USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -127:sc= -0.195 (180deg=-0.551) USER MOD Single : A 16 HIS : no HE2:sc= -4.07! C(o=-4.1!,f=-4.6!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -37:sc= 0.518 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -121:sc= 1.94 USER MOD Single : A 51 ASN : amide:sc= -0.822 K(o=-0.82,f=-1.8) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 49:sc= 0.529 USER MOD Single : A 65 MET CE :methyl 139:sc= -0.414 (180deg=-3.47!) USER MOD Single : A 67 MET CE :methyl -169:sc= -0.341 (180deg=-0.888) USER MOD Single : A 70 ASN : amide:sc= -0.336 K(o=-0.34,f=-1.1) USER MOD Single : A 96 SER OG : rot 180:sc= 0.00173 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 100 TYR OH : rot 100:sc= 0.279 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.164 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -8.170 -0.820 8.910 1.00 0.00 N ATOM 67 CA LEU A 8 -7.132 -0.616 7.915 1.00 0.00 C ATOM 68 C LEU A 8 -5.886 -0.043 8.593 1.00 0.00 C ATOM 69 O LEU A 8 -4.764 -0.312 8.168 1.00 0.00 O ATOM 70 CB LEU A 8 -7.656 0.245 6.763 1.00 0.00 C ATOM 71 CG LEU A 8 -8.874 -0.303 6.017 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.390 0.709 4.992 1.00 0.00 C ATOM 73 CD2 LEU A 8 -8.563 -1.658 5.378 1.00 0.00 C ATOM 0 HA LEU A 8 -6.842 -1.566 7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.909 1.229 7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.848 0.387 6.045 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.673 -0.465 6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.256 0.295 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.677 1.629 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.605 0.926 4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.446 -2.025 4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.741 -1.547 4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.280 -2.370 6.154 1.00 0.00 H new ATOM 85 N HIS A 9 -6.126 0.737 9.637 1.00 0.00 N ATOM 86 CA HIS A 9 -5.037 1.351 10.379 1.00 0.00 C ATOM 87 C HIS A 9 -4.091 0.264 10.894 1.00 0.00 C ATOM 88 O HIS A 9 -2.873 0.395 10.786 1.00 0.00 O ATOM 89 CB HIS A 9 -5.578 2.245 11.496 1.00 0.00 C ATOM 90 CG HIS A 9 -4.658 3.383 11.871 1.00 0.00 C ATOM 91 ND1 HIS A 9 -3.775 3.314 12.935 1.00 0.00 N ATOM 92 CD2 HIS A 9 -4.493 4.616 11.313 1.00 0.00 C ATOM 93 CE1 HIS A 9 -3.115 4.460 13.005 1.00 0.00 C ATOM 94 NE2 HIS A 9 -3.561 5.266 11.999 1.00 0.00 N ATOM 0 H HIS A 9 -7.058 0.958 9.987 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.462 2.001 9.719 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.539 2.655 11.186 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.762 1.634 12.380 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.030 4.999 10.458 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.357 4.712 13.731 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.232 6.212 11.806 1.00 0.00 H new ATOM 102 N ARG A 10 -4.688 -0.783 11.443 1.00 0.00 N ATOM 103 CA ARG A 10 -3.914 -1.892 11.975 1.00 0.00 C ATOM 104 C ARG A 10 -3.135 -2.583 10.854 1.00 0.00 C ATOM 105 O ARG A 10 -2.147 -3.268 11.110 1.00 0.00 O ATOM 106 CB ARG A 10 -4.818 -2.915 12.665 1.00 0.00 C ATOM 107 CG ARG A 10 -5.504 -3.819 11.638 1.00 0.00 C ATOM 108 CD ARG A 10 -4.949 -5.243 11.705 1.00 0.00 C ATOM 109 NE ARG A 10 -6.010 -6.181 12.135 1.00 0.00 N ATOM 110 CZ ARG A 10 -5.775 -7.397 12.647 1.00 0.00 C ATOM 111 NH1 ARG A 10 -4.516 -7.831 12.795 1.00 0.00 N ATOM 112 NH2 ARG A 10 -6.800 -8.180 13.011 1.00 0.00 N ATOM 0 H ARG A 10 -5.699 -0.887 11.531 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.218 -1.487 12.709 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.229 -3.521 13.353 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.571 -2.398 13.260 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.578 -3.834 11.822 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.358 -3.414 10.637 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.565 -5.539 10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.112 -5.283 12.402 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.981 -5.883 12.035 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.735 -7.236 12.518 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.338 -8.757 13.185 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.759 -7.850 12.898 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.621 -9.106 13.401 1.00 0.00 H new ATOM 126 N ILE A 11 -3.611 -2.378 9.634 1.00 0.00 N ATOM 127 CA ILE A 11 -2.972 -2.973 8.472 1.00 0.00 C ATOM 128 C ILE A 11 -1.780 -2.110 8.054 1.00 0.00 C ATOM 129 O ILE A 11 -0.721 -2.633 7.711 1.00 0.00 O ATOM 130 CB ILE A 11 -3.993 -3.194 7.355 1.00 0.00 C ATOM 131 CG1 ILE A 11 -5.016 -4.261 7.750 1.00 0.00 C ATOM 132 CG2 ILE A 11 -3.296 -3.530 6.034 1.00 0.00 C ATOM 133 CD1 ILE A 11 -6.223 -4.239 6.810 1.00 0.00 C ATOM 0 H ILE A 11 -4.431 -1.809 9.425 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.581 -3.961 8.715 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.540 -2.264 7.204 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.548 -5.245 7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.346 -4.092 8.775 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.044 -3.682 5.256 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.639 -2.708 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.707 -4.439 6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.934 -5.007 7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.703 -3.261 6.857 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.893 -4.433 5.789 1.00 0.00 H new ATOM 145 N VAL A 12 -1.992 -0.803 8.096 1.00 0.00 N ATOM 146 CA VAL A 12 -0.948 0.137 7.725 1.00 0.00 C ATOM 147 C VAL A 12 0.253 -0.049 8.655 1.00 0.00 C ATOM 148 O VAL A 12 1.397 -0.058 8.202 1.00 0.00 O ATOM 149 CB VAL A 12 -1.500 1.564 7.740 1.00 0.00 C ATOM 150 CG1 VAL A 12 -0.395 2.582 7.448 1.00 0.00 C ATOM 151 CG2 VAL A 12 -2.658 1.714 6.752 1.00 0.00 C ATOM 0 H VAL A 12 -2.872 -0.373 8.381 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.605 -0.054 6.708 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.885 1.764 8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.814 3.588 7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.384 2.501 8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.033 2.383 6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.032 2.737 6.782 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.309 1.485 5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.459 1.027 7.023 1.00 0.00 H new ATOM 161 N ASP A 13 -0.048 -0.192 9.937 1.00 0.00 N ATOM 162 CA ASP A 13 0.993 -0.377 10.934 1.00 0.00 C ATOM 163 C ASP A 13 1.903 -1.530 10.506 1.00 0.00 C ATOM 164 O ASP A 13 3.122 -1.375 10.450 1.00 0.00 O ATOM 165 CB ASP A 13 0.393 -0.729 12.297 1.00 0.00 C ATOM 166 CG ASP A 13 -0.009 0.471 13.156 1.00 0.00 C ATOM 167 OD1 ASP A 13 -0.567 1.425 12.572 1.00 0.00 O ATOM 168 OD2 ASP A 13 0.252 0.408 14.377 1.00 0.00 O ATOM 0 H ASP A 13 -0.998 -0.184 10.309 1.00 0.00 H new ATOM 0 HA ASP A 13 1.552 0.555 11.016 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.486 -1.355 12.140 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.116 -1.328 12.851 1.00 0.00 H new ATOM 173 N LYS A 14 1.277 -2.661 10.216 1.00 0.00 N ATOM 174 CA LYS A 14 2.015 -3.839 9.795 1.00 0.00 C ATOM 175 C LYS A 14 2.872 -3.490 8.577 1.00 0.00 C ATOM 176 O LYS A 14 4.071 -3.767 8.556 1.00 0.00 O ATOM 177 CB LYS A 14 1.063 -5.013 9.561 1.00 0.00 C ATOM 178 CG LYS A 14 1.517 -6.251 10.338 1.00 0.00 C ATOM 179 CD LYS A 14 0.342 -6.900 11.072 1.00 0.00 C ATOM 180 CE LYS A 14 0.827 -7.714 12.273 1.00 0.00 C ATOM 181 NZ LYS A 14 -0.321 -8.162 13.093 1.00 0.00 N ATOM 0 H LYS A 14 0.266 -2.786 10.264 1.00 0.00 H new ATOM 0 HA LYS A 14 2.696 -4.163 10.582 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.055 -4.735 9.869 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.019 -5.243 8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.964 -6.971 9.653 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.289 -5.972 11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.352 -6.129 11.407 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.206 -7.547 10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.395 -8.578 11.929 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.502 -7.111 12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.026 -8.713 13.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.846 -7.333 13.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.950 -8.755 12.515 1.00 0.00 H new ATOM 195 N MET A 15 2.224 -2.888 7.590 1.00 0.00 N ATOM 196 CA MET A 15 2.911 -2.499 6.371 1.00 0.00 C ATOM 197 C MET A 15 4.124 -1.620 6.682 1.00 0.00 C ATOM 198 O MET A 15 5.185 -1.783 6.081 1.00 0.00 O ATOM 199 CB MET A 15 1.946 -1.734 5.462 1.00 0.00 C ATOM 200 CG MET A 15 0.690 -2.560 5.179 1.00 0.00 C ATOM 201 SD MET A 15 0.801 -3.305 3.561 1.00 0.00 S ATOM 202 CE MET A 15 -0.101 -2.100 2.602 1.00 0.00 C ATOM 0 H MET A 15 1.230 -2.660 7.610 1.00 0.00 H new ATOM 0 HA MET A 15 3.259 -3.402 5.869 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.667 -0.791 5.933 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.443 -1.487 4.524 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.575 -3.334 5.938 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.194 -1.924 5.236 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.888 -2.600 2.037 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.547 -1.363 3.270 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.580 -1.600 1.913 1.00 0.00 H new ATOM 212 N HIS A 16 3.927 -0.706 7.621 1.00 0.00 N ATOM 213 CA HIS A 16 4.992 0.199 8.020 1.00 0.00 C ATOM 214 C HIS A 16 6.231 -0.607 8.413 1.00 0.00 C ATOM 215 O HIS A 16 7.358 -0.163 8.201 1.00 0.00 O ATOM 216 CB HIS A 16 4.518 1.139 9.131 1.00 0.00 C ATOM 217 CG HIS A 16 3.727 2.326 8.636 1.00 0.00 C ATOM 218 ND1 HIS A 16 4.226 3.227 7.712 1.00 0.00 N ATOM 219 CD2 HIS A 16 2.467 2.748 8.945 1.00 0.00 C ATOM 220 CE1 HIS A 16 3.300 4.147 7.483 1.00 0.00 C ATOM 221 NE2 HIS A 16 2.211 3.849 8.249 1.00 0.00 N ATOM 0 H HIS A 16 3.046 -0.573 8.117 1.00 0.00 H new ATOM 0 HA HIS A 16 5.268 0.835 7.179 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.905 0.574 9.833 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.386 1.499 9.683 1.00 0.00 H new ATOM 0 HD1 HIS A 16 5.149 3.189 7.281 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.792 2.268 9.638 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.391 4.985 6.808 1.00 0.00 H new ATOM 229 N ASP A 17 5.980 -1.779 8.978 1.00 0.00 N ATOM 230 CA ASP A 17 7.062 -2.651 9.403 1.00 0.00 C ATOM 231 C ASP A 17 7.756 -3.233 8.170 1.00 0.00 C ATOM 232 O ASP A 17 7.222 -3.166 7.064 1.00 0.00 O ATOM 233 CB ASP A 17 6.532 -3.816 10.242 1.00 0.00 C ATOM 234 CG ASP A 17 7.561 -4.466 11.169 1.00 0.00 C ATOM 235 OD1 ASP A 17 8.470 -5.132 10.629 1.00 0.00 O ATOM 236 OD2 ASP A 17 7.415 -4.281 12.397 1.00 0.00 O ATOM 0 H ASP A 17 5.044 -2.145 9.151 1.00 0.00 H new ATOM 0 HA ASP A 17 7.756 -2.061 10.002 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.697 -3.460 10.844 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.138 -4.578 9.570 1.00 0.00 H new ATOM 241 N THR A 18 8.935 -3.792 8.402 1.00 0.00 N ATOM 242 CA THR A 18 9.707 -4.385 7.324 1.00 0.00 C ATOM 243 C THR A 18 9.846 -5.894 7.536 1.00 0.00 C ATOM 244 O THR A 18 9.912 -6.656 6.572 1.00 0.00 O ATOM 245 CB THR A 18 11.050 -3.656 7.248 1.00 0.00 C ATOM 246 OG1 THR A 18 11.678 -4.205 6.093 1.00 0.00 O ATOM 247 CG2 THR A 18 11.987 -4.034 8.397 1.00 0.00 C ATOM 0 H THR A 18 9.374 -3.847 9.321 1.00 0.00 H new ATOM 0 HA THR A 18 9.203 -4.268 6.365 1.00 0.00 H new ATOM 0 HB THR A 18 10.880 -2.579 7.258 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.555 -3.787 5.968 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.925 -3.489 8.296 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.519 -3.777 9.347 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.185 -5.106 8.368 1.00 0.00 H new ATOM 255 N SER A 19 9.886 -6.281 8.802 1.00 0.00 N ATOM 256 CA SER A 19 10.016 -7.685 9.152 1.00 0.00 C ATOM 257 C SER A 19 8.698 -8.414 8.886 1.00 0.00 C ATOM 258 O SER A 19 8.659 -9.373 8.116 1.00 0.00 O ATOM 259 CB SER A 19 10.428 -7.852 10.616 1.00 0.00 C ATOM 260 OG SER A 19 11.844 -7.873 10.773 1.00 0.00 O ATOM 0 H SER A 19 9.831 -5.646 9.599 1.00 0.00 H new ATOM 0 HA SER A 19 10.798 -8.121 8.531 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.010 -7.036 11.206 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.006 -8.777 11.008 1.00 0.00 H new ATOM 0 HG SER A 19 12.066 -7.979 11.721 1.00 0.00 H new ATOM 266 N THR A 20 7.649 -7.933 9.538 1.00 0.00 N ATOM 267 CA THR A 20 6.333 -8.528 9.381 1.00 0.00 C ATOM 268 C THR A 20 5.504 -7.730 8.371 1.00 0.00 C ATOM 269 O THR A 20 4.471 -8.202 7.900 1.00 0.00 O ATOM 270 CB THR A 20 5.685 -8.615 10.764 1.00 0.00 C ATOM 271 OG1 THR A 20 5.222 -7.291 11.015 1.00 0.00 O ATOM 272 CG2 THR A 20 6.708 -8.869 11.874 1.00 0.00 C ATOM 0 H THR A 20 7.684 -7.138 10.176 1.00 0.00 H new ATOM 0 HA THR A 20 6.401 -9.537 8.974 1.00 0.00 H new ATOM 0 HB THR A 20 4.940 -9.411 10.767 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.786 -7.258 11.892 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.196 -8.922 12.835 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.224 -9.810 11.685 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.433 -8.056 11.894 1.00 0.00 H new ATOM 280 N GLY A 21 5.989 -6.534 8.070 1.00 0.00 N ATOM 281 CA GLY A 21 5.306 -5.667 7.125 1.00 0.00 C ATOM 282 C GLY A 21 5.599 -6.088 5.683 1.00 0.00 C ATOM 283 O GLY A 21 6.200 -7.135 5.449 1.00 0.00 O ATOM 0 H GLY A 21 6.846 -6.145 8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.232 -5.701 7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.623 -4.635 7.278 1.00 0.00 H new ATOM 287 N ILE A 22 5.161 -5.249 4.755 1.00 0.00 N ATOM 288 CA ILE A 22 5.369 -5.521 3.343 1.00 0.00 C ATOM 289 C ILE A 22 6.852 -5.350 3.008 1.00 0.00 C ATOM 290 O ILE A 22 7.661 -5.059 3.887 1.00 0.00 O ATOM 291 CB ILE A 22 4.441 -4.655 2.489 1.00 0.00 C ATOM 292 CG1 ILE A 22 4.208 -5.290 1.117 1.00 0.00 C ATOM 293 CG2 ILE A 22 4.976 -3.226 2.376 1.00 0.00 C ATOM 294 CD1 ILE A 22 2.720 -5.292 0.759 1.00 0.00 C ATOM 0 H ILE A 22 4.663 -4.381 4.954 1.00 0.00 H new ATOM 0 HA ILE A 22 5.107 -6.553 3.111 1.00 0.00 H new ATOM 0 HB ILE A 22 3.473 -4.598 2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.767 -4.742 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.587 -6.312 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.298 -2.631 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.049 -2.785 3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.963 -3.242 1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.582 -5.749 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.167 -5.861 1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.350 -4.267 0.737 1.00 0.00 H new ATOM 306 N ARG A 23 7.163 -5.539 1.734 1.00 0.00 N ATOM 307 CA ARG A 23 8.535 -5.410 1.272 1.00 0.00 C ATOM 308 C ARG A 23 8.562 -5.012 -0.205 1.00 0.00 C ATOM 309 O ARG A 23 8.532 -5.872 -1.084 1.00 0.00 O ATOM 310 CB ARG A 23 9.304 -6.720 1.454 1.00 0.00 C ATOM 311 CG ARG A 23 9.486 -7.046 2.938 1.00 0.00 C ATOM 312 CD ARG A 23 10.759 -7.864 3.166 1.00 0.00 C ATOM 313 NE ARG A 23 10.411 -9.271 3.462 1.00 0.00 N ATOM 314 CZ ARG A 23 11.301 -10.206 3.824 1.00 0.00 C ATOM 315 NH1 ARG A 23 12.598 -9.888 3.936 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.894 -11.458 4.073 1.00 0.00 N ATOM 0 H ARG A 23 6.489 -5.780 1.007 1.00 0.00 H new ATOM 0 HA ARG A 23 9.014 -4.635 1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.768 -7.532 0.962 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.279 -6.644 0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.535 -6.122 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.622 -7.602 3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.395 -7.816 2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.330 -7.441 3.992 1.00 0.00 H new ATOM 0 HE ARG A 23 9.432 -9.547 3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.908 -8.935 3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.275 -10.599 4.211 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.907 -11.700 3.987 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.571 -12.169 4.348 1.00 0.00 H new ATOM 330 N PRO A 24 8.618 -3.673 -0.439 1.00 0.00 N ATOM 331 CA PRO A 24 8.650 -3.151 -1.794 1.00 0.00 C ATOM 332 C PRO A 24 10.027 -3.355 -2.429 1.00 0.00 C ATOM 333 O PRO A 24 11.048 -3.044 -1.818 1.00 0.00 O ATOM 334 CB PRO A 24 8.269 -1.685 -1.660 1.00 0.00 C ATOM 335 CG PRO A 24 8.492 -1.329 -0.199 1.00 0.00 C ATOM 336 CD PRO A 24 8.654 -2.625 0.577 1.00 0.00 C ATOM 0 HA PRO A 24 7.960 -3.669 -2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.881 -1.061 -2.312 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.230 -1.523 -1.947 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.379 -0.705 -0.089 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.649 -0.756 0.187 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.594 -2.641 1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.854 -2.753 1.306 1.00 0.00 H new ATOM 529 N THR A 37 8.431 0.403 -4.005 1.00 0.00 N ATOM 530 CA THR A 37 7.084 0.015 -4.388 1.00 0.00 C ATOM 531 C THR A 37 6.932 -1.506 -4.336 1.00 0.00 C ATOM 532 O THR A 37 7.915 -2.236 -4.457 1.00 0.00 O ATOM 533 CB THR A 37 6.795 0.608 -5.768 1.00 0.00 C ATOM 534 OG1 THR A 37 7.923 0.229 -6.552 1.00 0.00 O ATOM 535 CG2 THR A 37 6.839 2.138 -5.770 1.00 0.00 C ATOM 0 HA THR A 37 6.346 0.408 -3.689 1.00 0.00 H new ATOM 0 HB THR A 37 5.815 0.272 -6.108 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.733 0.273 -6.002 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.627 2.507 -6.774 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.092 2.524 -5.076 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.829 2.474 -5.462 1.00 0.00 H new ATOM 543 N PHE A 38 5.693 -1.940 -4.157 1.00 0.00 N ATOM 544 CA PHE A 38 5.400 -3.361 -4.088 1.00 0.00 C ATOM 545 C PHE A 38 4.361 -3.758 -5.138 1.00 0.00 C ATOM 546 O PHE A 38 3.412 -3.017 -5.389 1.00 0.00 O ATOM 547 CB PHE A 38 4.830 -3.633 -2.694 1.00 0.00 C ATOM 548 CG PHE A 38 3.639 -2.746 -2.326 1.00 0.00 C ATOM 549 CD1 PHE A 38 2.379 -3.120 -2.676 1.00 0.00 C ATOM 550 CD2 PHE A 38 3.840 -1.585 -1.647 1.00 0.00 C ATOM 551 CE1 PHE A 38 1.274 -2.297 -2.334 1.00 0.00 C ATOM 552 CE2 PHE A 38 2.735 -0.762 -1.305 1.00 0.00 C ATOM 553 CZ PHE A 38 1.475 -1.135 -1.655 1.00 0.00 C ATOM 0 H PHE A 38 4.880 -1.332 -4.058 1.00 0.00 H new ATOM 0 HA PHE A 38 6.306 -3.937 -4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.524 -4.678 -2.635 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.619 -3.490 -1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.219 -4.043 -3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.840 -1.289 -1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.274 -2.593 -2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.895 0.161 -0.767 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.634 -0.509 -1.394 1.00 0.00 H new ATOM 563 N LEU A 39 4.575 -4.927 -5.723 1.00 0.00 N ATOM 564 CA LEU A 39 3.668 -5.432 -6.741 1.00 0.00 C ATOM 565 C LEU A 39 2.284 -5.644 -6.124 1.00 0.00 C ATOM 566 O LEU A 39 2.170 -5.968 -4.943 1.00 0.00 O ATOM 567 CB LEU A 39 4.247 -6.686 -7.399 1.00 0.00 C ATOM 568 CG LEU A 39 5.717 -6.607 -7.817 1.00 0.00 C ATOM 569 CD1 LEU A 39 6.181 -7.925 -8.440 1.00 0.00 C ATOM 570 CD2 LEU A 39 5.959 -5.416 -8.746 1.00 0.00 C ATOM 0 H LEU A 39 5.363 -5.539 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 39 3.552 -4.704 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.131 -7.521 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.651 -6.917 -8.282 1.00 0.00 H new ATOM 0 HG LEU A 39 6.319 -6.445 -6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.229 -7.842 -8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.067 -8.730 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.578 -8.143 -9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.011 -5.383 -9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.346 -5.522 -9.641 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.692 -4.493 -8.231 1.00 0.00 H new ATOM 582 N GLY A 40 1.267 -5.452 -6.952 1.00 0.00 N ATOM 583 CA GLY A 40 -0.105 -5.618 -6.503 1.00 0.00 C ATOM 584 C GLY A 40 -0.322 -7.010 -5.906 1.00 0.00 C ATOM 585 O GLY A 40 -1.065 -7.166 -4.939 1.00 0.00 O ATOM 0 H GLY A 40 1.366 -5.183 -7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.342 -4.858 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.786 -5.467 -7.340 1.00 0.00 H new ATOM 589 N SER A 41 0.341 -7.987 -6.509 1.00 0.00 N ATOM 590 CA SER A 41 0.230 -9.361 -6.049 1.00 0.00 C ATOM 591 C SER A 41 0.879 -9.506 -4.672 1.00 0.00 C ATOM 592 O SER A 41 0.390 -10.253 -3.826 1.00 0.00 O ATOM 593 CB SER A 41 0.874 -10.328 -7.044 1.00 0.00 C ATOM 594 OG SER A 41 0.510 -11.681 -6.785 1.00 0.00 O ATOM 0 H SER A 41 0.956 -7.854 -7.312 1.00 0.00 H new ATOM 0 HA SER A 41 -0.828 -9.612 -5.973 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.574 -10.059 -8.057 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.958 -10.229 -6.996 1.00 0.00 H new ATOM 0 HG SER A 41 0.940 -12.267 -7.442 1.00 0.00 H new ATOM 600 N SER A 42 1.972 -8.780 -4.488 1.00 0.00 N ATOM 601 CA SER A 42 2.694 -8.818 -3.228 1.00 0.00 C ATOM 602 C SER A 42 1.773 -8.387 -2.084 1.00 0.00 C ATOM 603 O SER A 42 1.694 -9.061 -1.058 1.00 0.00 O ATOM 604 CB SER A 42 3.934 -7.924 -3.276 1.00 0.00 C ATOM 605 OG SER A 42 5.049 -8.523 -2.620 1.00 0.00 O ATOM 0 H SER A 42 2.375 -8.161 -5.192 1.00 0.00 H new ATOM 0 HA SER A 42 3.025 -9.842 -3.054 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.192 -7.718 -4.315 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.709 -6.966 -2.807 1.00 0.00 H new ATOM 0 HG SER A 42 5.822 -7.922 -2.674 1.00 0.00 H new ATOM 611 N LEU A 43 1.099 -7.267 -2.300 1.00 0.00 N ATOM 612 CA LEU A 43 0.187 -6.738 -1.300 1.00 0.00 C ATOM 613 C LEU A 43 -0.917 -7.762 -1.031 1.00 0.00 C ATOM 614 O LEU A 43 -1.150 -8.143 0.115 1.00 0.00 O ATOM 615 CB LEU A 43 -0.338 -5.365 -1.726 1.00 0.00 C ATOM 616 CG LEU A 43 -1.458 -4.779 -0.865 1.00 0.00 C ATOM 617 CD1 LEU A 43 -1.192 -5.022 0.622 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.669 -3.296 -1.175 1.00 0.00 C ATOM 0 H LEU A 43 1.166 -6.711 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 43 0.709 -6.575 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.496 -4.664 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.696 -5.438 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.385 -5.295 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.004 -4.595 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.132 -6.094 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.251 -4.550 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.471 -2.904 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.749 -2.747 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.938 -3.178 -2.225 1.00 0.00 H new ATOM 630 N VAL A 44 -1.568 -8.179 -2.107 1.00 0.00 N ATOM 631 CA VAL A 44 -2.643 -9.152 -2.002 1.00 0.00 C ATOM 632 C VAL A 44 -2.191 -10.310 -1.110 1.00 0.00 C ATOM 633 O VAL A 44 -2.681 -10.465 0.008 1.00 0.00 O ATOM 634 CB VAL A 44 -3.076 -9.606 -3.397 1.00 0.00 C ATOM 635 CG1 VAL A 44 -3.924 -10.877 -3.321 1.00 0.00 C ATOM 636 CG2 VAL A 44 -3.824 -8.491 -4.129 1.00 0.00 C ATOM 0 H VAL A 44 -1.372 -7.861 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.520 -8.704 -1.534 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.177 -9.837 -3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.219 -11.178 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.343 -11.675 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.815 -10.685 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.120 -8.840 -5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.712 -8.214 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.173 -7.622 -4.231 1.00 0.00 H new ATOM 646 N ASP A 45 -1.261 -11.093 -1.636 1.00 0.00 N ATOM 647 CA ASP A 45 -0.737 -12.232 -0.902 1.00 0.00 C ATOM 648 C ASP A 45 -0.420 -11.806 0.533 1.00 0.00 C ATOM 649 O ASP A 45 -0.778 -12.499 1.484 1.00 0.00 O ATOM 650 CB ASP A 45 0.554 -12.751 -1.537 1.00 0.00 C ATOM 651 CG ASP A 45 0.829 -14.240 -1.320 1.00 0.00 C ATOM 652 OD1 ASP A 45 0.188 -15.045 -2.029 1.00 0.00 O ATOM 653 OD2 ASP A 45 1.673 -14.540 -0.448 1.00 0.00 O ATOM 0 H ASP A 45 -0.856 -10.961 -2.563 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.490 -13.020 -0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.518 -12.556 -2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.392 -12.180 -1.138 1.00 0.00 H new ATOM 658 N TRP A 46 0.248 -10.667 0.644 1.00 0.00 N ATOM 659 CA TRP A 46 0.617 -10.140 1.947 1.00 0.00 C ATOM 660 C TRP A 46 -0.652 -10.046 2.796 1.00 0.00 C ATOM 661 O TRP A 46 -0.754 -10.688 3.840 1.00 0.00 O ATOM 662 CB TRP A 46 1.346 -8.802 1.811 1.00 0.00 C ATOM 663 CG TRP A 46 1.824 -8.216 3.141 1.00 0.00 C ATOM 664 CD1 TRP A 46 2.998 -8.416 3.756 1.00 0.00 C ATOM 665 CD2 TRP A 46 1.089 -7.319 3.999 1.00 0.00 C ATOM 666 NE1 TRP A 46 3.072 -7.718 4.944 1.00 0.00 N ATOM 667 CE2 TRP A 46 1.874 -7.029 5.096 1.00 0.00 C ATOM 668 CE3 TRP A 46 -0.198 -6.771 3.854 1.00 0.00 C ATOM 669 CZ2 TRP A 46 1.462 -6.182 6.132 1.00 0.00 C ATOM 670 CZ3 TRP A 46 -0.595 -5.927 4.898 1.00 0.00 C ATOM 671 CH2 TRP A 46 0.183 -5.625 6.009 1.00 0.00 C ATOM 0 H TRP A 46 0.543 -10.095 -0.147 1.00 0.00 H new ATOM 0 HA TRP A 46 1.321 -10.805 2.447 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.206 -8.933 1.154 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.682 -8.085 1.328 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.787 -9.045 3.370 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.860 -7.709 5.591 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.830 -6.984 3.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.096 -5.970 6.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.576 -5.479 4.835 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.197 -4.964 6.774 1.00 0.00 H new ATOM 682 N LEU A 47 -1.588 -9.241 2.316 1.00 0.00 N ATOM 683 CA LEU A 47 -2.847 -9.055 3.018 1.00 0.00 C ATOM 684 C LEU A 47 -3.360 -10.411 3.505 1.00 0.00 C ATOM 685 O LEU A 47 -3.644 -10.583 4.689 1.00 0.00 O ATOM 686 CB LEU A 47 -3.845 -8.299 2.138 1.00 0.00 C ATOM 687 CG LEU A 47 -3.739 -6.773 2.161 1.00 0.00 C ATOM 688 CD1 LEU A 47 -4.519 -6.152 1.001 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.182 -6.214 3.515 1.00 0.00 C ATOM 0 H LEU A 47 -1.500 -8.710 1.450 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.702 -8.433 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.720 -8.636 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.853 -8.578 2.445 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.692 -6.500 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.427 -5.067 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.116 -6.516 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.570 -6.430 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.097 -5.127 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.218 -6.495 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.547 -6.621 4.302 1.00 0.00 H new ATOM 701 N ILE A 48 -3.464 -11.340 2.566 1.00 0.00 N ATOM 702 CA ILE A 48 -3.938 -12.676 2.884 1.00 0.00 C ATOM 703 C ILE A 48 -3.061 -13.275 3.986 1.00 0.00 C ATOM 704 O ILE A 48 -3.557 -13.628 5.056 1.00 0.00 O ATOM 705 CB ILE A 48 -4.009 -13.535 1.620 1.00 0.00 C ATOM 706 CG1 ILE A 48 -4.907 -12.886 0.566 1.00 0.00 C ATOM 707 CG2 ILE A 48 -4.452 -14.962 1.951 1.00 0.00 C ATOM 708 CD1 ILE A 48 -4.716 -13.548 -0.800 1.00 0.00 C ATOM 0 H ILE A 48 -3.228 -11.194 1.585 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.956 -12.636 3.272 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.008 -13.599 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.950 -12.968 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.679 -11.823 0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.494 -15.552 1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.739 -15.414 2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.439 -14.939 2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.366 -13.068 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.677 -13.443 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.968 -14.606 -0.730 1.00 0.00 H new ATOM 720 N SER A 49 -1.774 -13.371 3.687 1.00 0.00 N ATOM 721 CA SER A 49 -0.824 -13.921 4.639 1.00 0.00 C ATOM 722 C SER A 49 -0.929 -13.177 5.972 1.00 0.00 C ATOM 723 O SER A 49 -0.627 -13.737 7.025 1.00 0.00 O ATOM 724 CB SER A 49 0.605 -13.842 4.098 1.00 0.00 C ATOM 725 OG SER A 49 1.574 -14.101 5.111 1.00 0.00 O ATOM 0 H SER A 49 -1.367 -13.077 2.799 1.00 0.00 H new ATOM 0 HA SER A 49 -1.067 -14.972 4.797 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.726 -14.561 3.288 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.778 -12.853 3.675 1.00 0.00 H new ATOM 0 HG SER A 49 2.473 -14.043 4.726 1.00 0.00 H new ATOM 731 N SER A 50 -1.357 -11.926 5.883 1.00 0.00 N ATOM 732 CA SER A 50 -1.505 -11.100 7.069 1.00 0.00 C ATOM 733 C SER A 50 -2.849 -11.387 7.742 1.00 0.00 C ATOM 734 O SER A 50 -3.237 -10.693 8.681 1.00 0.00 O ATOM 735 CB SER A 50 -1.391 -9.614 6.723 1.00 0.00 C ATOM 736 OG SER A 50 -0.663 -8.890 7.712 1.00 0.00 O ATOM 0 H SER A 50 -1.606 -11.465 5.008 1.00 0.00 H new ATOM 0 HA SER A 50 -0.700 -11.347 7.761 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.899 -9.503 5.757 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.389 -9.187 6.623 1.00 0.00 H new ATOM 0 HG SER A 50 -1.230 -8.182 8.083 1.00 0.00 H new ATOM 742 N ASN A 51 -3.522 -12.410 7.236 1.00 0.00 N ATOM 743 CA ASN A 51 -4.814 -12.796 7.776 1.00 0.00 C ATOM 744 C ASN A 51 -5.797 -11.635 7.617 1.00 0.00 C ATOM 745 O ASN A 51 -6.830 -11.595 8.283 1.00 0.00 O ATOM 746 CB ASN A 51 -4.711 -13.128 9.266 1.00 0.00 C ATOM 747 CG ASN A 51 -6.028 -13.702 9.792 1.00 0.00 C ATOM 748 OD1 ASN A 51 -6.821 -14.275 9.063 1.00 0.00 O ATOM 749 ND2 ASN A 51 -6.217 -13.516 11.096 1.00 0.00 N ATOM 0 H ASN A 51 -3.196 -12.983 6.458 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.157 -13.677 7.233 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.907 -13.846 9.428 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.453 -12.229 9.826 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.066 -13.862 11.543 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.513 -13.028 11.649 1.00 0.00 H new ATOM 756 N PHE A 52 -5.440 -10.717 6.730 1.00 0.00 N ATOM 757 CA PHE A 52 -6.278 -9.557 6.475 1.00 0.00 C ATOM 758 C PHE A 52 -7.272 -9.837 5.347 1.00 0.00 C ATOM 759 O PHE A 52 -8.256 -9.116 5.189 1.00 0.00 O ATOM 760 CB PHE A 52 -5.348 -8.419 6.050 1.00 0.00 C ATOM 761 CG PHE A 52 -4.393 -7.951 7.150 1.00 0.00 C ATOM 762 CD1 PHE A 52 -4.546 -8.407 8.422 1.00 0.00 C ATOM 763 CD2 PHE A 52 -3.392 -7.079 6.855 1.00 0.00 C ATOM 764 CE1 PHE A 52 -3.659 -7.973 9.443 1.00 0.00 C ATOM 765 CE2 PHE A 52 -2.505 -6.645 7.876 1.00 0.00 C ATOM 766 CZ PHE A 52 -2.658 -7.101 9.149 1.00 0.00 C ATOM 0 H PHE A 52 -4.582 -10.753 6.179 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.847 -9.304 7.370 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.763 -8.744 5.189 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.952 -7.573 5.724 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.342 -9.099 8.656 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.272 -6.717 5.845 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.780 -8.336 10.453 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.709 -5.953 7.642 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.984 -6.770 9.926 1.00 0.00 H new ATOM 776 N ALA A 53 -6.980 -10.885 4.590 1.00 0.00 N ATOM 777 CA ALA A 53 -7.837 -11.268 3.481 1.00 0.00 C ATOM 778 C ALA A 53 -8.046 -12.784 3.504 1.00 0.00 C ATOM 779 O ALA A 53 -7.197 -13.524 3.999 1.00 0.00 O ATOM 780 CB ALA A 53 -7.218 -10.785 2.167 1.00 0.00 C ATOM 0 H ALA A 53 -6.162 -11.480 4.723 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.816 -10.798 3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.861 -11.072 1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.117 -9.700 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.235 -11.238 2.040 1.00 0.00 H new ATOM 786 N ALA A 54 -9.181 -13.201 2.962 1.00 0.00 N ATOM 787 CA ALA A 54 -9.512 -14.615 2.915 1.00 0.00 C ATOM 788 C ALA A 54 -9.063 -15.194 1.572 1.00 0.00 C ATOM 789 O ALA A 54 -8.594 -16.330 1.508 1.00 0.00 O ATOM 790 CB ALA A 54 -11.012 -14.796 3.155 1.00 0.00 C ATOM 0 H ALA A 54 -9.883 -12.585 2.552 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.988 -15.159 3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.261 -15.857 3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.275 -14.394 4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.570 -14.267 2.383 1.00 0.00 H new ATOM 796 N SER A 55 -9.222 -14.388 0.533 1.00 0.00 N ATOM 797 CA SER A 55 -8.838 -14.807 -0.805 1.00 0.00 C ATOM 798 C SER A 55 -8.241 -13.626 -1.572 1.00 0.00 C ATOM 799 O SER A 55 -8.449 -12.472 -1.202 1.00 0.00 O ATOM 800 CB SER A 55 -10.033 -15.385 -1.565 1.00 0.00 C ATOM 801 OG SER A 55 -9.781 -16.708 -2.031 1.00 0.00 O ATOM 0 H SER A 55 -9.611 -13.447 0.590 1.00 0.00 H new ATOM 0 HA SER A 55 -8.086 -15.591 -0.716 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.908 -15.390 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.269 -14.741 -2.412 1.00 0.00 H new ATOM 0 HG SER A 55 -10.568 -17.042 -2.509 1.00 0.00 H new ATOM 807 N ARG A 56 -7.511 -13.955 -2.627 1.00 0.00 N ATOM 808 CA ARG A 56 -6.882 -12.936 -3.450 1.00 0.00 C ATOM 809 C ARG A 56 -7.822 -11.741 -3.625 1.00 0.00 C ATOM 810 O ARG A 56 -7.380 -10.593 -3.615 1.00 0.00 O ATOM 811 CB ARG A 56 -6.512 -13.490 -4.827 1.00 0.00 C ATOM 812 CG ARG A 56 -5.018 -13.812 -4.906 1.00 0.00 C ATOM 813 CD ARG A 56 -4.779 -15.322 -4.853 1.00 0.00 C ATOM 814 NE ARG A 56 -3.417 -15.636 -5.339 1.00 0.00 N ATOM 815 CZ ARG A 56 -2.778 -16.788 -5.093 1.00 0.00 C ATOM 816 NH1 ARG A 56 -3.374 -17.742 -4.364 1.00 0.00 N ATOM 817 NH2 ARG A 56 -1.543 -16.985 -5.575 1.00 0.00 N ATOM 0 H ARG A 56 -7.341 -14.914 -2.931 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.971 -12.616 -2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.093 -14.390 -5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.772 -12.764 -5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.603 -13.407 -5.829 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.494 -13.328 -4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.902 -15.682 -3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.520 -15.837 -5.464 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.934 -14.931 -5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.314 -17.591 -3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.888 -18.619 -4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.090 -16.258 -6.129 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.056 -17.862 -5.388 1.00 0.00 H new ATOM 831 N LEU A 57 -9.100 -12.052 -3.780 1.00 0.00 N ATOM 832 CA LEU A 57 -10.106 -11.018 -3.957 1.00 0.00 C ATOM 833 C LEU A 57 -10.072 -10.069 -2.757 1.00 0.00 C ATOM 834 O LEU A 57 -9.719 -8.899 -2.896 1.00 0.00 O ATOM 835 CB LEU A 57 -11.479 -11.644 -4.207 1.00 0.00 C ATOM 836 CG LEU A 57 -12.393 -10.890 -5.176 1.00 0.00 C ATOM 837 CD1 LEU A 57 -13.068 -9.705 -4.483 1.00 0.00 C ATOM 838 CD2 LEU A 57 -11.628 -10.461 -6.430 1.00 0.00 C ATOM 0 H LEU A 57 -9.463 -13.005 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.887 -10.421 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.332 -12.654 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.994 -11.737 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.184 -11.568 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.712 -9.186 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.667 -10.066 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.307 -9.017 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.300 -9.927 -7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.803 -9.807 -6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.235 -11.343 -6.936 1.00 0.00 H new ATOM 850 N GLU A 58 -10.443 -10.609 -1.605 1.00 0.00 N ATOM 851 CA GLU A 58 -10.459 -9.826 -0.382 1.00 0.00 C ATOM 852 C GLU A 58 -9.229 -8.918 -0.316 1.00 0.00 C ATOM 853 O GLU A 58 -9.340 -7.739 0.014 1.00 0.00 O ATOM 854 CB GLU A 58 -10.538 -10.732 0.849 1.00 0.00 C ATOM 855 CG GLU A 58 -11.910 -11.402 0.949 1.00 0.00 C ATOM 856 CD GLU A 58 -13.024 -10.431 0.553 1.00 0.00 C ATOM 857 OE1 GLU A 58 -13.488 -9.701 1.456 1.00 0.00 O ATOM 858 OE2 GLU A 58 -13.388 -10.442 -0.643 1.00 0.00 O ATOM 0 H GLU A 58 -10.735 -11.580 -1.493 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.350 -9.198 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.760 -11.494 0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.349 -10.147 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.939 -12.278 0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.074 -11.753 1.968 1.00 0.00 H new ATOM 865 N ALA A 59 -8.084 -9.503 -0.637 1.00 0.00 N ATOM 866 CA ALA A 59 -6.834 -8.761 -0.619 1.00 0.00 C ATOM 867 C ALA A 59 -6.920 -7.603 -1.614 1.00 0.00 C ATOM 868 O ALA A 59 -6.520 -6.482 -1.303 1.00 0.00 O ATOM 869 CB ALA A 59 -5.674 -9.710 -0.926 1.00 0.00 C ATOM 0 H ALA A 59 -7.995 -10.482 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.654 -8.334 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.736 -9.155 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.640 -10.498 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.818 -10.155 -1.911 1.00 0.00 H new ATOM 875 N VAL A 60 -7.443 -7.912 -2.791 1.00 0.00 N ATOM 876 CA VAL A 60 -7.585 -6.911 -3.834 1.00 0.00 C ATOM 877 C VAL A 60 -8.450 -5.760 -3.315 1.00 0.00 C ATOM 878 O VAL A 60 -8.165 -4.594 -3.585 1.00 0.00 O ATOM 879 CB VAL A 60 -8.146 -7.554 -5.104 1.00 0.00 C ATOM 880 CG1 VAL A 60 -8.651 -6.489 -6.080 1.00 0.00 C ATOM 881 CG2 VAL A 60 -7.104 -8.456 -5.768 1.00 0.00 C ATOM 0 H VAL A 60 -7.774 -8.843 -3.046 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.613 -6.495 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.994 -8.176 -4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.045 -6.972 -6.974 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.440 -5.906 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.828 -5.829 -6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.528 -8.901 -6.668 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.227 -7.865 -6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.813 -9.246 -5.076 1.00 0.00 H new ATOM 891 N THR A 61 -9.488 -6.127 -2.578 1.00 0.00 N ATOM 892 CA THR A 61 -10.396 -5.140 -2.019 1.00 0.00 C ATOM 893 C THR A 61 -9.726 -4.395 -0.862 1.00 0.00 C ATOM 894 O THR A 61 -9.873 -3.181 -0.734 1.00 0.00 O ATOM 895 CB THR A 61 -11.684 -5.859 -1.614 1.00 0.00 C ATOM 896 OG1 THR A 61 -12.721 -5.039 -2.148 1.00 0.00 O ATOM 897 CG2 THR A 61 -11.924 -5.826 -0.103 1.00 0.00 C ATOM 0 H THR A 61 -9.720 -7.095 -2.355 1.00 0.00 H new ATOM 0 HA THR A 61 -10.651 -4.375 -2.753 1.00 0.00 H new ATOM 0 HB THR A 61 -11.643 -6.894 -1.952 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.592 -5.432 -1.933 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.851 -6.350 0.130 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.094 -6.313 0.408 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.999 -4.791 0.231 1.00 0.00 H new ATOM 905 N LEU A 62 -9.006 -5.154 -0.050 1.00 0.00 N ATOM 906 CA LEU A 62 -8.313 -4.581 1.092 1.00 0.00 C ATOM 907 C LEU A 62 -7.242 -3.607 0.597 1.00 0.00 C ATOM 908 O LEU A 62 -6.978 -2.591 1.238 1.00 0.00 O ATOM 909 CB LEU A 62 -7.768 -5.687 1.998 1.00 0.00 C ATOM 910 CG LEU A 62 -8.586 -5.989 3.254 1.00 0.00 C ATOM 911 CD1 LEU A 62 -9.157 -7.408 3.209 1.00 0.00 C ATOM 912 CD2 LEU A 62 -7.761 -5.744 4.519 1.00 0.00 C ATOM 0 H LEU A 62 -8.887 -6.161 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.005 -4.008 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.688 -6.603 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.758 -5.414 2.303 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.432 -5.302 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.734 -7.597 4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.804 -7.513 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.340 -8.127 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.367 -5.966 5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.883 -6.389 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.445 -4.701 4.551 1.00 0.00 H new ATOM 924 N ALA A 63 -6.655 -3.951 -0.540 1.00 0.00 N ATOM 925 CA ALA A 63 -5.618 -3.120 -1.128 1.00 0.00 C ATOM 926 C ALA A 63 -6.217 -1.767 -1.520 1.00 0.00 C ATOM 927 O ALA A 63 -5.800 -0.729 -1.009 1.00 0.00 O ATOM 928 CB ALA A 63 -4.994 -3.849 -2.320 1.00 0.00 C ATOM 0 H ALA A 63 -6.878 -4.794 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.822 -2.932 -0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.216 -3.226 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.558 -4.790 -1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.763 -4.052 -3.066 1.00 0.00 H new ATOM 934 N SER A 64 -7.184 -1.824 -2.424 1.00 0.00 N ATOM 935 CA SER A 64 -7.844 -0.616 -2.890 1.00 0.00 C ATOM 936 C SER A 64 -8.267 0.243 -1.697 1.00 0.00 C ATOM 937 O SER A 64 -8.043 1.452 -1.688 1.00 0.00 O ATOM 938 CB SER A 64 -9.058 -0.952 -3.759 1.00 0.00 C ATOM 939 OG SER A 64 -9.563 -2.257 -3.489 1.00 0.00 O ATOM 0 H SER A 64 -7.526 -2.687 -2.846 1.00 0.00 H new ATOM 0 HA SER A 64 -7.137 -0.055 -3.501 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.843 -0.216 -3.585 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.782 -0.881 -4.811 1.00 0.00 H new ATOM 0 HG SER A 64 -9.674 -2.371 -2.522 1.00 0.00 H new ATOM 945 N MET A 65 -8.872 -0.415 -0.719 1.00 0.00 N ATOM 946 CA MET A 65 -9.329 0.273 0.476 1.00 0.00 C ATOM 947 C MET A 65 -8.213 1.134 1.073 1.00 0.00 C ATOM 948 O MET A 65 -8.415 2.316 1.346 1.00 0.00 O ATOM 949 CB MET A 65 -9.791 -0.754 1.512 1.00 0.00 C ATOM 950 CG MET A 65 -11.193 -1.270 1.185 1.00 0.00 C ATOM 951 SD MET A 65 -12.280 -1.008 2.576 1.00 0.00 S ATOM 952 CE MET A 65 -11.795 -2.378 3.612 1.00 0.00 C ATOM 0 H MET A 65 -9.056 -1.418 -0.730 1.00 0.00 H new ATOM 0 HA MET A 65 -10.159 0.925 0.203 1.00 0.00 H new ATOM 0 HB2 MET A 65 -9.090 -1.588 1.540 1.00 0.00 H new ATOM 0 HB3 MET A 65 -9.788 -0.302 2.504 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.583 -0.756 0.306 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.151 -2.331 0.941 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.745 -2.049 4.650 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.527 -3.181 3.520 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.816 -2.742 3.299 1.00 0.00 H new ATOM 962 N LEU A 66 -7.060 0.508 1.257 1.00 0.00 N ATOM 963 CA LEU A 66 -5.913 1.202 1.816 1.00 0.00 C ATOM 964 C LEU A 66 -5.618 2.448 0.978 1.00 0.00 C ATOM 965 O LEU A 66 -5.440 3.537 1.521 1.00 0.00 O ATOM 966 CB LEU A 66 -4.721 0.251 1.943 1.00 0.00 C ATOM 967 CG LEU A 66 -4.957 -1.013 2.773 1.00 0.00 C ATOM 968 CD1 LEU A 66 -4.161 -2.193 2.214 1.00 0.00 C ATOM 969 CD2 LEU A 66 -4.650 -0.763 4.251 1.00 0.00 C ATOM 0 H LEU A 66 -6.896 -0.472 1.029 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.130 1.542 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.412 -0.048 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.888 0.800 2.383 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.013 -1.275 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.347 -3.078 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.471 -2.387 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.097 -1.956 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.826 -1.677 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.608 -0.463 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.297 0.029 4.628 1.00 0.00 H new ATOM 981 N MET A 67 -5.576 2.246 -0.331 1.00 0.00 N ATOM 982 CA MET A 67 -5.305 3.339 -1.249 1.00 0.00 C ATOM 983 C MET A 67 -6.270 4.504 -1.013 1.00 0.00 C ATOM 984 O MET A 67 -5.879 5.666 -1.104 1.00 0.00 O ATOM 985 CB MET A 67 -5.446 2.843 -2.689 1.00 0.00 C ATOM 986 CG MET A 67 -4.166 2.148 -3.157 1.00 0.00 C ATOM 987 SD MET A 67 -3.971 2.349 -4.920 1.00 0.00 S ATOM 988 CE MET A 67 -5.585 1.822 -5.472 1.00 0.00 C ATOM 0 H MET A 67 -5.725 1.341 -0.778 1.00 0.00 H new ATOM 0 HA MET A 67 -4.289 3.692 -1.075 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.286 2.152 -2.759 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.669 3.683 -3.347 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.304 2.567 -2.637 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.205 1.088 -2.906 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.577 1.698 -6.555 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.839 0.873 -5.000 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.326 2.573 -5.199 1.00 0.00 H new ATOM 998 N GLU A 68 -7.511 4.151 -0.714 1.00 0.00 N ATOM 999 CA GLU A 68 -8.535 5.152 -0.465 1.00 0.00 C ATOM 1000 C GLU A 68 -8.203 5.946 0.800 1.00 0.00 C ATOM 1001 O GLU A 68 -8.352 7.166 0.828 1.00 0.00 O ATOM 1002 CB GLU A 68 -9.918 4.507 -0.362 1.00 0.00 C ATOM 1003 CG GLU A 68 -10.793 4.891 -1.557 1.00 0.00 C ATOM 1004 CD GLU A 68 -11.861 5.908 -1.151 1.00 0.00 C ATOM 1005 OE1 GLU A 68 -12.643 5.575 -0.235 1.00 0.00 O ATOM 1006 OE2 GLU A 68 -11.871 6.996 -1.766 1.00 0.00 O ATOM 0 H GLU A 68 -7.831 3.186 -0.638 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.555 5.842 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.815 3.423 -0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.402 4.821 0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.171 5.308 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.271 4.000 -1.964 1.00 0.00 H new ATOM 1013 N GLU A 69 -7.761 5.220 1.817 1.00 0.00 N ATOM 1014 CA GLU A 69 -7.407 5.841 3.082 1.00 0.00 C ATOM 1015 C GLU A 69 -6.154 6.705 2.917 1.00 0.00 C ATOM 1016 O GLU A 69 -5.749 7.400 3.847 1.00 0.00 O ATOM 1017 CB GLU A 69 -7.208 4.788 4.173 1.00 0.00 C ATOM 1018 CG GLU A 69 -8.553 4.274 4.691 1.00 0.00 C ATOM 1019 CD GLU A 69 -8.661 4.452 6.206 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -8.816 5.617 6.631 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -8.587 3.419 6.906 1.00 0.00 O ATOM 0 H GLU A 69 -7.640 4.208 1.790 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.230 6.485 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.624 3.956 3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.637 5.216 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.365 4.810 4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.666 3.220 4.436 1.00 0.00 H new ATOM 1028 N ASN A 70 -5.576 6.632 1.727 1.00 0.00 N ATOM 1029 CA ASN A 70 -4.378 7.398 1.429 1.00 0.00 C ATOM 1030 C ASN A 70 -3.157 6.665 1.989 1.00 0.00 C ATOM 1031 O ASN A 70 -2.108 7.271 2.201 1.00 0.00 O ATOM 1032 CB ASN A 70 -4.435 8.783 2.076 1.00 0.00 C ATOM 1033 CG ASN A 70 -3.946 9.861 1.106 1.00 0.00 C ATOM 1034 OD1 ASN A 70 -2.764 10.004 0.841 1.00 0.00 O ATOM 1035 ND2 ASN A 70 -4.919 10.609 0.594 1.00 0.00 N ATOM 0 H ASN A 70 -5.915 6.054 0.958 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.308 7.508 0.347 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.457 9.003 2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.821 8.793 2.977 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.696 11.356 -0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.889 10.436 0.859 1.00 0.00 H new ATOM 1042 N PHE A 71 -3.335 5.371 2.212 1.00 0.00 N ATOM 1043 CA PHE A 71 -2.260 4.549 2.743 1.00 0.00 C ATOM 1044 C PHE A 71 -1.369 4.018 1.618 1.00 0.00 C ATOM 1045 O PHE A 71 -0.253 3.566 1.867 1.00 0.00 O ATOM 1046 CB PHE A 71 -2.915 3.366 3.460 1.00 0.00 C ATOM 1047 CG PHE A 71 -3.778 3.766 4.658 1.00 0.00 C ATOM 1048 CD1 PHE A 71 -3.450 4.859 5.398 1.00 0.00 C ATOM 1049 CD2 PHE A 71 -4.874 3.028 4.983 1.00 0.00 C ATOM 1050 CE1 PHE A 71 -4.252 5.230 6.510 1.00 0.00 C ATOM 1051 CE2 PHE A 71 -5.675 3.400 6.095 1.00 0.00 C ATOM 1052 CZ PHE A 71 -5.347 4.493 6.835 1.00 0.00 C ATOM 0 H PHE A 71 -4.207 4.872 2.035 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.637 5.139 3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.532 2.819 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.136 2.683 3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.580 5.445 5.140 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.135 2.160 4.396 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.992 6.098 7.098 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.545 2.815 6.353 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.956 4.775 7.681 1.00 0.00 H new ATOM 1062 N LEU A 72 -1.897 4.090 0.405 1.00 0.00 N ATOM 1063 CA LEU A 72 -1.163 3.622 -0.759 1.00 0.00 C ATOM 1064 C LEU A 72 -1.741 4.274 -2.017 1.00 0.00 C ATOM 1065 O LEU A 72 -2.759 4.961 -1.953 1.00 0.00 O ATOM 1066 CB LEU A 72 -1.155 2.093 -0.808 1.00 0.00 C ATOM 1067 CG LEU A 72 -2.275 1.391 -0.038 1.00 0.00 C ATOM 1068 CD1 LEU A 72 -2.921 0.294 -0.887 1.00 0.00 C ATOM 1069 CD2 LEU A 72 -1.767 0.854 1.301 1.00 0.00 C ATOM 0 H LEU A 72 -2.824 4.465 0.203 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.117 3.922 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.209 1.783 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.199 1.742 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.049 2.126 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.714 -0.189 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.342 0.734 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.168 -0.446 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.583 0.360 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.963 0.139 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.392 1.680 1.906 1.00 0.00 H new ATOM 1081 N ARG A 73 -1.065 4.037 -3.132 1.00 0.00 N ATOM 1082 CA ARG A 73 -1.498 4.593 -4.402 1.00 0.00 C ATOM 1083 C ARG A 73 -1.028 3.707 -5.557 1.00 0.00 C ATOM 1084 O ARG A 73 -0.058 2.963 -5.419 1.00 0.00 O ATOM 1085 CB ARG A 73 -0.951 6.008 -4.599 1.00 0.00 C ATOM 1086 CG ARG A 73 0.553 6.059 -4.319 1.00 0.00 C ATOM 1087 CD ARG A 73 0.833 6.638 -2.931 1.00 0.00 C ATOM 1088 NE ARG A 73 2.152 7.308 -2.919 1.00 0.00 N ATOM 1089 CZ ARG A 73 2.430 8.433 -3.592 1.00 0.00 C ATOM 1090 NH1 ARG A 73 1.483 9.021 -4.335 1.00 0.00 N ATOM 1091 NH2 ARG A 73 3.656 8.970 -3.522 1.00 0.00 N ATOM 0 H ARG A 73 -0.220 3.467 -3.182 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.587 4.635 -4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.146 6.338 -5.619 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.472 6.699 -3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.974 5.056 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.047 6.667 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.052 7.349 -2.660 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.813 5.843 -2.185 1.00 0.00 H new ATOM 0 HE ARG A 73 2.897 6.887 -2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.550 8.612 -4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.695 9.877 -4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.377 8.522 -2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.868 9.826 -4.034 1.00 0.00 H new ATOM 1105 N PRO A 74 -1.757 3.817 -6.700 1.00 0.00 N ATOM 1106 CA PRO A 74 -1.425 3.035 -7.878 1.00 0.00 C ATOM 1107 C PRO A 74 -0.183 3.594 -8.576 1.00 0.00 C ATOM 1108 O PRO A 74 -0.101 4.792 -8.839 1.00 0.00 O ATOM 1109 CB PRO A 74 -2.669 3.088 -8.750 1.00 0.00 C ATOM 1110 CG PRO A 74 -3.479 4.273 -8.248 1.00 0.00 C ATOM 1111 CD PRO A 74 -2.912 4.687 -6.900 1.00 0.00 C ATOM 0 HA PRO A 74 -1.166 2.004 -7.638 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.405 3.212 -9.800 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.240 2.163 -8.672 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.424 5.100 -8.956 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.531 4.004 -8.153 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.621 5.738 -6.899 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.647 4.559 -6.105 1.00 0.00 H new ATOM 1361 N PHE A 92 -8.280 -1.897 -8.187 1.00 0.00 N ATOM 1362 CA PHE A 92 -7.009 -2.494 -7.816 1.00 0.00 C ATOM 1363 C PHE A 92 -6.885 -3.913 -8.376 1.00 0.00 C ATOM 1364 O PHE A 92 -7.749 -4.755 -8.139 1.00 0.00 O ATOM 1365 CB PHE A 92 -6.973 -2.557 -6.288 1.00 0.00 C ATOM 1366 CG PHE A 92 -5.639 -3.039 -5.715 1.00 0.00 C ATOM 1367 CD1 PHE A 92 -5.273 -4.342 -5.848 1.00 0.00 C ATOM 1368 CD2 PHE A 92 -4.819 -2.164 -5.074 1.00 0.00 C ATOM 1369 CE1 PHE A 92 -4.034 -4.789 -5.317 1.00 0.00 C ATOM 1370 CE2 PHE A 92 -3.580 -2.611 -4.543 1.00 0.00 C ATOM 1371 CZ PHE A 92 -3.214 -3.914 -4.675 1.00 0.00 C ATOM 0 HA PHE A 92 -6.188 -1.900 -8.218 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.191 -1.566 -5.889 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.766 -3.221 -5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.924 -5.037 -6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.110 -1.129 -4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.743 -5.824 -5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.928 -1.916 -4.034 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.272 -4.254 -4.270 1.00 0.00 H new ATOM 1381 N LEU A 93 -5.802 -4.133 -9.107 1.00 0.00 N ATOM 1382 CA LEU A 93 -5.554 -5.435 -9.702 1.00 0.00 C ATOM 1383 C LEU A 93 -4.681 -6.265 -8.758 1.00 0.00 C ATOM 1384 O LEU A 93 -4.256 -5.778 -7.712 1.00 0.00 O ATOM 1385 CB LEU A 93 -4.965 -5.279 -11.106 1.00 0.00 C ATOM 1386 CG LEU A 93 -5.912 -4.723 -12.172 1.00 0.00 C ATOM 1387 CD1 LEU A 93 -6.875 -3.699 -11.569 1.00 0.00 C ATOM 1388 CD2 LEU A 93 -5.129 -4.147 -13.354 1.00 0.00 C ATOM 0 H LEU A 93 -5.087 -3.432 -9.301 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.490 -5.979 -9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.096 -4.624 -11.043 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.607 -6.253 -11.439 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.516 -5.546 -12.556 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.537 -3.319 -12.347 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.469 -4.174 -10.788 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.307 -2.873 -11.141 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.825 -3.759 -14.097 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.484 -3.341 -13.005 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.519 -4.931 -13.803 1.00 0.00 H new ATOM 1400 N ASP A 94 -4.439 -7.503 -9.162 1.00 0.00 N ATOM 1401 CA ASP A 94 -3.625 -8.405 -8.365 1.00 0.00 C ATOM 1402 C ASP A 94 -2.631 -9.128 -9.277 1.00 0.00 C ATOM 1403 O ASP A 94 -2.776 -10.322 -9.535 1.00 0.00 O ATOM 1404 CB ASP A 94 -4.488 -9.462 -7.674 1.00 0.00 C ATOM 1405 CG ASP A 94 -3.717 -10.652 -7.101 1.00 0.00 C ATOM 1406 OD1 ASP A 94 -2.879 -10.408 -6.206 1.00 0.00 O ATOM 1407 OD2 ASP A 94 -3.984 -11.780 -7.570 1.00 0.00 O ATOM 0 H ASP A 94 -4.792 -7.903 -10.031 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.107 -7.813 -7.610 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.043 -8.985 -6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.222 -9.834 -8.389 1.00 0.00 H new ATOM 1412 N ASP A 95 -1.645 -8.374 -9.740 1.00 0.00 N ATOM 1413 CA ASP A 95 -0.628 -8.929 -10.617 1.00 0.00 C ATOM 1414 C ASP A 95 0.727 -8.304 -10.278 1.00 0.00 C ATOM 1415 O ASP A 95 0.797 -7.334 -9.526 1.00 0.00 O ATOM 1416 CB ASP A 95 -0.937 -8.620 -12.083 1.00 0.00 C ATOM 1417 CG ASP A 95 -1.231 -9.844 -12.953 1.00 0.00 C ATOM 1418 OD1 ASP A 95 -1.599 -10.884 -12.365 1.00 0.00 O ATOM 1419 OD2 ASP A 95 -1.082 -9.712 -14.187 1.00 0.00 O ATOM 0 H ASP A 95 -1.529 -7.384 -9.525 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.610 -10.009 -10.472 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.795 -7.949 -12.124 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -0.091 -8.083 -12.512 1.00 0.00 H new ATOM 1424 N SER A 96 1.771 -8.887 -10.850 1.00 0.00 N ATOM 1425 CA SER A 96 3.120 -8.399 -10.619 1.00 0.00 C ATOM 1426 C SER A 96 3.260 -6.972 -11.152 1.00 0.00 C ATOM 1427 O SER A 96 3.623 -6.061 -10.409 1.00 0.00 O ATOM 1428 CB SER A 96 4.156 -9.314 -11.274 1.00 0.00 C ATOM 1429 OG SER A 96 3.786 -9.675 -12.602 1.00 0.00 O ATOM 0 H SER A 96 1.710 -9.693 -11.473 1.00 0.00 H new ATOM 0 HA SER A 96 3.303 -8.398 -9.545 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.124 -8.812 -11.291 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.275 -10.216 -10.673 1.00 0.00 H new ATOM 0 HG SER A 96 4.474 -10.258 -12.986 1.00 0.00 H new ATOM 1435 N THR A 97 2.963 -6.822 -12.434 1.00 0.00 N ATOM 1436 CA THR A 97 3.051 -5.521 -13.075 1.00 0.00 C ATOM 1437 C THR A 97 2.451 -4.440 -12.174 1.00 0.00 C ATOM 1438 O THR A 97 3.170 -3.587 -11.658 1.00 0.00 O ATOM 1439 CB THR A 97 2.370 -5.620 -14.442 1.00 0.00 C ATOM 1440 OG1 THR A 97 1.025 -5.979 -14.134 1.00 0.00 O ATOM 1441 CG2 THR A 97 2.889 -6.796 -15.271 1.00 0.00 C ATOM 0 H THR A 97 2.661 -7.580 -13.046 1.00 0.00 H new ATOM 0 HA THR A 97 4.089 -5.228 -13.233 1.00 0.00 H new ATOM 0 HB THR A 97 2.524 -4.692 -14.993 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.511 -6.063 -14.964 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.373 -6.820 -16.231 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.960 -6.679 -15.437 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.704 -7.728 -14.736 1.00 0.00 H new ATOM 1449 N ALA A 98 1.138 -4.513 -12.012 1.00 0.00 N ATOM 1450 CA ALA A 98 0.432 -3.551 -11.181 1.00 0.00 C ATOM 1451 C ALA A 98 1.266 -3.253 -9.933 1.00 0.00 C ATOM 1452 O ALA A 98 1.400 -4.103 -9.054 1.00 0.00 O ATOM 1453 CB ALA A 98 -0.957 -4.095 -10.839 1.00 0.00 C ATOM 0 H ALA A 98 0.544 -5.223 -12.442 1.00 0.00 H new ATOM 0 HA ALA A 98 0.292 -2.611 -11.715 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.487 -3.374 -10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.519 -4.262 -11.758 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.856 -5.036 -10.299 1.00 0.00 H new ATOM 1459 N LEU A 99 1.804 -2.043 -9.896 1.00 0.00 N ATOM 1460 CA LEU A 99 2.621 -1.622 -8.770 1.00 0.00 C ATOM 1461 C LEU A 99 1.790 -0.725 -7.850 1.00 0.00 C ATOM 1462 O LEU A 99 0.721 -0.256 -8.235 1.00 0.00 O ATOM 1463 CB LEU A 99 3.915 -0.970 -9.261 1.00 0.00 C ATOM 1464 CG LEU A 99 5.116 -1.903 -9.424 1.00 0.00 C ATOM 1465 CD1 LEU A 99 6.068 -1.387 -10.506 1.00 0.00 C ATOM 1466 CD2 LEU A 99 5.830 -2.116 -8.088 1.00 0.00 C ATOM 0 H LEU A 99 1.690 -1.341 -10.627 1.00 0.00 H new ATOM 0 HA LEU A 99 2.931 -2.485 -8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.717 -0.494 -10.221 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.187 -0.178 -8.563 1.00 0.00 H new ATOM 0 HG LEU A 99 4.751 -2.876 -9.753 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.913 -2.068 -10.602 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.540 -1.328 -11.458 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.430 -0.397 -10.230 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.680 -2.783 -8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.182 -1.157 -7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.138 -2.559 -7.372 1.00 0.00 H new ATOM 1478 N TYR A 100 2.314 -0.514 -6.652 1.00 0.00 N ATOM 1479 CA TYR A 100 1.634 0.318 -5.674 1.00 0.00 C ATOM 1480 C TYR A 100 2.604 0.791 -4.588 1.00 0.00 C ATOM 1481 O TYR A 100 3.433 0.018 -4.111 1.00 0.00 O ATOM 1482 CB TYR A 100 0.565 -0.570 -5.034 1.00 0.00 C ATOM 1483 CG TYR A 100 -0.531 -1.018 -6.002 1.00 0.00 C ATOM 1484 CD1 TYR A 100 -1.568 -0.163 -6.315 1.00 0.00 C ATOM 1485 CD2 TYR A 100 -0.484 -2.279 -6.562 1.00 0.00 C ATOM 1486 CE1 TYR A 100 -2.600 -0.585 -7.226 1.00 0.00 C ATOM 1487 CE2 TYR A 100 -1.516 -2.701 -7.473 1.00 0.00 C ATOM 1488 CZ TYR A 100 -2.523 -1.833 -7.760 1.00 0.00 C ATOM 1489 OH TYR A 100 -3.498 -2.232 -8.621 1.00 0.00 O ATOM 0 H TYR A 100 3.202 -0.905 -6.336 1.00 0.00 H new ATOM 0 HA TYR A 100 1.212 1.203 -6.150 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.045 -1.452 -4.611 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.106 -0.030 -4.206 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.605 0.823 -5.876 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.327 -2.949 -6.317 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.417 0.075 -7.479 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.491 -3.685 -7.918 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.178 -2.141 -9.543 1.00 0.00 H new ATOM 1499 N THR A 101 2.467 2.060 -4.230 1.00 0.00 N ATOM 1500 CA THR A 101 3.320 2.645 -3.209 1.00 0.00 C ATOM 1501 C THR A 101 2.473 3.218 -2.071 1.00 0.00 C ATOM 1502 O THR A 101 1.245 3.206 -2.139 1.00 0.00 O ATOM 1503 CB THR A 101 4.216 3.686 -3.883 1.00 0.00 C ATOM 1504 OG1 THR A 101 5.158 4.038 -2.873 1.00 0.00 O ATOM 1505 CG2 THR A 101 3.478 4.993 -4.177 1.00 0.00 C ATOM 0 H THR A 101 1.779 2.699 -4.628 1.00 0.00 H new ATOM 0 HA THR A 101 3.960 1.892 -2.748 1.00 0.00 H new ATOM 0 HB THR A 101 4.612 3.277 -4.813 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.780 4.708 -3.225 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.160 5.696 -4.655 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.637 4.794 -4.841 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.110 5.421 -3.244 1.00 0.00 H new ATOM 1513 N PHE A 102 3.164 3.707 -1.051 1.00 0.00 N ATOM 1514 CA PHE A 102 2.491 4.283 0.100 1.00 0.00 C ATOM 1515 C PHE A 102 2.095 5.737 -0.167 1.00 0.00 C ATOM 1516 O PHE A 102 2.897 6.519 -0.674 1.00 0.00 O ATOM 1517 CB PHE A 102 3.482 4.243 1.265 1.00 0.00 C ATOM 1518 CG PHE A 102 3.757 2.836 1.800 1.00 0.00 C ATOM 1519 CD1 PHE A 102 2.721 1.993 2.058 1.00 0.00 C ATOM 1520 CD2 PHE A 102 5.036 2.430 2.019 1.00 0.00 C ATOM 1521 CE1 PHE A 102 2.976 0.687 2.555 1.00 0.00 C ATOM 1522 CE2 PHE A 102 5.290 1.124 2.516 1.00 0.00 C ATOM 1523 CZ PHE A 102 4.255 0.281 2.774 1.00 0.00 C ATOM 0 H PHE A 102 4.183 3.716 -0.998 1.00 0.00 H new ATOM 0 HA PHE A 102 1.583 3.721 0.319 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.423 4.689 0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 102 3.098 4.861 2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.705 2.317 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.858 3.100 1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.154 0.017 2.759 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.306 0.800 2.689 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.449 -0.712 3.153 1.00 0.00 H new ATOM 1533 N ALA A 103 0.858 6.054 0.186 1.00 0.00 N ATOM 1534 CA ALA A 103 0.346 7.400 -0.009 1.00 0.00 C ATOM 1535 C ALA A 103 0.731 8.267 1.191 1.00 0.00 C ATOM 1536 O ALA A 103 0.714 7.800 2.329 1.00 0.00 O ATOM 1537 CB ALA A 103 -1.168 7.344 -0.226 1.00 0.00 C ATOM 0 H ALA A 103 0.195 5.402 0.606 1.00 0.00 H new ATOM 0 HA ALA A 103 0.786 7.853 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.552 8.354 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.387 6.741 -1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.644 6.897 0.647 1.00 0.00 H new