -0.535 -1.415 1.00 0.00 N ATOM 855 CA GLN A 53 25.108 -0.935 -0.993 1.00 0.00 C ATOM 856 C GLN A 53 25.774 -1.741 -2.127 1.00 0.00 C ATOM 857 O GLN A 53 26.959 -1.548 -2.430 1.00 0.00 O ATOM 858 CB GLN A 53 25.047 -1.764 0.318 1.00 0.00 C ATOM 859 CG GLN A 53 26.412 -2.050 0.964 1.00 0.00 C ATOM 860 CD GLN A 53 27.143 -0.779 1.415 1.00 0.00 C ATOM 861 OE1 GLN A 53 27.913 -0.183 0.662 1.00 0.00 O ATOM 862 NE2 GLN A 53 26.880 -0.339 2.637 1.00 0.00 N ATOM 0 H GLN A 53 23.010 -0.961 -0.867 1.00 0.00 H new ATOM 0 HA GLN A 53 25.705 -0.045 -0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 53 24.424 -1.233 1.038 1.00 0.00 H new ATOM 0 HB3 GLN A 53 24.554 -2.713 0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 53 26.270 -2.705 1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.038 -2.589 0.253 1.00 0.00 H new ATOM 0 HE21 GLN A 53 26.237 -0.855 3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.320 0.516 2.977 1.00 0.00 H new ATOM 871 N GLN A 54 24.964 -2.613 -2.774 1.00 0.00 N ATOM 872 CA GLN A 54 25.402 -3.400 -3.940 1.00 0.00 C ATOM 873 C GLN A 54 25.693 -2.469 -5.129 1.00 0.00 C ATOM 874 O GLN A 54 26.780 -2.516 -5.679 1.00 0.00 O ATOM 875 CB GLN A 54 24.356 -4.476 -4.349 1.00 0.00 C ATOM 876 CG GLN A 54 23.956 -5.455 -3.223 1.00 0.00 C ATOM 877 CD GLN A 54 25.136 -6.115 -2.495 1.00 0.00 C ATOM 878 OE1 GLN A 54 26.186 -6.386 -3.081 1.00 0.00 O ATOM 879 NE2 GLN A 54 24.970 -6.371 -1.203 1.00 0.00 N ATOM 0 H GLN A 54 23.997 -2.786 -2.501 1.00 0.00 H new ATOM 0 HA GLN A 54 26.314 -3.923 -3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 54 23.459 -3.972 -4.708 1.00 0.00 H new ATOM 0 HB3 GLN A 54 24.755 -5.050 -5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 54 23.351 -4.919 -2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.326 -6.237 -3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.089 -6.135 -0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.723 -6.803 -0.668 1.00 0.00 H new ATOM 888 N HIS A 55 24.719 -1.593 -5.471 1.00 0.00 N ATOM 889 CA HIS A 55 24.839 -0.628 -6.604 1.00 0.00 C ATOM 890 C HIS A 55 26.118 0.219 -6.488 1.00 0.00 C ATOM 891 O HIS A 55 26.794 0.489 -7.494 1.00 0.00 O ATOM 892 CB HIS A 55 23.604 0.309 -6.669 1.00 0.00 C ATOM 893 CG HIS A 55 23.687 1.356 -7.763 1.00 0.00 C ATOM 894 ND1 HIS A 55 23.569 1.048 -9.105 1.00 0.00 N ATOM 895 CD2 HIS A 55 23.930 2.696 -7.715 1.00 0.00 C ATOM 896 CE1 HIS A 55 23.736 2.137 -9.831 1.00 0.00 C ATOM 897 NE2 HIS A 55 23.952 3.147 -9.014 1.00 0.00 N ATOM 0 H HIS A 55 23.830 -1.530 -4.976 1.00 0.00 H new ATOM 0 HA HIS A 55 24.891 -1.216 -7.520 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.710 -0.294 -6.824 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.489 0.810 -5.708 1.00 0.00 H new ATOM 0 HD2 HIS A 55 24.077 3.291 -6.826 1.00 0.00 H new ATOM 0 HE1 HIS A 55 23.702 2.191 -10.909 1.00 0.00 H new ATOM 0 HE2 HIS A 55 24.111 4.113 -9.300 1.00 0.00 H new ATOM 906 N LYS A 56 26.420 0.626 -5.244 1.00 0.00 N ATOM 907 CA LYS A 56 27.594 1.443 -4.933 1.00 0.00 C ATOM 908 C LYS A 56 28.884 0.707 -5.325 1.00 0.00 C ATOM 909 O LYS A 56 29.628 1.175 -6.195 1.00 0.00 O ATOM 910 CB LYS A 56 27.610 1.840 -3.431 1.00 0.00 C ATOM 911 CG LYS A 56 28.883 2.604 -3.010 1.00 0.00 C ATOM 912 CD LYS A 56 28.825 3.192 -1.587 1.00 0.00 C ATOM 913 CE LYS A 56 30.143 3.898 -1.207 1.00 0.00 C ATOM 914 NZ LYS A 56 30.614 4.833 -2.271 1.00 0.00 N ATOM 0 H LYS A 56 25.853 0.395 -4.428 1.00 0.00 H new ATOM 0 HA LYS A 56 27.538 2.361 -5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 56 26.738 2.458 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 56 27.519 0.939 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 56 29.737 1.930 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 56 29.059 3.413 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 56 28.000 3.901 -1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 56 28.620 2.395 -0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 56 30.002 4.450 -0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 56 30.912 3.149 -1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 31.023 5.682 -1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 31.336 4.362 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 29.811 5.108 -2.872 1.00 0.00 H new ATOM 928 N LEU A 57 29.094 -0.483 -4.728 1.00 0.00 N ATOM 929 CA LEU A 57 30.330 -1.261 -4.923 1.00 0.00 C ATOM 930 C LEU A 57 30.446 -1.777 -6.375 1.00 0.00 C ATOM 931 O LEU A 57 31.555 -1.902 -6.883 1.00 0.00 O ATOM 932 CB LEU A 57 30.442 -2.408 -3.859 1.00 0.00 C ATOM 933 CG LEU A 57 29.325 -3.522 -3.829 1.00 0.00 C ATOM 934 CD1 LEU A 57 29.568 -4.651 -4.860 1.00 0.00 C ATOM 935 CD2 LEU A 57 29.149 -4.113 -2.404 1.00 0.00 C ATOM 0 H LEU A 57 28.419 -0.926 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 57 31.182 -0.600 -4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 57 31.401 -2.905 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 57 30.473 -1.943 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 57 28.399 -3.024 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 57 28.766 -5.386 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 57 29.587 -4.229 -5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 57 30.523 -5.134 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 57 28.372 -4.877 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 57 30.088 -4.558 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 57 28.863 -3.319 -1.714 1.00 0.00 H new ATOM 947 N LYS A 58 29.288 -2.033 -7.036 1.00 0.00 N ATOM 948 CA LYS A 58 29.235 -2.559 -8.426 1.00 0.00 C ATOM 949 C LYS A 58 29.821 -1.547 -9.427 1.00 0.00 C ATOM 950 O LYS A 58 30.792 -1.856 -10.120 1.00 0.00 O ATOM 951 CB LYS A 58 27.778 -2.926 -8.854 1.00 0.00 C ATOM 952 CG LYS A 58 27.201 -4.214 -8.219 1.00 0.00 C ATOM 953 CD LYS A 58 25.717 -4.436 -8.602 1.00 0.00 C ATOM 954 CE LYS A 58 25.125 -5.732 -8.016 1.00 0.00 C ATOM 955 NZ LYS A 58 25.851 -6.947 -8.477 1.00 0.00 N ATOM 0 H LYS A 58 28.368 -1.882 -6.623 1.00 0.00 H new ATOM 0 HA LYS A 58 29.839 -3.467 -8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 58 27.123 -2.092 -8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 58 27.753 -3.034 -9.938 1.00 0.00 H new ATOM 0 HG2 LYS A 58 27.791 -5.072 -8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 58 27.290 -4.155 -7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.128 -3.587 -8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 58 25.629 -4.463 -9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 58 25.158 -5.684 -6.928 1.00 0.00 H new ATOM 0 HE3 LYS A 58 24.076 -5.810 -8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 25.337 -7.797 -8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 25.916 -6.940 -9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 26.808 -6.955 -8.071 1.00 0.00 H new ATOM 969 N MET A 59 29.231 -0.336 -9.474 1.00 0.00 N ATOM 970 CA MET A 59 29.614 0.698 -10.461 1.00 0.00 C ATOM 971 C MET A 59 31.063 1.172 -10.241 1.00 0.00 C ATOM 972 O MET A 59 31.812 1.351 -11.204 1.00 0.00 O ATOM 973 CB MET A 59 28.621 1.892 -10.439 1.00 0.00 C ATOM 974 CG MET A 59 28.983 3.052 -11.391 1.00 0.00 C ATOM 975 SD MET A 59 29.315 2.527 -13.094 1.00 0.00 S ATOM 976 CE MET A 59 27.791 1.701 -13.561 1.00 0.00 C ATOM 0 H MET A 59 28.486 -0.048 -8.840 1.00 0.00 H new ATOM 0 HA MET A 59 29.563 0.244 -11.451 1.00 0.00 H new ATOM 0 HB2 MET A 59 27.628 1.525 -10.697 1.00 0.00 H new ATOM 0 HB3 MET A 59 28.563 2.280 -9.422 1.00 0.00 H new ATOM 0 HG2 MET A 59 28.166 3.773 -11.396 1.00 0.00 H new ATOM 0 HG3 MET A 59 29.861 3.568 -11.002 1.00 0.00 H new ATOM 0 HE1 MET A 59 27.854 1.383 -14.602 1.00 0.00 H new ATOM 0 HE2 MET A 59 27.639 0.830 -12.924 1.00 0.00 H new ATOM 0 HE3 MET A 59 26.953 2.388 -13.441 1.00 0.00 H new ATOM 986 N GLU A 60 31.460 1.318 -8.965 1.00 0.00 N ATOM 987 CA GLU A 60 32.813 1.781 -8.606 1.00 0.00 C ATOM 988 C GLU A 60 33.890 0.748 -8.995 1.00 0.00 C ATOM 989 O GLU A 60 34.960 1.138 -9.463 1.00 0.00 O ATOM 990 CB GLU A 60 32.886 2.127 -7.094 1.00 0.00 C ATOM 991 CG GLU A 60 31.995 3.318 -6.693 1.00 0.00 C ATOM 992 CD GLU A 60 32.061 3.674 -5.193 1.00 0.00 C ATOM 993 OE1 GLU A 60 31.887 2.774 -4.348 1.00 0.00 O ATOM 994 OE2 GLU A 60 32.239 4.865 -4.852 1.00 0.00 O ATOM 0 H GLU A 60 30.862 1.122 -8.163 1.00 0.00 H new ATOM 0 HA GLU A 60 33.018 2.688 -9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.592 1.252 -6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 60 33.919 2.351 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 60 32.289 4.191 -7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 60 30.962 3.091 -6.957 1.00 0.00 H new ATOM 1001 N LYS A 61 33.591 -0.569 -8.848 1.00 0.00 N ATOM 1002 CA LYS A 61 34.584 -1.633 -9.135 1.00 0.00 C ATOM 1003 C LYS A 61 34.745 -1.849 -10.647 1.00 0.00 C ATOM 1004 O LYS A 61 35.872 -1.996 -11.132 1.00 0.00 O ATOM 1005 CB LYS A 61 34.244 -2.973 -8.407 1.00 0.00 C ATOM 1006 CG LYS A 61 33.012 -3.756 -8.932 1.00 0.00 C ATOM 1007 CD LYS A 61 32.641 -5.010 -8.079 1.00 0.00 C ATOM 1008 CE LYS A 61 33.568 -6.227 -8.301 1.00 0.00 C ATOM 1009 NZ LYS A 61 34.966 -5.999 -7.858 1.00 0.00 N ATOM 0 H LYS A 61 32.683 -0.914 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 61 35.539 -1.290 -8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 61 35.115 -3.626 -8.471 1.00 0.00 H new ATOM 0 HB3 LYS A 61 34.085 -2.756 -7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 61 32.154 -3.084 -8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 61 33.206 -4.072 -9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.665 -4.737 -7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.616 -5.302 -8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 61 33.162 -7.085 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 61 33.569 -6.484 -9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 35.357 -6.883 -7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 35.541 -5.690 -8.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 34.981 -5.264 -7.122 1.00 0.00 H new ATOM 1023 N GLU A 62 33.615 -1.846 -11.390 1.00 0.00 N ATOM 1024 CA GLU A 62 33.625 -2.101 -12.845 1.00 0.00 C ATOM 1025 C GLU A 62 34.261 -0.919 -13.590 1.00 0.00 C ATOM 1026 O GLU A 62 34.955 -1.115 -14.583 1.00 0.00 O ATOM 1027 CB GLU A 62 32.198 -2.417 -13.383 1.00 0.00 C ATOM 1028 CG GLU A 62 31.160 -1.282 -13.246 1.00 0.00 C ATOM 1029 CD GLU A 62 29.741 -1.695 -13.676 1.00 0.00 C ATOM 1030 OE1 GLU A 62 28.996 -2.266 -12.845 1.00 0.00 O ATOM 1031 OE2 GLU A 62 29.368 -1.468 -14.851 1.00 0.00 O ATOM 0 H GLU A 62 32.687 -1.670 -11.005 1.00 0.00 H new ATOM 0 HA GLU A 62 34.234 -2.986 -13.030 1.00 0.00 H new ATOM 0 HB2 GLU A 62 32.279 -2.684 -14.437 1.00 0.00 H new ATOM 0 HB3 GLU A 62 31.819 -3.295 -12.860 1.00 0.00 H new ATOM 0 HG2 GLU A 62 31.134 -0.947 -12.209 1.00 0.00 H new ATOM 0 HG3 GLU A 62 31.481 -0.432 -13.848 1.00 0.00 H new ATOM 1038 N ARG A 63 34.041 0.306 -13.066 1.00 0.00 N ATOM 1039 CA ARG A 63 34.684 1.530 -13.570 1.00 0.00 C ATOM 1040 C ARG A 63 36.201 1.461 -13.337 1.00 0.00 C ATOM 1041 O ARG A 63 36.984 1.570 -14.279 1.00 0.00 O ATOM 1042 CB ARG A 63 34.043 2.795 -12.913 1.00 0.00 C ATOM 1043 CG ARG A 63 34.735 4.157 -13.226 1.00 0.00 C ATOM 1044 CD ARG A 63 35.677 4.637 -12.098 1.00 0.00 C ATOM 1045 NE ARG A 63 36.394 5.873 -12.461 1.00 0.00 N ATOM 1046 CZ ARG A 63 36.031 7.122 -12.105 1.00 0.00 C ATOM 1047 NH1 ARG A 63 34.897 7.349 -11.434 1.00 0.00 N ATOM 1048 NH2 ARG A 63 36.813 8.144 -12.432 1.00 0.00 N ATOM 0 H ARG A 63 33.411 0.470 -12.281 1.00 0.00 H new ATOM 0 HA ARG A 63 34.519 1.609 -14.645 1.00 0.00 H new ATOM 0 HB2 ARG A 63 33.003 2.857 -13.233 1.00 0.00 H new ATOM 0 HB3 ARG A 63 34.037 2.654 -11.832 1.00 0.00 H new ATOM 0 HG2 ARG A 63 35.305 4.063 -14.151 1.00 0.00 H new ATOM 0 HG3 ARG A 63 33.970 4.914 -13.398 1.00 0.00 H new ATOM 0 HD2 ARG A 63 35.097 4.808 -11.191 1.00 0.00 H new ATOM 0 HD3 ARG A 63 36.399 3.853 -11.872 1.00 0.00 H new ATOM 0 HE ARG A 63 37.235 5.775 -13.029 1.00 0.00 H new ATOM 0 HH11 ARG A 63 34.289 6.570 -11.182 1.00 0.00 H new ATOM 0 HH12 ARG A 63 34.640 8.301 -11.174 1.00 0.00 H new ATOM 0 HH21 ARG A 63 37.678 7.980 -12.947 1.00 0.00 H new ATOM 0 HH22 ARG A 63 36.549 9.093 -12.168 1.00 0.00 H new ATOM 1062 N ASN A 64 36.583 1.208 -12.072 1.00 0.00 N ATOM 1063 CA ASN A 64 37.999 1.121 -11.621 1.00 0.00 C ATOM 1064 C ASN A 64 38.788 0.072 -12.455 1.00 0.00 C ATOM 1065 O ASN A 64 39.987 0.232 -12.714 1.00 0.00 O ATOM 1066 CB ASN A 64 37.997 0.769 -10.101 1.00 0.00 C ATOM 1067 CG ASN A 64 39.345 0.873 -9.367 1.00 0.00 C ATOM 1068 OD1 ASN A 64 40.413 0.666 -9.934 1.00 0.00 O ATOM 1069 ND2 ASN A 64 39.293 1.175 -8.072 1.00 0.00 N ATOM 0 H ASN A 64 35.913 1.055 -11.318 1.00 0.00 H new ATOM 0 HA ASN A 64 38.504 2.075 -11.774 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.285 1.425 -9.600 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.625 -0.249 -9.988 1.00 0.00 H new ATOM 0 HD21 ASN A 64 40.154 1.239 -7.528 1.00 0.00 H new ATOM 0 HD22 ASN A 64 38.393 1.343 -7.623 1.00 0.00 H new