USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 661 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 0.318 (180deg=-0.149!) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 168:sc= -1.37 (180deg=-2.07!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= -0.685 (180deg=-1.18) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0.015 (180deg=0.00804) USER MOD Single : A 43 SER OG : rot 71:sc= 0.897 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 120:sc= -0.914 USER MOD Single : A 57 TYR OH : rot -93:sc= 1.14 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.205 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.93 K(o=-1.9,f=-6.4!) USER MOD Single : A 77 GLN : amide:sc= -0.0315 K(o=-0.031,f=-0.82) USER MOD Single : A 79 TYR OH : rot 39:sc= -0.434 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1! C(o=-1!,f=-6.3!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 0.430 4.951 -13.787 1.00 0.00 N ATOM 67 CA GLN A 8 0.915 3.592 -13.999 1.00 0.00 C ATOM 68 C GLN A 8 0.801 2.767 -12.722 1.00 0.00 C ATOM 69 O GLN A 8 0.627 3.313 -11.631 1.00 0.00 O ATOM 70 CB GLN A 8 2.369 3.616 -14.476 1.00 0.00 C ATOM 71 CG GLN A 8 3.353 4.062 -13.407 1.00 0.00 C ATOM 72 CD GLN A 8 4.797 3.890 -13.835 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.490 4.866 -14.125 1.00 0.00 O ATOM 74 NE2 GLN A 8 5.259 2.646 -13.877 1.00 0.00 N ATOM 0 HA GLN A 8 0.295 3.128 -14.766 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.646 2.620 -14.820 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.450 4.283 -15.334 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.172 5.109 -13.166 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.178 3.490 -12.496 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.649 1.867 -13.628 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.223 2.469 -14.158 1.00 0.00 H new ATOM 83 N LEU A 9 0.899 1.450 -12.863 1.00 0.00 N ATOM 84 CA LEU A 9 0.806 0.549 -11.720 1.00 0.00 C ATOM 85 C LEU A 9 2.178 0.318 -11.096 1.00 0.00 C ATOM 86 O LEU A 9 3.159 0.071 -11.799 1.00 0.00 O ATOM 87 CB LEU A 9 0.196 -0.787 -12.147 1.00 0.00 C ATOM 88 CG LEU A 9 -1.329 -0.882 -12.075 1.00 0.00 C ATOM 89 CD1 LEU A 9 -1.950 -0.507 -13.411 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.757 -2.283 -11.660 1.00 0.00 C ATOM 0 H LEU A 9 1.043 0.982 -13.758 1.00 0.00 H new ATOM 0 HA LEU A 9 0.161 1.014 -10.974 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.505 -0.994 -13.172 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.619 -1.573 -11.522 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.683 -0.178 -11.322 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.035 -0.580 -13.341 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.671 0.515 -13.668 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.589 -1.186 -14.183 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.845 -2.332 -11.614 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.391 -3.006 -12.389 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.341 -2.515 -10.679 1.00 0.00 H new ATOM 102 N LEU A 10 2.241 0.397 -9.771 1.00 0.00 N ATOM 103 CA LEU A 10 3.493 0.194 -9.051 1.00 0.00 C ATOM 104 C LEU A 10 3.526 -1.181 -8.392 1.00 0.00 C ATOM 105 O LEU A 10 2.511 -1.667 -7.892 1.00 0.00 O ATOM 106 CB LEU A 10 3.678 1.283 -7.993 1.00 0.00 C ATOM 107 CG LEU A 10 3.055 2.642 -8.313 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.597 3.712 -7.377 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.315 3.020 -9.764 1.00 0.00 C ATOM 0 H LEU A 10 1.439 0.600 -9.174 1.00 0.00 H new ATOM 0 HA LEU A 10 4.310 0.252 -9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.256 0.925 -7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.746 1.425 -7.829 1.00 0.00 H new ATOM 0 HG LEU A 10 1.978 2.570 -8.164 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.142 4.672 -7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.359 3.448 -6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.678 3.783 -7.493 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.864 3.990 -9.974 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.390 3.074 -9.939 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.878 2.267 -10.420 1.00 0.00 H new ATOM 121 N THR A 11 4.701 -1.805 -8.393 1.00 0.00 N ATOM 122 CA THR A 11 4.866 -3.123 -7.795 1.00 0.00 C ATOM 123 C THR A 11 5.409 -3.019 -6.374 1.00 0.00 C ATOM 124 O THR A 11 6.610 -2.839 -6.169 1.00 0.00 O ATOM 125 CB THR A 11 5.814 -4.004 -8.631 1.00 0.00 C ATOM 126 OG1 THR A 11 5.430 -3.966 -10.010 1.00 0.00 O ATOM 127 CG2 THR A 11 5.797 -5.442 -8.133 1.00 0.00 C ATOM 0 H THR A 11 5.552 -1.418 -8.802 1.00 0.00 H new ATOM 0 HA THR A 11 3.879 -3.584 -7.771 1.00 0.00 H new ATOM 0 HB THR A 11 6.826 -3.612 -8.526 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.039 -4.527 -10.535 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.474 -6.045 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.119 -5.470 -7.092 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.786 -5.842 -8.211 1.00 0.00 H new ATOM 135 N LEU A 12 4.518 -3.132 -5.396 1.00 0.00 N ATOM 136 CA LEU A 12 4.908 -3.051 -3.992 1.00 0.00 C ATOM 137 C LEU A 12 4.615 -4.362 -3.269 1.00 0.00 C ATOM 138 O LEU A 12 3.909 -5.226 -3.789 1.00 0.00 O ATOM 139 CB LEU A 12 4.172 -1.900 -3.304 1.00 0.00 C ATOM 140 CG LEU A 12 4.022 -0.616 -4.120 1.00 0.00 C ATOM 141 CD1 LEU A 12 2.892 0.239 -3.567 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.328 0.165 -4.131 1.00 0.00 C ATOM 0 H LEU A 12 3.520 -3.280 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 12 5.981 -2.866 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.177 -2.247 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.698 -1.660 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 12 3.776 -0.887 -5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.800 1.149 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.957 -0.320 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.108 0.502 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.202 1.076 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.605 0.426 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.114 -0.446 -4.575 1.00 0.00 H new ATOM 154 N LYS A 13 5.161 -4.502 -2.066 1.00 0.00 N ATOM 155 CA LYS A 13 4.956 -5.705 -1.268 1.00 0.00 C ATOM 156 C LYS A 13 4.213 -5.382 0.024 1.00 0.00 C ATOM 157 O LYS A 13 4.624 -4.504 0.784 1.00 0.00 O ATOM 158 CB LYS A 13 6.300 -6.363 -0.946 1.00 0.00 C ATOM 159 CG LYS A 13 7.240 -6.440 -2.135 1.00 0.00 C ATOM 160 CD LYS A 13 6.945 -7.652 -3.003 1.00 0.00 C ATOM 161 CE LYS A 13 7.736 -8.869 -2.548 1.00 0.00 C ATOM 162 NZ LYS A 13 7.014 -10.139 -2.833 1.00 0.00 N ATOM 0 H LYS A 13 5.749 -3.797 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 13 4.349 -6.398 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.786 -5.805 -0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.121 -7.370 -0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.148 -5.533 -2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.270 -6.486 -1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.879 -7.876 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.189 -7.426 -4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.704 -8.881 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.932 -8.795 -1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.586 -10.944 -2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.101 -10.139 -2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.849 -10.222 -3.856 1.00 0.00 H new ATOM 176 N ILE A 14 3.119 -6.096 0.267 1.00 0.00 N ATOM 177 CA ILE A 14 2.322 -5.885 1.469 1.00 0.00 C ATOM 178 C ILE A 14 2.740 -6.841 2.581 1.00 0.00 C ATOM 179 O ILE A 14 2.583 -8.056 2.462 1.00 0.00 O ATOM 180 CB ILE A 14 0.819 -6.070 1.187 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.284 -4.897 0.363 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.048 -6.204 2.492 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.509 -5.051 -1.125 1.00 0.00 C ATOM 0 H ILE A 14 2.765 -6.825 -0.352 1.00 0.00 H new ATOM 0 HA ILE A 14 2.500 -4.859 1.790 1.00 0.00 H new ATOM 0 HB ILE A 14 0.682 -6.985 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.784 -4.789 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.762 -3.978 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.013 -6.334 2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.415 -7.069 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.189 -5.305 3.092 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.105 -4.183 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.578 -5.129 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.007 -5.952 -1.478 1.00 0.00 H new ATOM 195 N LYS A 15 3.273 -6.284 3.663 1.00 0.00 N ATOM 196 CA LYS A 15 3.712 -7.085 4.800 1.00 0.00 C ATOM 197 C LYS A 15 3.136 -6.542 6.103 1.00 0.00 C ATOM 198 O LYS A 15 3.214 -5.344 6.376 1.00 0.00 O ATOM 199 CB LYS A 15 5.240 -7.106 4.875 1.00 0.00 C ATOM 200 CG LYS A 15 5.778 -7.735 6.149 1.00 0.00 C ATOM 201 CD LYS A 15 5.968 -6.699 7.244 1.00 0.00 C ATOM 202 CE LYS A 15 6.746 -7.269 8.421 1.00 0.00 C ATOM 203 NZ LYS A 15 5.944 -8.263 9.187 1.00 0.00 N ATOM 0 H LYS A 15 3.412 -5.280 3.777 1.00 0.00 H new ATOM 0 HA LYS A 15 3.347 -8.102 4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.630 -7.653 4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.613 -6.085 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.090 -8.508 6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.729 -8.225 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.496 -5.835 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.995 -6.347 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.659 -7.741 8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.048 -6.458 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.574 -8.820 9.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.243 -7.766 9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.454 -8.898 8.525 1.00 0.00 H new ATOM 217 N CYS A 16 2.559 -7.430 6.905 1.00 0.00 N ATOM 218 CA CYS A 16 1.970 -7.040 8.181 1.00 0.00 C ATOM 219 C CYS A 16 3.041 -6.922 9.261 1.00 0.00 C ATOM 220 O CYS A 16 3.536 -7.927 9.771 1.00 0.00 O ATOM 221 CB CYS A 16 0.908 -8.054 8.608 1.00 0.00 C ATOM 222 SG CYS A 16 -0.563 -8.069 7.557 1.00 0.00 S ATOM 0 H CYS A 16 2.486 -8.425 6.694 1.00 0.00 H new ATOM 0 HA CYS A 16 1.500 -6.065 8.053 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.351 -9.050 8.608 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.607 -7.839 9.633 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.401 -8.960 7.997 1.00 0.00 H new ATOM 340 N ILE A 24 4.746 -12.450 3.084 1.00 0.00 N ATOM 341 CA ILE A 24 4.554 -11.229 2.311 1.00 0.00 C ATOM 342 C ILE A 24 4.059 -11.542 0.903 1.00 0.00 C ATOM 343 O ILE A 24 4.455 -12.541 0.302 1.00 0.00 O ATOM 344 CB ILE A 24 5.856 -10.412 2.216 1.00 0.00 C ATOM 345 CG1 ILE A 24 6.437 -10.172 3.611 1.00 0.00 C ATOM 346 CG2 ILE A 24 5.600 -9.090 1.508 1.00 0.00 C ATOM 347 CD1 ILE A 24 7.696 -9.334 3.605 1.00 0.00 C ATOM 0 HA ILE A 24 3.802 -10.639 2.835 1.00 0.00 H new ATOM 0 HB ILE A 24 6.582 -10.979 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.686 -9.680 4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.653 -11.134 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.529 -8.523 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.227 -9.282 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.860 -8.516 2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.052 -9.205 4.627 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.463 -9.834 3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.481 -8.358 3.169 1.00 0.00 H new ATOM 359 N LEU A 25 3.191 -10.682 0.382 1.00 0.00 N ATOM 360 CA LEU A 25 2.643 -10.865 -0.957 1.00 0.00 C ATOM 361 C LEU A 25 2.999 -9.686 -1.857 1.00 0.00 C ATOM 362 O LEU A 25 3.614 -8.717 -1.412 1.00 0.00 O ATOM 363 CB LEU A 25 1.123 -11.029 -0.889 1.00 0.00 C ATOM 364 CG LEU A 25 0.573 -11.655 0.392 1.00 0.00 C ATOM 365 CD1 LEU A 25 1.208 -13.015 0.637 1.00 0.00 C ATOM 366 CD2 LEU A 25 0.807 -10.734 1.580 1.00 0.00 C ATOM 0 H LEU A 25 2.852 -9.851 0.867 1.00 0.00 H new ATOM 0 HA LEU A 25 3.081 -11.768 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.666 -10.048 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.805 -11.640 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.501 -11.794 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.804 -13.445 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.988 -13.676 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.287 -12.900 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.409 -11.197 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.876 -10.562 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.304 -9.783 1.407 1.00 0.00 H new ATOM 378 N GLU A 26 2.604 -9.774 -3.123 1.00 0.00 N ATOM 379 CA GLU A 26 2.881 -8.714 -4.085 1.00 0.00 C ATOM 380 C GLU A 26 1.605 -8.283 -4.802 1.00 0.00 C ATOM 381 O GLU A 26 0.895 -9.107 -5.380 1.00 0.00 O ATOM 382 CB GLU A 26 3.921 -9.179 -5.106 1.00 0.00 C ATOM 383 CG GLU A 26 4.666 -8.039 -5.780 1.00 0.00 C ATOM 384 CD GLU A 26 5.602 -8.518 -6.872 1.00 0.00 C ATOM 385 OE1 GLU A 26 5.106 -9.011 -7.906 1.00 0.00 O ATOM 386 OE2 GLU A 26 6.833 -8.399 -6.692 1.00 0.00 O ATOM 0 H GLU A 26 2.091 -10.568 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 26 3.277 -7.858 -3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.641 -9.828 -4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.425 -9.779 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.945 -7.340 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.238 -7.491 -5.031 1.00 0.00 H new ATOM 393 N LYS A 27 1.319 -6.986 -4.761 1.00 0.00 N ATOM 394 CA LYS A 27 0.129 -6.444 -5.407 1.00 0.00 C ATOM 395 C LYS A 27 0.486 -5.256 -6.295 1.00 0.00 C ATOM 396 O LYS A 27 1.374 -4.469 -5.966 1.00 0.00 O ATOM 397 CB LYS A 27 -0.897 -6.017 -4.355 1.00 0.00 C ATOM 398 CG LYS A 27 -2.314 -5.918 -4.893 1.00 0.00 C ATOM 399 CD LYS A 27 -2.908 -7.292 -5.157 1.00 0.00 C ATOM 400 CE LYS A 27 -4.346 -7.194 -5.642 1.00 0.00 C ATOM 401 NZ LYS A 27 -4.881 -8.518 -6.063 1.00 0.00 N ATOM 0 H LYS A 27 1.895 -6.290 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.303 -7.226 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.879 -6.731 -3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.604 -5.050 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.939 -5.382 -4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.314 -5.337 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.306 -7.813 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.870 -7.887 -4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.970 -6.786 -4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.400 -6.498 -6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.863 -8.409 -6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.301 -8.896 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.853 -9.176 -5.258 1.00 0.00 H new ATOM 415 N GLN A 28 -0.212 -5.133 -7.419 1.00 0.00 N ATOM 416 CA GLN A 28 0.032 -4.040 -8.353 1.00 0.00 C ATOM 417 C GLN A 28 -1.169 -3.102 -8.418 1.00 0.00 C ATOM 418 O GLN A 28 -2.273 -3.514 -8.774 1.00 0.00 O ATOM 419 CB GLN A 28 0.340 -4.591 -9.746 1.00 0.00 C ATOM 420 CG GLN A 28 1.704 -5.253 -9.851 1.00 0.00 C ATOM 421 CD GLN A 28 1.840 -6.119 -11.088 1.00 0.00 C ATOM 422 OE1 GLN A 28 1.285 -7.217 -11.154 1.00 0.00 O ATOM 423 NE2 GLN A 28 2.579 -5.629 -12.076 1.00 0.00 N ATOM 0 H GLN A 28 -0.950 -5.776 -7.705 1.00 0.00 H new ATOM 0 HA GLN A 28 0.893 -3.475 -7.995 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.428 -5.315 -10.019 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.283 -3.778 -10.470 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.477 -4.484 -9.864 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.876 -5.863 -8.964 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.020 -4.715 -11.978 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.706 -6.167 -12.933 1.00 0.00 H new ATOM 432 N LEU A 29 -0.945 -1.839 -8.072 1.00 0.00 N ATOM 433 CA LEU A 29 -2.009 -0.841 -8.091 1.00 0.00 C ATOM 434 C LEU A 29 -1.523 0.462 -8.718 1.00 0.00 C ATOM 435 O LEU A 29 -0.353 0.831 -8.613 1.00 0.00 O ATOM 436 CB LEU A 29 -2.515 -0.579 -6.672 1.00 0.00 C ATOM 437 CG LEU A 29 -2.771 -1.817 -5.811 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.779 -2.735 -6.484 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.469 -2.557 -5.542 1.00 0.00 C ATOM 0 H LEU A 29 -0.037 -1.482 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.828 -1.231 -8.696 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.788 0.051 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.442 -0.009 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.186 -1.494 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.949 -3.610 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.719 -2.202 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.393 -3.052 -7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.670 -3.435 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.026 -2.869 -6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.778 -1.898 -5.017 1.00 0.00 H new ATOM 451 N PRO A 30 -2.441 1.177 -9.385 1.00 0.00 N ATOM 452 CA PRO A 30 -2.129 2.451 -10.040 1.00 0.00 C ATOM 453 C PRO A 30 -1.848 3.565 -9.036 1.00 0.00 C ATOM 454 O PRO A 30 -2.672 3.855 -8.169 1.00 0.00 O ATOM 455 CB PRO A 30 -3.398 2.759 -10.838 1.00 0.00 C ATOM 456 CG PRO A 30 -4.485 2.040 -10.116 1.00 0.00 C ATOM 457 CD PRO A 30 -3.854 0.797 -9.551 1.00 0.00 C ATOM 0 HA PRO A 30 -1.229 2.386 -10.652 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.591 3.831 -10.877 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.311 2.413 -11.868 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.904 2.660 -9.323 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.303 1.790 -10.791 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.308 0.512 -8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.965 -0.052 -10.225 1.00 0.00 H new ATOM 465 N ASP A 31 -0.680 4.185 -9.160 1.00 0.00 N ATOM 466 CA ASP A 31 -0.290 5.268 -8.265 1.00 0.00 C ATOM 467 C ASP A 31 -1.450 6.235 -8.046 1.00 0.00 C ATOM 468 O ASP A 31 -1.491 6.954 -7.048 1.00 0.00 O ATOM 469 CB ASP A 31 0.915 6.019 -8.833 1.00 0.00 C ATOM 470 CG ASP A 31 0.645 6.593 -10.209 1.00 0.00 C ATOM 471 OD1 ASP A 31 -0.203 6.029 -10.932 1.00 0.00 O ATOM 472 OD2 ASP A 31 1.280 7.608 -10.564 1.00 0.00 O ATOM 0 H ASP A 31 0.014 3.956 -9.872 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.016 4.832 -7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.189 6.826 -8.154 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.768 5.343 -8.886 1.00 0.00 H new ATOM 477 N SER A 32 -2.389 6.248 -8.986 1.00 0.00 N ATOM 478 CA SER A 32 -3.547 7.130 -8.898 1.00 0.00 C ATOM 479 C SER A 32 -4.452 6.725 -7.738 1.00 0.00 C ATOM 480 O SER A 32 -4.958 7.575 -7.006 1.00 0.00 O ATOM 481 CB SER A 32 -4.336 7.103 -10.208 1.00 0.00 C ATOM 482 OG SER A 32 -5.462 7.961 -10.144 1.00 0.00 O ATOM 0 H SER A 32 -2.371 5.658 -9.818 1.00 0.00 H new ATOM 0 HA SER A 32 -3.188 8.143 -8.719 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.690 7.407 -11.031 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.663 6.085 -10.418 1.00 0.00 H new ATOM 0 HG SER A 32 -5.948 7.927 -10.994 1.00 0.00 H new ATOM 488 N MET A 33 -4.649 5.421 -7.577 1.00 0.00 N ATOM 489 CA MET A 33 -5.491 4.902 -6.505 1.00 0.00 C ATOM 490 C MET A 33 -5.162 5.579 -5.179 1.00 0.00 C ATOM 491 O MET A 33 -4.049 5.455 -4.666 1.00 0.00 O ATOM 492 CB MET A 33 -5.315 3.388 -6.376 1.00 0.00 C ATOM 493 CG MET A 33 -6.551 2.675 -5.853 1.00 0.00 C ATOM 494 SD MET A 33 -6.682 0.980 -6.455 1.00 0.00 S ATOM 495 CE MET A 33 -5.908 0.083 -5.112 1.00 0.00 C ATOM 0 H MET A 33 -4.237 4.704 -8.175 1.00 0.00 H new ATOM 0 HA MET A 33 -6.529 5.119 -6.755 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.053 2.977 -7.351 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.478 3.183 -5.709 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.528 2.669 -4.763 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.440 3.232 -6.150 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.098 -0.984 -5.230 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.833 0.263 -5.126 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.321 0.423 -4.162 1.00 0.00 H new ATOM 505 N THR A 34 -6.136 6.297 -4.627 1.00 0.00 N ATOM 506 CA THR A 34 -5.948 6.994 -3.361 1.00 0.00 C ATOM 507 C THR A 34 -5.661 6.014 -2.230 1.00 0.00 C ATOM 508 O THR A 34 -6.170 4.893 -2.222 1.00 0.00 O ATOM 509 CB THR A 34 -7.186 7.835 -2.995 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.369 7.036 -3.100 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.304 9.049 -3.904 1.00 0.00 C ATOM 0 H THR A 34 -7.063 6.411 -5.037 1.00 0.00 H new ATOM 0 HA THR A 34 -5.092 7.656 -3.489 1.00 0.00 H new ATOM 0 HB THR A 34 -7.072 8.181 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.151 7.577 -2.864 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.185 9.627 -3.626 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.415 9.670 -3.799 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.397 8.721 -4.939 1.00 0.00 H new ATOM 519 N VAL A 35 -4.841 6.442 -1.275 1.00 0.00 N ATOM 520 CA VAL A 35 -4.488 5.602 -0.138 1.00 0.00 C ATOM 521 C VAL A 35 -5.730 4.993 0.503 1.00 0.00 C ATOM 522 O VAL A 35 -5.693 3.870 1.005 1.00 0.00 O ATOM 523 CB VAL A 35 -3.711 6.398 0.928 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.507 5.557 2.179 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.378 6.874 0.371 1.00 0.00 C ATOM 0 H VAL A 35 -4.409 7.366 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.852 4.804 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.298 7.275 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.956 6.136 2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.476 5.272 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.942 4.660 1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.843 7.434 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.782 6.013 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.553 7.516 -0.492 1.00 0.00 H new ATOM 535 N GLN A 36 -6.828 5.742 0.481 1.00 0.00 N ATOM 536 CA GLN A 36 -8.082 5.275 1.061 1.00 0.00 C ATOM 537 C GLN A 36 -8.566 4.009 0.363 1.00 0.00 C ATOM 538 O GLN A 36 -8.931 3.029 1.014 1.00 0.00 O ATOM 539 CB GLN A 36 -9.150 6.366 0.963 1.00 0.00 C ATOM 540 CG GLN A 36 -10.565 5.852 1.174 1.00 0.00 C ATOM 541 CD GLN A 36 -11.509 6.929 1.671 1.00 0.00 C ATOM 542 OE1 GLN A 36 -11.985 7.759 0.896 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.786 6.921 2.970 1.00 0.00 N ATOM 0 H GLN A 36 -6.875 6.674 0.068 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.904 5.043 2.111 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.938 7.138 1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.086 6.838 -0.017 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.944 5.447 0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.546 5.031 1.891 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.369 6.214 3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.416 7.621 3.362 1.00 0.00 H new ATOM 552 N LYS A 37 -8.567 4.035 -0.965 1.00 0.00 N ATOM 553 CA LYS A 37 -9.005 2.889 -1.753 1.00 0.00 C ATOM 554 C LYS A 37 -8.166 1.656 -1.434 1.00 0.00 C ATOM 555 O LYS A 37 -8.700 0.574 -1.192 1.00 0.00 O ATOM 556 CB LYS A 37 -8.916 3.207 -3.247 1.00 0.00 C ATOM 557 CG LYS A 37 -10.050 4.083 -3.751 1.00 0.00 C ATOM 558 CD LYS A 37 -10.297 3.876 -5.236 1.00 0.00 C ATOM 559 CE LYS A 37 -9.408 4.778 -6.080 1.00 0.00 C ATOM 560 NZ LYS A 37 -9.199 4.228 -7.448 1.00 0.00 N ATOM 0 H LYS A 37 -8.269 4.838 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.042 2.677 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.967 3.704 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.912 2.273 -3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.960 3.857 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.813 5.130 -3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.110 2.834 -5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.344 4.079 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.859 5.768 -6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.444 4.902 -5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.333 4.633 -7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.106 3.193 -7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.012 4.472 -8.048 1.00 0.00 H new ATOM 574 N VAL A 38 -6.847 1.827 -1.434 1.00 0.00 N ATOM 575 CA VAL A 38 -5.934 0.729 -1.143 1.00 0.00 C ATOM 576 C VAL A 38 -6.227 0.119 0.223 1.00 0.00 C ATOM 577 O VAL A 38 -6.148 -1.097 0.402 1.00 0.00 O ATOM 578 CB VAL A 38 -4.466 1.195 -1.180 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.533 0.049 -0.819 1.00 0.00 C ATOM 580 CG2 VAL A 38 -4.123 1.763 -2.549 1.00 0.00 C ATOM 0 H VAL A 38 -6.388 2.716 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.088 -0.024 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.334 1.985 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.500 0.397 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.766 -0.307 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.664 -0.765 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.082 2.088 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.270 0.995 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.770 2.614 -2.763 1.00 0.00 H new ATOM 590 N LYS A 39 -6.566 0.970 1.185 1.00 0.00 N ATOM 591 CA LYS A 39 -6.874 0.516 2.536 1.00 0.00 C ATOM 592 C LYS A 39 -8.165 -0.296 2.556 1.00 0.00 C ATOM 593 O LYS A 39 -8.240 -1.346 3.194 1.00 0.00 O ATOM 594 CB LYS A 39 -6.997 1.712 3.483 1.00 0.00 C ATOM 595 CG LYS A 39 -5.660 2.323 3.867 1.00 0.00 C ATOM 596 CD LYS A 39 -5.841 3.595 4.677 1.00 0.00 C ATOM 597 CE LYS A 39 -4.528 4.057 5.291 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.671 5.366 5.987 1.00 0.00 N ATOM 0 H LYS A 39 -6.635 1.979 1.054 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.058 -0.123 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.614 2.476 3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.516 1.397 4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.082 1.602 4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.087 2.543 2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.241 4.381 4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.573 3.424 5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.174 3.307 5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.772 4.141 4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.730 5.727 6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.143 6.045 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.240 5.241 6.848 1.00 0.00 H new ATOM 612 N GLY A 40 -9.180 0.196 1.853 1.00 0.00 N ATOM 613 CA GLY A 40 -10.454 -0.498 1.802 1.00 0.00 C ATOM 614 C GLY A 40 -10.343 -1.868 1.165 1.00 0.00 C ATOM 615 O GLY A 40 -11.156 -2.754 1.433 1.00 0.00 O ATOM 0 H GLY A 40 -9.143 1.063 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.848 -0.602 2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.169 0.103 1.241 1.00 0.00 H new ATOM 619 N LEU A 41 -9.335 -2.044 0.317 1.00 0.00 N ATOM 620 CA LEU A 41 -9.121 -3.317 -0.363 1.00 0.00 C ATOM 621 C LEU A 41 -8.765 -4.414 0.635 1.00 0.00 C ATOM 622 O LEU A 41 -9.364 -5.490 0.631 1.00 0.00 O ATOM 623 CB LEU A 41 -8.011 -3.180 -1.406 1.00 0.00 C ATOM 624 CG LEU A 41 -7.435 -4.488 -1.950 1.00 0.00 C ATOM 625 CD1 LEU A 41 -8.337 -5.060 -3.032 1.00 0.00 C ATOM 626 CD2 LEU A 41 -6.028 -4.270 -2.486 1.00 0.00 C ATOM 0 H LEU A 41 -8.654 -1.322 0.084 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.049 -3.594 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.397 -2.600 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.197 -2.603 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.383 -5.207 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.911 -5.990 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.325 -5.255 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.423 -4.345 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.635 -5.212 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.055 -3.534 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.385 -3.908 -1.684 1.00 0.00 H new ATOM 638 N LEU A 42 -7.786 -4.135 1.489 1.00 0.00 N ATOM 639 CA LEU A 42 -7.351 -5.097 2.495 1.00 0.00 C ATOM 640 C LEU A 42 -8.324 -5.136 3.669 1.00 0.00 C ATOM 641 O LEU A 42 -8.489 -6.169 4.318 1.00 0.00 O ATOM 642 CB LEU A 42 -5.948 -4.745 2.992 1.00 0.00 C ATOM 643 CG LEU A 42 -4.815 -4.913 1.979 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.588 -4.127 2.415 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.472 -6.385 1.803 1.00 0.00 C ATOM 0 H LEU A 42 -7.279 -3.250 1.505 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.329 -6.084 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.954 -3.709 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.726 -5.364 3.861 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.150 -4.521 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.792 -4.259 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.841 -3.069 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.250 -4.489 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.664 -6.486 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.156 -6.802 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.350 -6.923 1.445 1.00 0.00 H new ATOM 657 N SER A 43 -8.968 -4.004 3.935 1.00 0.00 N ATOM 658 CA SER A 43 -9.924 -3.908 5.031 1.00 0.00 C ATOM 659 C SER A 43 -10.876 -5.100 5.028 1.00 0.00 C ATOM 660 O SER A 43 -11.195 -5.656 6.079 1.00 0.00 O ATOM 661 CB SER A 43 -10.720 -2.605 4.930 1.00 0.00 C ATOM 662 OG SER A 43 -11.999 -2.741 5.524 1.00 0.00 O ATOM 0 H SER A 43 -8.845 -3.141 3.406 1.00 0.00 H new ATOM 0 HA SER A 43 -9.366 -3.913 5.967 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.171 -1.801 5.421 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.830 -2.323 3.883 1.00 0.00 H new ATOM 0 HG SER A 43 -11.903 -2.803 6.497 1.00 0.00 H new ATOM 668 N ARG A 44 -11.326 -5.487 3.839 1.00 0.00 N ATOM 669 CA ARG A 44 -12.242 -6.612 3.698 1.00 0.00 C ATOM 670 C ARG A 44 -11.519 -7.935 3.932 1.00 0.00 C ATOM 671 O ARG A 44 -12.130 -8.926 4.334 1.00 0.00 O ATOM 672 CB ARG A 44 -12.881 -6.606 2.308 1.00 0.00 C ATOM 673 CG ARG A 44 -13.991 -5.579 2.151 1.00 0.00 C ATOM 674 CD ARG A 44 -15.297 -6.076 2.751 1.00 0.00 C ATOM 675 NE ARG A 44 -16.363 -5.084 2.636 1.00 0.00 N ATOM 676 CZ ARG A 44 -17.636 -5.338 2.919 1.00 0.00 C ATOM 677 NH1 ARG A 44 -18.000 -6.545 3.330 1.00 0.00 N ATOM 678 NH2 ARG A 44 -18.549 -4.383 2.790 1.00 0.00 N ATOM 0 H ARG A 44 -11.071 -5.038 2.959 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.024 -6.508 4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.109 -6.411 1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.283 -7.597 2.098 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.698 -4.648 2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.136 -5.357 1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.601 -6.995 2.249 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.143 -6.323 3.801 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.117 -4.146 2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.302 -7.282 3.430 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.978 -6.737 3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.273 -3.453 2.473 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.526 -4.579 3.007 1.00 0.00 H new ATOM 692 N LEU A 45 -10.215 -7.943 3.676 1.00 0.00 N ATOM 693 CA LEU A 45 -9.408 -9.144 3.859 1.00 0.00 C ATOM 694 C LEU A 45 -9.137 -9.399 5.338 1.00 0.00 C ATOM 695 O LEU A 45 -9.542 -10.425 5.887 1.00 0.00 O ATOM 696 CB LEU A 45 -8.085 -9.013 3.101 1.00 0.00 C ATOM 697 CG LEU A 45 -8.102 -9.461 1.639 1.00 0.00 C ATOM 698 CD1 LEU A 45 -9.148 -8.684 0.855 1.00 0.00 C ATOM 699 CD2 LEU A 45 -6.726 -9.288 1.013 1.00 0.00 C ATOM 0 H LEU A 45 -9.695 -7.132 3.341 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.966 -9.991 3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.770 -7.970 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.328 -9.593 3.629 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.364 -10.518 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.146 -9.016 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.132 -8.858 1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.917 -7.620 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.756 -9.612 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.435 -8.239 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.000 -9.890 1.559 1.00 0.00 H new ATOM 711 N LEU A 46 -8.451 -8.459 5.979 1.00 0.00 N ATOM 712 CA LEU A 46 -8.127 -8.581 7.396 1.00 0.00 C ATOM 713 C LEU A 46 -9.292 -8.113 8.262 1.00 0.00 C ATOM 714 O LEU A 46 -9.168 -8.001 9.482 1.00 0.00 O ATOM 715 CB LEU A 46 -6.874 -7.768 7.724 1.00 0.00 C ATOM 716 CG LEU A 46 -5.617 -8.122 6.929 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.661 -6.940 6.887 1.00 0.00 C ATOM 718 CD2 LEU A 46 -4.932 -9.342 7.529 1.00 0.00 C ATOM 0 H LEU A 46 -8.109 -7.604 5.540 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.937 -9.632 7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.097 -6.713 7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.655 -7.888 8.785 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.912 -8.361 5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.772 -7.211 6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.152 -6.091 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.372 -6.669 7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.039 -9.579 6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.650 -9.131 8.560 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.615 -10.191 7.506 1.00 0.00 H new ATOM 730 N LYS A 47 -10.426 -7.842 7.624 1.00 0.00 N ATOM 731 CA LYS A 47 -11.616 -7.390 8.336 1.00 0.00 C ATOM 732 C LYS A 47 -11.297 -6.188 9.219 1.00 0.00 C ATOM 733 O LYS A 47 -11.937 -5.974 10.249 1.00 0.00 O ATOM 734 CB LYS A 47 -12.188 -8.525 9.188 1.00 0.00 C ATOM 735 CG LYS A 47 -12.085 -9.890 8.531 1.00 0.00 C ATOM 736 CD LYS A 47 -12.813 -9.924 7.198 1.00 0.00 C ATOM 737 CE LYS A 47 -14.306 -10.146 7.383 1.00 0.00 C ATOM 738 NZ LYS A 47 -14.627 -11.580 7.625 1.00 0.00 N ATOM 0 H LYS A 47 -10.546 -7.928 6.615 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.359 -7.089 7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.664 -8.550 10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.235 -8.313 9.404 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.036 -10.144 8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.504 -10.647 9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.647 -8.986 6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.400 -10.719 6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.661 -9.548 8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.837 -9.799 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.654 -11.690 7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.311 -12.148 6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.140 -11.904 8.485 1.00 0.00 H new ATOM 752 N VAL A 48 -10.305 -5.404 8.809 1.00 0.00 N ATOM 753 CA VAL A 48 -9.904 -4.221 9.561 1.00 0.00 C ATOM 754 C VAL A 48 -10.477 -2.953 8.939 1.00 0.00 C ATOM 755 O VAL A 48 -10.495 -2.783 7.720 1.00 0.00 O ATOM 756 CB VAL A 48 -8.370 -4.096 9.634 1.00 0.00 C ATOM 757 CG1 VAL A 48 -7.972 -2.848 10.407 1.00 0.00 C ATOM 758 CG2 VAL A 48 -7.764 -5.340 10.265 1.00 0.00 C ATOM 0 H VAL A 48 -9.764 -5.567 7.960 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.301 -4.338 10.570 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.981 -4.005 8.620 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.885 -2.777 10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.375 -1.967 9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.370 -2.905 11.420 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.680 -5.235 10.309 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.157 -5.465 11.274 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.020 -6.214 9.665 1.00 0.00 H new ATOM 768 N PRO A 49 -10.958 -2.039 9.795 1.00 0.00 N ATOM 769 CA PRO A 49 -11.540 -0.769 9.352 1.00 0.00 C ATOM 770 C PRO A 49 -10.494 0.178 8.775 1.00 0.00 C ATOM 771 O PRO A 49 -9.472 0.450 9.406 1.00 0.00 O ATOM 772 CB PRO A 49 -12.139 -0.187 10.635 1.00 0.00 C ATOM 773 CG PRO A 49 -11.343 -0.798 11.736 1.00 0.00 C ATOM 774 CD PRO A 49 -10.969 -2.175 11.261 1.00 0.00 C ATOM 0 HA PRO A 49 -12.267 -0.911 8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.064 0.900 10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.196 -0.435 10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.454 -0.205 11.951 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.924 -0.847 12.657 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.995 -2.481 11.643 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.690 -2.923 11.590 1.00 0.00 H new ATOM 782 N VAL A 50 -10.756 0.680 7.572 1.00 0.00 N ATOM 783 CA VAL A 50 -9.837 1.598 6.910 1.00 0.00 C ATOM 784 C VAL A 50 -9.367 2.689 7.866 1.00 0.00 C ATOM 785 O VAL A 50 -8.273 3.232 7.714 1.00 0.00 O ATOM 786 CB VAL A 50 -10.491 2.256 5.680 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.691 3.471 5.236 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.623 1.251 4.546 1.00 0.00 C ATOM 0 H VAL A 50 -11.597 0.466 7.036 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.979 1.009 6.585 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.491 2.591 5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.168 3.923 4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.653 4.198 6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.678 3.164 4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.087 1.733 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.635 0.884 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.242 0.415 4.871 1.00 0.00 H new ATOM 798 N SER A 51 -10.201 3.004 8.852 1.00 0.00 N ATOM 799 CA SER A 51 -9.872 4.032 9.832 1.00 0.00 C ATOM 800 C SER A 51 -8.633 3.643 10.633 1.00 0.00 C ATOM 801 O SER A 51 -7.730 4.455 10.831 1.00 0.00 O ATOM 802 CB SER A 51 -11.053 4.262 10.778 1.00 0.00 C ATOM 803 OG SER A 51 -11.926 5.257 10.272 1.00 0.00 O ATOM 0 H SER A 51 -11.109 2.562 8.993 1.00 0.00 H new ATOM 0 HA SER A 51 -9.661 4.956 9.295 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.600 3.329 10.915 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.684 4.562 11.759 1.00 0.00 H new ATOM 0 HG SER A 51 -12.673 5.384 10.894 1.00 0.00 H new ATOM 809 N GLU A 52 -8.598 2.395 11.089 1.00 0.00 N ATOM 810 CA GLU A 52 -7.470 1.899 11.869 1.00 0.00 C ATOM 811 C GLU A 52 -6.304 1.524 10.960 1.00 0.00 C ATOM 812 O GLU A 52 -5.144 1.795 11.275 1.00 0.00 O ATOM 813 CB GLU A 52 -7.892 0.686 12.702 1.00 0.00 C ATOM 814 CG GLU A 52 -9.037 0.973 13.658 1.00 0.00 C ATOM 815 CD GLU A 52 -9.619 -0.288 14.267 1.00 0.00 C ATOM 816 OE1 GLU A 52 -8.949 -1.340 14.207 1.00 0.00 O ATOM 817 OE2 GLU A 52 -10.745 -0.222 14.804 1.00 0.00 O ATOM 0 H GLU A 52 -9.337 1.710 10.932 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.145 2.696 12.538 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.184 -0.121 12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.034 0.331 13.273 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.684 1.628 14.455 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.822 1.511 13.127 1.00 0.00 H new ATOM 824 N LEU A 53 -6.618 0.900 9.830 1.00 0.00 N ATOM 825 CA LEU A 53 -5.597 0.487 8.874 1.00 0.00 C ATOM 826 C LEU A 53 -4.570 1.595 8.661 1.00 0.00 C ATOM 827 O LEU A 53 -4.842 2.585 7.981 1.00 0.00 O ATOM 828 CB LEU A 53 -6.242 0.110 7.539 1.00 0.00 C ATOM 829 CG LEU A 53 -6.681 -1.347 7.394 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.432 -1.550 6.087 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.479 -2.277 7.470 1.00 0.00 C ATOM 0 H LEU A 53 -7.572 0.669 9.553 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.085 -0.385 9.281 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.113 0.748 7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.536 0.337 6.740 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.353 -1.587 8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.737 -2.593 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.315 -0.911 6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.783 -1.291 5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.811 -3.310 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.782 -2.037 6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.982 -2.152 8.432 1.00 0.00 H new ATOM 843 N LEU A 54 -3.390 1.421 9.245 1.00 0.00 N ATOM 844 CA LEU A 54 -2.321 2.405 9.117 1.00 0.00 C ATOM 845 C LEU A 54 -1.295 1.964 8.078 1.00 0.00 C ATOM 846 O LEU A 54 -0.474 1.082 8.335 1.00 0.00 O ATOM 847 CB LEU A 54 -1.635 2.620 10.467 1.00 0.00 C ATOM 848 CG LEU A 54 -2.395 3.481 11.477 1.00 0.00 C ATOM 849 CD1 LEU A 54 -1.750 3.388 12.851 1.00 0.00 C ATOM 850 CD2 LEU A 54 -2.450 4.928 11.008 1.00 0.00 C ATOM 0 H LEU A 54 -3.149 0.608 9.812 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.764 3.345 8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.450 1.645 10.917 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.662 3.078 10.289 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.415 3.105 11.552 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.305 4.007 13.556 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.763 2.352 13.190 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.719 3.738 12.794 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.994 5.527 11.738 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.437 5.316 10.904 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.959 4.979 10.045 1.00 0.00 H new ATOM 862 N LEU A 55 -1.347 2.583 6.903 1.00 0.00 N ATOM 863 CA LEU A 55 -0.421 2.256 5.825 1.00 0.00 C ATOM 864 C LEU A 55 0.837 3.116 5.907 1.00 0.00 C ATOM 865 O LEU A 55 0.759 4.331 6.085 1.00 0.00 O ATOM 866 CB LEU A 55 -1.098 2.452 4.467 1.00 0.00 C ATOM 867 CG LEU A 55 -1.726 1.204 3.845 1.00 0.00 C ATOM 868 CD1 LEU A 55 -2.672 0.535 4.829 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.458 1.561 2.559 1.00 0.00 C ATOM 0 H LEU A 55 -2.021 3.314 6.673 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.132 1.211 5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.874 3.209 4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.361 2.850 3.770 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.929 0.501 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.109 -0.351 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.121 0.245 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.465 1.231 5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.899 0.661 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.245 2.283 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.755 1.995 1.848 1.00 0.00 H new ATOM 881 N SER A 56 1.994 2.476 5.774 1.00 0.00 N ATOM 882 CA SER A 56 3.269 3.182 5.835 1.00 0.00 C ATOM 883 C SER A 56 4.280 2.561 4.877 1.00 0.00 C ATOM 884 O SER A 56 4.639 1.390 5.007 1.00 0.00 O ATOM 885 CB SER A 56 3.821 3.159 7.262 1.00 0.00 C ATOM 886 OG SER A 56 3.694 1.871 7.837 1.00 0.00 O ATOM 0 H SER A 56 2.075 1.470 5.623 1.00 0.00 H new ATOM 0 HA SER A 56 3.098 4.216 5.535 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.870 3.455 7.254 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.288 3.888 7.873 1.00 0.00 H new ATOM 0 HG SER A 56 4.581 1.530 8.075 1.00 0.00 H new ATOM 892 N TYR A 57 4.736 3.353 3.913 1.00 0.00 N ATOM 893 CA TYR A 57 5.704 2.882 2.930 1.00 0.00 C ATOM 894 C TYR A 57 7.124 3.265 3.336 1.00 0.00 C ATOM 895 O TYR A 57 7.351 4.332 3.907 1.00 0.00 O ATOM 896 CB TYR A 57 5.384 3.459 1.550 1.00 0.00 C ATOM 897 CG TYR A 57 6.061 4.782 1.275 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.632 5.948 1.898 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.129 4.868 0.390 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.248 7.159 1.649 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.752 6.074 0.136 1.00 0.00 C ATOM 902 CZ TYR A 57 7.307 7.217 0.768 1.00 0.00 C ATOM 903 OH TYR A 57 7.924 8.422 0.516 1.00 0.00 O ATOM 0 H TYR A 57 4.451 4.325 3.791 1.00 0.00 H new ATOM 0 HA TYR A 57 5.638 1.795 2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.685 2.741 0.787 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.305 3.587 1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.803 5.906 2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.478 3.976 -0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.902 8.056 2.142 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.582 6.122 -0.553 1.00 0.00 H new ATOM 0 HH TYR A 57 7.511 8.844 -0.266 1.00 0.00 H new ATOM 913 N GLU A 58 8.076 2.387 3.037 1.00 0.00 N ATOM 914 CA GLU A 58 9.474 2.633 3.371 1.00 0.00 C ATOM 915 C GLU A 58 10.272 3.012 2.127 1.00 0.00 C ATOM 916 O GLU A 58 10.309 2.265 1.149 1.00 0.00 O ATOM 917 CB GLU A 58 10.089 1.396 4.028 1.00 0.00 C ATOM 918 CG GLU A 58 11.512 1.611 4.517 1.00 0.00 C ATOM 919 CD GLU A 58 12.320 0.328 4.544 1.00 0.00 C ATOM 920 OE1 GLU A 58 12.081 -0.541 3.679 1.00 0.00 O ATOM 921 OE2 GLU A 58 13.189 0.192 5.430 1.00 0.00 O ATOM 0 H GLU A 58 7.905 1.499 2.564 1.00 0.00 H new ATOM 0 HA GLU A 58 9.512 3.466 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.466 1.094 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.080 0.573 3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.009 2.335 3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.487 2.041 5.518 1.00 0.00 H new ATOM 928 N SER A 59 10.909 4.177 2.172 1.00 0.00 N ATOM 929 CA SER A 59 11.704 4.658 1.047 1.00 0.00 C ATOM 930 C SER A 59 13.007 3.875 0.928 1.00 0.00 C ATOM 931 O SER A 59 13.812 3.843 1.859 1.00 0.00 O ATOM 932 CB SER A 59 12.004 6.150 1.209 1.00 0.00 C ATOM 933 OG SER A 59 12.402 6.726 -0.023 1.00 0.00 O ATOM 0 H SER A 59 10.891 4.806 2.975 1.00 0.00 H new ATOM 0 HA SER A 59 11.127 4.508 0.135 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.119 6.663 1.585 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.792 6.288 1.950 1.00 0.00 H new ATOM 0 HG SER A 59 12.586 7.680 0.106 1.00 0.00 H new ATOM 939 N SER A 60 13.208 3.243 -0.224 1.00 0.00 N ATOM 940 CA SER A 60 14.412 2.456 -0.465 1.00 0.00 C ATOM 941 C SER A 60 15.662 3.316 -0.313 1.00 0.00 C ATOM 942 O SER A 60 16.611 2.938 0.375 1.00 0.00 O ATOM 943 CB SER A 60 14.371 1.837 -1.863 1.00 0.00 C ATOM 944 OG SER A 60 14.445 2.837 -2.865 1.00 0.00 O ATOM 0 H SER A 60 12.552 3.261 -1.005 1.00 0.00 H new ATOM 0 HA SER A 60 14.449 1.658 0.276 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.200 1.139 -1.980 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.452 1.264 -1.984 1.00 0.00 H new ATOM 0 HG SER A 60 14.419 2.416 -3.750 1.00 0.00 H new ATOM 950 N LYS A 61 15.657 4.476 -0.960 1.00 0.00 N ATOM 951 CA LYS A 61 16.789 5.393 -0.898 1.00 0.00 C ATOM 952 C LYS A 61 17.169 5.691 0.549 1.00 0.00 C ATOM 953 O LYS A 61 18.280 6.140 0.828 1.00 0.00 O ATOM 954 CB LYS A 61 16.458 6.696 -1.629 1.00 0.00 C ATOM 955 CG LYS A 61 15.599 7.648 -0.815 1.00 0.00 C ATOM 956 CD LYS A 61 16.449 8.592 0.019 1.00 0.00 C ATOM 957 CE LYS A 61 16.795 9.857 -0.750 1.00 0.00 C ATOM 958 NZ LYS A 61 17.999 10.533 -0.193 1.00 0.00 N ATOM 0 H LYS A 61 14.880 4.804 -1.534 1.00 0.00 H new ATOM 0 HA LYS A 61 17.638 4.916 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.387 7.198 -1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.942 6.460 -2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.961 8.226 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 61 14.940 7.076 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.914 8.855 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.366 8.086 0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.969 9.609 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.948 10.542 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 18.202 11.391 -0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.824 10.793 0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.814 9.888 -0.243 1.00 0.00 H new ATOM 972 N MET A 62 16.240 5.437 1.464 1.00 0.00 N ATOM 973 CA MET A 62 16.479 5.677 2.882 1.00 0.00 C ATOM 974 C MET A 62 16.034 4.481 3.718 1.00 0.00 C ATOM 975 O MET A 62 14.931 4.452 4.265 1.00 0.00 O ATOM 976 CB MET A 62 15.742 6.937 3.340 1.00 0.00 C ATOM 977 CG MET A 62 16.283 7.520 4.636 1.00 0.00 C ATOM 978 SD MET A 62 15.982 9.292 4.779 1.00 0.00 S ATOM 979 CE MET A 62 17.532 9.950 4.167 1.00 0.00 C ATOM 0 H MET A 62 15.315 5.065 1.249 1.00 0.00 H new ATOM 0 HA MET A 62 17.550 5.820 3.025 1.00 0.00 H new ATOM 0 HB2 MET A 62 15.808 7.692 2.556 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.685 6.703 3.469 1.00 0.00 H new ATOM 0 HG2 MET A 62 15.822 7.008 5.481 1.00 0.00 H new ATOM 0 HG3 MET A 62 17.355 7.331 4.695 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.501 11.039 4.193 1.00 0.00 H new ATOM 0 HE2 MET A 62 18.350 9.595 4.793 1.00 0.00 H new ATOM 0 HE3 MET A 62 17.689 9.616 3.141 1.00 0.00 H new ATOM 989 N PRO A 63 16.910 3.471 3.821 1.00 0.00 N ATOM 990 CA PRO A 63 16.628 2.254 4.589 1.00 0.00 C ATOM 991 C PRO A 63 16.598 2.511 6.092 1.00 0.00 C ATOM 992 O PRO A 63 17.517 3.112 6.647 1.00 0.00 O ATOM 993 CB PRO A 63 17.793 1.329 4.228 1.00 0.00 C ATOM 994 CG PRO A 63 18.899 2.247 3.839 1.00 0.00 C ATOM 995 CD PRO A 63 18.243 3.438 3.197 1.00 0.00 C ATOM 0 HA PRO A 63 15.648 1.840 4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.077 0.702 5.073 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.528 0.659 3.410 1.00 0.00 H new ATOM 0 HG2 PRO A 63 19.483 2.545 4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 63 19.585 1.759 3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.799 4.355 3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 63 18.177 3.326 2.115 1.00 0.00 H new ATOM 1003 N GLY A 64 15.535 2.052 6.746 1.00 0.00 N ATOM 1004 CA GLY A 64 15.406 2.242 8.179 1.00 0.00 C ATOM 1005 C GLY A 64 14.533 3.430 8.530 1.00 0.00 C ATOM 1006 O GLY A 64 14.739 4.079 9.555 1.00 0.00 O ATOM 0 H GLY A 64 14.761 1.552 6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.985 1.341 8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.396 2.381 8.615 1.00 0.00 H new ATOM 1010 N ARG A 65 13.556 3.717 7.676 1.00 0.00 N ATOM 1011 CA ARG A 65 12.650 4.837 7.900 1.00 0.00 C ATOM 1012 C ARG A 65 11.340 4.636 7.145 1.00 0.00 C ATOM 1013 O ARG A 65 11.339 4.391 5.939 1.00 0.00 O ATOM 1014 CB ARG A 65 13.307 6.147 7.462 1.00 0.00 C ATOM 1015 CG ARG A 65 12.611 7.387 8.000 1.00 0.00 C ATOM 1016 CD ARG A 65 13.193 8.657 7.398 1.00 0.00 C ATOM 1017 NE ARG A 65 12.333 9.815 7.629 1.00 0.00 N ATOM 1018 CZ ARG A 65 12.687 11.062 7.340 1.00 0.00 C ATOM 1019 NH1 ARG A 65 13.877 11.311 6.811 1.00 0.00 N ATOM 1020 NH2 ARG A 65 11.850 12.063 7.580 1.00 0.00 N ATOM 0 H ARG A 65 13.372 3.189 6.823 1.00 0.00 H new ATOM 0 HA ARG A 65 12.431 4.887 8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.346 6.151 7.793 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.319 6.191 6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.545 7.333 7.778 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.709 7.419 9.085 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.177 8.844 7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.335 8.518 6.326 1.00 0.00 H new ATOM 0 HE ARG A 65 11.410 9.657 8.034 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.523 10.544 6.625 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.146 12.270 6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.934 11.875 7.987 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.123 13.020 7.358 1.00 0.00 H new ATOM 1034 N GLU A 66 10.226 4.741 7.864 1.00 0.00 N ATOM 1035 CA GLU A 66 8.910 4.568 7.261 1.00 0.00 C ATOM 1036 C GLU A 66 8.073 5.836 7.411 1.00 0.00 C ATOM 1037 O GLU A 66 8.214 6.573 8.387 1.00 0.00 O ATOM 1038 CB GLU A 66 8.182 3.384 7.901 1.00 0.00 C ATOM 1039 CG GLU A 66 8.119 3.456 9.418 1.00 0.00 C ATOM 1040 CD GLU A 66 7.895 2.100 10.057 1.00 0.00 C ATOM 1041 OE1 GLU A 66 8.726 1.194 9.836 1.00 0.00 O ATOM 1042 OE2 GLU A 66 6.889 1.944 10.780 1.00 0.00 O ATOM 0 H GLU A 66 10.209 4.945 8.863 1.00 0.00 H new ATOM 0 HA GLU A 66 9.049 4.368 6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.167 3.335 7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.682 2.460 7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.048 3.883 9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.315 4.130 9.713 1.00 0.00 H new ATOM 1049 N ILE A 67 7.202 6.081 6.438 1.00 0.00 N ATOM 1050 CA ILE A 67 6.343 7.258 6.462 1.00 0.00 C ATOM 1051 C ILE A 67 4.876 6.865 6.606 1.00 0.00 C ATOM 1052 O ILE A 67 4.341 6.116 5.790 1.00 0.00 O ATOM 1053 CB ILE A 67 6.512 8.105 5.187 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.954 8.604 5.067 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.540 9.276 5.195 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.892 7.596 4.441 1.00 0.00 C ATOM 0 H ILE A 67 7.073 5.480 5.624 1.00 0.00 H new ATOM 0 HA ILE A 67 6.645 7.851 7.325 1.00 0.00 H new ATOM 0 HB ILE A 67 6.290 7.480 4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.966 9.517 4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.323 8.865 6.059 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.672 9.865 4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.518 8.900 5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.733 9.903 6.065 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.896 8.017 4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.910 6.690 5.047 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.547 7.353 3.436 1.00 0.00 H new ATOM 1068 N GLU A 68 4.232 7.377 7.650 1.00 0.00 N ATOM 1069 CA GLU A 68 2.827 7.080 7.901 1.00 0.00 C ATOM 1070 C GLU A 68 1.923 7.943 7.025 1.00 0.00 C ATOM 1071 O GLU A 68 1.956 9.172 7.101 1.00 0.00 O ATOM 1072 CB GLU A 68 2.490 7.304 9.376 1.00 0.00 C ATOM 1073 CG GLU A 68 3.302 8.413 10.024 1.00 0.00 C ATOM 1074 CD GLU A 68 4.587 7.905 10.651 1.00 0.00 C ATOM 1075 OE1 GLU A 68 4.532 6.893 11.379 1.00 0.00 O ATOM 1076 OE2 GLU A 68 5.646 8.521 10.412 1.00 0.00 O ATOM 0 H GLU A 68 4.661 7.999 8.335 1.00 0.00 H new ATOM 0 HA GLU A 68 2.654 6.033 7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.430 7.541 9.466 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.656 6.376 9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.541 9.168 9.275 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.698 8.902 10.788 1.00 0.00 H new ATOM 1083 N LEU A 69 1.118 7.292 6.193 1.00 0.00 N ATOM 1084 CA LEU A 69 0.205 7.998 5.301 1.00 0.00 C ATOM 1085 C LEU A 69 -1.070 8.401 6.035 1.00 0.00 C ATOM 1086 O LEU A 69 -2.048 7.655 6.053 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.141 7.123 4.096 1.00 0.00 C ATOM 1088 CG LEU A 69 1.030 6.389 3.441 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.522 5.318 2.488 1.00 0.00 C ATOM 1090 CD2 LEU A 69 1.933 7.371 2.710 1.00 0.00 C ATOM 0 H LEU A 69 1.079 6.276 6.117 1.00 0.00 H new ATOM 0 HA LEU A 69 0.703 8.903 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.878 6.383 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.618 7.749 3.342 1.00 0.00 H new ATOM 0 HG LEU A 69 1.613 5.903 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.369 4.806 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.083 4.598 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.085 5.781 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.761 6.831 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.361 7.885 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.325 8.101 3.418 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.052 9.587 6.636 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.208 10.088 7.369 1.00 0.00 C ATOM 1104 C GLU A 70 -3.302 10.550 6.411 1.00 0.00 C ATOM 1105 O GLU A 70 -4.491 10.434 6.707 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.797 11.243 8.285 1.00 0.00 C ATOM 1107 CG GLU A 70 -1.173 12.414 7.545 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.955 13.620 8.439 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -0.254 13.481 9.463 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -1.487 14.702 8.114 1.00 0.00 O ATOM 0 H GLU A 70 -0.250 10.218 6.629 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.601 9.273 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.674 11.594 8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.088 10.873 9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.218 12.104 7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.816 12.696 6.711 1.00 0.00 H new ATOM 1117 N ASN A 71 -2.891 11.073 5.260 1.00 0.00 N ATOM 1118 CA ASN A 71 -3.835 11.553 4.258 1.00 0.00 C ATOM 1119 C ASN A 71 -4.324 10.407 3.378 1.00 0.00 C ATOM 1120 O ASN A 71 -3.541 9.785 2.659 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.186 12.635 3.392 1.00 0.00 C ATOM 1122 CG ASN A 71 -3.387 14.027 3.959 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -2.514 14.562 4.643 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -4.541 14.620 3.677 1.00 0.00 N ATOM 0 H ASN A 71 -1.910 11.175 4.998 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.693 11.980 4.778 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.119 12.433 3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.604 12.591 2.386 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.733 15.557 4.031 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.236 14.139 3.106 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.623 10.133 3.439 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.217 9.063 2.647 1.00 0.00 C ATOM 1133 C ASP A 72 -6.762 9.602 1.328 1.00 0.00 C ATOM 1134 O ASP A 72 -6.985 8.847 0.381 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.336 8.378 3.433 1.00 0.00 C ATOM 1136 CG ASP A 72 -7.052 8.332 4.922 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -5.863 8.267 5.298 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -8.020 8.363 5.711 1.00 0.00 O ATOM 0 H ASP A 72 -6.284 10.638 4.029 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.439 8.332 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.273 8.907 3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.470 7.363 3.060 1.00 0.00 H new ATOM 1143 N LEU A 73 -6.976 10.912 1.273 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.497 11.553 0.071 1.00 0.00 C ATOM 1145 C LEU A 73 -6.375 11.842 -0.921 1.00 0.00 C ATOM 1146 O LEU A 73 -6.605 12.429 -1.978 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.220 12.851 0.433 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.423 12.711 1.367 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -9.964 14.080 1.750 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.509 11.869 0.716 1.00 0.00 C ATOM 0 H LEU A 73 -6.797 11.551 2.047 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.205 10.869 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.501 13.526 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.555 13.326 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.096 12.205 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.820 13.960 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.186 14.649 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.275 14.613 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.357 11.780 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.833 12.346 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.116 10.877 0.495 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.162 11.425 -0.573 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.005 11.638 -1.434 1.00 0.00 C ATOM 1164 C GLN A 74 -3.526 10.323 -2.039 1.00 0.00 C ATOM 1165 O GLN A 74 -3.537 9.274 -1.394 1.00 0.00 O ATOM 1166 CB GLN A 74 -2.870 12.294 -0.646 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.134 13.749 -0.295 1.00 0.00 C ATOM 1168 CD GLN A 74 -2.953 14.678 -1.479 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -2.274 14.340 -2.449 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -3.560 15.856 -1.406 1.00 0.00 N ATOM 0 H GLN A 74 -4.955 10.938 0.299 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.305 12.301 -2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.705 11.732 0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.951 12.231 -1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.150 13.848 0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.461 14.053 0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.113 16.095 -0.583 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.474 16.523 -2.173 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.095 10.376 -3.308 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.604 9.197 -4.028 1.00 0.00 C ATOM 1181 C PRO A 75 -1.264 8.707 -3.490 1.00 0.00 C ATOM 1182 O PRO A 75 -0.706 9.289 -2.559 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.452 9.698 -5.466 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.251 11.168 -5.337 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.054 11.592 -4.138 1.00 0.00 C ATOM 0 HA PRO A 75 -3.279 8.347 -3.928 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.605 9.225 -5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.337 9.470 -6.060 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.196 11.407 -5.205 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.586 11.688 -6.235 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.583 12.422 -3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.054 11.920 -4.420 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.751 7.634 -4.083 1.00 0.00 N ATOM 1194 CA LEU A 76 0.525 7.065 -3.664 1.00 0.00 C ATOM 1195 C LEU A 76 1.689 7.929 -4.140 1.00 0.00 C ATOM 1196 O LEU A 76 2.729 8.000 -3.486 1.00 0.00 O ATOM 1197 CB LEU A 76 0.675 5.643 -4.207 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.217 4.581 -3.562 1.00 0.00 C ATOM 1199 CD1 LEU A 76 0.143 4.401 -2.095 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.684 4.954 -3.711 1.00 0.00 C ATOM 0 H LEU A 76 -1.199 7.141 -4.855 1.00 0.00 H new ATOM 0 HA LEU A 76 0.541 7.035 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.469 5.661 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.714 5.337 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.050 3.634 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.502 3.642 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.183 4.087 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.006 5.345 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.303 4.187 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.867 5.912 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.934 5.031 -4.769 1.00 0.00 H new ATOM 1212 N GLN A 77 1.504 8.584 -5.281 1.00 0.00 N ATOM 1213 CA GLN A 77 2.539 9.444 -5.844 1.00 0.00 C ATOM 1214 C GLN A 77 2.786 10.655 -4.949 1.00 0.00 C ATOM 1215 O GLN A 77 3.908 11.154 -4.859 1.00 0.00 O ATOM 1216 CB GLN A 77 2.141 9.905 -7.247 1.00 0.00 C ATOM 1217 CG GLN A 77 0.881 10.755 -7.274 1.00 0.00 C ATOM 1218 CD GLN A 77 0.714 11.509 -8.579 1.00 0.00 C ATOM 1219 OE1 GLN A 77 1.688 11.985 -9.163 1.00 0.00 O ATOM 1220 NE2 GLN A 77 -0.525 11.622 -9.043 1.00 0.00 N ATOM 0 H GLN A 77 0.648 8.536 -5.834 1.00 0.00 H new ATOM 0 HA GLN A 77 3.462 8.867 -5.907 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.963 10.475 -7.680 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.992 9.030 -7.879 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.013 10.116 -7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.909 11.466 -6.449 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.303 11.212 -8.526 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.699 12.119 -9.917 1.00 0.00 H new ATOM 1229 N PHE A 78 1.731 11.122 -4.290 1.00 0.00 N ATOM 1230 CA PHE A 78 1.833 12.276 -3.404 1.00 0.00 C ATOM 1231 C PHE A 78 2.924 12.063 -2.358 1.00 0.00 C ATOM 1232 O PHE A 78 3.607 13.005 -1.957 1.00 0.00 O ATOM 1233 CB PHE A 78 0.493 12.535 -2.713 1.00 0.00 C ATOM 1234 CG PHE A 78 0.500 13.747 -1.826 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.582 15.019 -2.369 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.425 13.615 -0.449 1.00 0.00 C ATOM 1237 CE1 PHE A 78 0.590 16.136 -1.555 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.432 14.728 0.371 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.514 15.990 -0.184 1.00 0.00 C ATOM 0 H PHE A 78 0.796 10.719 -4.353 1.00 0.00 H new ATOM 0 HA PHE A 78 2.097 13.144 -4.008 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.281 12.654 -3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.225 11.661 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.640 15.139 -3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.360 12.630 -0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.656 17.122 -1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.373 14.611 1.443 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.519 16.862 0.454 1.00 0.00 H new ATOM 1249 N TYR A 79 3.082 10.818 -1.921 1.00 0.00 N ATOM 1250 CA TYR A 79 4.087 10.481 -0.920 1.00 0.00 C ATOM 1251 C TYR A 79 5.403 10.086 -1.582 1.00 0.00 C ATOM 1252 O TYR A 79 6.276 9.492 -0.949 1.00 0.00 O ATOM 1253 CB TYR A 79 3.588 9.341 -0.030 1.00 0.00 C ATOM 1254 CG TYR A 79 2.502 9.758 0.935 1.00 0.00 C ATOM 1255 CD1 TYR A 79 2.816 10.331 2.161 1.00 0.00 C ATOM 1256 CD2 TYR A 79 1.160 9.580 0.620 1.00 0.00 C ATOM 1257 CE1 TYR A 79 1.827 10.712 3.046 1.00 0.00 C ATOM 1258 CE2 TYR A 79 0.164 9.959 1.499 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.502 10.525 2.710 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.487 10.905 3.589 1.00 0.00 O ATOM 0 H TYR A 79 2.527 10.026 -2.244 1.00 0.00 H new ATOM 0 HA TYR A 79 4.261 11.364 -0.305 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.212 8.536 -0.662 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.429 8.937 0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.852 10.481 2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.891 9.138 -0.328 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.089 11.154 3.996 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.874 9.813 1.239 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.235 11.748 4.020 1.00 0.00 H new ATOM 1270 N SER A 80 5.539 10.421 -2.862 1.00 0.00 N ATOM 1271 CA SER A 80 6.747 10.099 -3.612 1.00 0.00 C ATOM 1272 C SER A 80 6.969 8.590 -3.664 1.00 0.00 C ATOM 1273 O SER A 80 8.105 8.117 -3.642 1.00 0.00 O ATOM 1274 CB SER A 80 7.962 10.783 -2.982 1.00 0.00 C ATOM 1275 OG SER A 80 7.994 12.162 -3.304 1.00 0.00 O ATOM 0 H SER A 80 4.827 10.915 -3.400 1.00 0.00 H new ATOM 0 HA SER A 80 6.620 10.465 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.932 10.660 -1.899 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.876 10.303 -3.332 1.00 0.00 H new ATOM 0 HG SER A 80 8.779 12.577 -2.888 1.00 0.00 H new ATOM 1281 N VAL A 81 5.874 7.840 -3.732 1.00 0.00 N ATOM 1282 CA VAL A 81 5.946 6.384 -3.788 1.00 0.00 C ATOM 1283 C VAL A 81 6.141 5.899 -5.220 1.00 0.00 C ATOM 1284 O VAL A 81 5.462 6.357 -6.139 1.00 0.00 O ATOM 1285 CB VAL A 81 4.677 5.736 -3.206 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.753 4.221 -3.313 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.474 6.167 -1.761 1.00 0.00 C ATOM 0 H VAL A 81 4.926 8.216 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 81 6.805 6.086 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 81 3.819 6.074 -3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.847 3.781 -2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.847 3.934 -4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.620 3.860 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.572 5.700 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.334 5.860 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.370 7.251 -1.716 1.00 0.00 H new ATOM 1297 N GLU A 82 7.072 4.967 -5.403 1.00 0.00 N ATOM 1298 CA GLU A 82 7.355 4.419 -6.724 1.00 0.00 C ATOM 1299 C GLU A 82 7.599 2.915 -6.648 1.00 0.00 C ATOM 1300 O GLU A 82 7.996 2.392 -5.608 1.00 0.00 O ATOM 1301 CB GLU A 82 8.572 5.114 -7.338 1.00 0.00 C ATOM 1302 CG GLU A 82 8.350 6.590 -7.625 1.00 0.00 C ATOM 1303 CD GLU A 82 9.523 7.227 -8.344 1.00 0.00 C ATOM 1304 OE1 GLU A 82 9.800 6.831 -9.496 1.00 0.00 O ATOM 1305 OE2 GLU A 82 10.164 8.122 -7.755 1.00 0.00 O ATOM 0 H GLU A 82 7.642 4.576 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 82 6.486 4.597 -7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.420 5.008 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.839 4.608 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.451 6.708 -8.230 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.174 7.116 -6.687 1.00 0.00 H new ATOM 1312 N ASN A 83 7.356 2.226 -7.758 1.00 0.00 N ATOM 1313 CA ASN A 83 7.548 0.781 -7.818 1.00 0.00 C ATOM 1314 C ASN A 83 8.825 0.371 -7.092 1.00 0.00 C ATOM 1315 O ASN A 83 9.834 1.072 -7.146 1.00 0.00 O ATOM 1316 CB ASN A 83 7.603 0.313 -9.274 1.00 0.00 C ATOM 1317 CG ASN A 83 8.585 1.118 -10.103 1.00 0.00 C ATOM 1318 OD1 ASN A 83 8.817 2.298 -9.839 1.00 0.00 O ATOM 1319 ND2 ASN A 83 9.167 0.482 -11.113 1.00 0.00 N ATOM 0 H ASN A 83 7.026 2.644 -8.628 1.00 0.00 H new ATOM 0 HA ASN A 83 6.701 0.306 -7.322 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.884 -0.740 -9.304 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.610 0.391 -9.716 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.836 0.972 -11.706 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.945 -0.497 -11.295 1.00 0.00 H new ATOM 1326 N GLY A 84 8.773 -0.771 -6.412 1.00 0.00 N ATOM 1327 CA GLY A 84 9.931 -1.255 -5.685 1.00 0.00 C ATOM 1328 C GLY A 84 9.794 -1.071 -4.187 1.00 0.00 C ATOM 1329 O GLY A 84 10.152 -1.957 -3.410 1.00 0.00 O ATOM 0 H GLY A 84 7.949 -1.369 -6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.079 -2.312 -5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.820 -0.729 -6.033 1.00 0.00 H new ATOM 1333 N ASP A 85 9.275 0.082 -3.779 1.00 0.00 N ATOM 1334 CA ASP A 85 9.092 0.380 -2.363 1.00 0.00 C ATOM 1335 C ASP A 85 8.364 -0.761 -1.658 1.00 0.00 C ATOM 1336 O ASP A 85 7.962 -1.738 -2.290 1.00 0.00 O ATOM 1337 CB ASP A 85 8.311 1.683 -2.191 1.00 0.00 C ATOM 1338 CG ASP A 85 9.155 2.907 -2.486 1.00 0.00 C ATOM 1339 OD1 ASP A 85 9.325 3.238 -3.679 1.00 0.00 O ATOM 1340 OD2 ASP A 85 9.645 3.536 -1.525 1.00 0.00 O ATOM 0 H ASP A 85 8.974 0.826 -4.409 1.00 0.00 H new ATOM 0 HA ASP A 85 10.077 0.494 -1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.445 1.674 -2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.932 1.744 -1.171 1.00 0.00 H new ATOM 1345 N CYS A 86 8.200 -0.629 -0.346 1.00 0.00 N ATOM 1346 CA CYS A 86 7.523 -1.650 0.446 1.00 0.00 C ATOM 1347 C CYS A 86 6.271 -1.082 1.107 1.00 0.00 C ATOM 1348 O CYS A 86 6.227 0.093 1.472 1.00 0.00 O ATOM 1349 CB CYS A 86 8.468 -2.210 1.510 1.00 0.00 C ATOM 1350 SG CYS A 86 9.611 -3.468 0.893 1.00 0.00 S ATOM 0 H CYS A 86 8.526 0.174 0.191 1.00 0.00 H new ATOM 0 HA CYS A 86 7.225 -2.457 -0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.044 -1.389 1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.875 -2.638 2.318 1.00 0.00 H new ATOM 0 HG CYS A 86 10.370 -3.879 1.865 1.00 0.00 H new ATOM 1356 N LEU A 87 5.255 -1.924 1.258 1.00 0.00 N ATOM 1357 CA LEU A 87 4.000 -1.507 1.874 1.00 0.00 C ATOM 1358 C LEU A 87 3.833 -2.140 3.252 1.00 0.00 C ATOM 1359 O LEU A 87 3.767 -3.363 3.381 1.00 0.00 O ATOM 1360 CB LEU A 87 2.819 -1.885 0.980 1.00 0.00 C ATOM 1361 CG LEU A 87 2.595 -1.000 -0.247 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.366 -1.458 -1.018 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.455 0.458 0.166 1.00 0.00 C ATOM 0 H LEU A 87 5.275 -2.900 0.962 1.00 0.00 H new ATOM 0 HA LEU A 87 4.025 -0.424 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.959 -2.912 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.912 -1.870 1.585 1.00 0.00 H new ATOM 0 HG LEU A 87 3.463 -1.090 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.222 -0.817 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.505 -2.488 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.489 -1.398 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.296 1.073 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.605 0.565 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.364 0.781 0.674 1.00 0.00 H new ATOM 1375 N LEU A 88 3.764 -1.300 4.279 1.00 0.00 N ATOM 1376 CA LEU A 88 3.602 -1.777 5.648 1.00 0.00 C ATOM 1377 C LEU A 88 2.156 -1.623 6.111 1.00 0.00 C ATOM 1378 O LEU A 88 1.686 -0.511 6.352 1.00 0.00 O ATOM 1379 CB LEU A 88 4.535 -1.014 6.589 1.00 0.00 C ATOM 1380 CG LEU A 88 6.008 -0.968 6.182 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.712 0.201 6.853 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.698 -2.279 6.530 1.00 0.00 C ATOM 0 H LEU A 88 3.818 -0.285 4.190 1.00 0.00 H new ATOM 0 HA LEU A 88 3.860 -2.836 5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.171 0.010 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.466 -1.464 7.580 1.00 0.00 H new ATOM 0 HG LEU A 88 6.062 -0.826 5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.759 0.217 6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.234 1.134 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.648 0.091 7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.746 -2.229 6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.633 -2.450 7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.210 -3.098 6.002 1.00 0.00 H new ATOM 1394 N VAL A 89 1.457 -2.746 6.236 1.00 0.00 N ATOM 1395 CA VAL A 89 0.066 -2.736 6.673 1.00 0.00 C ATOM 1396 C VAL A 89 -0.034 -2.879 8.188 1.00 0.00 C ATOM 1397 O VAL A 89 0.473 -3.840 8.766 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.740 -3.868 6.008 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.174 -3.870 6.513 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.699 -3.731 4.493 1.00 0.00 C ATOM 0 H VAL A 89 1.831 -3.675 6.041 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.354 -1.776 6.372 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.285 -4.821 6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.728 -4.676 6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.179 -4.020 7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.644 -2.916 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.273 -4.539 4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.129 -2.772 4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.335 -3.784 4.151 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.692 -1.916 8.825 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.859 -1.933 10.273 1.00 0.00 C ATOM 1412 C ARG A 90 -2.295 -1.591 10.659 1.00 0.00 C ATOM 1413 O ARG A 90 -3.094 -1.183 9.816 1.00 0.00 O ATOM 1414 CB ARG A 90 0.106 -0.945 10.931 1.00 0.00 C ATOM 1415 CG ARG A 90 1.443 -1.561 11.311 1.00 0.00 C ATOM 1416 CD ARG A 90 2.555 -0.524 11.309 1.00 0.00 C ATOM 1417 NE ARG A 90 2.435 0.410 12.425 1.00 0.00 N ATOM 1418 CZ ARG A 90 2.771 0.108 13.675 1.00 0.00 C ATOM 1419 NH1 ARG A 90 3.245 -1.095 13.965 1.00 0.00 N ATOM 1420 NH2 ARG A 90 2.633 1.012 14.637 1.00 0.00 N ATOM 0 H ARG A 90 -1.118 -1.114 8.361 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.636 -2.939 10.627 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.280 -0.112 10.250 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.362 -0.534 11.825 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.368 -2.014 12.300 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.688 -2.360 10.612 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.520 -1.028 11.360 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.533 0.029 10.370 1.00 0.00 H new ATOM 0 HE ARG A 90 2.074 1.345 12.235 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.353 -1.792 13.228 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.502 -1.324 14.925 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.269 1.939 14.417 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.891 0.780 15.596 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.615 -1.760 11.937 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.955 -1.470 12.434 1.00 0.00 C ATOM 1436 C TRP A 91 -4.020 -1.631 13.949 1.00 0.00 C ATOM 1437 O TRP A 91 -3.364 -2.504 14.519 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.979 -2.390 11.767 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.919 -3.803 12.262 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.417 -4.280 13.440 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.327 -4.921 11.592 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -5.170 -5.628 13.544 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.503 -6.045 12.422 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.667 -5.083 10.371 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -4.042 -7.311 12.069 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.209 -6.339 10.022 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.399 -7.440 10.868 1.00 0.00 C ATOM 0 H TRP A 91 -1.965 -2.096 12.648 1.00 0.00 H new ATOM 0 HA TRP A 91 -4.191 -0.435 12.186 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.980 -1.994 11.940 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.816 -2.383 10.689 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.930 -3.685 14.182 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.439 -6.221 14.329 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.517 -4.241 9.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.187 -8.161 12.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.696 -6.475 9.081 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.031 -8.409 10.566 1.00 0.00 H new