USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 602 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 16 TYR OH : rot 30:sc= -1.26 USER MOD Set 1.2: A 74 MET CE :methyl 176:sc= -1.12 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -115:sc= -1.02! USER MOD Single : A 15 CYS SG : rot 32:sc= 0.0873 USER MOD Single : A 26 GLN : amide:sc= -0.196 K(o=-0.2,f=-2.6!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.0885 X(o=0.088,f=0) USER MOD Single : A 34 CYS SG : rot -25:sc= -4.71! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -70:sc= -0.99 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 58 GLN :FLIP amide:sc= -2.86! F(o=-3.5,f=-2.9!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 75 CYS SG : rot -55:sc= -0.164 USER MOD Single : A 81 THR OG1 : rot -130:sc= -1.01 USER MOD Single : A 88 SER OG : rot 76:sc= 0.491 USER MOD Single : A 92 TYR OH : rot 12:sc= 0.635 USER MOD Single : A 93 GLN : amide:sc= -0.287 K(o=-0.29,f=-2.8!) USER MOD Single : A 94 CYS SG : rot 180:sc=-0.00553 USER MOD Single : A 95 GLN : amide:sc= -1.89 K(o=-1.9,f=-8.3!) USER MOD Single : A 99 THR OG1 : rot -97:sc= 0.0279 USER MOD Single : A 100 TYR OH : rot -137:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 -12.162 -16.861 -6.484 1.00 0.00 N ATOM 75 CA LYS A 6 -11.376 -15.648 -6.286 1.00 0.00 C ATOM 76 C LYS A 6 -9.921 -15.887 -6.687 1.00 0.00 C ATOM 77 O LYS A 6 -9.514 -17.025 -6.919 1.00 0.00 O ATOM 78 CB LYS A 6 -11.452 -15.186 -4.826 1.00 0.00 C ATOM 79 CG LYS A 6 -12.799 -15.444 -4.160 1.00 0.00 C ATOM 80 CD LYS A 6 -13.571 -14.153 -3.943 1.00 0.00 C ATOM 81 CE LYS A 6 -14.442 -14.225 -2.698 1.00 0.00 C ATOM 82 NZ LYS A 6 -15.818 -13.715 -2.950 1.00 0.00 N ATOM 0 HA LYS A 6 -11.792 -14.864 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.674 -15.692 -4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.236 -14.119 -4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.388 -16.121 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.643 -15.941 -3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.872 -13.321 -3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.195 -13.951 -4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.496 -15.257 -2.352 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.981 -13.645 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.378 -13.782 -2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.770 -12.722 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.268 -14.285 -3.695 1.00 0.00 H new ATOM 96 N ILE A 7 -9.144 -14.813 -6.776 1.00 0.00 N ATOM 97 CA ILE A 7 -7.739 -14.921 -7.160 1.00 0.00 C ATOM 98 C ILE A 7 -6.804 -14.576 -6.005 1.00 0.00 C ATOM 99 O ILE A 7 -5.636 -14.965 -6.006 1.00 0.00 O ATOM 100 CB ILE A 7 -7.406 -14.009 -8.355 1.00 0.00 C ATOM 101 CG1 ILE A 7 -7.818 -12.563 -8.062 1.00 0.00 C ATOM 102 CG2 ILE A 7 -8.088 -14.519 -9.615 1.00 0.00 C ATOM 103 CD1 ILE A 7 -6.658 -11.592 -8.070 1.00 0.00 C ATOM 0 H ILE A 7 -9.460 -13.861 -6.589 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.584 -15.962 -7.444 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.328 -14.028 -8.515 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.552 -12.246 -8.802 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.308 -12.523 -7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.843 -13.864 -10.451 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.742 -15.530 -9.832 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.168 -14.529 -9.466 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.023 -10.588 -7.855 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.933 -11.885 -7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.181 -11.603 -9.050 1.00 0.00 H new ATOM 115 N PHE A 8 -7.320 -13.849 -5.021 1.00 0.00 N ATOM 116 CA PHE A 8 -6.521 -13.460 -3.866 1.00 0.00 C ATOM 117 C PHE A 8 -6.695 -14.466 -2.732 1.00 0.00 C ATOM 118 O PHE A 8 -5.717 -14.901 -2.125 1.00 0.00 O ATOM 119 CB PHE A 8 -6.914 -12.056 -3.396 1.00 0.00 C ATOM 120 CG PHE A 8 -6.478 -10.950 -4.324 1.00 0.00 C ATOM 121 CD1 PHE A 8 -5.341 -11.081 -5.110 1.00 0.00 C ATOM 122 CD2 PHE A 8 -7.210 -9.776 -4.406 1.00 0.00 C ATOM 123 CE1 PHE A 8 -4.948 -10.062 -5.958 1.00 0.00 C ATOM 124 CE2 PHE A 8 -6.820 -8.756 -5.252 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.688 -8.899 -6.028 1.00 0.00 C ATOM 0 H PHE A 8 -8.285 -13.518 -5.000 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.471 -13.449 -4.160 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.997 -12.013 -3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.482 -11.880 -2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.757 -11.988 -5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.097 -9.657 -3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.062 -10.176 -6.565 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.401 -7.847 -5.306 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.381 -8.102 -6.689 1.00 0.00 H new ATOM 135 N ARG A 9 -7.946 -14.838 -2.458 1.00 0.00 N ATOM 136 CA ARG A 9 -8.250 -15.803 -1.400 1.00 0.00 C ATOM 137 C ARG A 9 -7.427 -15.520 -0.148 1.00 0.00 C ATOM 138 O ARG A 9 -6.323 -16.040 0.012 1.00 0.00 O ATOM 139 CB ARG A 9 -7.983 -17.227 -1.888 1.00 0.00 C ATOM 140 CG ARG A 9 -8.413 -18.299 -0.900 1.00 0.00 C ATOM 141 CD ARG A 9 -8.657 -19.629 -1.593 1.00 0.00 C ATOM 142 NE ARG A 9 -9.765 -20.366 -0.991 1.00 0.00 N ATOM 143 CZ ARG A 9 -10.414 -21.358 -1.597 1.00 0.00 C ATOM 144 NH1 ARG A 9 -10.066 -21.736 -2.821 1.00 0.00 N ATOM 145 NH2 ARG A 9 -11.411 -21.974 -0.978 1.00 0.00 N ATOM 0 H ARG A 9 -8.765 -14.486 -2.954 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.306 -15.704 -1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.506 -17.383 -2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.918 -17.339 -2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.645 -18.421 -0.136 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.322 -17.981 -0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.869 -19.454 -2.648 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.751 -20.234 -1.546 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.059 -20.105 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.299 -21.266 -3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.566 -22.497 -3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.681 -21.688 -0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.908 -22.734 -1.443 1.00 0.00 H new ATOM 159 N GLY A 10 -7.963 -14.679 0.728 1.00 0.00 N ATOM 160 CA GLY A 10 -7.250 -14.331 1.942 1.00 0.00 C ATOM 161 C GLY A 10 -6.077 -13.422 1.649 1.00 0.00 C ATOM 162 O GLY A 10 -4.923 -13.849 1.677 1.00 0.00 O ATOM 0 H GLY A 10 -8.874 -14.234 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.930 -13.838 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.896 -15.238 2.431 1.00 0.00 H new ATOM 166 N LEU A 11 -6.382 -12.169 1.344 1.00 0.00 N ATOM 167 CA LEU A 11 -5.357 -11.188 1.016 1.00 0.00 C ATOM 168 C LEU A 11 -5.783 -9.790 1.457 1.00 0.00 C ATOM 169 O LEU A 11 -6.795 -9.270 0.999 1.00 0.00 O ATOM 170 CB LEU A 11 -5.103 -11.207 -0.493 1.00 0.00 C ATOM 171 CG LEU A 11 -3.681 -10.862 -0.921 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.453 -11.253 -2.373 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.416 -9.381 -0.717 1.00 0.00 C ATOM 0 H LEU A 11 -7.335 -11.806 1.317 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.440 -11.446 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.348 -12.199 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.788 -10.505 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.983 -11.426 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.433 -11.000 -2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.607 -12.326 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.155 -10.714 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.397 -9.148 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.119 -8.800 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.542 -9.131 0.336 1.00 0.00 H new ATOM 185 N GLU A 12 -5.007 -9.187 2.353 1.00 0.00 N ATOM 186 CA GLU A 12 -5.319 -7.851 2.850 1.00 0.00 C ATOM 187 C GLU A 12 -4.571 -6.781 2.061 1.00 0.00 C ATOM 188 O GLU A 12 -3.345 -6.811 1.964 1.00 0.00 O ATOM 189 CB GLU A 12 -4.976 -7.744 4.337 1.00 0.00 C ATOM 190 CG GLU A 12 -6.174 -7.935 5.251 1.00 0.00 C ATOM 191 CD GLU A 12 -5.832 -8.711 6.508 1.00 0.00 C ATOM 192 OE1 GLU A 12 -5.208 -8.124 7.417 1.00 0.00 O ATOM 193 OE2 GLU A 12 -6.187 -9.906 6.583 1.00 0.00 O ATOM 0 H GLU A 12 -4.162 -9.600 2.748 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.388 -7.685 2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.220 -8.490 4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.534 -6.767 4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.574 -6.960 5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.961 -8.459 4.708 1.00 0.00 H new ATOM 200 N ILE A 13 -5.319 -5.834 1.500 1.00 0.00 N ATOM 201 CA ILE A 13 -4.727 -4.752 0.720 1.00 0.00 C ATOM 202 C ILE A 13 -5.298 -3.399 1.133 1.00 0.00 C ATOM 203 O ILE A 13 -6.515 -3.223 1.206 1.00 0.00 O ATOM 204 CB ILE A 13 -4.957 -4.951 -0.793 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.488 -6.341 -1.230 1.00 0.00 C ATOM 206 CG2 ILE A 13 -4.238 -3.870 -1.587 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.540 -7.117 -1.993 1.00 0.00 C ATOM 0 H ILE A 13 -6.336 -5.795 1.571 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.656 -4.771 0.922 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.026 -4.872 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.600 -6.238 -1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.194 -6.911 -0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.411 -4.025 -2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.619 -2.891 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.169 -3.918 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.141 -8.092 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.420 -7.251 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.817 -6.567 -2.893 1.00 0.00 H new ATOM 219 N CYS A 14 -4.412 -2.445 1.401 1.00 0.00 N ATOM 220 CA CYS A 14 -4.827 -1.106 1.805 1.00 0.00 C ATOM 221 C CYS A 14 -4.291 -0.049 0.845 1.00 0.00 C ATOM 222 O CYS A 14 -3.197 -0.189 0.298 1.00 0.00 O ATOM 223 CB CYS A 14 -4.347 -0.813 3.226 1.00 0.00 C ATOM 224 SG CYS A 14 -2.550 -0.692 3.391 1.00 0.00 S ATOM 0 H CYS A 14 -3.402 -2.574 1.346 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.916 -1.068 1.778 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.795 0.121 3.564 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.710 -1.598 3.889 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.118 -1.658 4.146 1.00 0.00 H new ATOM 230 N CYS A 15 -5.070 1.010 0.647 1.00 0.00 N ATOM 231 CA CYS A 15 -4.677 2.096 -0.243 1.00 0.00 C ATOM 232 C CYS A 15 -4.284 3.335 0.552 1.00 0.00 C ATOM 233 O CYS A 15 -5.035 3.798 1.412 1.00 0.00 O ATOM 234 CB CYS A 15 -5.817 2.433 -1.206 1.00 0.00 C ATOM 235 SG CYS A 15 -7.365 2.886 -0.387 1.00 0.00 S ATOM 0 H CYS A 15 -5.979 1.139 1.092 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.812 1.766 -0.818 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.504 3.256 -1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.998 1.574 -1.853 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.103 3.473 0.743 1.00 0.00 H new ATOM 241 N TYR A 16 -3.102 3.866 0.260 1.00 0.00 N ATOM 242 CA TYR A 16 -2.606 5.052 0.950 1.00 0.00 C ATOM 243 C TYR A 16 -2.952 6.321 0.177 1.00 0.00 C ATOM 244 O TYR A 16 -2.336 6.624 -0.844 1.00 0.00 O ATOM 245 CB TYR A 16 -1.092 4.958 1.146 1.00 0.00 C ATOM 246 CG TYR A 16 -0.610 5.565 2.444 1.00 0.00 C ATOM 247 CD1 TYR A 16 -0.837 4.929 3.658 1.00 0.00 C ATOM 248 CD2 TYR A 16 0.071 6.775 2.454 1.00 0.00 C ATOM 249 CE1 TYR A 16 -0.397 5.481 4.846 1.00 0.00 C ATOM 250 CE2 TYR A 16 0.515 7.334 3.639 1.00 0.00 C ATOM 251 CZ TYR A 16 0.278 6.684 4.830 1.00 0.00 C ATOM 252 OH TYR A 16 0.716 7.237 6.012 1.00 0.00 O ATOM 0 H TYR A 16 -2.470 3.495 -0.449 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.091 5.101 1.925 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.794 3.910 1.112 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.595 5.458 0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.366 3.988 3.674 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.257 7.288 1.522 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.580 4.974 5.782 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.045 8.275 3.630 1.00 0.00 H new ATOM 0 HH TYR A 16 0.915 6.523 6.653 1.00 0.00 H new ATOM 262 N GLY A 17 -3.939 7.058 0.676 1.00 0.00 N ATOM 263 CA GLY A 17 -4.349 8.289 0.024 1.00 0.00 C ATOM 264 C GLY A 17 -5.157 8.042 -1.237 1.00 0.00 C ATOM 265 O GLY A 17 -5.397 6.893 -1.608 1.00 0.00 O ATOM 0 H GLY A 17 -4.462 6.825 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.941 8.884 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.465 8.876 -0.225 1.00 0.00 H new ATOM 269 N PRO A 18 -5.593 9.113 -1.923 1.00 0.00 N ATOM 270 CA PRO A 18 -6.382 8.997 -3.154 1.00 0.00 C ATOM 271 C PRO A 18 -5.553 8.493 -4.331 1.00 0.00 C ATOM 272 O PRO A 18 -4.437 8.003 -4.153 1.00 0.00 O ATOM 273 CB PRO A 18 -6.855 10.431 -3.407 1.00 0.00 C ATOM 274 CG PRO A 18 -5.829 11.288 -2.753 1.00 0.00 C ATOM 275 CD PRO A 18 -5.352 10.521 -1.551 1.00 0.00 C ATOM 0 HA PRO A 18 -7.194 8.277 -3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.926 10.642 -4.474 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.844 10.603 -2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.004 11.498 -3.434 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.253 12.249 -2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.297 10.708 -1.348 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.903 10.799 -0.653 1.00 0.00 H new ATOM 283 N PHE A 19 -6.107 8.617 -5.533 1.00 0.00 N ATOM 284 CA PHE A 19 -5.421 8.173 -6.742 1.00 0.00 C ATOM 285 C PHE A 19 -5.636 9.164 -7.879 1.00 0.00 C ATOM 286 O PHE A 19 -4.681 9.636 -8.497 1.00 0.00 O ATOM 287 CB PHE A 19 -5.920 6.789 -7.159 1.00 0.00 C ATOM 288 CG PHE A 19 -5.558 5.700 -6.190 1.00 0.00 C ATOM 289 CD1 PHE A 19 -6.163 5.631 -4.946 1.00 0.00 C ATOM 290 CD2 PHE A 19 -4.612 4.745 -6.524 1.00 0.00 C ATOM 291 CE1 PHE A 19 -5.833 4.628 -4.053 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.276 3.741 -5.637 1.00 0.00 C ATOM 293 CZ PHE A 19 -4.887 3.682 -4.400 1.00 0.00 C ATOM 0 H PHE A 19 -7.029 9.021 -5.696 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.354 8.116 -6.525 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.004 6.821 -7.268 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.508 6.544 -8.138 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.901 6.369 -4.670 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.131 4.786 -7.490 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.313 4.584 -3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.536 3.003 -5.910 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.626 2.898 -3.705 1.00 0.00 H new ATOM 376 N ASP A 25 -13.032 3.459 -2.598 1.00 0.00 N ATOM 377 CA ASP A 25 -13.957 2.351 -2.392 1.00 0.00 C ATOM 378 C ASP A 25 -13.923 1.408 -3.585 1.00 0.00 C ATOM 379 O ASP A 25 -14.202 0.215 -3.461 1.00 0.00 O ATOM 380 CB ASP A 25 -15.378 2.875 -2.178 1.00 0.00 C ATOM 381 CG ASP A 25 -15.536 3.593 -0.852 1.00 0.00 C ATOM 382 OD1 ASP A 25 -15.671 2.906 0.183 1.00 0.00 O ATOM 383 OD2 ASP A 25 -15.525 4.842 -0.848 1.00 0.00 O ATOM 0 HA ASP A 25 -13.648 1.804 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.638 3.555 -2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.080 2.042 -2.223 1.00 0.00 H new ATOM 388 N GLN A 26 -13.571 1.955 -4.740 1.00 0.00 N ATOM 389 CA GLN A 26 -13.488 1.178 -5.964 1.00 0.00 C ATOM 390 C GLN A 26 -12.284 0.246 -5.923 1.00 0.00 C ATOM 391 O GLN A 26 -12.319 -0.859 -6.463 1.00 0.00 O ATOM 392 CB GLN A 26 -13.393 2.115 -7.166 1.00 0.00 C ATOM 393 CG GLN A 26 -14.205 1.655 -8.363 1.00 0.00 C ATOM 394 CD GLN A 26 -13.589 2.080 -9.683 1.00 0.00 C ATOM 395 OE1 GLN A 26 -12.441 2.515 -9.734 1.00 0.00 O ATOM 396 NE2 GLN A 26 -14.356 1.954 -10.761 1.00 0.00 N ATOM 0 H GLN A 26 -13.337 2.941 -4.853 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.388 0.571 -6.058 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.730 3.108 -6.869 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.348 2.208 -7.461 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -14.295 0.569 -8.341 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.214 2.060 -8.290 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.304 1.588 -10.673 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.997 2.223 -11.677 1.00 0.00 H new ATOM 405 N LEU A 27 -11.218 0.697 -5.269 1.00 0.00 N ATOM 406 CA LEU A 27 -10.007 -0.100 -5.148 1.00 0.00 C ATOM 407 C LEU A 27 -10.222 -1.244 -4.167 1.00 0.00 C ATOM 408 O LEU A 27 -9.946 -2.403 -4.478 1.00 0.00 O ATOM 409 CB LEU A 27 -8.833 0.773 -4.694 1.00 0.00 C ATOM 410 CG LEU A 27 -7.628 0.781 -5.635 1.00 0.00 C ATOM 411 CD1 LEU A 27 -7.051 -0.620 -5.781 1.00 0.00 C ATOM 412 CD2 LEU A 27 -8.017 1.346 -6.994 1.00 0.00 C ATOM 0 H LEU A 27 -11.170 1.610 -4.816 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.771 -0.518 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.187 1.797 -4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.505 0.432 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.859 1.422 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.195 -0.592 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.733 -0.986 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.812 -1.286 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.147 1.344 -7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.804 0.732 -7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.379 2.367 -6.873 1.00 0.00 H new ATOM 424 N GLU A 28 -10.727 -0.915 -2.981 1.00 0.00 N ATOM 425 CA GLU A 28 -10.986 -1.926 -1.966 1.00 0.00 C ATOM 426 C GLU A 28 -12.081 -2.878 -2.431 1.00 0.00 C ATOM 427 O GLU A 28 -12.105 -4.045 -2.041 1.00 0.00 O ATOM 428 CB GLU A 28 -11.372 -1.275 -0.640 1.00 0.00 C ATOM 429 CG GLU A 28 -12.569 -0.344 -0.740 1.00 0.00 C ATOM 430 CD GLU A 28 -13.571 -0.561 0.377 1.00 0.00 C ATOM 431 OE1 GLU A 28 -13.862 -1.734 0.694 1.00 0.00 O ATOM 432 OE2 GLU A 28 -14.067 0.440 0.933 1.00 0.00 O ATOM 0 H GLU A 28 -10.963 0.037 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.071 -2.498 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.591 -2.056 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.518 -0.715 -0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.224 0.690 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.062 -0.494 -1.700 1.00 0.00 H new ATOM 439 N TRP A 29 -12.971 -2.383 -3.285 1.00 0.00 N ATOM 440 CA TRP A 29 -14.044 -3.207 -3.820 1.00 0.00 C ATOM 441 C TRP A 29 -13.465 -4.212 -4.804 1.00 0.00 C ATOM 442 O TRP A 29 -13.726 -5.412 -4.720 1.00 0.00 O ATOM 443 CB TRP A 29 -15.094 -2.326 -4.511 1.00 0.00 C ATOM 444 CG TRP A 29 -15.868 -3.036 -5.581 1.00 0.00 C ATOM 445 CD1 TRP A 29 -16.805 -4.007 -5.399 1.00 0.00 C ATOM 446 CD2 TRP A 29 -15.764 -2.837 -6.996 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.300 -4.421 -6.612 1.00 0.00 N ATOM 448 CE2 TRP A 29 -16.676 -3.718 -7.609 1.00 0.00 C ATOM 449 CE3 TRP A 29 -14.992 -1.999 -7.805 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -16.836 -3.783 -8.990 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -15.150 -2.065 -9.176 1.00 0.00 C ATOM 452 CH2 TRP A 29 -16.068 -2.950 -9.757 1.00 0.00 C ATOM 0 H TRP A 29 -12.969 -1.419 -3.619 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.529 -3.743 -3.005 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -15.790 -1.950 -3.761 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.597 -1.460 -4.948 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -17.114 -4.396 -4.440 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -18.015 -5.135 -6.748 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -14.284 -1.312 -7.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -17.541 -4.466 -9.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -14.556 -1.424 -9.810 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -16.171 -2.975 -10.832 1.00 0.00 H new ATOM 463 N MET A 30 -12.670 -3.702 -5.734 1.00 0.00 N ATOM 464 CA MET A 30 -12.032 -4.534 -6.743 1.00 0.00 C ATOM 465 C MET A 30 -11.233 -5.656 -6.085 1.00 0.00 C ATOM 466 O MET A 30 -11.365 -6.823 -6.457 1.00 0.00 O ATOM 467 CB MET A 30 -11.121 -3.682 -7.631 1.00 0.00 C ATOM 468 CG MET A 30 -11.745 -3.317 -8.968 1.00 0.00 C ATOM 469 SD MET A 30 -10.573 -2.526 -10.088 1.00 0.00 S ATOM 470 CE MET A 30 -10.748 -0.810 -9.608 1.00 0.00 C ATOM 0 H MET A 30 -12.451 -2.709 -5.810 1.00 0.00 H new ATOM 0 HA MET A 30 -12.807 -4.982 -7.364 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.861 -2.767 -7.099 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.191 -4.223 -7.809 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.140 -4.218 -9.438 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.589 -2.648 -8.800 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.084 -0.193 -10.214 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.779 -0.492 -9.762 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.487 -0.698 -8.556 1.00 0.00 H new ATOM 480 N VAL A 31 -10.417 -5.303 -5.093 1.00 0.00 N ATOM 481 CA VAL A 31 -9.626 -6.299 -4.384 1.00 0.00 C ATOM 482 C VAL A 31 -10.551 -7.280 -3.679 1.00 0.00 C ATOM 483 O VAL A 31 -10.363 -8.495 -3.744 1.00 0.00 O ATOM 484 CB VAL A 31 -8.682 -5.655 -3.349 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.636 -4.787 -4.036 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.466 -4.842 -2.338 1.00 0.00 C ATOM 0 H VAL A 31 -10.289 -4.345 -4.767 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.013 -6.819 -5.121 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.167 -6.456 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.982 -4.343 -3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.045 -5.400 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.132 -3.996 -4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.779 -4.397 -1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.014 -4.053 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.169 -5.491 -1.816 1.00 0.00 H new ATOM 496 N GLN A 32 -11.566 -6.733 -3.021 1.00 0.00 N ATOM 497 CA GLN A 32 -12.556 -7.535 -2.313 1.00 0.00 C ATOM 498 C GLN A 32 -13.202 -8.533 -3.269 1.00 0.00 C ATOM 499 O GLN A 32 -13.514 -9.663 -2.896 1.00 0.00 O ATOM 500 CB GLN A 32 -13.626 -6.626 -1.702 1.00 0.00 C ATOM 501 CG GLN A 32 -13.446 -6.387 -0.212 1.00 0.00 C ATOM 502 CD GLN A 32 -14.698 -5.842 0.446 1.00 0.00 C ATOM 503 OE1 GLN A 32 -15.632 -6.587 0.740 1.00 0.00 O ATOM 504 NE2 GLN A 32 -14.722 -4.535 0.682 1.00 0.00 N ATOM 0 H GLN A 32 -11.726 -5.727 -2.963 1.00 0.00 H new ATOM 0 HA GLN A 32 -12.059 -8.084 -1.513 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.613 -5.667 -2.219 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.607 -7.068 -1.874 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.164 -7.323 0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.624 -5.688 -0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.924 -3.955 0.421 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.538 -4.111 1.124 1.00 0.00 H new ATOM 513 N LEU A 33 -13.387 -8.095 -4.509 1.00 0.00 N ATOM 514 CA LEU A 33 -13.984 -8.929 -5.546 1.00 0.00 C ATOM 515 C LEU A 33 -13.035 -10.054 -5.955 1.00 0.00 C ATOM 516 O LEU A 33 -13.459 -11.067 -6.510 1.00 0.00 O ATOM 517 CB LEU A 33 -14.337 -8.073 -6.764 1.00 0.00 C ATOM 518 CG LEU A 33 -15.188 -8.770 -7.826 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.422 -9.397 -7.196 1.00 0.00 C ATOM 520 CD2 LEU A 33 -15.586 -7.787 -8.916 1.00 0.00 C ATOM 0 H LEU A 33 -13.130 -7.159 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.893 -9.378 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.868 -7.185 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.412 -7.732 -7.229 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.593 -9.564 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.015 -9.888 -7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.117 -10.131 -6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.020 -8.622 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.191 -8.299 -9.664 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.163 -6.972 -8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.690 -7.385 -9.388 1.00 0.00 H new ATOM 532 N CYS A 34 -11.747 -9.861 -5.686 1.00 0.00 N ATOM 533 CA CYS A 34 -10.730 -10.850 -6.032 1.00 0.00 C ATOM 534 C CYS A 34 -10.452 -11.804 -4.872 1.00 0.00 C ATOM 535 O CYS A 34 -9.662 -12.738 -5.009 1.00 0.00 O ATOM 536 CB CYS A 34 -9.437 -10.149 -6.452 1.00 0.00 C ATOM 537 SG CYS A 34 -9.348 -9.758 -8.215 1.00 0.00 S ATOM 0 H CYS A 34 -11.382 -9.026 -5.228 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.112 -11.440 -6.865 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.334 -9.226 -5.881 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.590 -10.783 -6.188 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.117 -10.569 -8.879 1.00 0.00 H new ATOM 543 N GLY A 35 -11.097 -11.570 -3.731 1.00 0.00 N ATOM 544 CA GLY A 35 -10.895 -12.428 -2.576 1.00 0.00 C ATOM 545 C GLY A 35 -10.179 -11.724 -1.438 1.00 0.00 C ATOM 546 O GLY A 35 -10.185 -12.202 -0.305 1.00 0.00 O ATOM 0 H GLY A 35 -11.754 -10.803 -3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.861 -12.788 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.319 -13.303 -2.876 1.00 0.00 H new ATOM 550 N ALA A 36 -9.559 -10.591 -1.742 1.00 0.00 N ATOM 551 CA ALA A 36 -8.833 -9.823 -0.739 1.00 0.00 C ATOM 552 C ALA A 36 -9.784 -9.143 0.240 1.00 0.00 C ATOM 553 O ALA A 36 -11.003 -9.186 0.071 1.00 0.00 O ATOM 554 CB ALA A 36 -7.945 -8.792 -1.416 1.00 0.00 C ATOM 0 H ALA A 36 -9.544 -10.183 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.211 -10.514 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.406 -8.223 -0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.231 -9.298 -2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.560 -8.115 -2.009 1.00 0.00 H new ATOM 560 N SER A 37 -9.215 -8.514 1.262 1.00 0.00 N ATOM 561 CA SER A 37 -10.002 -7.819 2.272 1.00 0.00 C ATOM 562 C SER A 37 -9.515 -6.381 2.435 1.00 0.00 C ATOM 563 O SER A 37 -8.313 -6.124 2.467 1.00 0.00 O ATOM 564 CB SER A 37 -9.921 -8.556 3.611 1.00 0.00 C ATOM 565 OG SER A 37 -11.209 -8.940 4.060 1.00 0.00 O ATOM 0 H SER A 37 -8.207 -8.472 1.413 1.00 0.00 H new ATOM 0 HA SER A 37 -11.041 -7.800 1.944 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.291 -9.439 3.506 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.449 -7.914 4.355 1.00 0.00 H new ATOM 0 HG SER A 37 -11.130 -9.410 4.916 1.00 0.00 H new ATOM 571 N VAL A 38 -10.456 -5.450 2.533 1.00 0.00 N ATOM 572 CA VAL A 38 -10.120 -4.040 2.689 1.00 0.00 C ATOM 573 C VAL A 38 -9.568 -3.755 4.083 1.00 0.00 C ATOM 574 O VAL A 38 -10.215 -4.046 5.088 1.00 0.00 O ATOM 575 CB VAL A 38 -11.346 -3.140 2.436 1.00 0.00 C ATOM 576 CG1 VAL A 38 -12.436 -3.408 3.463 1.00 0.00 C ATOM 577 CG2 VAL A 38 -10.943 -1.673 2.446 1.00 0.00 C ATOM 0 H VAL A 38 -11.457 -5.645 2.507 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.354 -3.813 1.948 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.746 -3.378 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.290 -2.761 3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.747 -4.451 3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.052 -3.204 4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.821 -1.053 2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.513 -1.420 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.205 -1.493 1.664 1.00 0.00 H new ATOM 587 N VAL A 39 -8.367 -3.184 4.135 1.00 0.00 N ATOM 588 CA VAL A 39 -7.732 -2.861 5.407 1.00 0.00 C ATOM 589 C VAL A 39 -8.031 -1.420 5.810 1.00 0.00 C ATOM 590 O VAL A 39 -8.157 -0.542 4.957 1.00 0.00 O ATOM 591 CB VAL A 39 -6.205 -3.059 5.341 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.634 -3.312 6.724 1.00 0.00 C ATOM 593 CG2 VAL A 39 -5.841 -4.196 4.396 1.00 0.00 C ATOM 0 H VAL A 39 -7.816 -2.937 3.313 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.143 -3.541 6.153 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.766 -2.141 4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.555 -3.449 6.653 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.850 -2.460 7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.086 -4.209 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.758 -4.314 4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.298 -5.121 4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.207 -3.968 3.395 1.00 0.00 H new ATOM 603 N LYS A 40 -8.148 -1.185 7.113 1.00 0.00 N ATOM 604 CA LYS A 40 -8.438 0.152 7.625 1.00 0.00 C ATOM 605 C LYS A 40 -7.222 1.062 7.506 1.00 0.00 C ATOM 606 O LYS A 40 -7.339 2.225 7.119 1.00 0.00 O ATOM 607 CB LYS A 40 -8.891 0.076 9.084 1.00 0.00 C ATOM 608 CG LYS A 40 -10.203 -0.666 9.276 1.00 0.00 C ATOM 609 CD LYS A 40 -9.985 -2.168 9.378 1.00 0.00 C ATOM 610 CE LYS A 40 -10.798 -2.776 10.511 1.00 0.00 C ATOM 611 NZ LYS A 40 -9.951 -3.096 11.692 1.00 0.00 N ATOM 0 H LYS A 40 -8.047 -1.900 7.833 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.242 0.574 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.116 -0.416 9.671 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.995 1.088 9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.696 -0.307 10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.870 -0.450 8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.262 -2.641 8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.926 -2.373 9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.585 -2.082 10.806 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.289 -3.684 10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.542 -3.508 12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.215 -3.778 11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.503 -2.226 12.044 1.00 0.00 H new ATOM 625 N GLU A 41 -6.057 0.525 7.843 1.00 0.00 N ATOM 626 CA GLU A 41 -4.815 1.288 7.779 1.00 0.00 C ATOM 627 C GLU A 41 -3.608 0.358 7.707 1.00 0.00 C ATOM 628 O GLU A 41 -3.753 -0.862 7.631 1.00 0.00 O ATOM 629 CB GLU A 41 -4.693 2.209 8.994 1.00 0.00 C ATOM 630 CG GLU A 41 -5.247 3.606 8.757 1.00 0.00 C ATOM 631 CD GLU A 41 -4.171 4.674 8.780 1.00 0.00 C ATOM 632 OE1 GLU A 41 -3.856 5.174 9.880 1.00 0.00 O ATOM 633 OE2 GLU A 41 -3.643 5.009 7.699 1.00 0.00 O ATOM 0 H GLU A 41 -5.945 -0.437 8.164 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.838 1.895 6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.217 1.757 9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.643 2.287 9.277 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.758 3.631 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.993 3.831 9.520 1.00 0.00 H new ATOM 640 N LEU A 42 -2.417 0.945 7.730 1.00 0.00 N ATOM 641 CA LEU A 42 -1.182 0.172 7.667 1.00 0.00 C ATOM 642 C LEU A 42 -1.040 -0.734 8.889 1.00 0.00 C ATOM 643 O LEU A 42 -0.782 -1.930 8.761 1.00 0.00 O ATOM 644 CB LEU A 42 0.025 1.107 7.569 1.00 0.00 C ATOM 645 CG LEU A 42 -0.073 2.182 6.484 1.00 0.00 C ATOM 646 CD1 LEU A 42 1.070 3.177 6.615 1.00 0.00 C ATOM 647 CD2 LEU A 42 -0.071 1.544 5.103 1.00 0.00 C ATOM 0 H LEU A 42 -2.280 1.954 7.792 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.222 -0.455 6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.165 1.597 8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.916 0.507 7.385 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.012 2.720 6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.984 3.934 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.025 3.656 7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.021 2.655 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.141 2.322 4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.853 0.982 4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.923 0.870 5.012 1.00 0.00 H new ATOM 659 N SER A 43 -1.206 -0.152 10.071 1.00 0.00 N ATOM 660 CA SER A 43 -1.094 -0.904 11.317 1.00 0.00 C ATOM 661 C SER A 43 -2.219 -1.929 11.453 1.00 0.00 C ATOM 662 O SER A 43 -2.112 -2.877 12.232 1.00 0.00 O ATOM 663 CB SER A 43 -1.112 0.049 12.513 1.00 0.00 C ATOM 664 OG SER A 43 0.166 0.620 12.731 1.00 0.00 O ATOM 0 H SER A 43 -1.419 0.838 10.194 1.00 0.00 H new ATOM 0 HA SER A 43 -0.146 -1.441 11.297 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.842 0.840 12.341 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.430 -0.489 13.406 1.00 0.00 H new ATOM 0 HG SER A 43 0.127 1.226 13.500 1.00 0.00 H new ATOM 670 N SER A 44 -3.295 -1.736 10.696 1.00 0.00 N ATOM 671 CA SER A 44 -4.436 -2.645 10.742 1.00 0.00 C ATOM 672 C SER A 44 -4.039 -4.057 10.316 1.00 0.00 C ATOM 673 O SER A 44 -4.701 -5.030 10.676 1.00 0.00 O ATOM 674 CB SER A 44 -5.560 -2.130 9.845 1.00 0.00 C ATOM 675 OG SER A 44 -6.006 -0.852 10.266 1.00 0.00 O ATOM 0 H SER A 44 -3.401 -0.959 10.044 1.00 0.00 H new ATOM 0 HA SER A 44 -4.787 -2.686 11.773 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.210 -2.075 8.814 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.393 -2.833 9.862 1.00 0.00 H new ATOM 0 HG SER A 44 -6.486 -0.937 11.116 1.00 0.00 H new ATOM 681 N PHE A 45 -2.958 -4.165 9.546 1.00 0.00 N ATOM 682 CA PHE A 45 -2.482 -5.463 9.073 1.00 0.00 C ATOM 683 C PHE A 45 -2.383 -6.465 10.220 1.00 0.00 C ATOM 684 O PHE A 45 -1.531 -6.334 11.100 1.00 0.00 O ATOM 685 CB PHE A 45 -1.119 -5.314 8.393 1.00 0.00 C ATOM 686 CG PHE A 45 -1.195 -4.700 7.025 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.104 -5.168 6.089 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.356 -3.653 6.674 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.176 -4.603 4.829 1.00 0.00 C ATOM 690 CE2 PHE A 45 -0.424 -3.084 5.417 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.335 -3.560 4.493 1.00 0.00 C ATOM 0 H PHE A 45 -2.397 -3.371 9.237 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.204 -5.841 8.349 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.473 -4.701 9.022 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.651 -6.295 8.316 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.764 -5.983 6.347 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.359 -3.278 7.392 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.889 -4.977 4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.234 -2.268 5.157 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.389 -3.117 3.510 1.00 0.00 H new ATOM 762 N VAL A 51 -3.942 -14.665 5.031 1.00 0.00 N ATOM 763 CA VAL A 51 -4.148 -13.258 4.704 1.00 0.00 C ATOM 764 C VAL A 51 -2.815 -12.531 4.552 1.00 0.00 C ATOM 765 O VAL A 51 -2.120 -12.278 5.535 1.00 0.00 O ATOM 766 CB VAL A 51 -4.991 -12.541 5.777 1.00 0.00 C ATOM 767 CG1 VAL A 51 -6.474 -12.784 5.540 1.00 0.00 C ATOM 768 CG2 VAL A 51 -4.587 -12.994 7.173 1.00 0.00 C ATOM 0 HA VAL A 51 -4.688 -13.232 3.757 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.802 -11.470 5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.054 -12.270 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.753 -12.402 4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.679 -13.854 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.195 -12.475 7.914 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.741 -14.069 7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.535 -12.763 7.340 1.00 0.00 H new ATOM 778 N HIS A 52 -2.467 -12.199 3.313 1.00 0.00 N ATOM 779 CA HIS A 52 -1.217 -11.502 3.031 1.00 0.00 C ATOM 780 C HIS A 52 -1.437 -9.990 2.980 1.00 0.00 C ATOM 781 O HIS A 52 -2.349 -9.512 2.305 1.00 0.00 O ATOM 782 CB HIS A 52 -0.626 -11.990 1.706 1.00 0.00 C ATOM 783 CG HIS A 52 0.831 -12.324 1.787 1.00 0.00 C ATOM 784 ND1 HIS A 52 1.797 -11.663 1.058 1.00 0.00 N ATOM 785 CD2 HIS A 52 1.486 -13.257 2.519 1.00 0.00 C ATOM 786 CE1 HIS A 52 2.982 -12.176 1.336 1.00 0.00 C ATOM 787 NE2 HIS A 52 2.822 -13.143 2.219 1.00 0.00 N ATOM 0 H HIS A 52 -3.033 -12.401 2.489 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.516 -11.721 3.836 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.175 -12.872 1.376 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.772 -11.221 0.947 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.041 -13.959 3.209 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.923 -11.858 0.912 1.00 0.00 H new ATOM 0 HE2 HIS A 52 3.569 -13.714 2.615 1.00 0.00 H new ATOM 796 N PRO A 53 -0.605 -9.212 3.696 1.00 0.00 N ATOM 797 CA PRO A 53 -0.721 -7.752 3.725 1.00 0.00 C ATOM 798 C PRO A 53 -0.136 -7.096 2.479 1.00 0.00 C ATOM 799 O PRO A 53 0.953 -7.453 2.030 1.00 0.00 O ATOM 800 CB PRO A 53 0.089 -7.370 4.961 1.00 0.00 C ATOM 801 CG PRO A 53 1.138 -8.423 5.059 1.00 0.00 C ATOM 802 CD PRO A 53 0.512 -9.691 4.536 1.00 0.00 C ATOM 0 HA PRO A 53 -1.759 -7.422 3.753 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.530 -6.379 4.856 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.536 -7.348 5.854 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.017 -8.153 4.474 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.468 -8.549 6.090 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.224 -10.279 3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.158 -10.327 5.348 1.00 0.00 H new ATOM 810 N ILE A 54 -0.866 -6.132 1.929 1.00 0.00 N ATOM 811 CA ILE A 54 -0.424 -5.420 0.735 1.00 0.00 C ATOM 812 C ILE A 54 -0.841 -3.954 0.790 1.00 0.00 C ATOM 813 O ILE A 54 -1.849 -3.608 1.403 1.00 0.00 O ATOM 814 CB ILE A 54 -1.001 -6.047 -0.549 1.00 0.00 C ATOM 815 CG1 ILE A 54 -0.904 -7.574 -0.493 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.283 -5.506 -1.777 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.507 -8.106 -0.599 1.00 0.00 C ATOM 0 H ILE A 54 -1.769 -5.825 2.292 1.00 0.00 H new ATOM 0 HA ILE A 54 0.663 -5.496 0.711 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.054 -5.775 -0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.343 -7.921 0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.502 -7.995 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.704 -5.960 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.408 -4.424 -1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.778 -5.746 -1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.490 -9.195 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.944 -7.791 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.106 -7.716 0.224 1.00 0.00 H new ATOM 829 N VAL A 55 -0.062 -3.099 0.141 1.00 0.00 N ATOM 830 CA VAL A 55 -0.354 -1.672 0.109 1.00 0.00 C ATOM 831 C VAL A 55 -0.297 -1.145 -1.319 1.00 0.00 C ATOM 832 O VAL A 55 0.563 -1.549 -2.102 1.00 0.00 O ATOM 833 CB VAL A 55 0.635 -0.872 0.979 1.00 0.00 C ATOM 834 CG1 VAL A 55 0.208 0.585 1.073 1.00 0.00 C ATOM 835 CG2 VAL A 55 0.756 -1.494 2.364 1.00 0.00 C ATOM 0 H VAL A 55 0.778 -3.369 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.359 -1.541 0.510 1.00 0.00 H new ATOM 0 HB VAL A 55 1.616 -0.907 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.919 1.133 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.183 1.022 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.784 0.645 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.459 -0.915 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.220 -1.494 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.116 -2.519 2.272 1.00 0.00 H new ATOM 845 N VAL A 56 -1.215 -0.247 -1.660 1.00 0.00 N ATOM 846 CA VAL A 56 -1.250 0.320 -3.005 1.00 0.00 C ATOM 847 C VAL A 56 -0.940 1.813 -2.981 1.00 0.00 C ATOM 848 O VAL A 56 -1.035 2.461 -1.939 1.00 0.00 O ATOM 849 CB VAL A 56 -2.609 0.087 -3.706 1.00 0.00 C ATOM 850 CG1 VAL A 56 -2.456 -0.901 -4.852 1.00 0.00 C ATOM 851 CG2 VAL A 56 -3.666 -0.398 -2.722 1.00 0.00 C ATOM 0 H VAL A 56 -1.939 0.102 -1.031 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.481 -0.200 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.943 1.043 -4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.422 -1.052 -5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.746 -0.507 -5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.090 -1.852 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.609 -0.552 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.342 -1.338 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.804 0.348 -1.939 1.00 0.00 H new ATOM 861 N VAL A 57 -0.554 2.351 -4.136 1.00 0.00 N ATOM 862 CA VAL A 57 -0.215 3.766 -4.245 1.00 0.00 C ATOM 863 C VAL A 57 -0.467 4.295 -5.655 1.00 0.00 C ATOM 864 O VAL A 57 -0.939 3.567 -6.527 1.00 0.00 O ATOM 865 CB VAL A 57 1.262 4.006 -3.881 1.00 0.00 C ATOM 866 CG1 VAL A 57 1.468 3.897 -2.378 1.00 0.00 C ATOM 867 CG2 VAL A 57 2.159 3.028 -4.623 1.00 0.00 C ATOM 0 H VAL A 57 -0.469 1.828 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.857 4.300 -3.545 1.00 0.00 H new ATOM 0 HB VAL A 57 1.533 5.016 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.518 4.070 -2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.854 4.642 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.180 2.901 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.199 3.212 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.889 2.008 -4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.033 3.162 -5.697 1.00 0.00 H new ATOM 877 N GLN A 58 -0.143 5.570 -5.869 1.00 0.00 N ATOM 878 CA GLN A 58 -0.326 6.207 -7.172 1.00 0.00 C ATOM 879 C GLN A 58 0.000 7.699 -7.095 1.00 0.00 C ATOM 880 O GLN A 58 -0.855 8.508 -6.734 1.00 0.00 O ATOM 881 CB GLN A 58 -1.758 6.013 -7.678 1.00 0.00 C ATOM 882 CG GLN A 58 -1.831 5.568 -9.131 1.00 0.00 C ATOM 883 CD GLN A 58 -2.732 6.452 -9.970 1.00 0.00 C ATOM 884 OE1 GLN A 58 -4.034 6.193 -9.915 1.00 0.00 O flip ATOM 885 NE2 GLN A 58 -2.265 7.356 -10.662 1.00 0.00 N flip ATOM 0 H GLN A 58 0.249 6.183 -5.154 1.00 0.00 H new ATOM 0 HA GLN A 58 0.360 5.732 -7.874 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.259 5.273 -7.054 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.305 6.949 -7.565 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.828 5.570 -9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.194 4.541 -9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.258 7.520 -10.675 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.884 7.941 -11.223 1.00 0.00 H new ATOM 894 N PRO A 59 1.243 8.086 -7.436 1.00 0.00 N ATOM 895 CA PRO A 59 1.669 9.489 -7.400 1.00 0.00 C ATOM 896 C PRO A 59 0.993 10.328 -8.480 1.00 0.00 C ATOM 897 O PRO A 59 1.639 10.780 -9.426 1.00 0.00 O ATOM 898 CB PRO A 59 3.177 9.411 -7.647 1.00 0.00 C ATOM 899 CG PRO A 59 3.374 8.139 -8.394 1.00 0.00 C ATOM 900 CD PRO A 59 2.328 7.190 -7.878 1.00 0.00 C ATOM 0 HA PRO A 59 1.404 9.971 -6.459 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.528 10.267 -8.223 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.732 9.409 -6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.264 8.295 -9.467 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.376 7.742 -8.231 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.991 6.503 -8.654 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.707 6.582 -7.057 1.00 0.00 H new ATOM 908 N ASP A 60 -0.311 10.533 -8.331 1.00 0.00 N ATOM 909 CA ASP A 60 -1.077 11.319 -9.292 1.00 0.00 C ATOM 910 C ASP A 60 -1.876 12.408 -8.587 1.00 0.00 C ATOM 911 O ASP A 60 -1.528 13.588 -8.649 1.00 0.00 O ATOM 912 CB ASP A 60 -2.016 10.412 -10.092 1.00 0.00 C ATOM 913 CG ASP A 60 -1.846 10.580 -11.589 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.773 10.211 -12.110 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.787 11.083 -12.240 1.00 0.00 O ATOM 0 H ASP A 60 -0.860 10.166 -7.554 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.376 11.795 -9.977 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.829 9.372 -9.822 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.048 10.632 -9.819 1.00 0.00 H new ATOM 1054 N ALA A 70 8.253 8.254 1.714 1.00 0.00 N ATOM 1055 CA ALA A 70 8.272 7.518 2.971 1.00 0.00 C ATOM 1056 C ALA A 70 7.099 6.546 3.054 1.00 0.00 C ATOM 1057 O ALA A 70 6.542 6.320 4.129 1.00 0.00 O ATOM 1058 CB ALA A 70 8.245 8.483 4.147 1.00 0.00 C ATOM 0 HA ALA A 70 9.194 6.939 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.260 7.920 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.118 9.135 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.339 9.087 4.102 1.00 0.00 H new ATOM 1064 N ILE A 71 6.729 5.974 1.913 1.00 0.00 N ATOM 1065 CA ILE A 71 5.623 5.027 1.857 1.00 0.00 C ATOM 1066 C ILE A 71 6.009 3.695 2.494 1.00 0.00 C ATOM 1067 O ILE A 71 5.450 3.301 3.517 1.00 0.00 O ATOM 1068 CB ILE A 71 5.169 4.777 0.405 1.00 0.00 C ATOM 1069 CG1 ILE A 71 4.940 6.108 -0.316 1.00 0.00 C ATOM 1070 CG2 ILE A 71 3.905 3.929 0.381 1.00 0.00 C ATOM 1071 CD1 ILE A 71 3.821 6.935 0.281 1.00 0.00 C ATOM 0 H ILE A 71 7.179 6.150 1.015 1.00 0.00 H new ATOM 0 HA ILE A 71 4.798 5.470 2.416 1.00 0.00 H new ATOM 0 HB ILE A 71 5.956 4.232 -0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.862 6.688 -0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.715 5.910 -1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.598 3.762 -0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.101 2.970 0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.109 4.447 0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.716 7.864 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.888 6.374 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.053 7.164 1.321 1.00 0.00 H new ATOM 1083 N GLY A 72 6.967 3.007 1.881 1.00 0.00 N ATOM 1084 CA GLY A 72 7.411 1.728 2.402 1.00 0.00 C ATOM 1085 C GLY A 72 8.026 1.846 3.783 1.00 0.00 C ATOM 1086 O GLY A 72 8.009 0.892 4.561 1.00 0.00 O ATOM 0 H GLY A 72 7.444 3.313 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.565 1.042 2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.141 1.294 1.718 1.00 0.00 H new ATOM 1090 N GLN A 73 8.572 3.019 4.087 1.00 0.00 N ATOM 1091 CA GLN A 73 9.198 3.259 5.382 1.00 0.00 C ATOM 1092 C GLN A 73 8.149 3.479 6.470 1.00 0.00 C ATOM 1093 O GLN A 73 8.421 3.283 7.654 1.00 0.00 O ATOM 1094 CB GLN A 73 10.128 4.472 5.305 1.00 0.00 C ATOM 1095 CG GLN A 73 11.179 4.503 6.403 1.00 0.00 C ATOM 1096 CD GLN A 73 12.590 4.371 5.864 1.00 0.00 C ATOM 1097 OE1 GLN A 73 13.023 5.159 5.025 1.00 0.00 O ATOM 1098 NE2 GLN A 73 13.316 3.369 6.348 1.00 0.00 N ATOM 0 H GLN A 73 8.594 3.818 3.454 1.00 0.00 H new ATOM 0 HA GLN A 73 9.780 2.375 5.641 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.627 4.476 4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.530 5.382 5.360 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.092 5.437 6.958 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.986 3.694 7.108 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.916 2.739 7.043 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.273 3.230 6.024 1.00 0.00 H new ATOM 1107 N MET A 74 6.950 3.889 6.063 1.00 0.00 N ATOM 1108 CA MET A 74 5.868 4.136 7.009 1.00 0.00 C ATOM 1109 C MET A 74 4.985 2.902 7.163 1.00 0.00 C ATOM 1110 O MET A 74 4.607 2.533 8.274 1.00 0.00 O ATOM 1111 CB MET A 74 5.024 5.327 6.551 1.00 0.00 C ATOM 1112 CG MET A 74 5.574 6.671 7.004 1.00 0.00 C ATOM 1113 SD MET A 74 4.290 7.780 7.615 1.00 0.00 S ATOM 1114 CE MET A 74 3.390 8.120 6.103 1.00 0.00 C ATOM 0 H MET A 74 6.705 4.056 5.087 1.00 0.00 H new ATOM 0 HA MET A 74 6.312 4.365 7.978 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.958 5.318 5.463 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.010 5.211 6.933 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.313 6.510 7.789 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.092 7.146 6.171 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.520 8.737 6.328 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.039 8.648 5.404 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.063 7.182 5.656 1.00 0.00 H new ATOM 1124 N CYS A 75 4.657 2.269 6.042 1.00 0.00 N ATOM 1125 CA CYS A 75 3.816 1.077 6.056 1.00 0.00 C ATOM 1126 C CYS A 75 4.656 -0.180 6.258 1.00 0.00 C ATOM 1127 O CYS A 75 5.872 -0.163 6.064 1.00 0.00 O ATOM 1128 CB CYS A 75 3.021 0.971 4.754 1.00 0.00 C ATOM 1129 SG CYS A 75 4.043 0.746 3.279 1.00 0.00 S ATOM 0 H CYS A 75 4.960 2.561 5.113 1.00 0.00 H new ATOM 0 HA CYS A 75 3.120 1.164 6.891 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.326 0.135 4.832 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.421 1.873 4.633 1.00 0.00 H new ATOM 0 HG CYS A 75 4.927 1.697 3.214 1.00 0.00 H new ATOM 1135 N GLU A 76 4.000 -1.267 6.648 1.00 0.00 N ATOM 1136 CA GLU A 76 4.686 -2.534 6.875 1.00 0.00 C ATOM 1137 C GLU A 76 4.259 -3.576 5.845 1.00 0.00 C ATOM 1138 O GLU A 76 4.180 -4.766 6.147 1.00 0.00 O ATOM 1139 CB GLU A 76 4.397 -3.048 8.287 1.00 0.00 C ATOM 1140 CG GLU A 76 5.363 -4.125 8.752 1.00 0.00 C ATOM 1141 CD GLU A 76 4.840 -4.903 9.943 1.00 0.00 C ATOM 1142 OE1 GLU A 76 4.402 -4.265 10.923 1.00 0.00 O ATOM 1143 OE2 GLU A 76 4.870 -6.151 9.896 1.00 0.00 O ATOM 0 H GLU A 76 2.994 -1.297 6.814 1.00 0.00 H new ATOM 0 HA GLU A 76 5.757 -2.363 6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.436 -2.211 8.984 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.382 -3.443 8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.557 -4.814 7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.316 -3.665 9.013 1.00 0.00 H new ATOM 1150 N ALA A 77 3.983 -3.118 4.628 1.00 0.00 N ATOM 1151 CA ALA A 77 3.563 -4.009 3.554 1.00 0.00 C ATOM 1152 C ALA A 77 4.114 -3.545 2.208 1.00 0.00 C ATOM 1153 O ALA A 77 4.596 -2.420 2.079 1.00 0.00 O ATOM 1154 CB ALA A 77 2.045 -4.093 3.505 1.00 0.00 C ATOM 0 H ALA A 77 4.043 -2.135 4.362 1.00 0.00 H new ATOM 0 HA ALA A 77 3.965 -5.001 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.743 -4.762 2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.671 -4.477 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.631 -3.100 3.327 1.00 0.00 H new ATOM 1160 N PRO A 78 4.048 -4.411 1.182 1.00 0.00 N ATOM 1161 CA PRO A 78 4.542 -4.086 -0.161 1.00 0.00 C ATOM 1162 C PRO A 78 3.689 -3.027 -0.850 1.00 0.00 C ATOM 1163 O PRO A 78 2.472 -3.175 -0.968 1.00 0.00 O ATOM 1164 CB PRO A 78 4.444 -5.418 -0.908 1.00 0.00 C ATOM 1165 CG PRO A 78 3.372 -6.168 -0.198 1.00 0.00 C ATOM 1166 CD PRO A 78 3.487 -5.775 1.248 1.00 0.00 C ATOM 0 HA PRO A 78 5.549 -3.669 -0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.193 -5.266 -1.958 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.390 -5.958 -0.881 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.389 -5.915 -0.595 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.499 -7.243 -0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.518 -5.788 1.747 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.139 -6.453 1.799 1.00 0.00 H new ATOM 1174 N VAL A 79 4.334 -1.959 -1.305 1.00 0.00 N ATOM 1175 CA VAL A 79 3.635 -0.875 -1.985 1.00 0.00 C ATOM 1176 C VAL A 79 3.640 -1.085 -3.496 1.00 0.00 C ATOM 1177 O VAL A 79 4.699 -1.219 -4.106 1.00 0.00 O ATOM 1178 CB VAL A 79 4.275 0.489 -1.668 1.00 0.00 C ATOM 1179 CG1 VAL A 79 3.403 1.620 -2.188 1.00 0.00 C ATOM 1180 CG2 VAL A 79 4.513 0.634 -0.172 1.00 0.00 C ATOM 0 H VAL A 79 5.341 -1.820 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 79 2.608 -0.881 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 79 5.240 0.543 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.871 2.577 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.289 1.525 -3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.423 1.571 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.966 1.604 0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.563 0.559 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.181 -0.157 0.168 1.00 0.00 H new ATOM 1190 N VAL A 80 2.451 -1.112 -4.093 1.00 0.00 N ATOM 1191 CA VAL A 80 2.324 -1.306 -5.534 1.00 0.00 C ATOM 1192 C VAL A 80 1.214 -0.430 -6.104 1.00 0.00 C ATOM 1193 O VAL A 80 0.125 -0.358 -5.541 1.00 0.00 O ATOM 1194 CB VAL A 80 2.023 -2.778 -5.879 1.00 0.00 C ATOM 1195 CG1 VAL A 80 3.165 -3.678 -5.439 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.715 -3.220 -5.241 1.00 0.00 C ATOM 0 H VAL A 80 1.564 -1.002 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 80 3.278 -1.024 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 80 1.922 -2.861 -6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.932 -4.712 -5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.081 -3.378 -5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.303 -3.591 -4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.520 -4.262 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.786 -3.119 -4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.099 -2.597 -5.611 1.00 0.00 H new ATOM 1206 N THR A 81 1.484 0.231 -7.224 1.00 0.00 N ATOM 1207 CA THR A 81 0.482 1.094 -7.847 1.00 0.00 C ATOM 1208 C THR A 81 -0.808 0.317 -8.102 1.00 0.00 C ATOM 1209 O THR A 81 -0.804 -0.914 -8.137 1.00 0.00 O ATOM 1210 CB THR A 81 1.005 1.692 -9.159 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.795 0.802 -10.240 1.00 0.00 O ATOM 1212 CG2 THR A 81 2.480 2.036 -9.125 1.00 0.00 C ATOM 0 H THR A 81 2.377 0.189 -7.716 1.00 0.00 H new ATOM 0 HA THR A 81 0.272 1.913 -7.159 1.00 0.00 H new ATOM 0 HB THR A 81 0.440 2.615 -9.292 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.630 0.695 -10.743 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.778 2.454 -10.087 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.665 2.768 -8.338 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.059 1.135 -8.926 1.00 0.00 H new ATOM 1220 N ARG A 82 -1.913 1.039 -8.272 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.207 0.405 -8.513 1.00 0.00 C ATOM 1222 C ARG A 82 -3.151 -0.552 -9.703 1.00 0.00 C ATOM 1223 O ARG A 82 -4.002 -1.432 -9.835 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.301 1.455 -8.740 1.00 0.00 C ATOM 1225 CG ARG A 82 -3.831 2.692 -9.490 1.00 0.00 C ATOM 1226 CD ARG A 82 -4.750 3.023 -10.654 1.00 0.00 C ATOM 1227 NE ARG A 82 -4.223 2.536 -11.927 1.00 0.00 N ATOM 1228 CZ ARG A 82 -4.622 2.984 -13.114 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -5.552 3.927 -13.198 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -4.089 2.488 -14.224 1.00 0.00 N ATOM 0 H ARG A 82 -1.939 2.058 -8.248 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.452 -0.172 -7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.120 0.997 -9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.702 1.760 -7.774 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.790 3.539 -8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.818 2.531 -9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.731 2.583 -10.477 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.890 4.103 -10.709 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.507 1.810 -11.904 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.965 4.313 -12.349 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.853 4.266 -14.112 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.374 1.763 -14.167 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.395 2.832 -15.134 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.147 -0.382 -10.566 1.00 0.00 N ATOM 1245 CA GLU A 83 -1.994 -1.244 -11.737 1.00 0.00 C ATOM 1246 C GLU A 83 -2.167 -2.711 -11.358 1.00 0.00 C ATOM 1247 O GLU A 83 -2.799 -3.479 -12.082 1.00 0.00 O ATOM 1248 CB GLU A 83 -0.625 -1.028 -12.385 1.00 0.00 C ATOM 1249 CG GLU A 83 -0.608 0.094 -13.411 1.00 0.00 C ATOM 1250 CD GLU A 83 0.656 0.927 -13.344 1.00 0.00 C ATOM 1251 OE1 GLU A 83 1.755 0.353 -13.494 1.00 0.00 O ATOM 1252 OE2 GLU A 83 0.548 2.155 -13.140 1.00 0.00 O ATOM 0 H GLU A 83 -1.433 0.340 -10.476 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.770 -0.979 -12.455 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.106 -0.808 -11.607 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.310 -1.954 -12.866 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.706 -0.331 -14.410 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.472 0.739 -13.253 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.613 -3.090 -10.211 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.724 -4.462 -9.727 1.00 0.00 C ATOM 1261 C TRP A 84 -3.186 -4.840 -9.556 1.00 0.00 C ATOM 1262 O TRP A 84 -3.673 -5.806 -10.144 1.00 0.00 O ATOM 1263 CB TRP A 84 -1.012 -4.600 -8.383 1.00 0.00 C ATOM 1264 CG TRP A 84 -1.086 -5.981 -7.804 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.385 -7.082 -8.206 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -1.914 -6.407 -6.717 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.727 -8.166 -7.433 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.665 -7.776 -6.512 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.843 -5.760 -5.896 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -2.312 -8.510 -5.518 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.484 -6.489 -4.913 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -3.216 -7.851 -4.730 1.00 0.00 C ATOM 0 H TRP A 84 -1.084 -2.468 -9.600 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.261 -5.126 -10.457 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.035 -4.322 -8.506 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.448 -3.895 -7.676 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.333 -7.099 -9.013 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -0.345 -9.107 -7.529 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.056 -4.709 -6.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -2.107 -9.561 -5.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.205 -6.000 -4.274 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.733 -8.392 -3.951 1.00 0.00 H new ATOM 1283 N VAL A 85 -3.873 -4.056 -8.741 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.287 -4.274 -8.464 1.00 0.00 C ATOM 1285 C VAL A 85 -6.112 -4.252 -9.747 1.00 0.00 C ATOM 1286 O VAL A 85 -7.002 -5.079 -9.938 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.834 -3.212 -7.489 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.305 -3.457 -7.188 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.018 -3.196 -6.206 1.00 0.00 C ATOM 0 H VAL A 85 -3.471 -3.255 -8.255 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.373 -5.258 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.746 -2.235 -7.965 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.667 -2.695 -6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.878 -3.411 -8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.425 -4.442 -6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.418 -2.441 -5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.071 -4.175 -5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.979 -2.961 -6.438 1.00 0.00 H new ATOM 1299 N LEU A 86 -5.813 -3.300 -10.621 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.532 -3.172 -11.884 1.00 0.00 C ATOM 1301 C LEU A 86 -6.205 -4.333 -12.816 1.00 0.00 C ATOM 1302 O LEU A 86 -7.098 -5.047 -13.271 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.187 -1.843 -12.560 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.341 -1.185 -13.318 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -6.902 0.146 -13.908 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -7.857 -2.110 -14.410 1.00 0.00 C ATOM 0 H LEU A 86 -5.079 -2.606 -10.480 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.600 -3.194 -11.669 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.828 -1.149 -11.800 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.364 -2.009 -13.255 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.152 -0.997 -12.615 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.736 0.599 -14.444 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.581 0.811 -13.106 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.074 -0.017 -14.598 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.678 -1.626 -14.939 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.052 -2.329 -15.112 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.211 -3.039 -13.963 1.00 0.00 H new ATOM 1318 N ASP A 87 -4.919 -4.517 -13.093 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.473 -5.595 -13.968 1.00 0.00 C ATOM 1320 C ASP A 87 -4.923 -6.950 -13.432 1.00 0.00 C ATOM 1321 O ASP A 87 -5.166 -7.882 -14.198 1.00 0.00 O ATOM 1322 CB ASP A 87 -2.950 -5.567 -14.108 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.441 -6.605 -15.090 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -3.255 -7.122 -15.884 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.227 -6.901 -15.065 1.00 0.00 O ATOM 0 H ASP A 87 -4.167 -3.934 -12.725 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.923 -5.446 -14.949 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.636 -4.576 -14.436 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.495 -5.739 -13.133 1.00 0.00 H new ATOM 1330 N SER A 88 -5.030 -7.051 -12.110 1.00 0.00 N ATOM 1331 CA SER A 88 -5.451 -8.291 -11.471 1.00 0.00 C ATOM 1332 C SER A 88 -6.959 -8.486 -11.594 1.00 0.00 C ATOM 1333 O SER A 88 -7.424 -9.554 -11.985 1.00 0.00 O ATOM 1334 CB SER A 88 -5.044 -8.297 -9.997 1.00 0.00 C ATOM 1335 OG SER A 88 -3.634 -8.342 -9.856 1.00 0.00 O ATOM 0 H SER A 88 -4.831 -6.289 -11.462 1.00 0.00 H new ATOM 0 HA SER A 88 -4.954 -9.116 -11.981 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.433 -7.405 -9.506 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.490 -9.157 -9.497 1.00 0.00 H new ATOM 0 HG SER A 88 -3.257 -7.458 -10.050 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.719 -7.448 -11.255 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.174 -7.512 -11.329 1.00 0.00 C ATOM 1343 C VAL A 89 -9.658 -7.518 -12.778 1.00 0.00 C ATOM 1344 O VAL A 89 -10.728 -8.044 -13.081 1.00 0.00 O ATOM 1345 CB VAL A 89 -9.830 -6.332 -10.581 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.347 -6.450 -10.614 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.323 -6.263 -9.147 1.00 0.00 C ATOM 0 H VAL A 89 -7.352 -6.555 -10.927 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.471 -8.445 -10.850 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.553 -5.407 -11.087 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.789 -5.608 -10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.690 -6.445 -11.649 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.650 -7.382 -10.136 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.796 -5.425 -8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.568 -7.191 -8.629 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.242 -6.124 -9.150 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.865 -6.927 -13.668 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.219 -6.866 -15.081 1.00 0.00 C ATOM 1359 C ALA A 90 -9.208 -8.254 -15.712 1.00 0.00 C ATOM 1360 O ALA A 90 -10.196 -8.684 -16.308 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.268 -5.938 -15.822 1.00 0.00 C ATOM 0 H ALA A 90 -7.976 -6.485 -13.435 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.231 -6.470 -15.160 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.543 -5.901 -16.876 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.331 -4.937 -15.396 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.248 -6.310 -15.726 1.00 0.00 H new ATOM 1367 N LEU A 91 -8.085 -8.948 -15.579 1.00 0.00 N ATOM 1368 CA LEU A 91 -7.942 -10.289 -16.135 1.00 0.00 C ATOM 1369 C LEU A 91 -8.200 -11.361 -15.075 1.00 0.00 C ATOM 1370 O LEU A 91 -8.162 -12.556 -15.369 1.00 0.00 O ATOM 1371 CB LEU A 91 -6.541 -10.466 -16.727 1.00 0.00 C ATOM 1372 CG LEU A 91 -6.214 -11.878 -17.217 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -5.356 -11.824 -18.471 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -5.513 -12.671 -16.123 1.00 0.00 C ATOM 0 H LEU A 91 -7.258 -8.605 -15.090 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.685 -10.407 -16.923 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.426 -9.774 -17.561 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.807 -10.181 -15.973 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.148 -12.382 -17.464 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.134 -12.838 -18.804 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.893 -11.293 -19.257 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.424 -11.302 -18.252 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.287 -13.673 -16.488 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.586 -12.168 -15.846 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.163 -12.740 -15.251 1.00 0.00 H new ATOM 1386 N TYR A 92 -8.458 -10.931 -13.842 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.715 -11.859 -12.746 1.00 0.00 C ATOM 1388 C TYR A 92 -7.539 -12.812 -12.553 1.00 0.00 C ATOM 1389 O TYR A 92 -7.540 -13.927 -13.076 1.00 0.00 O ATOM 1390 CB TYR A 92 -9.997 -12.652 -13.011 1.00 0.00 C ATOM 1391 CG TYR A 92 -11.085 -12.408 -11.989 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.795 -12.352 -10.630 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -12.406 -12.233 -12.385 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -11.791 -12.130 -9.698 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -13.406 -12.010 -11.459 1.00 0.00 C ATOM 1396 CZ TYR A 92 -13.094 -11.959 -10.117 1.00 0.00 C ATOM 1397 OH TYR A 92 -14.087 -11.738 -9.191 1.00 0.00 O ATOM 0 H TYR A 92 -8.494 -9.946 -13.578 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.840 -11.279 -11.832 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.375 -12.394 -14.000 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.759 -13.716 -13.028 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.776 -12.484 -10.298 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.655 -12.272 -13.435 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.550 -12.091 -8.646 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.427 -11.876 -11.784 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.684 -11.543 -8.319 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.540 -12.367 -11.799 1.00 0.00 N ATOM 1408 CA GLN A 93 -5.359 -13.181 -11.536 1.00 0.00 C ATOM 1409 C GLN A 93 -4.397 -12.460 -10.597 1.00 0.00 C ATOM 1410 O GLN A 93 -4.191 -11.251 -10.713 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.648 -13.526 -12.846 1.00 0.00 C ATOM 1412 CG GLN A 93 -3.436 -14.426 -12.662 1.00 0.00 C ATOM 1413 CD GLN A 93 -3.298 -15.450 -13.771 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -4.219 -15.657 -14.561 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -2.141 -16.101 -13.834 1.00 0.00 N ATOM 0 H GLN A 93 -6.524 -11.447 -11.359 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.686 -14.103 -11.054 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.355 -14.015 -13.516 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.334 -12.603 -13.333 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.535 -13.813 -12.624 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.512 -14.941 -11.704 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.404 -15.898 -13.159 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.990 -16.804 -14.558 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.812 -13.207 -9.667 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.872 -12.638 -8.709 1.00 0.00 C ATOM 1426 C CYS A 94 -1.589 -12.194 -9.404 1.00 0.00 C ATOM 1427 O CYS A 94 -0.552 -12.849 -9.294 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.549 -13.655 -7.613 1.00 0.00 C ATOM 1429 SG CYS A 94 -1.498 -13.008 -6.293 1.00 0.00 S ATOM 0 H CYS A 94 -3.972 -14.208 -9.556 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.338 -11.763 -8.255 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.482 -14.013 -7.178 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.057 -14.516 -8.065 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.282 -13.941 -5.413 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.668 -11.079 -10.121 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.514 -10.544 -10.836 1.00 0.00 C ATOM 1437 C GLN A 95 0.641 -10.268 -9.879 1.00 0.00 C ATOM 1438 O GLN A 95 0.439 -10.117 -8.673 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.898 -9.260 -11.574 1.00 0.00 C ATOM 1440 CG GLN A 95 -1.148 -9.462 -13.058 1.00 0.00 C ATOM 1441 CD GLN A 95 -2.299 -10.411 -13.332 1.00 0.00 C ATOM 1442 OE1 GLN A 95 -2.178 -11.621 -13.140 1.00 0.00 O ATOM 1443 NE2 GLN A 95 -3.421 -9.866 -13.783 1.00 0.00 N ATOM 0 H GLN A 95 -2.520 -10.527 -10.223 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.189 -11.290 -11.561 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.795 -8.843 -11.117 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.103 -8.525 -11.445 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.358 -8.498 -13.522 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.243 -9.850 -13.526 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.476 -8.858 -13.927 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.229 -10.455 -13.985 1.00 0.00 H new ATOM 1452 N GLU A 96 1.851 -10.202 -10.422 1.00 0.00 N ATOM 1453 CA GLU A 96 3.036 -9.940 -9.614 1.00 0.00 C ATOM 1454 C GLU A 96 3.019 -8.512 -9.081 1.00 0.00 C ATOM 1455 O GLU A 96 2.444 -7.616 -9.698 1.00 0.00 O ATOM 1456 CB GLU A 96 4.304 -10.177 -10.437 1.00 0.00 C ATOM 1457 CG GLU A 96 4.450 -9.231 -11.617 1.00 0.00 C ATOM 1458 CD GLU A 96 5.109 -9.888 -12.814 1.00 0.00 C ATOM 1459 OE1 GLU A 96 6.214 -10.448 -12.649 1.00 0.00 O ATOM 1460 OE2 GLU A 96 4.521 -9.842 -13.914 1.00 0.00 O ATOM 0 H GLU A 96 2.037 -10.326 -11.417 1.00 0.00 H new ATOM 0 HA GLU A 96 3.031 -10.627 -8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.173 -10.071 -9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.303 -11.204 -10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.466 -8.862 -11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.038 -8.365 -11.313 1.00 0.00 H new ATOM 1467 N LEU A 97 3.648 -8.307 -7.930 1.00 0.00 N ATOM 1468 CA LEU A 97 3.698 -6.988 -7.312 1.00 0.00 C ATOM 1469 C LEU A 97 4.991 -6.263 -7.671 1.00 0.00 C ATOM 1470 O LEU A 97 5.008 -5.044 -7.829 1.00 0.00 O ATOM 1471 CB LEU A 97 3.576 -7.110 -5.791 1.00 0.00 C ATOM 1472 CG LEU A 97 2.144 -7.175 -5.261 1.00 0.00 C ATOM 1473 CD1 LEU A 97 1.658 -8.615 -5.208 1.00 0.00 C ATOM 1474 CD2 LEU A 97 2.055 -6.529 -3.887 1.00 0.00 C ATOM 0 H LEU A 97 4.130 -9.037 -7.406 1.00 0.00 H new ATOM 0 HA LEU A 97 2.859 -6.406 -7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.107 -8.006 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.079 -6.259 -5.332 1.00 0.00 H new ATOM 0 HG LEU A 97 1.499 -6.622 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.637 -8.641 -4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.684 -9.045 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.305 -9.193 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.028 -6.584 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.713 -7.054 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.360 -5.485 -3.955 1.00 0.00 H new ATOM 1486 N ASP A 98 6.074 -7.023 -7.795 1.00 0.00 N ATOM 1487 CA ASP A 98 7.376 -6.458 -8.130 1.00 0.00 C ATOM 1488 C ASP A 98 7.320 -5.652 -9.426 1.00 0.00 C ATOM 1489 O ASP A 98 8.128 -4.748 -9.640 1.00 0.00 O ATOM 1490 CB ASP A 98 8.420 -7.570 -8.256 1.00 0.00 C ATOM 1491 CG ASP A 98 9.126 -7.851 -6.945 1.00 0.00 C ATOM 1492 OD1 ASP A 98 8.461 -7.803 -5.889 1.00 0.00 O ATOM 1493 OD2 ASP A 98 10.345 -8.119 -6.973 1.00 0.00 O ATOM 0 H ASP A 98 6.075 -8.035 -7.668 1.00 0.00 H new ATOM 0 HA ASP A 98 7.661 -5.783 -7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.936 -8.481 -8.607 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.156 -7.290 -9.009 1.00 0.00 H new ATOM 1498 N THR A 99 6.366 -5.985 -10.291 1.00 0.00 N ATOM 1499 CA THR A 99 6.219 -5.290 -11.565 1.00 0.00 C ATOM 1500 C THR A 99 5.601 -3.905 -11.374 1.00 0.00 C ATOM 1501 O THR A 99 5.804 -3.010 -12.194 1.00 0.00 O ATOM 1502 CB THR A 99 5.368 -6.119 -12.529 1.00 0.00 C ATOM 1503 OG1 THR A 99 5.340 -5.523 -13.813 1.00 0.00 O ATOM 1504 CG2 THR A 99 3.937 -6.288 -12.071 1.00 0.00 C ATOM 0 H THR A 99 5.686 -6.729 -10.133 1.00 0.00 H new ATOM 0 HA THR A 99 7.214 -5.160 -11.991 1.00 0.00 H new ATOM 0 HB THR A 99 5.841 -7.101 -12.559 1.00 0.00 H new ATOM 0 HG1 THR A 99 4.522 -4.993 -13.910 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.390 -6.885 -12.800 1.00 0.00 H new ATOM 0 HG22 THR A 99 3.921 -6.791 -11.104 1.00 0.00 H new ATOM 0 HG23 THR A 99 3.467 -5.309 -11.978 1.00 0.00 H new ATOM 1512 N TYR A 100 4.852 -3.731 -10.288 1.00 0.00 N ATOM 1513 CA TYR A 100 4.216 -2.447 -9.998 1.00 0.00 C ATOM 1514 C TYR A 100 4.585 -1.953 -8.601 1.00 0.00 C ATOM 1515 O TYR A 100 3.942 -1.050 -8.068 1.00 0.00 O ATOM 1516 CB TYR A 100 2.693 -2.559 -10.109 1.00 0.00 C ATOM 1517 CG TYR A 100 2.219 -3.368 -11.294 1.00 0.00 C ATOM 1518 CD1 TYR A 100 2.605 -3.037 -12.587 1.00 0.00 C ATOM 1519 CD2 TYR A 100 1.379 -4.461 -11.120 1.00 0.00 C ATOM 1520 CE1 TYR A 100 2.168 -3.771 -13.673 1.00 0.00 C ATOM 1521 CE2 TYR A 100 0.938 -5.202 -12.201 1.00 0.00 C ATOM 1522 CZ TYR A 100 1.336 -4.853 -13.475 1.00 0.00 C ATOM 1523 OH TYR A 100 0.899 -5.588 -14.553 1.00 0.00 O ATOM 0 H TYR A 100 4.671 -4.459 -9.597 1.00 0.00 H new ATOM 0 HA TYR A 100 4.579 -1.730 -10.734 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.305 -3.010 -9.196 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.269 -1.557 -10.174 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.258 -2.191 -12.746 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.065 -4.736 -10.124 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.476 -3.499 -14.672 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.286 -6.049 -12.049 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.055 -5.785 -14.449 1.00 0.00 H new ATOM 1533 N LEU A 101 5.615 -2.550 -8.010 1.00 0.00 N ATOM 1534 CA LEU A 101 6.052 -2.168 -6.674 1.00 0.00 C ATOM 1535 C LEU A 101 6.922 -0.914 -6.712 1.00 0.00 C ATOM 1536 O LEU A 101 8.148 -1.000 -6.778 1.00 0.00 O ATOM 1537 CB LEU A 101 6.818 -3.318 -6.018 1.00 0.00 C ATOM 1538 CG LEU A 101 6.407 -3.636 -4.579 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.473 -5.134 -4.322 1.00 0.00 C ATOM 1540 CD2 LEU A 101 7.290 -2.886 -3.594 1.00 0.00 C ATOM 0 H LEU A 101 6.161 -3.299 -8.435 1.00 0.00 H new ATOM 0 HA LEU A 101 5.164 -1.946 -6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.685 -4.214 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.881 -3.079 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 101 5.377 -3.309 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.177 -5.340 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.798 -5.650 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.492 -5.486 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.983 -3.124 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.329 -3.182 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.192 -1.813 -3.761 1.00 0.00 H new