USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=18 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 Set 1.1: A 57 TYR OH : rot -65:sc= 1.27 USER MOD Set 1.2: A 59 SER OG : rot -0:sc= 1.16 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0.129 USER MOD Set 2.2: A 28 GLN : amide:sc= -0.383 X(o=-0.25,f=-0.36) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.186 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -145:sc= -0.0827 (180deg=-0.481) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 36 GLN : amide:sc= -0.0179 K(o=-0.018,f=-1.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= 0.201 (180deg=0.103) USER MOD Single : A 43 SER OG : rot 71:sc= 1.16 USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= -0.0577 (180deg=-0.32) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= -0.0684 (180deg=-0.396) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -4.62! C(o=-4.6!,f=-7.8!) USER MOD Single : A 74 GLN : amide:sc= -0.215 K(o=-0.22,f=-3.8!) USER MOD Single : A 77 GLN :FLIP amide:sc= -4.47! C(o=-5.2!,f=-4.5!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0.00795 USER MOD Single : A 80 SER OG : rot -53:sc= 0.244 USER MOD Single : A 83 ASN : amide:sc= -0.698 K(o=-0.7,f=-4.4!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 0.542 4.241 -13.977 1.00 0.00 N ATOM 67 CA GLN A 8 1.249 2.974 -14.119 1.00 0.00 C ATOM 68 C GLN A 8 1.221 2.185 -12.814 1.00 0.00 C ATOM 69 O GLN A 8 1.410 2.746 -11.733 1.00 0.00 O ATOM 70 CB GLN A 8 2.697 3.219 -14.550 1.00 0.00 C ATOM 71 CG GLN A 8 3.551 3.867 -13.472 1.00 0.00 C ATOM 72 CD GLN A 8 4.863 4.401 -14.010 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.162 5.589 -13.883 1.00 0.00 O ATOM 74 NE2 GLN A 8 5.656 3.524 -14.616 1.00 0.00 N ATOM 0 HA GLN A 8 0.743 2.389 -14.887 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.148 2.269 -14.837 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.701 3.854 -15.436 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.992 4.682 -13.012 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.754 3.138 -12.688 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.369 2.549 -14.699 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.552 3.826 -14.998 1.00 0.00 H new ATOM 83 N LEU A 9 0.984 0.883 -12.920 1.00 0.00 N ATOM 84 CA LEU A 9 0.930 0.016 -11.748 1.00 0.00 C ATOM 85 C LEU A 9 2.280 -0.024 -11.039 1.00 0.00 C ATOM 86 O LEU A 9 3.326 -0.143 -11.678 1.00 0.00 O ATOM 87 CB LEU A 9 0.512 -1.398 -12.153 1.00 0.00 C ATOM 88 CG LEU A 9 -0.992 -1.678 -12.158 1.00 0.00 C ATOM 89 CD1 LEU A 9 -1.645 -1.107 -10.909 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.637 -1.102 -13.410 1.00 0.00 C ATOM 0 H LEU A 9 0.826 0.403 -13.806 1.00 0.00 H new ATOM 0 HA LEU A 9 0.190 0.423 -11.059 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.902 -1.599 -13.151 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.991 -2.105 -11.475 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.142 -2.758 -12.160 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.715 -1.316 -10.930 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.203 -1.566 -10.025 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.486 -0.029 -10.876 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.707 -1.310 -13.397 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.478 -0.024 -13.438 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.189 -1.558 -14.293 1.00 0.00 H new ATOM 102 N LEU A 10 2.250 0.073 -9.714 1.00 0.00 N ATOM 103 CA LEU A 10 3.471 0.045 -8.917 1.00 0.00 C ATOM 104 C LEU A 10 3.600 -1.275 -8.164 1.00 0.00 C ATOM 105 O LEU A 10 2.754 -1.614 -7.335 1.00 0.00 O ATOM 106 CB LEU A 10 3.485 1.213 -7.929 1.00 0.00 C ATOM 107 CG LEU A 10 2.733 2.471 -8.365 1.00 0.00 C ATOM 108 CD1 LEU A 10 2.743 3.511 -7.256 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.342 3.041 -9.639 1.00 0.00 C ATOM 0 H LEU A 10 1.393 0.172 -9.169 1.00 0.00 H new ATOM 0 HA LEU A 10 4.320 0.140 -9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.061 0.869 -6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.522 1.484 -7.733 1.00 0.00 H new ATOM 0 HG LEU A 10 1.698 2.199 -8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.203 4.399 -7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.261 3.101 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.772 3.780 -7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.795 3.936 -9.935 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.386 3.297 -9.460 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.282 2.299 -10.435 1.00 0.00 H new ATOM 121 N THR A 11 4.664 -2.016 -8.456 1.00 0.00 N ATOM 122 CA THR A 11 4.904 -3.298 -7.806 1.00 0.00 C ATOM 123 C THR A 11 5.458 -3.106 -6.398 1.00 0.00 C ATOM 124 O THR A 11 6.608 -2.700 -6.223 1.00 0.00 O ATOM 125 CB THR A 11 5.886 -4.164 -8.618 1.00 0.00 C ATOM 126 OG1 THR A 11 5.551 -4.110 -10.009 1.00 0.00 O ATOM 127 CG2 THR A 11 5.856 -5.608 -8.139 1.00 0.00 C ATOM 0 H THR A 11 5.374 -1.750 -9.139 1.00 0.00 H new ATOM 0 HA THR A 11 3.942 -3.808 -7.749 1.00 0.00 H new ATOM 0 HB THR A 11 6.892 -3.770 -8.472 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.181 -4.662 -10.519 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.557 -6.201 -8.727 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.139 -5.648 -7.087 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.850 -6.011 -8.260 1.00 0.00 H new ATOM 135 N LEU A 12 4.635 -3.400 -5.398 1.00 0.00 N ATOM 136 CA LEU A 12 5.043 -3.260 -4.005 1.00 0.00 C ATOM 137 C LEU A 12 4.816 -4.559 -3.238 1.00 0.00 C ATOM 138 O LEU A 12 3.953 -5.362 -3.596 1.00 0.00 O ATOM 139 CB LEU A 12 4.272 -2.120 -3.339 1.00 0.00 C ATOM 140 CG LEU A 12 4.103 -0.848 -4.171 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.074 0.074 -3.535 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.437 -0.133 -4.328 1.00 0.00 C ATOM 0 H LEU A 12 3.681 -3.737 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 12 6.108 -3.029 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.282 -2.487 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.780 -1.858 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 12 3.745 -1.130 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.968 0.974 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.114 -0.439 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.402 0.349 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.298 0.770 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.824 0.136 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.146 -0.792 -4.829 1.00 0.00 H new ATOM 154 N LYS A 13 5.594 -4.759 -2.179 1.00 0.00 N ATOM 155 CA LYS A 13 5.476 -5.958 -1.358 1.00 0.00 C ATOM 156 C LYS A 13 4.777 -5.648 -0.039 1.00 0.00 C ATOM 157 O LYS A 13 5.260 -4.840 0.755 1.00 0.00 O ATOM 158 CB LYS A 13 6.859 -6.553 -1.087 1.00 0.00 C ATOM 159 CG LYS A 13 7.310 -7.549 -2.142 1.00 0.00 C ATOM 160 CD LYS A 13 8.778 -7.907 -1.979 1.00 0.00 C ATOM 161 CE LYS A 13 9.240 -8.870 -3.062 1.00 0.00 C ATOM 162 NZ LYS A 13 10.693 -9.177 -2.948 1.00 0.00 N ATOM 0 H LYS A 13 6.313 -4.105 -1.869 1.00 0.00 H new ATOM 0 HA LYS A 13 4.875 -6.685 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.588 -5.745 -1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.849 -7.046 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.704 -8.453 -2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.145 -7.129 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.381 -7.000 -2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.937 -8.356 -0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.667 -9.795 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.036 -8.439 -4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.969 -9.836 -3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.242 -8.298 -3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.884 -9.611 -2.023 1.00 0.00 H new ATOM 176 N ILE A 14 3.639 -6.294 0.189 1.00 0.00 N ATOM 177 CA ILE A 14 2.875 -6.088 1.414 1.00 0.00 C ATOM 178 C ILE A 14 3.384 -6.986 2.536 1.00 0.00 C ATOM 179 O ILE A 14 3.418 -8.210 2.401 1.00 0.00 O ATOM 180 CB ILE A 14 1.375 -6.359 1.195 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.759 -5.263 0.322 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.653 -6.449 2.531 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.844 -5.552 -1.160 1.00 0.00 C ATOM 0 H ILE A 14 3.225 -6.965 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 14 3.009 -5.044 1.698 1.00 0.00 H new ATOM 0 HB ILE A 14 1.264 -7.313 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.287 -5.134 0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.263 -4.319 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.406 -6.641 2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.078 -7.261 3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.769 -5.509 3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.388 -4.733 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.889 -5.652 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.316 -6.479 -1.381 1.00 0.00 H new ATOM 195 N LYS A 15 3.778 -6.371 3.646 1.00 0.00 N ATOM 196 CA LYS A 15 4.282 -7.114 4.795 1.00 0.00 C ATOM 197 C LYS A 15 3.674 -6.589 6.092 1.00 0.00 C ATOM 198 O LYS A 15 4.048 -5.520 6.575 1.00 0.00 O ATOM 199 CB LYS A 15 5.808 -7.019 4.860 1.00 0.00 C ATOM 200 CG LYS A 15 6.414 -7.751 6.046 1.00 0.00 C ATOM 201 CD LYS A 15 7.886 -7.415 6.216 1.00 0.00 C ATOM 202 CE LYS A 15 8.080 -5.981 6.684 1.00 0.00 C ATOM 203 NZ LYS A 15 9.330 -5.821 7.477 1.00 0.00 N ATOM 0 H LYS A 15 3.758 -5.359 3.774 1.00 0.00 H new ATOM 0 HA LYS A 15 3.993 -8.158 4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.228 -7.425 3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.097 -5.969 4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.872 -7.486 6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.299 -8.826 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.335 -8.098 6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.406 -7.563 5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.111 -5.318 5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.225 -5.677 7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.426 -4.830 7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.290 -6.435 8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.148 -6.086 6.893 1.00 0.00 H new ATOM 217 N CYS A 16 2.738 -7.348 6.650 1.00 0.00 N ATOM 218 CA CYS A 16 2.079 -6.959 7.892 1.00 0.00 C ATOM 219 C CYS A 16 3.056 -7.000 9.062 1.00 0.00 C ATOM 220 O CYS A 16 3.738 -8.001 9.279 1.00 0.00 O ATOM 221 CB CYS A 16 0.889 -7.878 8.172 1.00 0.00 C ATOM 222 SG CYS A 16 -0.637 -7.386 7.337 1.00 0.00 S ATOM 0 H CYS A 16 2.418 -8.236 6.263 1.00 0.00 H new ATOM 0 HA CYS A 16 1.720 -5.936 7.779 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.147 -8.892 7.866 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.710 -7.905 9.247 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.584 -8.225 7.634 1.00 0.00 H new ATOM 340 N ILE A 24 5.101 -12.788 2.542 1.00 0.00 N ATOM 341 CA ILE A 24 4.890 -11.535 1.827 1.00 0.00 C ATOM 342 C ILE A 24 4.200 -11.775 0.489 1.00 0.00 C ATOM 343 O ILE A 24 4.521 -12.726 -0.226 1.00 0.00 O ATOM 344 CB ILE A 24 6.219 -10.797 1.581 1.00 0.00 C ATOM 345 CG1 ILE A 24 6.864 -10.404 2.912 1.00 0.00 C ATOM 346 CG2 ILE A 24 5.990 -9.568 0.714 1.00 0.00 C ATOM 347 CD1 ILE A 24 8.253 -9.825 2.763 1.00 0.00 C ATOM 0 HA ILE A 24 4.251 -10.916 2.457 1.00 0.00 H new ATOM 0 HB ILE A 24 6.898 -11.468 1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.227 -9.675 3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.912 -11.282 3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.939 -9.057 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.570 -9.872 -0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.297 -8.893 1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.648 -9.569 3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.905 -10.560 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.209 -8.928 2.145 1.00 0.00 H new ATOM 359 N LEU A 25 3.252 -10.907 0.154 1.00 0.00 N ATOM 360 CA LEU A 25 2.517 -11.023 -1.101 1.00 0.00 C ATOM 361 C LEU A 25 2.885 -9.891 -2.054 1.00 0.00 C ATOM 362 O LEU A 25 3.665 -9.004 -1.708 1.00 0.00 O ATOM 363 CB LEU A 25 1.011 -11.011 -0.835 1.00 0.00 C ATOM 364 CG LEU A 25 0.564 -11.565 0.519 1.00 0.00 C ATOM 365 CD1 LEU A 25 1.436 -12.742 0.928 1.00 0.00 C ATOM 366 CD2 LEU A 25 0.602 -10.475 1.580 1.00 0.00 C ATOM 0 H LEU A 25 2.974 -10.115 0.734 1.00 0.00 H new ATOM 0 HA LEU A 25 2.790 -11.969 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.655 -9.984 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.519 -11.585 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.464 -11.916 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.103 -13.123 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.357 -13.531 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.474 -12.417 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.281 -10.887 2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.619 -10.093 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.066 -9.663 1.292 1.00 0.00 H new ATOM 378 N GLU A 26 2.316 -9.927 -3.255 1.00 0.00 N ATOM 379 CA GLU A 26 2.585 -8.903 -4.258 1.00 0.00 C ATOM 380 C GLU A 26 1.283 -8.323 -4.805 1.00 0.00 C ATOM 381 O GLU A 26 0.300 -9.041 -4.990 1.00 0.00 O ATOM 382 CB GLU A 26 3.418 -9.483 -5.402 1.00 0.00 C ATOM 383 CG GLU A 26 4.300 -8.457 -6.094 1.00 0.00 C ATOM 384 CD GLU A 26 4.597 -8.820 -7.536 1.00 0.00 C ATOM 385 OE1 GLU A 26 3.647 -9.172 -8.267 1.00 0.00 O ATOM 386 OE2 GLU A 26 5.779 -8.752 -7.934 1.00 0.00 O ATOM 0 H GLU A 26 1.667 -10.653 -3.557 1.00 0.00 H new ATOM 0 HA GLU A 26 3.148 -8.101 -3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.045 -10.285 -5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.749 -9.929 -6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.812 -7.483 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.238 -8.362 -5.547 1.00 0.00 H new ATOM 393 N LYS A 27 1.285 -7.020 -5.063 1.00 0.00 N ATOM 394 CA LYS A 27 0.107 -6.342 -5.590 1.00 0.00 C ATOM 395 C LYS A 27 0.506 -5.161 -6.469 1.00 0.00 C ATOM 396 O LYS A 27 1.486 -4.472 -6.189 1.00 0.00 O ATOM 397 CB LYS A 27 -0.785 -5.859 -4.443 1.00 0.00 C ATOM 398 CG LYS A 27 -1.872 -6.849 -4.060 1.00 0.00 C ATOM 399 CD LYS A 27 -2.968 -6.908 -5.111 1.00 0.00 C ATOM 400 CE LYS A 27 -4.320 -7.224 -4.489 1.00 0.00 C ATOM 401 NZ LYS A 27 -4.410 -8.644 -4.050 1.00 0.00 N ATOM 0 H LYS A 27 2.090 -6.412 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.449 -7.055 -6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.164 -5.659 -3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.249 -4.915 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.435 -7.839 -3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.302 -6.565 -3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.022 -5.954 -5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.721 -7.667 -5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.489 -6.568 -3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.110 -7.016 -5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.346 -8.819 -3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.274 -9.270 -4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.673 -8.836 -3.342 1.00 0.00 H new ATOM 415 N GLN A 28 -0.261 -4.934 -7.531 1.00 0.00 N ATOM 416 CA GLN A 28 0.014 -3.835 -8.449 1.00 0.00 C ATOM 417 C GLN A 28 -1.140 -2.838 -8.466 1.00 0.00 C ATOM 418 O GLN A 28 -2.249 -3.163 -8.893 1.00 0.00 O ATOM 419 CB GLN A 28 0.260 -4.372 -9.860 1.00 0.00 C ATOM 420 CG GLN A 28 1.720 -4.687 -10.145 1.00 0.00 C ATOM 421 CD GLN A 28 2.082 -4.504 -11.606 1.00 0.00 C ATOM 422 OE1 GLN A 28 1.372 -4.970 -12.497 1.00 0.00 O ATOM 423 NE2 GLN A 28 3.192 -3.821 -11.860 1.00 0.00 N ATOM 0 H GLN A 28 -1.076 -5.496 -7.776 1.00 0.00 H new ATOM 0 HA GLN A 28 0.910 -3.320 -8.102 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.333 -5.275 -10.005 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.093 -3.639 -10.585 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.353 -4.043 -9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.931 -5.714 -9.848 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.751 -3.452 -11.091 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.486 -3.665 -12.824 1.00 0.00 H new ATOM 432 N LEU A 29 -0.873 -1.624 -7.999 1.00 0.00 N ATOM 433 CA LEU A 29 -1.890 -0.578 -7.960 1.00 0.00 C ATOM 434 C LEU A 29 -1.373 0.708 -8.596 1.00 0.00 C ATOM 435 O LEU A 29 -0.201 1.064 -8.470 1.00 0.00 O ATOM 436 CB LEU A 29 -2.319 -0.310 -6.517 1.00 0.00 C ATOM 437 CG LEU A 29 -2.702 -1.539 -5.691 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.849 -2.289 -6.351 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.500 -2.455 -5.508 1.00 0.00 C ATOM 0 H LEU A 29 0.039 -1.339 -7.642 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.752 -0.923 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.506 0.206 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.169 0.372 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.031 -1.203 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.108 -3.160 -5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.715 -1.632 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.547 -2.613 -7.347 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.791 -3.324 -4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.140 -2.783 -6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.706 -1.915 -4.991 1.00 0.00 H new ATOM 451 N PRO A 30 -2.266 1.424 -9.294 1.00 0.00 N ATOM 452 CA PRO A 30 -1.924 2.684 -9.961 1.00 0.00 C ATOM 453 C PRO A 30 -1.650 3.810 -8.969 1.00 0.00 C ATOM 454 O PRO A 30 -2.399 4.000 -8.010 1.00 0.00 O ATOM 455 CB PRO A 30 -3.171 2.996 -10.793 1.00 0.00 C ATOM 456 CG PRO A 30 -4.282 2.301 -10.084 1.00 0.00 C ATOM 457 CD PRO A 30 -3.680 1.060 -9.486 1.00 0.00 C ATOM 0 HA PRO A 30 -1.012 2.597 -10.551 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.349 4.070 -10.852 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.066 2.634 -11.816 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.710 2.938 -9.311 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.088 2.050 -10.773 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.158 0.796 -8.543 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.787 0.202 -10.149 1.00 0.00 H new ATOM 465 N ASP A 31 -0.575 4.552 -9.206 1.00 0.00 N ATOM 466 CA ASP A 31 -0.203 5.660 -8.334 1.00 0.00 C ATOM 467 C ASP A 31 -1.375 6.620 -8.145 1.00 0.00 C ATOM 468 O ASP A 31 -1.465 7.313 -7.133 1.00 0.00 O ATOM 469 CB ASP A 31 0.998 6.410 -8.910 1.00 0.00 C ATOM 470 CG ASP A 31 0.650 7.184 -10.167 1.00 0.00 C ATOM 471 OD1 ASP A 31 -0.248 6.735 -10.910 1.00 0.00 O ATOM 472 OD2 ASP A 31 1.275 8.238 -10.407 1.00 0.00 O ATOM 0 H ASP A 31 0.055 4.407 -9.995 1.00 0.00 H new ATOM 0 HA ASP A 31 0.068 5.249 -7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.387 7.098 -8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.793 5.699 -9.133 1.00 0.00 H new ATOM 477 N SER A 32 -2.269 6.654 -9.128 1.00 0.00 N ATOM 478 CA SER A 32 -3.432 7.532 -9.073 1.00 0.00 C ATOM 479 C SER A 32 -4.375 7.114 -7.949 1.00 0.00 C ATOM 480 O SER A 32 -5.124 7.932 -7.416 1.00 0.00 O ATOM 481 CB SER A 32 -4.175 7.514 -10.410 1.00 0.00 C ATOM 482 OG SER A 32 -5.089 8.593 -10.500 1.00 0.00 O ATOM 0 H SER A 32 -2.210 6.084 -9.972 1.00 0.00 H new ATOM 0 HA SER A 32 -3.083 8.545 -8.873 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.458 7.571 -11.229 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.709 6.570 -10.520 1.00 0.00 H new ATOM 0 HG SER A 32 -5.550 8.560 -11.364 1.00 0.00 H new ATOM 488 N MET A 33 -4.332 5.833 -7.595 1.00 0.00 N ATOM 489 CA MET A 33 -5.182 5.306 -6.533 1.00 0.00 C ATOM 490 C MET A 33 -5.011 6.111 -5.249 1.00 0.00 C ATOM 491 O MET A 33 -3.900 6.507 -4.895 1.00 0.00 O ATOM 492 CB MET A 33 -4.855 3.834 -6.274 1.00 0.00 C ATOM 493 CG MET A 33 -5.958 3.087 -5.541 1.00 0.00 C ATOM 494 SD MET A 33 -5.472 1.415 -5.072 1.00 0.00 S ATOM 495 CE MET A 33 -6.913 0.486 -5.589 1.00 0.00 C ATOM 0 H MET A 33 -3.719 5.142 -8.027 1.00 0.00 H new ATOM 0 HA MET A 33 -6.220 5.389 -6.856 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.663 3.340 -7.226 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.936 3.771 -5.692 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.237 3.644 -4.647 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.843 3.039 -6.176 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.086 -0.334 -4.893 1.00 0.00 H new ATOM 0 HE2 MET A 33 -7.784 1.142 -5.601 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.748 0.084 -6.589 1.00 0.00 H new ATOM 505 N THR A 34 -6.119 6.351 -4.554 1.00 0.00 N ATOM 506 CA THR A 34 -6.091 7.110 -3.310 1.00 0.00 C ATOM 507 C THR A 34 -5.844 6.197 -2.114 1.00 0.00 C ATOM 508 O THR A 34 -6.467 5.143 -1.986 1.00 0.00 O ATOM 509 CB THR A 34 -7.408 7.878 -3.092 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.525 7.022 -3.358 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.476 9.103 -3.992 1.00 0.00 C ATOM 0 H THR A 34 -7.047 6.031 -4.832 1.00 0.00 H new ATOM 0 HA THR A 34 -5.272 7.824 -3.393 1.00 0.00 H new ATOM 0 HB THR A 34 -7.443 8.207 -2.053 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.358 7.518 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.415 9.629 -3.820 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.641 9.767 -3.766 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.420 8.792 -5.035 1.00 0.00 H new ATOM 519 N VAL A 35 -4.932 6.609 -1.240 1.00 0.00 N ATOM 520 CA VAL A 35 -4.604 5.829 -0.053 1.00 0.00 C ATOM 521 C VAL A 35 -5.839 5.126 0.502 1.00 0.00 C ATOM 522 O VAL A 35 -5.789 3.947 0.848 1.00 0.00 O ATOM 523 CB VAL A 35 -3.993 6.715 1.050 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.940 5.963 2.371 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.607 7.191 0.642 1.00 0.00 C ATOM 0 H VAL A 35 -4.407 7.479 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.870 5.083 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.629 7.590 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.506 6.605 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.949 5.676 2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.327 5.069 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.190 7.815 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.959 6.329 0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.678 7.770 -0.279 1.00 0.00 H new ATOM 535 N GLN A 36 -6.944 5.860 0.581 1.00 0.00 N ATOM 536 CA GLN A 36 -8.192 5.306 1.094 1.00 0.00 C ATOM 537 C GLN A 36 -8.579 4.042 0.334 1.00 0.00 C ATOM 538 O GLN A 36 -8.857 3.004 0.935 1.00 0.00 O ATOM 539 CB GLN A 36 -9.314 6.341 0.991 1.00 0.00 C ATOM 540 CG GLN A 36 -10.382 6.188 2.061 1.00 0.00 C ATOM 541 CD GLN A 36 -11.424 7.288 2.007 1.00 0.00 C ATOM 542 OE1 GLN A 36 -11.092 8.472 1.941 1.00 0.00 O ATOM 543 NE2 GLN A 36 -12.695 6.902 2.034 1.00 0.00 N ATOM 0 H GLN A 36 -7.001 6.838 0.297 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.042 5.046 2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.883 7.340 1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.781 6.262 0.009 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.873 5.222 1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.909 6.188 3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.926 5.910 2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.440 7.598 2.000 1.00 0.00 H new ATOM 552 N LYS A 37 -8.596 4.136 -0.991 1.00 0.00 N ATOM 553 CA LYS A 37 -8.948 3.000 -1.835 1.00 0.00 C ATOM 554 C LYS A 37 -8.169 1.754 -1.423 1.00 0.00 C ATOM 555 O LYS A 37 -8.754 0.703 -1.161 1.00 0.00 O ATOM 556 CB LYS A 37 -8.671 3.325 -3.305 1.00 0.00 C ATOM 557 CG LYS A 37 -9.756 4.165 -3.956 1.00 0.00 C ATOM 558 CD LYS A 37 -10.832 3.296 -4.585 1.00 0.00 C ATOM 559 CE LYS A 37 -10.496 2.948 -6.027 1.00 0.00 C ATOM 560 NZ LYS A 37 -10.875 4.042 -6.964 1.00 0.00 N ATOM 0 H LYS A 37 -8.370 4.988 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.012 2.801 -1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.720 3.853 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.562 2.393 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.206 4.821 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.313 4.806 -4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.946 2.380 -4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.789 3.817 -4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.428 2.750 -6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.014 2.032 -6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.630 3.767 -7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.899 4.214 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.361 4.910 -6.710 1.00 0.00 H new ATOM 574 N VAL A 38 -6.847 1.880 -1.367 1.00 0.00 N ATOM 575 CA VAL A 38 -5.989 0.765 -0.984 1.00 0.00 C ATOM 576 C VAL A 38 -6.413 0.181 0.358 1.00 0.00 C ATOM 577 O VAL A 38 -6.610 -1.028 0.488 1.00 0.00 O ATOM 578 CB VAL A 38 -4.513 1.196 -0.901 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.638 0.027 -0.475 1.00 0.00 C ATOM 580 CG2 VAL A 38 -4.048 1.764 -2.234 1.00 0.00 C ATOM 0 H VAL A 38 -6.347 2.743 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.095 0.004 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.423 1.979 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.599 0.351 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.958 -0.329 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.730 -0.780 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.003 2.063 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.152 1.005 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.656 2.631 -2.492 1.00 0.00 H new ATOM 590 N LYS A 39 -6.553 1.046 1.357 1.00 0.00 N ATOM 591 CA LYS A 39 -6.955 0.618 2.691 1.00 0.00 C ATOM 592 C LYS A 39 -8.278 -0.140 2.643 1.00 0.00 C ATOM 593 O LYS A 39 -8.465 -1.128 3.352 1.00 0.00 O ATOM 594 CB LYS A 39 -7.082 1.827 3.621 1.00 0.00 C ATOM 595 CG LYS A 39 -5.756 2.504 3.922 1.00 0.00 C ATOM 596 CD LYS A 39 -5.945 3.740 4.785 1.00 0.00 C ATOM 597 CE LYS A 39 -4.610 4.306 5.247 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.787 5.474 6.153 1.00 0.00 N ATOM 0 H LYS A 39 -6.394 2.049 1.267 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.186 -0.051 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.757 2.554 3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.539 1.508 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.095 1.802 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.268 2.782 2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.488 4.499 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.555 3.490 5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.045 3.529 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.022 4.605 4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.889 5.993 6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.520 6.104 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.076 5.142 7.095 1.00 0.00 H new ATOM 612 N GLY A 40 -9.194 0.328 1.800 1.00 0.00 N ATOM 613 CA GLY A 40 -10.486 -0.319 1.674 1.00 0.00 C ATOM 614 C GLY A 40 -10.381 -1.718 1.100 1.00 0.00 C ATOM 615 O GLY A 40 -11.120 -2.618 1.501 1.00 0.00 O ATOM 0 H GLY A 40 -9.064 1.144 1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.962 -0.366 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.130 0.285 1.035 1.00 0.00 H new ATOM 619 N LEU A 41 -9.463 -1.901 0.158 1.00 0.00 N ATOM 620 CA LEU A 41 -9.265 -3.201 -0.474 1.00 0.00 C ATOM 621 C LEU A 41 -8.928 -4.266 0.565 1.00 0.00 C ATOM 622 O LEU A 41 -9.551 -5.327 0.607 1.00 0.00 O ATOM 623 CB LEU A 41 -8.148 -3.118 -1.516 1.00 0.00 C ATOM 624 CG LEU A 41 -7.655 -4.452 -2.080 1.00 0.00 C ATOM 625 CD1 LEU A 41 -8.519 -4.887 -3.253 1.00 0.00 C ATOM 626 CD2 LEU A 41 -6.196 -4.347 -2.498 1.00 0.00 C ATOM 0 H LEU A 41 -8.844 -1.166 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.195 -3.483 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.497 -2.503 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.300 -2.600 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.734 -5.207 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.153 -5.838 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.551 -5.003 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.473 -4.133 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.862 -5.305 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.091 -3.579 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.588 -4.082 -1.633 1.00 0.00 H new ATOM 638 N LEU A 42 -7.939 -3.975 1.403 1.00 0.00 N ATOM 639 CA LEU A 42 -7.520 -4.907 2.445 1.00 0.00 C ATOM 640 C LEU A 42 -8.483 -4.870 3.628 1.00 0.00 C ATOM 641 O LEU A 42 -8.658 -5.866 4.330 1.00 0.00 O ATOM 642 CB LEU A 42 -6.104 -4.573 2.915 1.00 0.00 C ATOM 643 CG LEU A 42 -5.033 -4.507 1.826 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.912 -3.565 2.236 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.484 -5.896 1.532 1.00 0.00 C ATOM 0 H LEU A 42 -7.412 -3.102 1.382 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.529 -5.912 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.131 -3.612 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.801 -5.319 3.650 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.491 -4.119 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.159 -3.531 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.317 -2.565 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.456 -3.922 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.723 -5.829 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.042 -6.312 2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.293 -6.543 1.193 1.00 0.00 H new ATOM 657 N SER A 43 -9.107 -3.716 3.841 1.00 0.00 N ATOM 658 CA SER A 43 -10.051 -3.549 4.939 1.00 0.00 C ATOM 659 C SER A 43 -11.032 -4.716 4.995 1.00 0.00 C ATOM 660 O SER A 43 -11.531 -5.071 6.063 1.00 0.00 O ATOM 661 CB SER A 43 -10.815 -2.232 4.787 1.00 0.00 C ATOM 662 OG SER A 43 -12.027 -2.258 5.522 1.00 0.00 O ATOM 0 H SER A 43 -8.976 -2.883 3.267 1.00 0.00 H new ATOM 0 HA SER A 43 -9.486 -3.528 5.871 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.194 -1.406 5.133 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.029 -2.051 3.734 1.00 0.00 H new ATOM 0 HG SER A 43 -11.829 -2.230 6.481 1.00 0.00 H new ATOM 668 N ARG A 44 -11.304 -5.308 3.836 1.00 0.00 N ATOM 669 CA ARG A 44 -12.226 -6.434 3.752 1.00 0.00 C ATOM 670 C ARG A 44 -11.484 -7.757 3.917 1.00 0.00 C ATOM 671 O ARG A 44 -12.067 -8.760 4.331 1.00 0.00 O ATOM 672 CB ARG A 44 -12.965 -6.415 2.413 1.00 0.00 C ATOM 673 CG ARG A 44 -13.959 -5.273 2.282 1.00 0.00 C ATOM 674 CD ARG A 44 -15.290 -5.615 2.933 1.00 0.00 C ATOM 675 NE ARG A 44 -16.270 -4.544 2.770 1.00 0.00 N ATOM 676 CZ ARG A 44 -17.546 -4.655 3.122 1.00 0.00 C ATOM 677 NH1 ARG A 44 -17.994 -5.784 3.655 1.00 0.00 N ATOM 678 NH2 ARG A 44 -18.377 -3.636 2.943 1.00 0.00 N ATOM 0 H ARG A 44 -10.899 -5.026 2.943 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.951 -6.340 4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.236 -6.345 1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.492 -7.361 2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.547 -4.376 2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.116 -5.045 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.681 -6.534 2.497 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.136 -5.807 3.995 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.957 -3.662 2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.358 -6.569 3.795 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.974 -5.867 3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.036 -2.766 2.534 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.357 -3.723 3.214 1.00 0.00 H new ATOM 692 N LEU A 45 -10.197 -7.752 3.591 1.00 0.00 N ATOM 693 CA LEU A 45 -9.374 -8.952 3.702 1.00 0.00 C ATOM 694 C LEU A 45 -9.136 -9.315 5.164 1.00 0.00 C ATOM 695 O LEU A 45 -9.476 -10.414 5.606 1.00 0.00 O ATOM 696 CB LEU A 45 -8.036 -8.745 2.992 1.00 0.00 C ATOM 697 CG LEU A 45 -7.995 -9.128 1.512 1.00 0.00 C ATOM 698 CD1 LEU A 45 -8.967 -8.275 0.713 1.00 0.00 C ATOM 699 CD2 LEU A 45 -6.583 -8.987 0.963 1.00 0.00 C ATOM 0 H LEU A 45 -9.700 -6.930 3.247 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.908 -9.774 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.758 -7.695 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.275 -9.323 3.517 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.297 -10.171 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.924 -8.562 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.979 -8.427 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.696 -7.224 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.573 -9.264 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.252 -7.954 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.910 -9.642 1.516 1.00 0.00 H new ATOM 711 N LEU A 46 -8.552 -8.385 5.912 1.00 0.00 N ATOM 712 CA LEU A 46 -8.270 -8.606 7.326 1.00 0.00 C ATOM 713 C LEU A 46 -9.425 -8.116 8.194 1.00 0.00 C ATOM 714 O LEU A 46 -9.363 -8.178 9.422 1.00 0.00 O ATOM 715 CB LEU A 46 -6.978 -7.892 7.726 1.00 0.00 C ATOM 716 CG LEU A 46 -5.706 -8.358 7.016 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.684 -7.234 6.961 1.00 0.00 C ATOM 718 CD2 LEU A 46 -5.123 -9.578 7.714 1.00 0.00 C ATOM 0 H LEU A 46 -8.265 -7.471 5.563 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.150 -9.678 7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.104 -6.825 7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.836 -8.014 8.800 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.964 -8.637 5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.786 -7.584 6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.103 -6.388 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.430 -6.924 7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.218 -9.896 7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.880 -9.325 8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.852 -10.388 7.701 1.00 0.00 H new ATOM 730 N LYS A 47 -10.480 -7.631 7.548 1.00 0.00 N ATOM 731 CA LYS A 47 -11.651 -7.134 8.259 1.00 0.00 C ATOM 732 C LYS A 47 -11.269 -6.013 9.220 1.00 0.00 C ATOM 733 O LYS A 47 -11.684 -6.006 10.379 1.00 0.00 O ATOM 734 CB LYS A 47 -12.327 -8.271 9.028 1.00 0.00 C ATOM 735 CG LYS A 47 -12.598 -9.502 8.181 1.00 0.00 C ATOM 736 CD LYS A 47 -11.420 -10.462 8.199 1.00 0.00 C ATOM 737 CE LYS A 47 -11.858 -11.887 7.901 1.00 0.00 C ATOM 738 NZ LYS A 47 -12.663 -12.464 9.013 1.00 0.00 N ATOM 0 H LYS A 47 -10.548 -7.572 6.532 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.350 -6.736 7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.697 -8.552 9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.269 -7.910 9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.488 -10.010 8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.807 -9.200 7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.681 -10.146 7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.935 -10.426 9.174 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.444 -11.902 6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.979 -12.508 7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.628 -13.502 8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.274 -12.147 9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.650 -12.146 8.929 1.00 0.00 H new ATOM 752 N VAL A 48 -10.476 -5.065 8.731 1.00 0.00 N ATOM 753 CA VAL A 48 -10.040 -3.937 9.547 1.00 0.00 C ATOM 754 C VAL A 48 -10.581 -2.621 8.999 1.00 0.00 C ATOM 755 O VAL A 48 -10.611 -2.388 7.791 1.00 0.00 O ATOM 756 CB VAL A 48 -8.503 -3.857 9.618 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.068 -2.627 10.400 1.00 0.00 C ATOM 758 CG2 VAL A 48 -7.932 -5.123 10.239 1.00 0.00 C ATOM 0 H VAL A 48 -10.122 -5.055 7.774 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.435 -4.100 10.550 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.114 -3.770 8.604 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.979 -2.587 10.440 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.446 -1.731 9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.466 -2.680 11.413 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.845 -5.049 10.281 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.327 -5.244 11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.214 -5.984 9.634 1.00 0.00 H new ATOM 768 N PRO A 49 -11.020 -1.738 9.908 1.00 0.00 N ATOM 769 CA PRO A 49 -11.568 -0.430 9.540 1.00 0.00 C ATOM 770 C PRO A 49 -10.501 0.514 8.996 1.00 0.00 C ATOM 771 O PRO A 49 -9.485 0.760 9.647 1.00 0.00 O ATOM 772 CB PRO A 49 -12.130 0.104 10.861 1.00 0.00 C ATOM 773 CG PRO A 49 -11.338 -0.588 11.916 1.00 0.00 C ATOM 774 CD PRO A 49 -11.015 -1.950 11.366 1.00 0.00 C ATOM 0 HA PRO A 49 -12.310 -0.509 8.745 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.020 1.186 10.929 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.193 -0.115 10.956 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.428 -0.034 12.147 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.907 -0.666 12.843 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.046 -2.306 11.717 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.755 -2.691 11.667 1.00 0.00 H new ATOM 782 N VAL A 50 -10.737 1.039 7.798 1.00 0.00 N ATOM 783 CA VAL A 50 -9.796 1.957 7.167 1.00 0.00 C ATOM 784 C VAL A 50 -9.388 3.070 8.125 1.00 0.00 C ATOM 785 O VAL A 50 -8.290 3.618 8.025 1.00 0.00 O ATOM 786 CB VAL A 50 -10.393 2.584 5.893 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.595 3.811 5.477 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.440 1.562 4.768 1.00 0.00 C ATOM 0 H VAL A 50 -11.572 0.844 7.245 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.916 1.373 6.898 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.414 2.900 6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.032 4.240 4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.619 4.549 6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.562 3.523 5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.865 2.022 3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.430 1.213 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.059 0.717 5.070 1.00 0.00 H new ATOM 798 N SER A 51 -10.279 3.400 9.054 1.00 0.00 N ATOM 799 CA SER A 51 -10.013 4.451 10.030 1.00 0.00 C ATOM 800 C SER A 51 -8.816 4.091 10.904 1.00 0.00 C ATOM 801 O SER A 51 -8.041 4.960 11.301 1.00 0.00 O ATOM 802 CB SER A 51 -11.245 4.688 10.905 1.00 0.00 C ATOM 803 OG SER A 51 -12.160 5.566 10.272 1.00 0.00 O ATOM 0 H SER A 51 -11.192 2.955 9.152 1.00 0.00 H new ATOM 0 HA SER A 51 -9.781 5.367 9.486 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.735 3.737 11.114 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.939 5.107 11.864 1.00 0.00 H new ATOM 0 HG SER A 51 -12.939 5.700 10.851 1.00 0.00 H new ATOM 809 N GLU A 52 -8.673 2.803 11.198 1.00 0.00 N ATOM 810 CA GLU A 52 -7.571 2.327 12.026 1.00 0.00 C ATOM 811 C GLU A 52 -6.391 1.889 11.163 1.00 0.00 C ATOM 812 O GLU A 52 -5.236 2.186 11.472 1.00 0.00 O ATOM 813 CB GLU A 52 -8.031 1.164 12.908 1.00 0.00 C ATOM 814 CG GLU A 52 -9.130 1.540 13.887 1.00 0.00 C ATOM 815 CD GLU A 52 -8.660 2.524 14.941 1.00 0.00 C ATOM 816 OE1 GLU A 52 -7.500 2.405 15.388 1.00 0.00 O ATOM 817 OE2 GLU A 52 -9.452 3.412 15.320 1.00 0.00 O ATOM 0 H GLU A 52 -9.306 2.071 10.876 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.247 3.151 12.663 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.385 0.354 12.271 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.176 0.781 13.465 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.967 1.972 13.339 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.500 0.639 14.376 1.00 0.00 H new ATOM 824 N LEU A 53 -6.690 1.180 10.079 1.00 0.00 N ATOM 825 CA LEU A 53 -5.655 0.700 9.170 1.00 0.00 C ATOM 826 C LEU A 53 -4.563 1.748 8.986 1.00 0.00 C ATOM 827 O LEU A 53 -4.785 2.789 8.366 1.00 0.00 O ATOM 828 CB LEU A 53 -6.267 0.340 7.815 1.00 0.00 C ATOM 829 CG LEU A 53 -6.795 -1.088 7.675 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.572 -1.244 6.377 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.651 -2.089 7.737 1.00 0.00 C ATOM 0 H LEU A 53 -7.640 0.925 9.809 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.206 -0.192 9.608 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.086 1.030 7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.515 0.505 7.044 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.471 -1.288 8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.940 -2.267 6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.415 -0.553 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.918 -1.024 5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.046 -3.100 7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.950 -1.891 6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.136 -1.995 8.693 1.00 0.00 H new ATOM 843 N LEU A 54 -3.382 1.466 9.526 1.00 0.00 N ATOM 844 CA LEU A 54 -2.253 2.384 9.419 1.00 0.00 C ATOM 845 C LEU A 54 -1.268 1.913 8.354 1.00 0.00 C ATOM 846 O LEU A 54 -0.486 0.988 8.581 1.00 0.00 O ATOM 847 CB LEU A 54 -1.543 2.509 10.768 1.00 0.00 C ATOM 848 CG LEU A 54 -2.429 2.863 11.963 1.00 0.00 C ATOM 849 CD1 LEU A 54 -1.591 3.012 13.223 1.00 0.00 C ATOM 850 CD2 LEU A 54 -3.211 4.139 11.687 1.00 0.00 C ATOM 0 H LEU A 54 -3.181 0.609 10.042 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.637 3.361 9.126 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.041 1.565 10.981 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.767 3.269 10.679 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.139 2.051 12.118 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.238 3.264 14.063 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.076 2.074 13.430 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.857 3.805 13.080 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.836 4.376 12.548 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.517 4.959 11.506 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.841 3.997 10.809 1.00 0.00 H new ATOM 862 N LEU A 55 -1.308 2.556 7.193 1.00 0.00 N ATOM 863 CA LEU A 55 -0.417 2.205 6.092 1.00 0.00 C ATOM 864 C LEU A 55 0.826 3.090 6.095 1.00 0.00 C ATOM 865 O LEU A 55 0.728 4.314 6.189 1.00 0.00 O ATOM 866 CB LEU A 55 -1.148 2.338 4.755 1.00 0.00 C ATOM 867 CG LEU A 55 -1.764 1.054 4.198 1.00 0.00 C ATOM 868 CD1 LEU A 55 -2.800 0.496 5.161 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.386 1.310 2.833 1.00 0.00 C ATOM 0 H LEU A 55 -1.948 3.324 6.989 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.104 1.169 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.940 3.078 4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.448 2.731 4.018 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.971 0.315 4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.227 -0.417 4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.326 0.274 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.591 1.231 5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.820 0.386 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.166 2.066 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.619 1.662 2.144 1.00 0.00 H new ATOM 881 N SER A 56 1.993 2.463 5.988 1.00 0.00 N ATOM 882 CA SER A 56 3.255 3.193 5.979 1.00 0.00 C ATOM 883 C SER A 56 4.247 2.552 5.013 1.00 0.00 C ATOM 884 O SER A 56 4.609 1.385 5.162 1.00 0.00 O ATOM 885 CB SER A 56 3.852 3.238 7.387 1.00 0.00 C ATOM 886 OG SER A 56 3.608 2.028 8.083 1.00 0.00 O ATOM 0 H SER A 56 2.091 1.451 5.906 1.00 0.00 H new ATOM 0 HA SER A 56 3.055 4.211 5.644 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.926 3.415 7.325 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.423 4.073 7.941 1.00 0.00 H new ATOM 0 HG SER A 56 4.001 2.081 8.979 1.00 0.00 H new ATOM 892 N TYR A 57 4.681 3.323 4.023 1.00 0.00 N ATOM 893 CA TYR A 57 5.630 2.831 3.030 1.00 0.00 C ATOM 894 C TYR A 57 7.059 3.208 3.409 1.00 0.00 C ATOM 895 O TYR A 57 7.312 4.305 3.906 1.00 0.00 O ATOM 896 CB TYR A 57 5.291 3.393 1.649 1.00 0.00 C ATOM 897 CG TYR A 57 5.960 4.716 1.352 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.505 5.892 1.934 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.046 4.790 0.489 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.113 7.104 1.666 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.660 5.996 0.215 1.00 0.00 C ATOM 902 CZ TYR A 57 7.190 7.150 0.806 1.00 0.00 C ATOM 903 OH TYR A 57 7.799 8.355 0.536 1.00 0.00 O ATOM 0 H TYR A 57 4.391 4.291 3.886 1.00 0.00 H new ATOM 0 HA TYR A 57 5.556 1.744 3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.584 2.669 0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.211 3.516 1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.662 5.859 2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.417 3.888 0.024 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.747 8.009 2.127 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.504 6.035 -0.458 1.00 0.00 H new ATOM 0 HH TYR A 57 7.171 8.941 0.064 1.00 0.00 H new ATOM 913 N GLU A 58 7.989 2.290 3.168 1.00 0.00 N ATOM 914 CA GLU A 58 9.393 2.525 3.483 1.00 0.00 C ATOM 915 C GLU A 58 10.157 2.995 2.248 1.00 0.00 C ATOM 916 O GLU A 58 10.234 2.285 1.246 1.00 0.00 O ATOM 917 CB GLU A 58 10.035 1.252 4.039 1.00 0.00 C ATOM 918 CG GLU A 58 11.284 1.510 4.864 1.00 0.00 C ATOM 919 CD GLU A 58 12.050 0.239 5.176 1.00 0.00 C ATOM 920 OE1 GLU A 58 11.628 -0.500 6.089 1.00 0.00 O ATOM 921 OE2 GLU A 58 13.073 -0.016 4.506 1.00 0.00 O ATOM 0 H GLU A 58 7.796 1.377 2.756 1.00 0.00 H new ATOM 0 HA GLU A 58 9.442 3.308 4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.305 0.726 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.288 0.591 3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.935 2.199 4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.004 1.999 5.797 1.00 0.00 H new ATOM 928 N SER A 59 10.719 4.197 2.329 1.00 0.00 N ATOM 929 CA SER A 59 11.472 4.765 1.217 1.00 0.00 C ATOM 930 C SER A 59 12.895 4.214 1.188 1.00 0.00 C ATOM 931 O SER A 59 13.611 4.262 2.188 1.00 0.00 O ATOM 932 CB SER A 59 11.506 6.291 1.323 1.00 0.00 C ATOM 933 OG SER A 59 10.217 6.844 1.122 1.00 0.00 O ATOM 0 H SER A 59 10.667 4.796 3.153 1.00 0.00 H new ATOM 0 HA SER A 59 10.972 4.484 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.881 6.582 2.304 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.198 6.695 0.584 1.00 0.00 H new ATOM 0 HG SER A 59 9.575 6.124 0.949 1.00 0.00 H new ATOM 939 N SER A 60 13.297 3.692 0.034 1.00 0.00 N ATOM 940 CA SER A 60 14.633 3.129 -0.126 1.00 0.00 C ATOM 941 C SER A 60 15.700 4.132 0.301 1.00 0.00 C ATOM 942 O SER A 60 16.483 3.873 1.215 1.00 0.00 O ATOM 943 CB SER A 60 14.862 2.710 -1.579 1.00 0.00 C ATOM 944 OG SER A 60 16.167 2.189 -1.760 1.00 0.00 O ATOM 0 H SER A 60 12.717 3.647 -0.804 1.00 0.00 H new ATOM 0 HA SER A 60 14.709 2.250 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.125 1.960 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.715 3.568 -2.236 1.00 0.00 H new ATOM 0 HG SER A 60 16.288 1.927 -2.697 1.00 0.00 H new ATOM 950 N LYS A 61 15.726 5.280 -0.368 1.00 0.00 N ATOM 951 CA LYS A 61 16.695 6.324 -0.060 1.00 0.00 C ATOM 952 C LYS A 61 16.865 6.481 1.448 1.00 0.00 C ATOM 953 O LYS A 61 17.981 6.638 1.943 1.00 0.00 O ATOM 954 CB LYS A 61 16.255 7.655 -0.674 1.00 0.00 C ATOM 955 CG LYS A 61 16.073 7.598 -2.181 1.00 0.00 C ATOM 956 CD LYS A 61 15.058 8.622 -2.660 1.00 0.00 C ATOM 957 CE LYS A 61 14.434 8.211 -3.985 1.00 0.00 C ATOM 958 NZ LYS A 61 13.552 7.020 -3.837 1.00 0.00 N ATOM 0 H LYS A 61 15.086 5.511 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 61 17.654 6.032 -0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.317 7.965 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.995 8.419 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.030 7.777 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.748 6.599 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.276 8.740 -1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.543 9.592 -2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.856 9.043 -4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.222 7.992 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.886 6.980 -4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.132 6.157 -3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.021 7.090 -2.945 1.00 0.00 H new ATOM 972 N MET A 62 15.752 6.435 2.173 1.00 0.00 N ATOM 973 CA MET A 62 15.780 6.569 3.625 1.00 0.00 C ATOM 974 C MET A 62 15.259 5.303 4.297 1.00 0.00 C ATOM 975 O MET A 62 14.085 5.196 4.650 1.00 0.00 O ATOM 976 CB MET A 62 14.944 7.773 4.063 1.00 0.00 C ATOM 977 CG MET A 62 15.738 9.067 4.142 1.00 0.00 C ATOM 978 SD MET A 62 17.132 8.959 5.280 1.00 0.00 S ATOM 979 CE MET A 62 18.384 9.859 4.369 1.00 0.00 C ATOM 0 H MET A 62 14.820 6.306 1.779 1.00 0.00 H new ATOM 0 HA MET A 62 16.815 6.723 3.931 1.00 0.00 H new ATOM 0 HB2 MET A 62 14.118 7.905 3.364 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.506 7.565 5.039 1.00 0.00 H new ATOM 0 HG2 MET A 62 16.104 9.325 3.148 1.00 0.00 H new ATOM 0 HG3 MET A 62 15.078 9.875 4.458 1.00 0.00 H new ATOM 0 HE1 MET A 62 19.309 9.880 4.945 1.00 0.00 H new ATOM 0 HE2 MET A 62 18.563 9.367 3.413 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.043 10.879 4.193 1.00 0.00 H new ATOM 989 N PRO A 63 16.153 4.319 4.480 1.00 0.00 N ATOM 990 CA PRO A 63 15.806 3.042 5.111 1.00 0.00 C ATOM 991 C PRO A 63 15.520 3.192 6.602 1.00 0.00 C ATOM 992 O PRO A 63 16.253 3.871 7.319 1.00 0.00 O ATOM 993 CB PRO A 63 17.056 2.186 4.890 1.00 0.00 C ATOM 994 CG PRO A 63 18.167 3.168 4.749 1.00 0.00 C ATOM 995 CD PRO A 63 17.570 4.377 4.084 1.00 0.00 C ATOM 0 HA PRO A 63 14.898 2.612 4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.228 1.512 5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.959 1.567 3.998 1.00 0.00 H new ATOM 0 HG2 PRO A 63 18.586 3.425 5.722 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.979 2.755 4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.045 5.298 4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.687 4.339 3.001 1.00 0.00 H new ATOM 1003 N GLY A 64 14.449 2.552 7.061 1.00 0.00 N ATOM 1004 CA GLY A 64 14.085 2.626 8.464 1.00 0.00 C ATOM 1005 C GLY A 64 13.143 3.777 8.759 1.00 0.00 C ATOM 1006 O GLY A 64 12.511 3.815 9.815 1.00 0.00 O ATOM 0 H GLY A 64 13.827 1.984 6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.615 1.690 8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.988 2.736 9.065 1.00 0.00 H new ATOM 1010 N ARG A 65 13.049 4.717 7.824 1.00 0.00 N ATOM 1011 CA ARG A 65 12.179 5.875 7.990 1.00 0.00 C ATOM 1012 C ARG A 65 10.857 5.671 7.257 1.00 0.00 C ATOM 1013 O ARG A 65 10.713 6.059 6.098 1.00 0.00 O ATOM 1014 CB ARG A 65 12.872 7.138 7.474 1.00 0.00 C ATOM 1015 CG ARG A 65 12.158 8.424 7.857 1.00 0.00 C ATOM 1016 CD ARG A 65 12.966 9.649 7.460 1.00 0.00 C ATOM 1017 NE ARG A 65 13.940 10.018 8.484 1.00 0.00 N ATOM 1018 CZ ARG A 65 13.608 10.537 9.661 1.00 0.00 C ATOM 1019 NH1 ARG A 65 12.334 10.748 9.960 1.00 0.00 N ATOM 1020 NH2 ARG A 65 14.552 10.847 10.540 1.00 0.00 N ATOM 0 H ARG A 65 13.564 4.699 6.944 1.00 0.00 H new ATOM 0 HA ARG A 65 11.970 5.992 9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.890 7.168 7.862 1.00 0.00 H new ATOM 0 HB3 ARG A 65 12.947 7.083 6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.182 8.458 7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.981 8.437 8.932 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.484 9.453 6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.291 10.487 7.283 1.00 0.00 H new ATOM 0 HE ARG A 65 14.929 9.869 8.285 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.606 10.512 9.286 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.082 11.147 10.864 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.533 10.687 10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.297 11.245 11.444 1.00 0.00 H new ATOM 1034 N GLU A 66 9.895 5.060 7.941 1.00 0.00 N ATOM 1035 CA GLU A 66 8.585 4.804 7.354 1.00 0.00 C ATOM 1036 C GLU A 66 7.731 6.068 7.356 1.00 0.00 C ATOM 1037 O GLU A 66 7.875 6.925 8.228 1.00 0.00 O ATOM 1038 CB GLU A 66 7.868 3.689 8.118 1.00 0.00 C ATOM 1039 CG GLU A 66 8.734 2.465 8.364 1.00 0.00 C ATOM 1040 CD GLU A 66 8.320 1.697 9.604 1.00 0.00 C ATOM 1041 OE1 GLU A 66 7.297 0.984 9.546 1.00 0.00 O ATOM 1042 OE2 GLU A 66 9.020 1.809 10.632 1.00 0.00 O ATOM 0 H GLU A 66 9.998 4.733 8.902 1.00 0.00 H new ATOM 0 HA GLU A 66 8.734 4.489 6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.525 4.079 9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.981 3.390 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.679 1.806 7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.774 2.775 8.463 1.00 0.00 H new ATOM 1049 N ILE A 67 6.841 6.176 6.375 1.00 0.00 N ATOM 1050 CA ILE A 67 5.964 7.335 6.265 1.00 0.00 C ATOM 1051 C ILE A 67 4.503 6.938 6.456 1.00 0.00 C ATOM 1052 O ILE A 67 3.872 6.404 5.545 1.00 0.00 O ATOM 1053 CB ILE A 67 6.120 8.032 4.900 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.461 8.766 4.830 1.00 0.00 C ATOM 1055 CG2 ILE A 67 4.968 8.996 4.663 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.610 7.887 4.389 1.00 0.00 C ATOM 0 H ILE A 67 6.708 5.475 5.646 1.00 0.00 H new ATOM 0 HA ILE A 67 6.257 8.028 7.053 1.00 0.00 H new ATOM 0 HB ILE A 67 6.100 7.275 4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.371 9.605 4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.689 9.183 5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.092 9.481 3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.026 8.448 4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.959 9.752 5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.528 8.474 4.362 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.727 7.062 5.091 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.404 7.491 3.395 1.00 0.00 H new ATOM 1068 N GLU A 68 3.974 7.206 7.645 1.00 0.00 N ATOM 1069 CA GLU A 68 2.587 6.878 7.955 1.00 0.00 C ATOM 1070 C GLU A 68 1.629 7.703 7.100 1.00 0.00 C ATOM 1071 O GLU A 68 1.500 8.914 7.285 1.00 0.00 O ATOM 1072 CB GLU A 68 2.301 7.120 9.438 1.00 0.00 C ATOM 1073 CG GLU A 68 2.612 8.535 9.895 1.00 0.00 C ATOM 1074 CD GLU A 68 2.845 8.627 11.391 1.00 0.00 C ATOM 1075 OE1 GLU A 68 2.206 7.859 12.140 1.00 0.00 O ATOM 1076 OE2 GLU A 68 3.668 9.467 11.812 1.00 0.00 O ATOM 0 H GLU A 68 4.484 7.649 8.409 1.00 0.00 H new ATOM 0 HA GLU A 68 2.431 5.823 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.251 6.906 9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.887 6.418 10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.497 8.896 9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.787 9.192 9.618 1.00 0.00 H new ATOM 1083 N LEU A 69 0.960 7.040 6.164 1.00 0.00 N ATOM 1084 CA LEU A 69 0.014 7.711 5.279 1.00 0.00 C ATOM 1085 C LEU A 69 -1.280 8.041 6.016 1.00 0.00 C ATOM 1086 O LEU A 69 -2.032 7.147 6.401 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.289 6.833 4.064 1.00 0.00 C ATOM 1088 CG LEU A 69 0.917 6.163 3.403 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.463 5.066 2.452 1.00 0.00 C ATOM 1090 CD2 LEU A 69 1.763 7.192 2.668 1.00 0.00 C ATOM 0 H LEU A 69 1.055 6.038 5.998 1.00 0.00 H new ATOM 0 HA LEU A 69 0.468 8.643 4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.990 6.056 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.795 7.444 3.316 1.00 0.00 H new ATOM 0 HG LEU A 69 1.529 5.710 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.334 4.601 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.100 4.314 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.171 5.496 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.616 6.697 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.161 7.675 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.119 7.942 3.374 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.533 9.332 6.207 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.737 9.780 6.897 1.00 0.00 C ATOM 1104 C GLU A 70 -3.799 10.233 5.899 1.00 0.00 C ATOM 1105 O GLU A 70 -4.953 9.814 5.972 1.00 0.00 O ATOM 1106 CB GLU A 70 -2.405 10.923 7.859 1.00 0.00 C ATOM 1107 CG GLU A 70 -1.948 12.193 7.161 1.00 0.00 C ATOM 1108 CD GLU A 70 -1.416 13.232 8.129 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -2.025 13.405 9.206 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -0.393 13.872 7.811 1.00 0.00 O ATOM 0 H GLU A 70 -0.921 10.085 5.894 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.133 8.939 7.466 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.285 11.146 8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.624 10.594 8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.172 11.946 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.783 12.616 6.602 1.00 0.00 H new ATOM 1117 N ASN A 71 -3.399 11.093 4.967 1.00 0.00 N ATOM 1118 CA ASN A 71 -4.316 11.604 3.955 1.00 0.00 C ATOM 1119 C ASN A 71 -4.869 10.469 3.099 1.00 0.00 C ATOM 1120 O ASN A 71 -4.133 9.830 2.346 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.608 12.629 3.067 1.00 0.00 C ATOM 1122 CG ASN A 71 -4.560 13.674 2.519 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -5.587 13.344 1.926 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -4.222 14.944 2.714 1.00 0.00 N ATOM 0 H ASN A 71 -2.446 11.450 4.892 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.148 12.088 4.466 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.823 13.122 3.640 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.122 12.114 2.238 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.823 15.691 2.367 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.361 15.172 3.211 1.00 0.00 H new ATOM 1131 N ASP A 72 -6.169 10.223 3.219 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.821 9.166 2.455 1.00 0.00 C ATOM 1133 C ASP A 72 -7.331 9.697 1.119 1.00 0.00 C ATOM 1134 O ASP A 72 -7.647 8.926 0.212 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.980 8.570 3.256 1.00 0.00 C ATOM 1136 CG ASP A 72 -7.739 8.626 4.752 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -6.989 7.769 5.265 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -8.300 9.528 5.409 1.00 0.00 O ATOM 0 H ASP A 72 -6.792 10.741 3.838 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.085 8.386 2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.897 9.109 3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.132 7.534 2.954 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.410 11.018 1.004 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.882 11.653 -0.221 1.00 0.00 C ATOM 1145 C LEU A 73 -6.713 12.029 -1.126 1.00 0.00 C ATOM 1146 O LEU A 73 -6.868 12.812 -2.062 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.705 12.899 0.111 1.00 0.00 C ATOM 1148 CG LEU A 73 -10.159 12.654 0.517 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -10.892 13.975 0.700 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.864 11.791 -0.519 1.00 0.00 C ATOM 0 H LEU A 73 -7.153 11.670 1.745 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.512 10.939 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.208 13.433 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.697 13.557 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.166 12.123 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.925 13.781 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.401 14.559 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.876 14.533 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.897 11.627 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.847 12.295 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.353 10.831 -0.601 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.545 11.464 -0.840 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.350 11.739 -1.629 1.00 0.00 C ATOM 1164 C GLN A 74 -3.806 10.460 -2.257 1.00 0.00 C ATOM 1165 O GLN A 74 -3.764 9.401 -1.630 1.00 0.00 O ATOM 1166 CB GLN A 74 -3.275 12.389 -0.756 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.641 13.786 -0.281 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.250 14.862 -1.275 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -3.368 14.676 -2.487 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -2.781 15.996 -0.767 1.00 0.00 N ATOM 0 H GLN A 74 -5.400 10.813 -0.068 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.624 12.427 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.091 11.756 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.342 12.438 -1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.715 13.835 -0.102 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.150 13.982 0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.700 16.107 0.244 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.502 16.756 -1.388 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.380 10.557 -3.525 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.830 9.417 -4.265 1.00 0.00 C ATOM 1181 C PRO A 75 -1.467 8.985 -3.737 1.00 0.00 C ATOM 1182 O PRO A 75 -0.793 9.742 -3.036 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.706 9.950 -5.695 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.578 11.426 -5.539 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.400 11.788 -4.333 1.00 0.00 C ATOM 0 HA PRO A 75 -3.461 8.532 -4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.837 9.529 -6.201 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.580 9.689 -6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.536 11.715 -5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.939 11.945 -6.427 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.970 12.631 -3.792 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.416 12.071 -4.609 1.00 0.00 H new ATOM 1193 N LEU A 76 -1.066 7.765 -4.076 1.00 0.00 N ATOM 1194 CA LEU A 76 0.219 7.232 -3.636 1.00 0.00 C ATOM 1195 C LEU A 76 1.369 8.099 -4.140 1.00 0.00 C ATOM 1196 O LEU A 76 2.396 8.230 -3.475 1.00 0.00 O ATOM 1197 CB LEU A 76 0.393 5.795 -4.130 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.422 4.730 -3.397 1.00 0.00 C ATOM 1199 CD1 LEU A 76 0.022 4.622 -1.946 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.909 5.046 -3.479 1.00 0.00 C ATOM 0 H LEU A 76 -1.612 7.126 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 76 0.234 7.239 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.130 5.761 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.448 5.532 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.247 3.769 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.570 3.859 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.076 4.348 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.122 5.581 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.474 4.277 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.101 6.016 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.219 5.071 -4.524 1.00 0.00 H new ATOM 1212 N GLN A 77 1.188 8.688 -5.317 1.00 0.00 N ATOM 1213 CA GLN A 77 2.210 9.543 -5.908 1.00 0.00 C ATOM 1214 C GLN A 77 2.503 10.742 -5.012 1.00 0.00 C ATOM 1215 O GLN A 77 3.638 11.213 -4.938 1.00 0.00 O ATOM 1216 CB GLN A 77 1.767 10.022 -7.292 1.00 0.00 C ATOM 1217 CG GLN A 77 2.346 11.372 -7.683 1.00 0.00 C ATOM 1218 CD GLN A 77 1.693 12.523 -6.943 1.00 0.00 C ATOM 1219 OE1 GLN A 77 2.511 13.390 -6.357 1.00 0.00 O flip ATOM 1220 NE2 GLN A 77 0.468 12.632 -6.899 1.00 0.00 N flip ATOM 0 H GLN A 77 0.343 8.589 -5.880 1.00 0.00 H new ATOM 0 HA GLN A 77 3.123 8.957 -6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.061 9.281 -8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.679 10.082 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.417 11.376 -7.481 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.223 11.519 -8.756 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.122 11.942 -7.364 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.043 13.412 -6.398 1.00 0.00 H new ATOM 1229 N PHE A 78 1.471 11.232 -4.333 1.00 0.00 N ATOM 1230 CA PHE A 78 1.617 12.378 -3.442 1.00 0.00 C ATOM 1231 C PHE A 78 2.674 12.106 -2.375 1.00 0.00 C ATOM 1232 O PHE A 78 3.277 13.032 -1.833 1.00 0.00 O ATOM 1233 CB PHE A 78 0.279 12.708 -2.778 1.00 0.00 C ATOM 1234 CG PHE A 78 0.319 13.949 -1.933 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.344 15.203 -2.522 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.330 13.862 -0.550 1.00 0.00 C ATOM 1237 CE1 PHE A 78 0.381 16.347 -1.747 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.368 15.003 0.230 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.392 16.247 -0.370 1.00 0.00 C ATOM 0 H PHE A 78 0.525 10.854 -4.382 1.00 0.00 H new ATOM 0 HA PHE A 78 1.939 13.232 -4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.481 12.828 -3.550 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.027 11.866 -2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.334 15.288 -3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.309 12.892 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.401 17.319 -2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.379 14.922 1.307 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.419 17.140 0.237 1.00 0.00 H new ATOM 1249 N TYR A 79 2.891 10.830 -2.079 1.00 0.00 N ATOM 1250 CA TYR A 79 3.873 10.435 -1.075 1.00 0.00 C ATOM 1251 C TYR A 79 5.184 10.015 -1.731 1.00 0.00 C ATOM 1252 O TYR A 79 5.985 9.292 -1.138 1.00 0.00 O ATOM 1253 CB TYR A 79 3.327 9.289 -0.221 1.00 0.00 C ATOM 1254 CG TYR A 79 2.254 9.718 0.754 1.00 0.00 C ATOM 1255 CD1 TYR A 79 0.913 9.709 0.390 1.00 0.00 C ATOM 1256 CD2 TYR A 79 2.581 10.134 2.039 1.00 0.00 C ATOM 1257 CE1 TYR A 79 -0.071 10.101 1.277 1.00 0.00 C ATOM 1258 CE2 TYR A 79 1.604 10.526 2.933 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.280 10.508 2.548 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.696 10.900 3.435 1.00 0.00 O ATOM 0 H TYR A 79 2.401 10.051 -2.519 1.00 0.00 H new ATOM 0 HA TYR A 79 4.067 11.296 -0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.922 8.519 -0.878 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.149 8.836 0.333 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.635 9.390 -0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.617 10.151 2.344 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.109 10.089 0.978 1.00 0.00 H new ATOM 0 HE2 TYR A 79 1.876 10.845 3.928 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.282 11.155 4.286 1.00 0.00 H new ATOM 1270 N SER A 80 5.398 10.475 -2.960 1.00 0.00 N ATOM 1271 CA SER A 80 6.610 10.145 -3.700 1.00 0.00 C ATOM 1272 C SER A 80 6.826 8.636 -3.744 1.00 0.00 C ATOM 1273 O SER A 80 7.961 8.159 -3.734 1.00 0.00 O ATOM 1274 CB SER A 80 7.823 10.827 -3.062 1.00 0.00 C ATOM 1275 OG SER A 80 8.939 10.801 -3.935 1.00 0.00 O ATOM 0 H SER A 80 4.747 11.077 -3.464 1.00 0.00 H new ATOM 0 HA SER A 80 6.493 10.507 -4.721 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.575 11.859 -2.814 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.076 10.326 -2.128 1.00 0.00 H new ATOM 0 HG SER A 80 9.100 9.881 -4.232 1.00 0.00 H new ATOM 1281 N VAL A 81 5.728 7.888 -3.793 1.00 0.00 N ATOM 1282 CA VAL A 81 5.796 6.432 -3.839 1.00 0.00 C ATOM 1283 C VAL A 81 5.956 5.936 -5.272 1.00 0.00 C ATOM 1284 O VAL A 81 5.274 6.405 -6.182 1.00 0.00 O ATOM 1285 CB VAL A 81 4.538 5.792 -3.223 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.581 4.279 -3.374 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.401 6.187 -1.761 1.00 0.00 C ATOM 0 H VAL A 81 4.781 8.266 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 81 6.668 6.136 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 81 3.663 6.162 -3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.684 3.844 -2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.628 4.020 -4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.462 3.887 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.507 5.726 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.277 5.848 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.321 7.271 -1.683 1.00 0.00 H new ATOM 1297 N GLU A 82 6.862 4.982 -5.464 1.00 0.00 N ATOM 1298 CA GLU A 82 7.112 4.422 -6.787 1.00 0.00 C ATOM 1299 C GLU A 82 7.388 2.923 -6.700 1.00 0.00 C ATOM 1300 O GLU A 82 7.879 2.430 -5.685 1.00 0.00 O ATOM 1301 CB GLU A 82 8.294 5.132 -7.451 1.00 0.00 C ATOM 1302 CG GLU A 82 9.552 5.145 -6.600 1.00 0.00 C ATOM 1303 CD GLU A 82 10.660 5.982 -7.210 1.00 0.00 C ATOM 1304 OE1 GLU A 82 10.369 7.101 -7.679 1.00 0.00 O ATOM 1305 OE2 GLU A 82 11.819 5.516 -7.216 1.00 0.00 O ATOM 0 H GLU A 82 7.434 4.581 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 82 6.219 4.575 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.513 4.644 -8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.009 6.159 -7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.312 5.532 -5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.906 4.123 -6.465 1.00 0.00 H new ATOM 1312 N ASN A 83 7.069 2.205 -7.772 1.00 0.00 N ATOM 1313 CA ASN A 83 7.281 0.763 -7.817 1.00 0.00 C ATOM 1314 C ASN A 83 8.599 0.386 -7.147 1.00 0.00 C ATOM 1315 O ASN A 83 9.605 1.079 -7.298 1.00 0.00 O ATOM 1316 CB ASN A 83 7.273 0.271 -9.265 1.00 0.00 C ATOM 1317 CG ASN A 83 8.312 0.971 -10.120 1.00 0.00 C ATOM 1318 OD1 ASN A 83 8.629 2.140 -9.897 1.00 0.00 O ATOM 1319 ND2 ASN A 83 8.846 0.258 -11.105 1.00 0.00 N ATOM 0 H ASN A 83 6.663 2.598 -8.621 1.00 0.00 H new ATOM 0 HA ASN A 83 6.467 0.284 -7.273 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.457 -0.803 -9.282 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.284 0.432 -9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.549 0.676 -11.714 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.553 -0.708 -11.253 1.00 0.00 H new ATOM 1326 N GLY A 84 8.586 -0.718 -6.406 1.00 0.00 N ATOM 1327 CA GLY A 84 9.785 -1.168 -5.724 1.00 0.00 C ATOM 1328 C GLY A 84 9.673 -1.054 -4.217 1.00 0.00 C ATOM 1329 O GLY A 84 9.937 -2.014 -3.493 1.00 0.00 O ATOM 0 H GLY A 84 7.766 -1.309 -6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.984 -2.205 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.637 -0.581 -6.067 1.00 0.00 H new ATOM 1333 N ASP A 85 9.282 0.123 -3.742 1.00 0.00 N ATOM 1334 CA ASP A 85 9.136 0.360 -2.310 1.00 0.00 C ATOM 1335 C ASP A 85 8.377 -0.783 -1.645 1.00 0.00 C ATOM 1336 O ASP A 85 7.776 -1.619 -2.321 1.00 0.00 O ATOM 1337 CB ASP A 85 8.410 1.683 -2.062 1.00 0.00 C ATOM 1338 CG ASP A 85 6.903 1.544 -2.158 1.00 0.00 C ATOM 1339 OD1 ASP A 85 6.332 0.737 -1.395 1.00 0.00 O ATOM 1340 OD2 ASP A 85 6.295 2.243 -2.995 1.00 0.00 O ATOM 0 H ASP A 85 9.060 0.928 -4.327 1.00 0.00 H new ATOM 0 HA ASP A 85 10.133 0.414 -1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.675 2.060 -1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.751 2.422 -2.787 1.00 0.00 H new ATOM 1345 N CYS A 86 8.410 -0.815 -0.317 1.00 0.00 N ATOM 1346 CA CYS A 86 7.726 -1.857 0.440 1.00 0.00 C ATOM 1347 C CYS A 86 6.465 -1.311 1.101 1.00 0.00 C ATOM 1348 O CYS A 86 6.420 -0.151 1.513 1.00 0.00 O ATOM 1349 CB CYS A 86 8.661 -2.442 1.500 1.00 0.00 C ATOM 1350 SG CYS A 86 9.981 -3.479 0.830 1.00 0.00 S ATOM 0 H CYS A 86 8.903 -0.131 0.257 1.00 0.00 H new ATOM 0 HA CYS A 86 7.436 -2.646 -0.254 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.108 -1.624 2.066 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.072 -3.031 2.203 1.00 0.00 H new ATOM 0 HG CYS A 86 10.719 -3.925 1.803 1.00 0.00 H new ATOM 1356 N LEU A 87 5.443 -2.153 1.199 1.00 0.00 N ATOM 1357 CA LEU A 87 4.179 -1.754 1.810 1.00 0.00 C ATOM 1358 C LEU A 87 4.010 -2.399 3.182 1.00 0.00 C ATOM 1359 O LEU A 87 3.930 -3.623 3.299 1.00 0.00 O ATOM 1360 CB LEU A 87 3.008 -2.141 0.904 1.00 0.00 C ATOM 1361 CG LEU A 87 2.669 -1.153 -0.212 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.513 -1.673 -1.053 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.336 0.214 0.368 1.00 0.00 C ATOM 0 H LEU A 87 5.464 -3.116 0.864 1.00 0.00 H new ATOM 0 HA LEU A 87 4.190 -0.671 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.229 -3.108 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.122 -2.275 1.525 1.00 0.00 H new ATOM 0 HG LEU A 87 3.542 -1.049 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.286 -0.956 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.789 -2.629 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.635 -1.807 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.097 0.904 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.479 0.127 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.193 0.591 0.926 1.00 0.00 H new ATOM 1375 N LEU A 88 3.954 -1.568 4.217 1.00 0.00 N ATOM 1376 CA LEU A 88 3.791 -2.057 5.582 1.00 0.00 C ATOM 1377 C LEU A 88 2.374 -1.802 6.086 1.00 0.00 C ATOM 1378 O LEU A 88 2.005 -0.666 6.383 1.00 0.00 O ATOM 1379 CB LEU A 88 4.804 -1.383 6.510 1.00 0.00 C ATOM 1380 CG LEU A 88 6.269 -1.469 6.079 1.00 0.00 C ATOM 1381 CD1 LEU A 88 7.076 -0.344 6.708 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.855 -2.823 6.453 1.00 0.00 C ATOM 0 H LEU A 88 4.019 -0.553 4.137 1.00 0.00 H new ATOM 0 HA LEU A 88 3.968 -3.133 5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.535 -0.331 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.711 -1.827 7.501 1.00 0.00 H new ATOM 0 HG LEU A 88 6.318 -1.361 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.116 -0.421 6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.670 0.616 6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.022 -0.420 7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.898 -2.867 6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.795 -2.960 7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.292 -3.613 5.955 1.00 0.00 H new ATOM 1394 N VAL A 89 1.585 -2.867 6.183 1.00 0.00 N ATOM 1395 CA VAL A 89 0.210 -2.760 6.655 1.00 0.00 C ATOM 1396 C VAL A 89 0.137 -2.898 8.171 1.00 0.00 C ATOM 1397 O VAL A 89 0.895 -3.659 8.772 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.691 -3.829 6.008 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.087 -3.787 6.611 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.746 -3.638 4.500 1.00 0.00 C ATOM 0 H VAL A 89 1.875 -3.814 5.941 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.148 -1.772 6.366 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.263 -4.811 6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.709 -4.549 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.026 -3.977 7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.527 -2.804 6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.387 -4.402 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.149 -2.651 4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.258 -3.724 4.085 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.782 -2.159 8.784 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.954 -2.199 10.231 1.00 0.00 C ATOM 1412 C ARG A 90 -2.311 -1.628 10.633 1.00 0.00 C ATOM 1413 O ARG A 90 -3.085 -1.185 9.785 1.00 0.00 O ATOM 1414 CB ARG A 90 0.165 -1.416 10.921 1.00 0.00 C ATOM 1415 CG ARG A 90 0.377 -1.808 12.374 1.00 0.00 C ATOM 1416 CD ARG A 90 1.818 -1.589 12.806 1.00 0.00 C ATOM 1417 NE ARG A 90 2.228 -2.531 13.844 1.00 0.00 N ATOM 1418 CZ ARG A 90 3.261 -2.330 14.653 1.00 0.00 C ATOM 1419 NH1 ARG A 90 3.986 -1.224 14.546 1.00 0.00 N ATOM 1420 NH2 ARG A 90 3.572 -3.234 15.573 1.00 0.00 N ATOM 0 H ARG A 90 -1.419 -1.525 8.301 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.909 -3.241 10.548 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.095 -1.569 10.373 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.064 -0.351 10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.287 -1.223 13.010 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.110 -2.856 12.512 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.475 -1.693 11.942 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.935 -0.570 13.175 1.00 0.00 H new ATOM 0 HE ARG A 90 1.691 -3.391 13.953 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.750 -0.526 13.841 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.779 -1.072 15.169 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.017 -4.085 15.660 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.366 -3.078 16.194 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.592 -1.644 11.931 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.856 -1.129 12.445 1.00 0.00 C ATOM 1436 C TRP A 91 -3.842 -1.075 13.969 1.00 0.00 C ATOM 1437 O TRP A 91 -2.940 -1.613 14.610 1.00 0.00 O ATOM 1438 CB TRP A 91 -5.018 -1.998 11.964 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.931 -3.419 12.433 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.335 -3.910 13.642 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.405 -4.532 11.701 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -5.092 -5.260 13.706 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.522 -5.667 12.528 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.849 -4.681 10.428 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -4.102 -6.930 12.121 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.432 -5.936 10.026 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.561 -7.047 10.870 1.00 0.00 C ATOM 0 H TRP A 91 -1.962 -2.008 12.646 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.988 -0.116 12.065 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.955 -1.564 12.313 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -5.046 -1.984 10.874 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.780 -3.323 14.432 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.302 -5.863 14.502 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.747 -3.831 9.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.200 -7.788 12.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.999 -6.062 9.045 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.227 -8.015 10.526 1.00 0.00 H new