USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 496 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 CYS SG : rot -175:sc= -3.32! USER MOD Set 1.2: A 78 CYS SG : rot 155:sc= -4! USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 0.382 (180deg=0.321) USER MOD Single : A 17 MET CE :methyl 179:sc= -2.04 (180deg=-2.07) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 1.31 (180deg=1.08) USER MOD Single : A 29 ASN : amide:sc= -0.048 K(o=-0.048,f=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -20:sc= -0.331 USER MOD Single : A 37 MET CE :methyl 146:sc= -1.59 (180deg=-3.79!) USER MOD Single : A 39 MET CE :methyl -159:sc= -1.79 (180deg=-5.9!) USER MOD Single : A 41 THR OG1 : rot 91:sc= 1.28 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0.51 (180deg=0.484) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 47 TYR OH : rot 100:sc= 1.11 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 153:sc= 1.26 (180deg=-0.193) USER MOD Single : A 52 THR OG1 : rot 62:sc= 0.1 USER MOD Single : A 56 MET CE :methyl 179:sc= -0.165 (180deg=-0.166) USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= 1.18 (180deg=0.659) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.62 K(o=-1.6,f=-0.57) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -63:sc= 1.24 USER MOD Single : A 80 LYS NZ :NH3+ 161:sc= 0.25 (180deg=0.16) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 27.342 -30.257 -23.987 1.00 0.00 N ATOM 159 CA GLU A 12 28.338 -29.198 -24.240 1.00 0.00 C ATOM 160 C GLU A 12 28.052 -28.407 -25.534 1.00 0.00 C ATOM 161 O GLU A 12 28.596 -27.327 -25.759 1.00 0.00 O ATOM 162 CB GLU A 12 29.798 -29.662 -24.117 1.00 0.00 C ATOM 163 CG GLU A 12 30.323 -30.374 -25.364 1.00 0.00 C ATOM 164 CD GLU A 12 31.756 -30.834 -25.138 1.00 0.00 C ATOM 165 OE1 GLU A 12 32.644 -29.972 -24.960 1.00 0.00 O ATOM 166 OE2 GLU A 12 31.996 -32.058 -25.111 1.00 0.00 O ATOM 0 HA GLU A 12 28.213 -28.490 -23.421 1.00 0.00 H new ATOM 0 HB2 GLU A 12 30.429 -28.797 -23.910 1.00 0.00 H new ATOM 0 HB3 GLU A 12 29.886 -30.333 -23.262 1.00 0.00 H new ATOM 0 HG2 GLU A 12 29.690 -31.230 -25.597 1.00 0.00 H new ATOM 0 HG3 GLU A 12 30.279 -29.703 -26.221 1.00 0.00 H new ATOM 173 N LYS A 13 27.189 -28.957 -26.393 1.00 0.00 N ATOM 174 CA LYS A 13 26.606 -28.142 -27.456 1.00 0.00 C ATOM 175 C LYS A 13 25.944 -26.883 -26.897 1.00 0.00 C ATOM 176 O LYS A 13 26.434 -25.760 -27.079 1.00 0.00 O ATOM 177 CB LYS A 13 25.628 -28.937 -28.343 1.00 0.00 C ATOM 178 CG LYS A 13 25.381 -28.252 -29.700 1.00 0.00 C ATOM 179 CD LYS A 13 24.357 -27.109 -29.610 1.00 0.00 C ATOM 180 CE LYS A 13 22.921 -27.644 -29.589 1.00 0.00 C ATOM 181 NZ LYS A 13 21.981 -26.552 -29.264 1.00 0.00 N ATOM 0 H LYS A 13 26.887 -29.931 -26.375 1.00 0.00 H new ATOM 0 HA LYS A 13 27.432 -27.833 -28.096 1.00 0.00 H new ATOM 0 HB2 LYS A 13 26.025 -29.938 -28.511 1.00 0.00 H new ATOM 0 HB3 LYS A 13 24.679 -29.054 -27.819 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.324 -27.860 -30.082 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.030 -28.993 -30.418 1.00 0.00 H new ATOM 0 HD2 LYS A 13 24.542 -26.523 -28.709 1.00 0.00 H new ATOM 0 HD3 LYS A 13 24.484 -26.437 -30.459 1.00 0.00 H new ATOM 0 HE2 LYS A 13 22.670 -28.075 -30.558 1.00 0.00 H new ATOM 0 HE3 LYS A 13 22.832 -28.443 -28.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 21.007 -26.866 -29.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 22.078 -26.297 -28.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 22.195 -25.723 -29.854 1.00 0.00 H new ATOM 195 N ASP A 14 24.835 -27.064 -26.181 1.00 0.00 N ATOM 196 CA ASP A 14 24.125 -25.879 -25.715 1.00 0.00 C ATOM 197 C ASP A 14 24.894 -25.117 -24.635 1.00 0.00 C ATOM 198 O ASP A 14 24.867 -23.890 -24.578 1.00 0.00 O ATOM 199 CB ASP A 14 22.692 -26.198 -25.282 1.00 0.00 C ATOM 200 CG ASP A 14 21.733 -25.076 -25.663 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.283 -25.044 -26.831 1.00 0.00 O ATOM 202 OD2 ASP A 14 21.438 -24.214 -24.807 1.00 0.00 O ATOM 0 H ASP A 14 24.429 -27.964 -25.924 1.00 0.00 H new ATOM 0 HA ASP A 14 24.056 -25.209 -26.572 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.368 -27.129 -25.747 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.662 -26.354 -24.204 1.00 0.00 H new ATOM 207 N GLU A 15 25.622 -25.851 -23.802 1.00 0.00 N ATOM 208 CA GLU A 15 26.467 -25.197 -22.800 1.00 0.00 C ATOM 209 C GLU A 15 27.551 -24.302 -23.395 1.00 0.00 C ATOM 210 O GLU A 15 27.699 -23.138 -23.021 1.00 0.00 O ATOM 211 CB GLU A 15 27.114 -26.226 -21.867 1.00 0.00 C ATOM 212 CG GLU A 15 26.199 -26.571 -20.687 1.00 0.00 C ATOM 213 CD GLU A 15 26.380 -25.616 -19.515 1.00 0.00 C ATOM 214 OE1 GLU A 15 25.805 -24.507 -19.543 1.00 0.00 O ATOM 215 OE2 GLU A 15 27.088 -25.978 -18.550 1.00 0.00 O ATOM 0 H GLU A 15 25.649 -26.871 -23.795 1.00 0.00 H new ATOM 0 HA GLU A 15 25.793 -24.552 -22.236 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.344 -27.132 -22.427 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.060 -25.835 -21.493 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.160 -26.545 -21.016 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.404 -27.590 -20.357 1.00 0.00 H new ATOM 222 N CYS A 16 28.330 -24.851 -24.315 1.00 0.00 N ATOM 223 CA CYS A 16 29.403 -24.045 -24.909 1.00 0.00 C ATOM 224 C CYS A 16 28.894 -22.854 -25.731 1.00 0.00 C ATOM 225 O CYS A 16 29.512 -21.790 -25.707 1.00 0.00 O ATOM 226 CB CYS A 16 30.499 -24.826 -25.643 1.00 0.00 C ATOM 227 SG CYS A 16 31.877 -23.700 -26.033 1.00 0.00 S ATOM 0 H CYS A 16 28.253 -25.808 -24.660 1.00 0.00 H new ATOM 0 HA CYS A 16 29.904 -23.638 -24.031 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.852 -25.651 -25.024 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.100 -25.263 -26.559 1.00 0.00 H new ATOM 0 HG CYS A 16 32.758 -24.326 -26.755 1.00 0.00 H new ATOM 233 N MET A 17 27.768 -22.976 -26.449 1.00 0.00 N ATOM 234 CA MET A 17 27.232 -21.746 -27.074 1.00 0.00 C ATOM 235 C MET A 17 26.518 -20.816 -26.069 1.00 0.00 C ATOM 236 O MET A 17 26.392 -19.612 -26.301 1.00 0.00 O ATOM 237 CB MET A 17 26.493 -21.903 -28.411 1.00 0.00 C ATOM 238 CG MET A 17 27.133 -20.961 -29.457 1.00 0.00 C ATOM 239 SD MET A 17 28.939 -21.183 -29.401 1.00 0.00 S ATOM 240 CE MET A 17 29.512 -20.180 -30.785 1.00 0.00 C ATOM 0 H MET A 17 27.242 -23.836 -26.608 1.00 0.00 H new ATOM 0 HA MET A 17 28.139 -21.230 -27.390 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.549 -22.937 -28.752 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.437 -21.665 -28.287 1.00 0.00 H new ATOM 0 HG2 MET A 17 26.754 -21.187 -30.454 1.00 0.00 H new ATOM 0 HG3 MET A 17 26.871 -19.924 -29.244 1.00 0.00 H new ATOM 0 HE1 MET A 17 30.600 -20.223 -30.840 1.00 0.00 H new ATOM 0 HE2 MET A 17 29.086 -20.563 -31.713 1.00 0.00 H new ATOM 0 HE3 MET A 17 29.197 -19.147 -30.641 1.00 0.00 H new ATOM 250 N LYS A 18 26.109 -21.347 -24.915 1.00 0.00 N ATOM 251 CA LYS A 18 25.572 -20.470 -23.873 1.00 0.00 C ATOM 252 C LYS A 18 26.653 -19.604 -23.225 1.00 0.00 C ATOM 253 O LYS A 18 26.491 -18.395 -23.055 1.00 0.00 O ATOM 254 CB LYS A 18 24.814 -21.272 -22.809 1.00 0.00 C ATOM 255 CG LYS A 18 23.601 -20.520 -22.250 1.00 0.00 C ATOM 256 CD LYS A 18 22.306 -21.183 -22.727 1.00 0.00 C ATOM 257 CE LYS A 18 21.929 -20.724 -24.137 1.00 0.00 C ATOM 258 NZ LYS A 18 20.891 -21.614 -24.689 1.00 0.00 N ATOM 0 H LYS A 18 26.136 -22.340 -24.683 1.00 0.00 H new ATOM 0 HA LYS A 18 24.870 -19.797 -24.365 1.00 0.00 H new ATOM 0 HB2 LYS A 18 24.483 -22.217 -23.240 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.493 -21.515 -21.992 1.00 0.00 H new ATOM 0 HG2 LYS A 18 23.637 -20.515 -21.161 1.00 0.00 H new ATOM 0 HG3 LYS A 18 23.627 -19.480 -22.574 1.00 0.00 H new ATOM 0 HD2 LYS A 18 22.425 -22.266 -22.715 1.00 0.00 H new ATOM 0 HD3 LYS A 18 21.497 -20.943 -22.037 1.00 0.00 H new ATOM 0 HE2 LYS A 18 21.564 -19.697 -24.110 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.809 -20.733 -24.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 20.782 -21.431 -25.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.170 -22.605 -24.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 19.987 -21.434 -24.207 1.00 0.00 H new ATOM 272 N ILE A 19 27.768 -20.221 -22.841 1.00 0.00 N ATOM 273 CA ILE A 19 28.900 -19.399 -22.393 1.00 0.00 C ATOM 274 C ILE A 19 29.498 -18.557 -23.531 1.00 0.00 C ATOM 275 O ILE A 19 30.091 -17.511 -23.300 1.00 0.00 O ATOM 276 CB ILE A 19 29.990 -20.160 -21.636 1.00 0.00 C ATOM 277 CG1 ILE A 19 31.061 -19.164 -21.180 1.00 0.00 C ATOM 278 CG2 ILE A 19 30.565 -21.289 -22.492 1.00 0.00 C ATOM 279 CD1 ILE A 19 31.826 -19.632 -19.947 1.00 0.00 C ATOM 0 H ILE A 19 27.915 -21.230 -22.828 1.00 0.00 H new ATOM 0 HA ILE A 19 28.460 -18.722 -21.661 1.00 0.00 H new ATOM 0 HB ILE A 19 29.567 -20.638 -20.752 1.00 0.00 H new ATOM 0 HG12 ILE A 19 31.765 -18.998 -21.996 1.00 0.00 H new ATOM 0 HG13 ILE A 19 30.589 -18.205 -20.965 1.00 0.00 H new ATOM 0 HG21 ILE A 19 31.338 -21.814 -21.930 1.00 0.00 H new ATOM 0 HG22 ILE A 19 29.770 -21.987 -22.755 1.00 0.00 H new ATOM 0 HG23 ILE A 19 30.998 -20.872 -23.401 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.570 -18.883 -19.674 1.00 0.00 H new ATOM 0 HD12 ILE A 19 31.131 -19.772 -19.119 1.00 0.00 H new ATOM 0 HD13 ILE A 19 32.325 -20.576 -20.165 1.00 0.00 H new ATOM 291 N PHE A 20 29.395 -19.029 -24.764 1.00 0.00 N ATOM 292 CA PHE A 20 29.720 -18.139 -25.886 1.00 0.00 C ATOM 293 C PHE A 20 28.871 -16.859 -25.832 1.00 0.00 C ATOM 294 O PHE A 20 29.348 -15.765 -26.119 1.00 0.00 O ATOM 295 CB PHE A 20 29.581 -18.842 -27.250 1.00 0.00 C ATOM 296 CG PHE A 20 30.331 -18.115 -28.352 1.00 0.00 C ATOM 297 CD1 PHE A 20 29.881 -16.923 -28.809 1.00 0.00 C ATOM 298 CD2 PHE A 20 31.535 -18.570 -28.776 1.00 0.00 C ATOM 299 CE1 PHE A 20 30.734 -16.079 -29.439 1.00 0.00 C ATOM 300 CE2 PHE A 20 32.420 -17.702 -29.320 1.00 0.00 C ATOM 301 CZ PHE A 20 32.032 -16.434 -29.598 1.00 0.00 C ATOM 0 H PHE A 20 29.105 -19.974 -25.015 1.00 0.00 H new ATOM 0 HA PHE A 20 30.769 -17.860 -25.781 1.00 0.00 H new ATOM 0 HB2 PHE A 20 29.956 -19.862 -27.170 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.526 -18.910 -27.515 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.846 -16.646 -28.672 1.00 0.00 H new ATOM 0 HD2 PHE A 20 31.786 -19.616 -28.681 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.381 -15.129 -29.812 1.00 0.00 H new ATOM 0 HE2 PHE A 20 33.431 -18.019 -29.531 1.00 0.00 H new ATOM 0 HZ PHE A 20 32.754 -15.709 -29.945 1.00 0.00 H new ATOM 311 N ASP A 21 27.617 -17.006 -25.412 1.00 0.00 N ATOM 312 CA ASP A 21 26.762 -15.827 -25.211 1.00 0.00 C ATOM 313 C ASP A 21 27.122 -15.006 -23.957 1.00 0.00 C ATOM 314 O ASP A 21 27.116 -13.775 -23.976 1.00 0.00 O ATOM 315 CB ASP A 21 25.283 -16.230 -25.184 1.00 0.00 C ATOM 316 CG ASP A 21 24.370 -15.092 -25.616 1.00 0.00 C ATOM 317 OD1 ASP A 21 24.222 -14.868 -26.837 1.00 0.00 O ATOM 318 OD2 ASP A 21 23.786 -14.422 -24.737 1.00 0.00 O ATOM 0 H ASP A 21 27.174 -17.902 -25.207 1.00 0.00 H new ATOM 0 HA ASP A 21 26.946 -15.173 -26.064 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.129 -17.086 -25.841 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.013 -16.548 -24.177 1.00 0.00 H new ATOM 323 N ILE A 22 27.433 -15.688 -22.854 1.00 0.00 N ATOM 324 CA ILE A 22 27.885 -14.933 -21.656 1.00 0.00 C ATOM 325 C ILE A 22 29.249 -14.264 -21.909 1.00 0.00 C ATOM 326 O ILE A 22 29.420 -13.055 -21.749 1.00 0.00 O ATOM 327 CB ILE A 22 27.981 -15.697 -20.297 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.648 -16.302 -19.815 1.00 0.00 C ATOM 329 CG2 ILE A 22 28.464 -14.725 -19.211 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.911 -17.267 -18.652 1.00 0.00 C ATOM 0 H ILE A 22 27.389 -16.702 -22.751 1.00 0.00 H new ATOM 0 HA ILE A 22 27.070 -14.220 -21.529 1.00 0.00 H new ATOM 0 HB ILE A 22 28.673 -16.522 -20.467 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.971 -15.509 -19.497 1.00 0.00 H new ATOM 0 HG13 ILE A 22 26.159 -16.829 -20.634 1.00 0.00 H new ATOM 0 HG21 ILE A 22 28.534 -15.250 -18.258 1.00 0.00 H new ATOM 0 HG22 ILE A 22 29.444 -14.334 -19.483 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.757 -13.901 -19.120 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.967 -17.694 -18.313 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.572 -18.067 -18.985 1.00 0.00 H new ATOM 0 HD13 ILE A 22 27.381 -16.727 -17.830 1.00 0.00 H new ATOM 342 N PHE A 23 30.227 -15.082 -22.274 1.00 0.00 N ATOM 343 CA PHE A 23 31.582 -14.557 -22.509 1.00 0.00 C ATOM 344 C PHE A 23 31.735 -13.806 -23.841 1.00 0.00 C ATOM 345 O PHE A 23 32.845 -13.507 -24.283 1.00 0.00 O ATOM 346 CB PHE A 23 32.653 -15.656 -22.407 1.00 0.00 C ATOM 347 CG PHE A 23 32.997 -15.974 -20.961 1.00 0.00 C ATOM 348 CD1 PHE A 23 32.009 -16.185 -20.060 1.00 0.00 C ATOM 349 CD2 PHE A 23 34.274 -15.850 -20.529 1.00 0.00 C ATOM 350 CE1 PHE A 23 32.245 -16.005 -18.739 1.00 0.00 C ATOM 351 CE2 PHE A 23 34.520 -15.666 -19.207 1.00 0.00 C ATOM 352 CZ PHE A 23 33.495 -15.699 -18.318 1.00 0.00 C ATOM 0 H PHE A 23 30.122 -16.087 -22.413 1.00 0.00 H new ATOM 0 HA PHE A 23 31.737 -13.831 -21.711 1.00 0.00 H new ATOM 0 HB2 PHE A 23 32.296 -16.559 -22.903 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.553 -15.337 -22.933 1.00 0.00 H new ATOM 0 HD1 PHE A 23 31.031 -16.497 -20.395 1.00 0.00 H new ATOM 0 HD2 PHE A 23 35.092 -15.897 -21.232 1.00 0.00 H new ATOM 0 HE1 PHE A 23 31.441 -16.105 -18.025 1.00 0.00 H new ATOM 0 HE2 PHE A 23 35.529 -15.494 -18.863 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.676 -15.481 -17.276 1.00 0.00 H new ATOM 362 N ASP A 24 30.618 -13.580 -24.524 1.00 0.00 N ATOM 363 CA ASP A 24 30.643 -12.821 -25.776 1.00 0.00 C ATOM 364 C ASP A 24 31.111 -11.353 -25.615 1.00 0.00 C ATOM 365 O ASP A 24 30.462 -10.446 -26.112 1.00 0.00 O ATOM 366 CB ASP A 24 29.210 -12.783 -26.347 1.00 0.00 C ATOM 367 CG ASP A 24 29.182 -12.611 -27.853 1.00 0.00 C ATOM 368 OD1 ASP A 24 29.839 -13.401 -28.558 1.00 0.00 O ATOM 369 OD2 ASP A 24 28.498 -11.688 -28.342 1.00 0.00 O ATOM 0 H ASP A 24 29.694 -13.905 -24.240 1.00 0.00 H new ATOM 0 HA ASP A 24 31.356 -13.324 -26.429 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.693 -13.705 -26.082 1.00 0.00 H new ATOM 0 HB3 ASP A 24 28.660 -11.965 -25.882 1.00 0.00 H new ATOM 437 N ASN A 29 31.664 -11.252 -29.351 1.00 0.00 N ATOM 438 CA ASN A 29 32.298 -12.386 -30.051 1.00 0.00 C ATOM 439 C ASN A 29 33.841 -12.422 -30.089 1.00 0.00 C ATOM 440 O ASN A 29 34.422 -12.717 -31.130 1.00 0.00 O ATOM 441 CB ASN A 29 31.759 -12.537 -31.494 1.00 0.00 C ATOM 442 CG ASN A 29 30.266 -12.882 -31.570 1.00 0.00 C ATOM 443 OD1 ASN A 29 29.880 -13.921 -32.102 1.00 0.00 O ATOM 444 ND2 ASN A 29 29.403 -12.006 -31.086 1.00 0.00 N ATOM 0 HA ASN A 29 32.010 -13.229 -29.423 1.00 0.00 H new ATOM 0 HB2 ASN A 29 31.935 -11.607 -32.035 1.00 0.00 H new ATOM 0 HB3 ASN A 29 32.327 -13.315 -32.004 1.00 0.00 H new ATOM 0 HD21 ASN A 29 28.401 -12.187 -31.151 1.00 0.00 H new ATOM 0 HD22 ASN A 29 29.739 -11.148 -30.647 1.00 0.00 H new ATOM 451 N ILE A 30 34.531 -12.120 -28.988 1.00 0.00 N ATOM 452 CA ILE A 30 35.972 -12.459 -28.936 1.00 0.00 C ATOM 453 C ILE A 30 36.384 -12.867 -27.509 1.00 0.00 C ATOM 454 O ILE A 30 36.338 -12.072 -26.570 1.00 0.00 O ATOM 455 CB ILE A 30 36.978 -11.471 -29.595 1.00 0.00 C ATOM 456 CG1 ILE A 30 37.299 -10.284 -28.669 1.00 0.00 C ATOM 457 CG2 ILE A 30 36.487 -10.953 -30.954 1.00 0.00 C ATOM 458 CD1 ILE A 30 38.219 -9.252 -29.330 1.00 0.00 C ATOM 0 H ILE A 30 34.151 -11.666 -28.157 1.00 0.00 H new ATOM 0 HA ILE A 30 36.056 -13.315 -29.605 1.00 0.00 H new ATOM 0 HB ILE A 30 37.891 -12.042 -29.763 1.00 0.00 H new ATOM 0 HG12 ILE A 30 36.370 -9.799 -28.371 1.00 0.00 H new ATOM 0 HG13 ILE A 30 37.770 -10.655 -27.759 1.00 0.00 H new ATOM 0 HG21 ILE A 30 37.225 -10.268 -31.371 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.347 -11.793 -31.634 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.540 -10.430 -30.823 1.00 0.00 H new ATOM 0 HD11 ILE A 30 38.412 -8.437 -28.632 1.00 0.00 H new ATOM 0 HD12 ILE A 30 39.161 -9.727 -29.603 1.00 0.00 H new ATOM 0 HD13 ILE A 30 37.739 -8.857 -30.225 1.00 0.00 H new ATOM 470 N ALA A 31 36.791 -14.123 -27.343 1.00 0.00 N ATOM 471 CA ALA A 31 37.139 -14.599 -25.993 1.00 0.00 C ATOM 472 C ALA A 31 38.577 -15.148 -25.923 1.00 0.00 C ATOM 473 O ALA A 31 38.879 -16.173 -26.533 1.00 0.00 O ATOM 474 CB ALA A 31 36.165 -15.668 -25.506 1.00 0.00 C ATOM 0 H ALA A 31 36.888 -14.811 -28.089 1.00 0.00 H new ATOM 0 HA ALA A 31 37.069 -13.730 -25.339 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.453 -15.995 -24.507 1.00 0.00 H new ATOM 0 HB2 ALA A 31 35.157 -15.255 -25.476 1.00 0.00 H new ATOM 0 HB3 ALA A 31 36.188 -16.519 -26.187 1.00 0.00 H new ATOM 480 N PRO A 32 39.461 -14.556 -25.108 1.00 0.00 N ATOM 481 CA PRO A 32 40.875 -14.958 -25.164 1.00 0.00 C ATOM 482 C PRO A 32 41.184 -16.124 -24.202 1.00 0.00 C ATOM 483 O PRO A 32 40.289 -16.759 -23.642 1.00 0.00 O ATOM 484 CB PRO A 32 41.637 -13.676 -24.793 1.00 0.00 C ATOM 485 CG PRO A 32 40.616 -12.703 -24.197 1.00 0.00 C ATOM 486 CD PRO A 32 39.241 -13.184 -24.648 1.00 0.00 C ATOM 0 HA PRO A 32 41.163 -15.340 -26.144 1.00 0.00 H new ATOM 0 HB2 PRO A 32 42.428 -13.892 -24.075 1.00 0.00 H new ATOM 0 HB3 PRO A 32 42.114 -13.243 -25.672 1.00 0.00 H new ATOM 0 HG2 PRO A 32 40.684 -12.688 -23.109 1.00 0.00 H new ATOM 0 HG3 PRO A 32 40.803 -11.686 -24.542 1.00 0.00 H new ATOM 0 HD2 PRO A 32 38.522 -13.151 -23.830 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.844 -12.557 -25.447 1.00 0.00 H new ATOM 494 N VAL A 33 42.472 -16.431 -24.043 1.00 0.00 N ATOM 495 CA VAL A 33 42.874 -17.495 -23.073 1.00 0.00 C ATOM 496 C VAL A 33 42.266 -17.305 -21.680 1.00 0.00 C ATOM 497 O VAL A 33 41.636 -18.209 -21.129 1.00 0.00 O ATOM 498 CB VAL A 33 44.409 -17.659 -22.895 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.903 -18.957 -23.535 1.00 0.00 C ATOM 500 CG2 VAL A 33 45.188 -16.467 -23.458 1.00 0.00 C ATOM 0 H VAL A 33 43.242 -15.987 -24.544 1.00 0.00 H new ATOM 0 HA VAL A 33 42.476 -18.398 -23.537 1.00 0.00 H new ATOM 0 HB VAL A 33 44.595 -17.701 -21.822 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.980 -19.045 -23.395 1.00 0.00 H new ATOM 0 HG12 VAL A 33 44.406 -19.806 -23.066 1.00 0.00 H new ATOM 0 HG13 VAL A 33 44.676 -18.947 -24.601 1.00 0.00 H new ATOM 0 HG21 VAL A 33 46.256 -16.628 -23.310 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.980 -16.367 -24.523 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.883 -15.557 -22.942 1.00 0.00 H new ATOM 510 N SER A 34 42.495 -16.142 -21.080 1.00 0.00 N ATOM 511 CA SER A 34 41.929 -15.898 -19.745 1.00 0.00 C ATOM 512 C SER A 34 40.413 -16.122 -19.676 1.00 0.00 C ATOM 513 O SER A 34 39.885 -16.659 -18.697 1.00 0.00 O ATOM 514 CB SER A 34 42.304 -14.520 -19.191 1.00 0.00 C ATOM 515 OG SER A 34 41.782 -13.497 -20.031 1.00 0.00 O ATOM 0 H SER A 34 43.045 -15.377 -21.471 1.00 0.00 H new ATOM 0 HA SER A 34 42.388 -16.650 -19.103 1.00 0.00 H new ATOM 0 HB2 SER A 34 41.912 -14.407 -18.180 1.00 0.00 H new ATOM 0 HB3 SER A 34 43.388 -14.429 -19.124 1.00 0.00 H new ATOM 0 HG SER A 34 42.025 -12.620 -19.668 1.00 0.00 H new ATOM 521 N ASP A 35 39.707 -15.716 -20.729 1.00 0.00 N ATOM 522 CA ASP A 35 38.289 -16.061 -20.814 1.00 0.00 C ATOM 523 C ASP A 35 38.054 -17.582 -20.724 1.00 0.00 C ATOM 524 O ASP A 35 37.233 -18.032 -19.933 1.00 0.00 O ATOM 525 CB ASP A 35 37.597 -15.422 -22.031 1.00 0.00 C ATOM 526 CG ASP A 35 37.056 -14.032 -21.714 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.805 -13.207 -21.149 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.886 -13.752 -22.052 1.00 0.00 O ATOM 0 H ASP A 35 40.074 -15.169 -21.508 1.00 0.00 H new ATOM 0 HA ASP A 35 37.811 -15.625 -19.937 1.00 0.00 H new ATOM 0 HB2 ASP A 35 38.305 -15.356 -22.858 1.00 0.00 H new ATOM 0 HB3 ASP A 35 36.780 -16.063 -22.361 1.00 0.00 H new ATOM 533 N THR A 36 38.829 -18.390 -21.455 1.00 0.00 N ATOM 534 CA THR A 36 38.700 -19.850 -21.316 1.00 0.00 C ATOM 535 C THR A 36 38.982 -20.366 -19.891 1.00 0.00 C ATOM 536 O THR A 36 38.402 -21.359 -19.451 1.00 0.00 O ATOM 537 CB THR A 36 39.540 -20.577 -22.380 1.00 0.00 C ATOM 538 OG1 THR A 36 39.110 -20.155 -23.666 1.00 0.00 O ATOM 539 CG2 THR A 36 39.387 -22.096 -22.294 1.00 0.00 C ATOM 0 H THR A 36 39.529 -18.076 -22.127 1.00 0.00 H new ATOM 0 HA THR A 36 37.651 -20.087 -21.494 1.00 0.00 H new ATOM 0 HB THR A 36 40.587 -20.330 -22.206 1.00 0.00 H new ATOM 0 HG1 THR A 36 38.207 -19.779 -23.602 1.00 0.00 H new ATOM 0 HG21 THR A 36 39.998 -22.567 -23.064 1.00 0.00 H new ATOM 0 HG22 THR A 36 39.712 -22.439 -21.312 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.342 -22.366 -22.445 1.00 0.00 H new ATOM 547 N MET A 37 39.861 -19.689 -19.153 1.00 0.00 N ATOM 548 CA MET A 37 40.089 -20.094 -17.758 1.00 0.00 C ATOM 549 C MET A 37 38.849 -19.862 -16.892 1.00 0.00 C ATOM 550 O MET A 37 38.362 -20.772 -16.217 1.00 0.00 O ATOM 551 CB MET A 37 41.305 -19.420 -17.099 1.00 0.00 C ATOM 552 CG MET A 37 42.567 -19.480 -17.961 1.00 0.00 C ATOM 553 SD MET A 37 42.951 -21.189 -18.374 1.00 0.00 S ATOM 554 CE MET A 37 42.603 -21.130 -20.136 1.00 0.00 C ATOM 0 H MET A 37 40.408 -18.891 -19.475 1.00 0.00 H new ATOM 0 HA MET A 37 40.305 -21.161 -17.814 1.00 0.00 H new ATOM 0 HB2 MET A 37 41.065 -18.378 -16.889 1.00 0.00 H new ATOM 0 HB3 MET A 37 41.504 -19.900 -16.141 1.00 0.00 H new ATOM 0 HG2 MET A 37 42.422 -18.901 -18.873 1.00 0.00 H new ATOM 0 HG3 MET A 37 43.404 -19.030 -17.427 1.00 0.00 H new ATOM 0 HE1 MET A 37 43.288 -21.793 -20.664 1.00 0.00 H new ATOM 0 HE2 MET A 37 41.577 -21.450 -20.315 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.733 -20.110 -20.499 1.00 0.00 H new ATOM 564 N ASP A 38 38.334 -18.633 -16.903 1.00 0.00 N ATOM 565 CA ASP A 38 37.057 -18.389 -16.212 1.00 0.00 C ATOM 566 C ASP A 38 35.895 -19.193 -16.809 1.00 0.00 C ATOM 567 O ASP A 38 34.939 -19.540 -16.115 1.00 0.00 O ATOM 568 CB ASP A 38 36.652 -16.920 -16.163 1.00 0.00 C ATOM 569 CG ASP A 38 37.593 -16.083 -15.311 1.00 0.00 C ATOM 570 OD1 ASP A 38 38.725 -15.797 -15.757 1.00 0.00 O ATOM 571 OD2 ASP A 38 37.194 -15.696 -14.190 1.00 0.00 O ATOM 0 H ASP A 38 38.753 -17.822 -17.358 1.00 0.00 H new ATOM 0 HA ASP A 38 37.249 -18.726 -15.193 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.631 -16.519 -17.176 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.640 -16.839 -15.767 1.00 0.00 H new ATOM 576 N MET A 39 35.963 -19.484 -18.103 1.00 0.00 N ATOM 577 CA MET A 39 34.901 -20.259 -18.726 1.00 0.00 C ATOM 578 C MET A 39 34.815 -21.676 -18.181 1.00 0.00 C ATOM 579 O MET A 39 33.790 -22.101 -17.650 1.00 0.00 O ATOM 580 CB MET A 39 35.074 -20.353 -20.241 1.00 0.00 C ATOM 581 CG MET A 39 34.831 -19.033 -20.972 1.00 0.00 C ATOM 582 SD MET A 39 35.861 -18.977 -22.451 1.00 0.00 S ATOM 583 CE MET A 39 34.811 -17.976 -23.512 1.00 0.00 C ATOM 0 H MET A 39 36.721 -19.203 -18.725 1.00 0.00 H new ATOM 0 HA MET A 39 33.983 -19.722 -18.487 1.00 0.00 H new ATOM 0 HB2 MET A 39 36.084 -20.699 -20.461 1.00 0.00 H new ATOM 0 HB3 MET A 39 34.387 -21.105 -20.630 1.00 0.00 H new ATOM 0 HG2 MET A 39 33.779 -18.942 -21.243 1.00 0.00 H new ATOM 0 HG3 MET A 39 35.066 -18.193 -20.319 1.00 0.00 H new ATOM 0 HE1 MET A 39 35.086 -18.139 -24.554 1.00 0.00 H new ATOM 0 HE2 MET A 39 33.769 -18.258 -23.363 1.00 0.00 H new ATOM 0 HE3 MET A 39 34.941 -16.923 -23.263 1.00 0.00 H new ATOM 593 N LEU A 40 35.896 -22.429 -18.328 1.00 0.00 N ATOM 594 CA LEU A 40 35.862 -23.804 -17.834 1.00 0.00 C ATOM 595 C LEU A 40 35.834 -23.904 -16.298 1.00 0.00 C ATOM 596 O LEU A 40 35.236 -24.827 -15.749 1.00 0.00 O ATOM 597 CB LEU A 40 36.924 -24.706 -18.510 1.00 0.00 C ATOM 598 CG LEU A 40 36.528 -25.267 -19.908 1.00 0.00 C ATOM 599 CD1 LEU A 40 35.020 -25.490 -20.062 1.00 0.00 C ATOM 600 CD2 LEU A 40 37.099 -24.436 -21.057 1.00 0.00 C ATOM 0 H LEU A 40 36.770 -22.134 -18.763 1.00 0.00 H new ATOM 0 HA LEU A 40 34.900 -24.212 -18.145 1.00 0.00 H new ATOM 0 HB2 LEU A 40 37.848 -24.137 -18.614 1.00 0.00 H new ATOM 0 HB3 LEU A 40 37.139 -25.545 -17.848 1.00 0.00 H new ATOM 0 HG LEU A 40 36.991 -26.252 -19.967 1.00 0.00 H new ATOM 0 HD11 LEU A 40 34.810 -25.881 -21.057 1.00 0.00 H new ATOM 0 HD12 LEU A 40 34.679 -26.204 -19.312 1.00 0.00 H new ATOM 0 HD13 LEU A 40 34.497 -24.544 -19.926 1.00 0.00 H new ATOM 0 HD21 LEU A 40 36.792 -24.871 -22.008 1.00 0.00 H new ATOM 0 HD22 LEU A 40 36.725 -23.414 -20.988 1.00 0.00 H new ATOM 0 HD23 LEU A 40 38.187 -24.429 -20.995 1.00 0.00 H new ATOM 612 N THR A 41 36.408 -22.934 -15.586 1.00 0.00 N ATOM 613 CA THR A 41 36.265 -22.954 -14.122 1.00 0.00 C ATOM 614 C THR A 41 34.853 -22.557 -13.643 1.00 0.00 C ATOM 615 O THR A 41 34.332 -23.114 -12.675 1.00 0.00 O ATOM 616 CB THR A 41 37.323 -22.083 -13.423 1.00 0.00 C ATOM 617 OG1 THR A 41 38.589 -22.281 -14.042 1.00 0.00 O ATOM 618 CG2 THR A 41 37.444 -22.435 -11.938 1.00 0.00 C ATOM 0 H THR A 41 36.950 -22.160 -15.969 1.00 0.00 H new ATOM 0 HA THR A 41 36.427 -23.993 -13.836 1.00 0.00 H new ATOM 0 HB THR A 41 37.010 -21.043 -13.513 1.00 0.00 H new ATOM 0 HG1 THR A 41 38.706 -21.628 -14.763 1.00 0.00 H new ATOM 0 HG21 THR A 41 38.200 -21.801 -11.474 1.00 0.00 H new ATOM 0 HG22 THR A 41 36.484 -22.274 -11.447 1.00 0.00 H new ATOM 0 HG23 THR A 41 37.734 -23.481 -11.834 1.00 0.00 H new ATOM 626 N LYS A 42 34.226 -21.589 -14.314 1.00 0.00 N ATOM 627 CA LYS A 42 32.918 -21.115 -13.836 1.00 0.00 C ATOM 628 C LYS A 42 31.715 -21.808 -14.481 1.00 0.00 C ATOM 629 O LYS A 42 30.794 -22.240 -13.786 1.00 0.00 O ATOM 630 CB LYS A 42 32.757 -19.591 -13.939 1.00 0.00 C ATOM 631 CG LYS A 42 33.804 -18.841 -13.103 1.00 0.00 C ATOM 632 CD LYS A 42 33.372 -17.391 -12.846 1.00 0.00 C ATOM 633 CE LYS A 42 33.340 -16.564 -14.141 1.00 0.00 C ATOM 634 NZ LYS A 42 34.293 -15.439 -14.049 1.00 0.00 N ATOM 0 H LYS A 42 34.580 -21.132 -15.154 1.00 0.00 H new ATOM 0 HA LYS A 42 32.920 -21.396 -12.783 1.00 0.00 H new ATOM 0 HB2 LYS A 42 32.842 -19.288 -14.982 1.00 0.00 H new ATOM 0 HB3 LYS A 42 31.758 -19.309 -13.606 1.00 0.00 H new ATOM 0 HG2 LYS A 42 33.950 -19.354 -12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 42 34.763 -18.851 -13.621 1.00 0.00 H new ATOM 0 HD2 LYS A 42 32.384 -17.383 -12.386 1.00 0.00 H new ATOM 0 HD3 LYS A 42 34.058 -16.928 -12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 42 33.593 -17.196 -14.992 1.00 0.00 H new ATOM 0 HE3 LYS A 42 32.333 -16.184 -14.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 34.191 -14.829 -14.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 34.096 -14.886 -13.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 35.264 -15.809 -14.007 1.00 0.00 H new ATOM 648 N LEU A 43 31.682 -21.883 -15.812 1.00 0.00 N ATOM 649 CA LEU A 43 30.545 -22.539 -16.452 1.00 0.00 C ATOM 650 C LEU A 43 30.400 -24.011 -16.020 1.00 0.00 C ATOM 651 O LEU A 43 29.298 -24.559 -15.986 1.00 0.00 O ATOM 652 CB LEU A 43 30.564 -22.271 -17.978 1.00 0.00 C ATOM 653 CG LEU A 43 30.164 -23.461 -18.867 1.00 0.00 C ATOM 654 CD1 LEU A 43 28.899 -23.147 -19.653 1.00 0.00 C ATOM 655 CD2 LEU A 43 31.260 -23.771 -19.875 1.00 0.00 C ATOM 0 H LEU A 43 32.395 -21.516 -16.443 1.00 0.00 H new ATOM 0 HA LEU A 43 29.615 -22.095 -16.097 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.892 -21.439 -18.191 1.00 0.00 H new ATOM 0 HB3 LEU A 43 31.567 -21.951 -18.260 1.00 0.00 H new ATOM 0 HG LEU A 43 30.000 -24.313 -18.207 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.635 -24.003 -20.275 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.084 -22.936 -18.961 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.071 -22.277 -20.287 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.957 -24.616 -20.494 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.429 -22.900 -20.508 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.180 -24.020 -19.347 1.00 0.00 H new ATOM 667 N GLY A 44 31.508 -24.652 -15.654 1.00 0.00 N ATOM 668 CA GLY A 44 31.394 -26.028 -15.168 1.00 0.00 C ATOM 669 C GLY A 44 32.508 -26.292 -14.171 1.00 0.00 C ATOM 670 O GLY A 44 32.388 -26.016 -12.977 1.00 0.00 O ATOM 0 H GLY A 44 32.452 -24.266 -15.681 1.00 0.00 H new ATOM 0 HA2 GLY A 44 30.423 -26.182 -14.698 1.00 0.00 H new ATOM 0 HA3 GLY A 44 31.460 -26.728 -16.001 1.00 0.00 H new ATOM 674 N GLN A 45 33.614 -26.814 -14.679 1.00 0.00 N ATOM 675 CA GLN A 45 34.774 -27.024 -13.802 1.00 0.00 C ATOM 676 C GLN A 45 36.005 -27.440 -14.611 1.00 0.00 C ATOM 677 O GLN A 45 37.009 -26.729 -14.659 1.00 0.00 O ATOM 678 CB GLN A 45 34.532 -28.011 -12.645 1.00 0.00 C ATOM 679 CG GLN A 45 35.444 -27.704 -11.450 1.00 0.00 C ATOM 680 CD GLN A 45 35.258 -28.728 -10.340 1.00 0.00 C ATOM 681 OE1 GLN A 45 35.993 -29.707 -10.233 1.00 0.00 O ATOM 682 NE2 GLN A 45 34.267 -28.513 -9.496 1.00 0.00 N ATOM 0 H GLN A 45 33.741 -27.093 -15.652 1.00 0.00 H new ATOM 0 HA GLN A 45 34.953 -26.057 -13.332 1.00 0.00 H new ATOM 0 HB2 GLN A 45 33.489 -27.959 -12.332 1.00 0.00 H new ATOM 0 HB3 GLN A 45 34.711 -29.029 -12.990 1.00 0.00 H new ATOM 0 HG2 GLN A 45 36.485 -27.700 -11.775 1.00 0.00 H new ATOM 0 HG3 GLN A 45 35.225 -26.706 -11.069 1.00 0.00 H new ATOM 0 HE21 GLN A 45 33.671 -27.692 -9.607 1.00 0.00 H new ATOM 0 HE22 GLN A 45 34.096 -29.167 -8.732 1.00 0.00 H new ATOM 691 N THR A 46 35.925 -28.598 -15.263 1.00 0.00 N ATOM 692 CA THR A 46 37.074 -29.084 -16.032 1.00 0.00 C ATOM 693 C THR A 46 36.710 -30.398 -16.798 1.00 0.00 C ATOM 694 O THR A 46 35.713 -31.040 -16.464 1.00 0.00 O ATOM 695 CB THR A 46 38.328 -29.298 -15.153 1.00 0.00 C ATOM 696 OG1 THR A 46 39.312 -30.038 -15.862 1.00 0.00 O ATOM 697 CG2 THR A 46 37.984 -30.041 -13.853 1.00 0.00 C ATOM 0 H THR A 46 35.104 -29.203 -15.278 1.00 0.00 H new ATOM 0 HA THR A 46 37.321 -28.308 -16.756 1.00 0.00 H new ATOM 0 HB THR A 46 38.718 -28.312 -14.901 1.00 0.00 H new ATOM 0 HG1 THR A 46 40.100 -30.164 -15.293 1.00 0.00 H new ATOM 0 HG21 THR A 46 38.889 -30.174 -13.260 1.00 0.00 H new ATOM 0 HG22 THR A 46 37.259 -29.460 -13.283 1.00 0.00 H new ATOM 0 HG23 THR A 46 37.560 -31.016 -14.093 1.00 0.00 H new ATOM 705 N TYR A 47 37.503 -30.853 -17.789 1.00 0.00 N ATOM 706 CA TYR A 47 37.040 -32.028 -18.552 1.00 0.00 C ATOM 707 C TYR A 47 37.823 -33.286 -18.116 1.00 0.00 C ATOM 708 O TYR A 47 37.607 -33.809 -17.022 1.00 0.00 O ATOM 709 CB TYR A 47 37.078 -31.805 -20.075 1.00 0.00 C ATOM 710 CG TYR A 47 35.787 -31.227 -20.656 1.00 0.00 C ATOM 711 CD1 TYR A 47 35.588 -29.888 -20.588 1.00 0.00 C ATOM 712 CD2 TYR A 47 35.052 -31.955 -21.543 1.00 0.00 C ATOM 713 CE1 TYR A 47 34.434 -29.355 -21.075 1.00 0.00 C ATOM 714 CE2 TYR A 47 33.912 -31.419 -22.062 1.00 0.00 C ATOM 715 CZ TYR A 47 33.608 -30.119 -21.827 1.00 0.00 C ATOM 716 OH TYR A 47 32.563 -29.532 -22.492 1.00 0.00 O ATOM 0 H TYR A 47 38.402 -30.460 -18.066 1.00 0.00 H new ATOM 0 HA TYR A 47 35.988 -32.186 -18.316 1.00 0.00 H new ATOM 0 HB2 TYR A 47 37.903 -31.133 -20.312 1.00 0.00 H new ATOM 0 HB3 TYR A 47 37.290 -32.755 -20.565 1.00 0.00 H new ATOM 0 HD1 TYR A 47 36.340 -29.248 -20.150 1.00 0.00 H new ATOM 0 HD2 TYR A 47 35.370 -32.946 -21.831 1.00 0.00 H new ATOM 0 HE1 TYR A 47 34.179 -28.327 -20.862 1.00 0.00 H new ATOM 0 HE2 TYR A 47 33.251 -32.029 -22.660 1.00 0.00 H new ATOM 0 HH TYR A 47 32.806 -29.402 -23.433 1.00 0.00 H new ATOM 726 N THR A 48 38.754 -33.767 -18.947 1.00 0.00 N ATOM 727 CA THR A 48 39.596 -34.881 -18.493 1.00 0.00 C ATOM 728 C THR A 48 40.939 -34.370 -17.943 1.00 0.00 C ATOM 729 O THR A 48 41.065 -34.090 -16.750 1.00 0.00 O ATOM 730 CB THR A 48 39.768 -35.974 -19.565 1.00 0.00 C ATOM 731 OG1 THR A 48 38.500 -36.301 -20.116 1.00 0.00 O ATOM 732 CG2 THR A 48 40.385 -37.242 -18.969 1.00 0.00 C ATOM 0 H THR A 48 38.940 -33.425 -19.890 1.00 0.00 H new ATOM 0 HA THR A 48 39.073 -35.366 -17.669 1.00 0.00 H new ATOM 0 HB THR A 48 40.434 -35.588 -20.337 1.00 0.00 H new ATOM 0 HG1 THR A 48 38.609 -36.995 -20.799 1.00 0.00 H new ATOM 0 HG21 THR A 48 40.494 -37.995 -19.749 1.00 0.00 H new ATOM 0 HG22 THR A 48 41.364 -37.008 -18.551 1.00 0.00 H new ATOM 0 HG23 THR A 48 39.737 -37.627 -18.182 1.00 0.00 H new ATOM 740 N LYS A 49 41.944 -34.211 -18.807 1.00 0.00 N ATOM 741 CA LYS A 49 43.241 -33.733 -18.302 1.00 0.00 C ATOM 742 C LYS A 49 44.172 -33.191 -19.400 1.00 0.00 C ATOM 743 O LYS A 49 44.708 -32.089 -19.289 1.00 0.00 O ATOM 744 CB LYS A 49 43.970 -34.800 -17.457 1.00 0.00 C ATOM 745 CG LYS A 49 44.656 -34.198 -16.220 1.00 0.00 C ATOM 746 CD LYS A 49 46.005 -33.554 -16.568 1.00 0.00 C ATOM 747 CE LYS A 49 46.009 -32.061 -16.229 1.00 0.00 C ATOM 748 NZ LYS A 49 47.320 -31.478 -16.561 1.00 0.00 N ATOM 0 H LYS A 49 41.898 -34.394 -19.809 1.00 0.00 H new ATOM 0 HA LYS A 49 42.992 -32.891 -17.656 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.255 -35.559 -17.140 1.00 0.00 H new ATOM 0 HB3 LYS A 49 44.715 -35.302 -18.074 1.00 0.00 H new ATOM 0 HG2 LYS A 49 44.002 -33.450 -15.771 1.00 0.00 H new ATOM 0 HG3 LYS A 49 44.808 -34.978 -15.474 1.00 0.00 H new ATOM 0 HD2 LYS A 49 46.803 -34.056 -16.021 1.00 0.00 H new ATOM 0 HD3 LYS A 49 46.213 -33.689 -17.629 1.00 0.00 H new ATOM 0 HE2 LYS A 49 45.222 -31.550 -16.785 1.00 0.00 H new ATOM 0 HE3 LYS A 49 45.795 -31.919 -15.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 47.206 -30.466 -16.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 47.965 -31.592 -15.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 47.716 -31.963 -17.391 1.00 0.00 H new ATOM 762 N ARG A 50 44.388 -33.972 -20.456 1.00 0.00 N ATOM 763 CA ARG A 50 45.382 -33.574 -21.469 1.00 0.00 C ATOM 764 C ARG A 50 44.795 -32.777 -22.649 1.00 0.00 C ATOM 765 O ARG A 50 45.210 -31.652 -22.937 1.00 0.00 O ATOM 766 CB ARG A 50 46.209 -34.805 -21.906 1.00 0.00 C ATOM 767 CG ARG A 50 46.945 -34.640 -23.254 1.00 0.00 C ATOM 768 CD ARG A 50 46.863 -35.913 -24.110 1.00 0.00 C ATOM 769 NE ARG A 50 45.459 -36.317 -24.300 1.00 0.00 N ATOM 770 CZ ARG A 50 45.143 -37.084 -25.333 1.00 0.00 C ATOM 771 NH1 ARG A 50 45.572 -36.792 -26.544 1.00 0.00 N ATOM 772 NH2 ARG A 50 44.346 -38.114 -25.152 1.00 0.00 N ATOM 0 H ARG A 50 43.911 -34.855 -20.637 1.00 0.00 H new ATOM 0 HA ARG A 50 46.059 -32.861 -20.999 1.00 0.00 H new ATOM 0 HB2 ARG A 50 46.943 -35.027 -21.131 1.00 0.00 H new ATOM 0 HB3 ARG A 50 45.545 -35.667 -21.973 1.00 0.00 H new ATOM 0 HG2 ARG A 50 46.513 -33.804 -23.804 1.00 0.00 H new ATOM 0 HG3 ARG A 50 47.991 -34.393 -23.069 1.00 0.00 H new ATOM 0 HD2 ARG A 50 47.332 -35.738 -25.078 1.00 0.00 H new ATOM 0 HD3 ARG A 50 47.417 -36.719 -23.629 1.00 0.00 H new ATOM 0 HE ARG A 50 44.740 -36.010 -23.645 1.00 0.00 H new ATOM 0 HH11 ARG A 50 46.154 -35.968 -26.694 1.00 0.00 H new ATOM 0 HH12 ARG A 50 45.322 -37.390 -27.332 1.00 0.00 H new ATOM 0 HH21 ARG A 50 43.977 -38.316 -24.223 1.00 0.00 H new ATOM 0 HH22 ARG A 50 44.097 -38.711 -25.941 1.00 0.00 H new ATOM 786 N GLU A 51 43.848 -33.364 -23.368 1.00 0.00 N ATOM 787 CA GLU A 51 43.384 -32.703 -24.597 1.00 0.00 C ATOM 788 C GLU A 51 42.327 -31.605 -24.355 1.00 0.00 C ATOM 789 O GLU A 51 42.200 -30.639 -25.112 1.00 0.00 O ATOM 790 CB GLU A 51 42.999 -33.726 -25.671 1.00 0.00 C ATOM 791 CG GLU A 51 43.285 -33.210 -27.091 1.00 0.00 C ATOM 792 CD GLU A 51 44.780 -33.188 -27.394 1.00 0.00 C ATOM 793 OE1 GLU A 51 45.451 -34.227 -27.211 1.00 0.00 O ATOM 794 OE2 GLU A 51 45.290 -32.130 -27.819 1.00 0.00 O ATOM 0 H GLU A 51 43.399 -34.252 -23.144 1.00 0.00 H new ATOM 0 HA GLU A 51 44.233 -32.148 -24.996 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.551 -34.651 -25.504 1.00 0.00 H new ATOM 0 HB3 GLU A 51 41.940 -33.966 -25.579 1.00 0.00 H new ATOM 0 HG2 GLU A 51 42.776 -33.843 -27.818 1.00 0.00 H new ATOM 0 HG3 GLU A 51 42.877 -32.206 -27.202 1.00 0.00 H new ATOM 801 N THR A 52 41.562 -31.711 -23.281 1.00 0.00 N ATOM 802 CA THR A 52 40.791 -30.537 -22.865 1.00 0.00 C ATOM 803 C THR A 52 41.728 -29.420 -22.342 1.00 0.00 C ATOM 804 O THR A 52 41.454 -28.228 -22.470 1.00 0.00 O ATOM 805 CB THR A 52 39.638 -30.841 -21.906 1.00 0.00 C ATOM 806 OG1 THR A 52 39.726 -32.184 -21.457 1.00 0.00 O ATOM 807 CG2 THR A 52 38.271 -30.662 -22.593 1.00 0.00 C ATOM 0 H THR A 52 41.455 -32.546 -22.705 1.00 0.00 H new ATOM 0 HA THR A 52 40.293 -30.169 -23.762 1.00 0.00 H new ATOM 0 HB THR A 52 39.717 -30.144 -21.072 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.564 -32.310 -20.965 1.00 0.00 H new ATOM 0 HG21 THR A 52 37.475 -30.886 -21.883 1.00 0.00 H new ATOM 0 HG22 THR A 52 38.170 -29.633 -22.939 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.200 -31.340 -23.444 1.00 0.00 H new ATOM 815 N GLU A 53 42.863 -29.811 -21.763 1.00 0.00 N ATOM 816 CA GLU A 53 43.958 -28.833 -21.593 1.00 0.00 C ATOM 817 C GLU A 53 44.312 -28.171 -22.942 1.00 0.00 C ATOM 818 O GLU A 53 44.677 -26.999 -23.007 1.00 0.00 O ATOM 819 CB GLU A 53 45.227 -29.432 -20.970 1.00 0.00 C ATOM 820 CG GLU A 53 45.462 -28.931 -19.537 1.00 0.00 C ATOM 821 CD GLU A 53 46.844 -29.314 -19.016 1.00 0.00 C ATOM 822 OE1 GLU A 53 47.710 -29.724 -19.821 1.00 0.00 O ATOM 823 OE2 GLU A 53 47.070 -29.202 -17.792 1.00 0.00 O ATOM 0 H GLU A 53 43.053 -30.751 -21.415 1.00 0.00 H new ATOM 0 HA GLU A 53 43.581 -28.086 -20.894 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.149 -30.519 -20.965 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.088 -29.177 -21.588 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.352 -27.847 -19.510 1.00 0.00 H new ATOM 0 HG3 GLU A 53 44.699 -29.346 -18.878 1.00 0.00 H new ATOM 830 N ALA A 54 44.240 -28.958 -24.018 1.00 0.00 N ATOM 831 CA ALA A 54 44.295 -28.363 -25.369 1.00 0.00 C ATOM 832 C ALA A 54 43.268 -27.251 -25.558 1.00 0.00 C ATOM 833 O ALA A 54 43.582 -26.199 -26.107 1.00 0.00 O ATOM 834 CB ALA A 54 44.076 -29.355 -26.511 1.00 0.00 C ATOM 0 H ALA A 54 44.147 -29.973 -23.993 1.00 0.00 H new ATOM 0 HA ALA A 54 45.313 -27.978 -25.421 1.00 0.00 H new ATOM 0 HB1 ALA A 54 44.133 -28.830 -27.465 1.00 0.00 H new ATOM 0 HB2 ALA A 54 44.845 -30.127 -26.475 1.00 0.00 H new ATOM 0 HB3 ALA A 54 43.094 -29.816 -26.409 1.00 0.00 H new ATOM 840 N ILE A 55 42.012 -27.498 -25.164 1.00 0.00 N ATOM 841 CA ILE A 55 41.040 -26.369 -25.115 1.00 0.00 C ATOM 842 C ILE A 55 41.709 -25.119 -24.512 1.00 0.00 C ATOM 843 O ILE A 55 41.819 -24.051 -25.126 1.00 0.00 O ATOM 844 CB ILE A 55 39.798 -26.561 -24.196 1.00 0.00 C ATOM 845 CG1 ILE A 55 38.895 -27.728 -24.491 1.00 0.00 C ATOM 846 CG2 ILE A 55 38.940 -25.299 -24.184 1.00 0.00 C ATOM 847 CD1 ILE A 55 37.858 -27.914 -23.393 1.00 0.00 C ATOM 0 H ILE A 55 41.648 -28.409 -24.887 1.00 0.00 H new ATOM 0 HA ILE A 55 40.724 -26.293 -26.155 1.00 0.00 H new ATOM 0 HB ILE A 55 40.251 -26.778 -23.229 1.00 0.00 H new ATOM 0 HG12 ILE A 55 38.393 -27.570 -25.446 1.00 0.00 H new ATOM 0 HG13 ILE A 55 39.490 -28.636 -24.590 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.077 -25.452 -23.536 1.00 0.00 H new ATOM 0 HG22 ILE A 55 39.530 -24.462 -23.811 1.00 0.00 H new ATOM 0 HG23 ILE A 55 38.600 -25.081 -25.196 1.00 0.00 H new ATOM 0 HD11 ILE A 55 37.221 -28.765 -23.635 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.362 -28.096 -22.444 1.00 0.00 H new ATOM 0 HD13 ILE A 55 37.248 -27.014 -23.313 1.00 0.00 H new ATOM 859 N MET A 56 42.159 -25.305 -23.278 1.00 0.00 N ATOM 860 CA MET A 56 42.700 -24.190 -22.501 1.00 0.00 C ATOM 861 C MET A 56 43.935 -23.521 -23.122 1.00 0.00 C ATOM 862 O MET A 56 44.148 -22.314 -22.999 1.00 0.00 O ATOM 863 CB MET A 56 42.948 -24.673 -21.066 1.00 0.00 C ATOM 864 CG MET A 56 41.644 -25.182 -20.426 1.00 0.00 C ATOM 865 SD MET A 56 41.832 -26.895 -19.872 1.00 0.00 S ATOM 866 CE MET A 56 40.101 -27.442 -19.833 1.00 0.00 C ATOM 0 H MET A 56 42.162 -26.204 -22.796 1.00 0.00 H new ATOM 0 HA MET A 56 41.958 -23.391 -22.501 1.00 0.00 H new ATOM 0 HB2 MET A 56 43.692 -25.470 -21.069 1.00 0.00 H new ATOM 0 HB3 MET A 56 43.357 -23.858 -20.469 1.00 0.00 H new ATOM 0 HG2 MET A 56 41.376 -24.548 -19.581 1.00 0.00 H new ATOM 0 HG3 MET A 56 40.829 -25.115 -21.146 1.00 0.00 H new ATOM 0 HE1 MET A 56 40.056 -28.487 -19.526 1.00 0.00 H new ATOM 0 HE2 MET A 56 39.542 -26.831 -19.124 1.00 0.00 H new ATOM 0 HE3 MET A 56 39.664 -27.336 -20.826 1.00 0.00 H new ATOM 876 N LYS A 57 44.742 -24.315 -23.808 1.00 0.00 N ATOM 877 CA LYS A 57 45.917 -23.745 -24.486 1.00 0.00 C ATOM 878 C LYS A 57 45.593 -23.138 -25.865 1.00 0.00 C ATOM 879 O LYS A 57 46.111 -22.083 -26.234 1.00 0.00 O ATOM 880 CB LYS A 57 47.052 -24.769 -24.629 1.00 0.00 C ATOM 881 CG LYS A 57 47.570 -25.240 -23.265 1.00 0.00 C ATOM 882 CD LYS A 57 48.090 -26.678 -23.347 1.00 0.00 C ATOM 883 CE LYS A 57 48.299 -27.254 -21.947 1.00 0.00 C ATOM 884 NZ LYS A 57 48.667 -28.678 -22.036 1.00 0.00 N ATOM 0 H LYS A 57 44.621 -25.322 -23.914 1.00 0.00 H new ATOM 0 HA LYS A 57 46.248 -22.933 -23.838 1.00 0.00 H new ATOM 0 HB2 LYS A 57 46.697 -25.628 -25.199 1.00 0.00 H new ATOM 0 HB3 LYS A 57 47.871 -24.327 -25.196 1.00 0.00 H new ATOM 0 HG2 LYS A 57 48.368 -24.579 -22.926 1.00 0.00 H new ATOM 0 HG3 LYS A 57 46.770 -25.179 -22.527 1.00 0.00 H new ATOM 0 HD2 LYS A 57 47.381 -27.296 -23.898 1.00 0.00 H new ATOM 0 HD3 LYS A 57 49.029 -26.700 -23.899 1.00 0.00 H new ATOM 0 HE2 LYS A 57 49.082 -26.699 -21.430 1.00 0.00 H new ATOM 0 HE3 LYS A 57 47.388 -27.142 -21.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 48.625 -29.107 -21.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 48.004 -29.169 -22.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 49.633 -28.764 -22.413 1.00 0.00 H new ATOM 898 N GLU A 58 44.745 -23.815 -26.640 1.00 0.00 N ATOM 899 CA GLU A 58 44.422 -23.316 -27.992 1.00 0.00 C ATOM 900 C GLU A 58 43.560 -22.037 -28.024 1.00 0.00 C ATOM 901 O GLU A 58 43.520 -21.329 -29.031 1.00 0.00 O ATOM 902 CB GLU A 58 43.817 -24.417 -28.886 1.00 0.00 C ATOM 903 CG GLU A 58 42.336 -24.689 -28.567 1.00 0.00 C ATOM 904 CD GLU A 58 41.812 -25.921 -29.304 1.00 0.00 C ATOM 905 OE1 GLU A 58 41.887 -25.961 -30.551 1.00 0.00 O ATOM 906 OE2 GLU A 58 41.308 -26.849 -28.635 1.00 0.00 O ATOM 0 H GLU A 58 44.279 -24.682 -26.374 1.00 0.00 H new ATOM 0 HA GLU A 58 45.386 -23.023 -28.407 1.00 0.00 H new ATOM 0 HB2 GLU A 58 43.912 -24.124 -29.932 1.00 0.00 H new ATOM 0 HB3 GLU A 58 44.387 -25.337 -28.759 1.00 0.00 H new ATOM 0 HG2 GLU A 58 42.216 -24.830 -27.493 1.00 0.00 H new ATOM 0 HG3 GLU A 58 41.739 -23.820 -28.843 1.00 0.00 H new ATOM 913 N ALA A 59 42.861 -21.743 -26.928 1.00 0.00 N ATOM 914 CA ALA A 59 42.019 -20.534 -26.905 1.00 0.00 C ATOM 915 C ALA A 59 42.727 -19.245 -27.350 1.00 0.00 C ATOM 916 O ALA A 59 42.145 -18.401 -28.029 1.00 0.00 O ATOM 917 CB ALA A 59 41.342 -20.353 -25.548 1.00 0.00 C ATOM 0 H ALA A 59 42.854 -22.297 -26.072 1.00 0.00 H new ATOM 0 HA ALA A 59 41.255 -20.712 -27.662 1.00 0.00 H new ATOM 0 HB1 ALA A 59 40.728 -19.452 -25.565 1.00 0.00 H new ATOM 0 HB2 ALA A 59 40.712 -21.217 -25.338 1.00 0.00 H new ATOM 0 HB3 ALA A 59 42.102 -20.260 -24.772 1.00 0.00 H new ATOM 923 N ARG A 60 43.965 -19.053 -26.910 1.00 0.00 N ATOM 924 CA ARG A 60 44.782 -17.969 -27.522 1.00 0.00 C ATOM 925 C ARG A 60 44.898 -18.126 -29.055 1.00 0.00 C ATOM 926 O ARG A 60 44.065 -17.602 -29.796 1.00 0.00 O ATOM 927 CB ARG A 60 46.136 -17.819 -26.807 1.00 0.00 C ATOM 928 CG ARG A 60 46.930 -16.594 -27.285 1.00 0.00 C ATOM 929 CD ARG A 60 46.631 -15.365 -26.423 1.00 0.00 C ATOM 930 NE ARG A 60 47.508 -14.253 -26.809 1.00 0.00 N ATOM 931 CZ ARG A 60 47.354 -13.072 -26.221 1.00 0.00 C ATOM 932 NH1 ARG A 60 46.168 -12.679 -25.794 1.00 0.00 N ATOM 933 NH2 ARG A 60 48.392 -12.273 -26.088 1.00 0.00 N ATOM 0 H ARG A 60 44.421 -19.591 -26.174 1.00 0.00 H new ATOM 0 HA ARG A 60 44.258 -17.025 -27.372 1.00 0.00 H new ATOM 0 HB2 ARG A 60 45.968 -17.740 -25.733 1.00 0.00 H new ATOM 0 HB3 ARG A 60 46.730 -18.718 -26.972 1.00 0.00 H new ATOM 0 HG2 ARG A 60 47.997 -16.814 -27.251 1.00 0.00 H new ATOM 0 HG3 ARG A 60 46.682 -16.380 -28.325 1.00 0.00 H new ATOM 0 HD2 ARG A 60 45.587 -15.073 -26.541 1.00 0.00 H new ATOM 0 HD3 ARG A 60 46.777 -15.605 -25.370 1.00 0.00 H new ATOM 0 HE ARG A 60 48.227 -14.386 -27.520 1.00 0.00 H new ATOM 0 HH11 ARG A 60 45.356 -13.285 -25.914 1.00 0.00 H new ATOM 0 HH12 ARG A 60 46.064 -11.770 -25.344 1.00 0.00 H new ATOM 0 HH21 ARG A 60 49.306 -12.563 -26.435 1.00 0.00 H new ATOM 0 HH22 ARG A 60 48.282 -11.364 -25.638 1.00 0.00 H new ATOM 1031 N LYS A 67 45.695 -12.551 -29.362 1.00 0.00 N ATOM 1032 CA LYS A 67 44.731 -13.476 -29.960 1.00 0.00 C ATOM 1033 C LYS A 67 43.573 -13.843 -29.035 1.00 0.00 C ATOM 1034 O LYS A 67 43.747 -14.197 -27.867 1.00 0.00 O ATOM 1035 CB LYS A 67 45.427 -14.723 -30.531 1.00 0.00 C ATOM 1036 CG LYS A 67 45.640 -14.628 -32.049 1.00 0.00 C ATOM 1037 CD LYS A 67 46.662 -13.546 -32.412 1.00 0.00 C ATOM 1038 CE LYS A 67 47.002 -13.603 -33.902 1.00 0.00 C ATOM 1039 NZ LYS A 67 47.847 -12.453 -34.269 1.00 0.00 N ATOM 0 HA LYS A 67 44.276 -12.935 -30.790 1.00 0.00 H new ATOM 0 HB2 LYS A 67 46.390 -14.856 -30.039 1.00 0.00 H new ATOM 0 HB3 LYS A 67 44.829 -15.606 -30.305 1.00 0.00 H new ATOM 0 HG2 LYS A 67 45.979 -15.591 -32.430 1.00 0.00 H new ATOM 0 HG3 LYS A 67 44.690 -14.409 -32.537 1.00 0.00 H new ATOM 0 HD2 LYS A 67 46.263 -12.563 -32.162 1.00 0.00 H new ATOM 0 HD3 LYS A 67 47.568 -13.682 -31.821 1.00 0.00 H new ATOM 0 HE2 LYS A 67 47.521 -14.534 -34.130 1.00 0.00 H new ATOM 0 HE3 LYS A 67 46.086 -13.596 -34.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 48.074 -12.499 -35.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 47.337 -11.569 -34.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 48.727 -12.478 -33.716 1.00 0.00 H new ATOM 1053 N ASN A 68 42.370 -13.734 -29.582 1.00 0.00 N ATOM 1054 CA ASN A 68 41.185 -14.159 -28.828 1.00 0.00 C ATOM 1055 C ASN A 68 40.305 -15.006 -29.729 1.00 0.00 C ATOM 1056 O ASN A 68 40.275 -14.820 -30.947 1.00 0.00 O ATOM 1057 CB ASN A 68 40.301 -13.046 -28.218 1.00 0.00 C ATOM 1058 CG ASN A 68 40.780 -11.626 -28.498 1.00 0.00 C ATOM 1059 OD1 ASN A 68 41.001 -10.822 -27.594 1.00 0.00 O ATOM 1060 ND2 ASN A 68 40.910 -11.301 -29.766 1.00 0.00 N ATOM 0 H ASN A 68 42.184 -13.368 -30.516 1.00 0.00 H new ATOM 0 HA ASN A 68 41.596 -14.699 -27.975 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.287 -13.155 -28.602 1.00 0.00 H new ATOM 0 HB3 ASN A 68 40.250 -13.192 -27.139 1.00 0.00 H new ATOM 0 HD21 ASN A 68 41.202 -10.358 -30.023 1.00 0.00 H new ATOM 0 HD22 ASN A 68 40.719 -11.992 -30.492 1.00 0.00 H new ATOM 1067 N ILE A 69 39.555 -15.927 -29.143 1.00 0.00 N ATOM 1068 CA ILE A 69 38.694 -16.742 -29.995 1.00 0.00 C ATOM 1069 C ILE A 69 37.256 -16.261 -30.035 1.00 0.00 C ATOM 1070 O ILE A 69 36.486 -16.314 -29.076 1.00 0.00 O ATOM 1071 CB ILE A 69 38.807 -18.243 -29.825 1.00 0.00 C ATOM 1072 CG1 ILE A 69 38.585 -18.697 -28.375 1.00 0.00 C ATOM 1073 CG2 ILE A 69 40.189 -18.665 -30.327 1.00 0.00 C ATOM 1074 CD1 ILE A 69 38.571 -20.224 -28.257 1.00 0.00 C ATOM 0 H ILE A 69 39.520 -16.125 -28.143 1.00 0.00 H new ATOM 0 HA ILE A 69 39.114 -16.571 -30.986 1.00 0.00 H new ATOM 0 HB ILE A 69 38.020 -18.725 -30.405 1.00 0.00 H new ATOM 0 HG12 ILE A 69 39.373 -18.290 -27.741 1.00 0.00 H new ATOM 0 HG13 ILE A 69 37.641 -18.295 -28.008 1.00 0.00 H new ATOM 0 HG21 ILE A 69 40.302 -19.744 -30.218 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.293 -18.394 -31.378 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.958 -18.159 -29.744 1.00 0.00 H new ATOM 0 HD11 ILE A 69 38.412 -20.507 -27.217 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.766 -20.629 -28.871 1.00 0.00 H new ATOM 0 HD13 ILE A 69 39.525 -20.624 -28.600 1.00 0.00 H new ATOM 1086 N GLY A 70 36.924 -15.811 -31.219 1.00 0.00 N ATOM 1087 CA GLY A 70 35.622 -15.185 -31.432 1.00 0.00 C ATOM 1088 C GLY A 70 34.540 -16.168 -31.875 1.00 0.00 C ATOM 1089 O GLY A 70 34.557 -17.341 -31.506 1.00 0.00 O ATOM 0 H GLY A 70 37.520 -15.860 -32.046 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.305 -14.700 -30.509 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.722 -14.403 -32.185 1.00 0.00 H new ATOM 1093 N PRO A 71 33.551 -15.641 -32.617 1.00 0.00 N ATOM 1094 CA PRO A 71 32.296 -16.380 -32.867 1.00 0.00 C ATOM 1095 C PRO A 71 32.378 -17.914 -32.842 1.00 0.00 C ATOM 1096 O PRO A 71 31.660 -18.572 -32.092 1.00 0.00 O ATOM 1097 CB PRO A 71 31.807 -15.889 -34.238 1.00 0.00 C ATOM 1098 CG PRO A 71 32.790 -14.832 -34.738 1.00 0.00 C ATOM 1099 CD PRO A 71 33.900 -14.714 -33.698 1.00 0.00 C ATOM 0 HA PRO A 71 31.614 -16.172 -32.042 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.749 -16.719 -34.942 1.00 0.00 H new ATOM 0 HB3 PRO A 71 30.804 -15.469 -34.157 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.200 -15.117 -35.707 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.288 -13.874 -34.874 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.867 -14.968 -34.131 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.976 -13.693 -33.325 1.00 0.00 H new ATOM 1107 N GLU A 72 33.232 -18.492 -33.673 1.00 0.00 N ATOM 1108 CA GLU A 72 33.157 -19.946 -33.867 1.00 0.00 C ATOM 1109 C GLU A 72 34.225 -20.823 -33.183 1.00 0.00 C ATOM 1110 O GLU A 72 33.910 -21.930 -32.749 1.00 0.00 O ATOM 1111 CB GLU A 72 32.996 -20.291 -35.349 1.00 0.00 C ATOM 1112 CG GLU A 72 31.521 -20.441 -35.743 1.00 0.00 C ATOM 1113 CD GLU A 72 31.377 -20.662 -37.241 1.00 0.00 C ATOM 1114 OE1 GLU A 72 31.404 -21.831 -37.682 1.00 0.00 O ATOM 1115 OE2 GLU A 72 31.231 -19.667 -37.984 1.00 0.00 O ATOM 0 H GLU A 72 33.956 -18.010 -34.206 1.00 0.00 H new ATOM 0 HA GLU A 72 32.259 -20.221 -33.314 1.00 0.00 H new ATOM 0 HB2 GLU A 72 33.457 -19.511 -35.956 1.00 0.00 H new ATOM 0 HB3 GLU A 72 33.526 -21.218 -35.566 1.00 0.00 H new ATOM 0 HG2 GLU A 72 31.080 -21.280 -35.204 1.00 0.00 H new ATOM 0 HG3 GLU A 72 30.970 -19.548 -35.449 1.00 0.00 H new ATOM 1122 N GLU A 73 35.490 -20.385 -33.105 1.00 0.00 N ATOM 1123 CA GLU A 73 36.529 -21.292 -32.583 1.00 0.00 C ATOM 1124 C GLU A 73 36.174 -21.973 -31.250 1.00 0.00 C ATOM 1125 O GLU A 73 36.355 -23.180 -31.085 1.00 0.00 O ATOM 1126 CB GLU A 73 37.910 -20.624 -32.541 1.00 0.00 C ATOM 1127 CG GLU A 73 38.956 -21.473 -31.795 1.00 0.00 C ATOM 1128 CD GLU A 73 39.356 -22.707 -32.596 1.00 0.00 C ATOM 1129 OE1 GLU A 73 40.024 -22.554 -33.641 1.00 0.00 O ATOM 1130 OE2 GLU A 73 39.008 -23.834 -32.183 1.00 0.00 O ATOM 0 H GLU A 73 35.811 -19.457 -33.381 1.00 0.00 H new ATOM 0 HA GLU A 73 36.576 -22.106 -33.306 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.253 -20.444 -33.560 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.824 -19.651 -32.057 1.00 0.00 H new ATOM 0 HG2 GLU A 73 39.840 -20.867 -31.594 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.554 -21.780 -30.830 1.00 0.00 H new ATOM 1137 N TRP A 74 35.648 -21.214 -30.298 1.00 0.00 N ATOM 1138 CA TRP A 74 35.336 -21.822 -28.995 1.00 0.00 C ATOM 1139 C TRP A 74 34.260 -22.939 -29.085 1.00 0.00 C ATOM 1140 O TRP A 74 34.391 -24.007 -28.475 1.00 0.00 O ATOM 1141 CB TRP A 74 35.281 -20.743 -27.870 1.00 0.00 C ATOM 1142 CG TRP A 74 34.102 -20.786 -26.899 1.00 0.00 C ATOM 1143 CD1 TRP A 74 33.297 -19.655 -26.719 1.00 0.00 C ATOM 1144 CD2 TRP A 74 34.106 -21.470 -25.698 1.00 0.00 C ATOM 1145 NE1 TRP A 74 32.689 -19.662 -25.456 1.00 0.00 N ATOM 1146 CE2 TRP A 74 33.207 -20.819 -24.845 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.256 -22.013 -25.157 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 33.376 -20.925 -23.502 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 35.373 -22.100 -23.800 1.00 0.00 C ATOM 1150 CH2 TRP A 74 34.322 -21.769 -23.021 1.00 0.00 C ATOM 0 H TRP A 74 35.433 -20.221 -30.386 1.00 0.00 H new ATOM 0 HA TRP A 74 36.161 -22.439 -28.640 1.00 0.00 H new ATOM 0 HB2 TRP A 74 36.198 -20.820 -27.287 1.00 0.00 H new ATOM 0 HB3 TRP A 74 35.288 -19.762 -28.346 1.00 0.00 H new ATOM 0 HD1 TRP A 74 33.162 -18.878 -27.457 1.00 0.00 H new ATOM 0 HE1 TRP A 74 32.027 -18.988 -25.071 1.00 0.00 H new ATOM 0 HE3 TRP A 74 36.051 -22.363 -25.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 32.765 -20.345 -22.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.299 -22.431 -23.353 1.00 0.00 H new ATOM 0 HH2 TRP A 74 34.235 -22.173 -22.023 1.00 0.00 H new ATOM 1161 N LEU A 75 33.277 -22.773 -29.975 1.00 0.00 N ATOM 1162 CA LEU A 75 32.352 -23.894 -30.230 1.00 0.00 C ATOM 1163 C LEU A 75 32.936 -25.000 -31.142 1.00 0.00 C ATOM 1164 O LEU A 75 32.655 -26.181 -30.936 1.00 0.00 O ATOM 1165 CB LEU A 75 30.952 -23.479 -30.720 1.00 0.00 C ATOM 1166 CG LEU A 75 29.847 -24.221 -29.939 1.00 0.00 C ATOM 1167 CD1 LEU A 75 28.477 -23.953 -30.476 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.923 -25.715 -30.115 1.00 0.00 C ATOM 0 H LEU A 75 33.101 -21.922 -30.509 1.00 0.00 H new ATOM 0 HA LEU A 75 32.223 -24.320 -29.235 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.826 -22.403 -30.601 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.857 -23.695 -31.784 1.00 0.00 H new ATOM 0 HG LEU A 75 30.003 -23.876 -28.917 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.742 -24.501 -29.887 1.00 0.00 H new ATOM 0 HD12 LEU A 75 28.266 -22.885 -30.417 1.00 0.00 H new ATOM 0 HD13 LEU A 75 28.424 -24.277 -31.515 1.00 0.00 H new ATOM 0 HD21 LEU A 75 29.124 -26.190 -29.545 1.00 0.00 H new ATOM 0 HD22 LEU A 75 29.813 -25.963 -31.171 1.00 0.00 H new ATOM 0 HD23 LEU A 75 30.887 -26.075 -29.757 1.00 0.00 H new ATOM 1180 N THR A 76 33.743 -24.659 -32.155 1.00 0.00 N ATOM 1181 CA THR A 76 34.312 -25.740 -32.990 1.00 0.00 C ATOM 1182 C THR A 76 35.207 -26.692 -32.175 1.00 0.00 C ATOM 1183 O THR A 76 35.117 -27.914 -32.320 1.00 0.00 O ATOM 1184 CB THR A 76 34.986 -25.326 -34.306 1.00 0.00 C ATOM 1185 OG1 THR A 76 33.986 -24.962 -35.248 1.00 0.00 O ATOM 1186 CG2 THR A 76 35.944 -24.160 -34.139 1.00 0.00 C ATOM 0 H THR A 76 34.008 -23.708 -32.411 1.00 0.00 H new ATOM 0 HA THR A 76 33.422 -26.275 -33.321 1.00 0.00 H new ATOM 0 HB THR A 76 35.566 -26.182 -34.651 1.00 0.00 H new ATOM 0 HG1 THR A 76 34.411 -24.695 -36.090 1.00 0.00 H new ATOM 0 HG21 THR A 76 36.389 -23.914 -35.103 1.00 0.00 H new ATOM 0 HG22 THR A 76 35.401 -23.295 -33.758 1.00 0.00 H new ATOM 0 HG23 THR A 76 36.731 -24.433 -33.436 1.00 0.00 H new ATOM 1194 N LEU A 77 36.069 -26.163 -31.294 1.00 0.00 N ATOM 1195 CA LEU A 77 36.742 -27.081 -30.362 1.00 0.00 C ATOM 1196 C LEU A 77 35.721 -27.804 -29.494 1.00 0.00 C ATOM 1197 O LEU A 77 35.793 -29.015 -29.356 1.00 0.00 O ATOM 1198 CB LEU A 77 37.918 -26.532 -29.530 1.00 0.00 C ATOM 1199 CG LEU A 77 37.461 -25.527 -28.471 1.00 0.00 C ATOM 1200 CD1 LEU A 77 37.681 -25.965 -27.039 1.00 0.00 C ATOM 1201 CD2 LEU A 77 38.262 -24.256 -28.638 1.00 0.00 C ATOM 0 H LEU A 77 36.306 -25.175 -31.206 1.00 0.00 H new ATOM 0 HA LEU A 77 37.249 -27.783 -31.024 1.00 0.00 H new ATOM 0 HB2 LEU A 77 38.434 -27.360 -29.043 1.00 0.00 H new ATOM 0 HB3 LEU A 77 38.638 -26.054 -30.194 1.00 0.00 H new ATOM 0 HG LEU A 77 36.389 -25.411 -28.629 1.00 0.00 H new ATOM 0 HD11 LEU A 77 37.326 -25.188 -26.362 1.00 0.00 H new ATOM 0 HD12 LEU A 77 37.131 -26.888 -26.852 1.00 0.00 H new ATOM 0 HD13 LEU A 77 38.744 -26.135 -26.870 1.00 0.00 H new ATOM 0 HD21 LEU A 77 37.949 -23.528 -27.890 1.00 0.00 H new ATOM 0 HD22 LEU A 77 39.322 -24.475 -28.510 1.00 0.00 H new ATOM 0 HD23 LEU A 77 38.094 -23.848 -29.635 1.00 0.00 H new ATOM 1213 N CYS A 78 34.713 -27.108 -28.965 1.00 0.00 N ATOM 1214 CA CYS A 78 33.677 -27.836 -28.212 1.00 0.00 C ATOM 1215 C CYS A 78 33.055 -29.012 -28.999 1.00 0.00 C ATOM 1216 O CYS A 78 32.639 -30.008 -28.414 1.00 0.00 O ATOM 1217 CB CYS A 78 32.621 -26.912 -27.615 1.00 0.00 C ATOM 1218 SG CYS A 78 33.259 -26.209 -26.059 1.00 0.00 S ATOM 0 H CYS A 78 34.588 -26.098 -29.033 1.00 0.00 H new ATOM 0 HA CYS A 78 34.201 -28.290 -27.371 1.00 0.00 H new ATOM 0 HB2 CYS A 78 32.379 -26.114 -28.317 1.00 0.00 H new ATOM 0 HB3 CYS A 78 31.700 -27.464 -27.429 1.00 0.00 H new ATOM 0 HG CYS A 78 32.672 -25.073 -25.823 1.00 0.00 H new ATOM 1224 N SER A 79 33.022 -28.923 -30.330 1.00 0.00 N ATOM 1225 CA SER A 79 32.627 -30.104 -31.123 1.00 0.00 C ATOM 1226 C SER A 79 33.714 -31.203 -31.113 1.00 0.00 C ATOM 1227 O SER A 79 33.432 -32.385 -30.890 1.00 0.00 O ATOM 1228 CB SER A 79 32.188 -29.747 -32.549 1.00 0.00 C ATOM 1229 OG SER A 79 33.307 -29.357 -33.334 1.00 0.00 O ATOM 0 H SER A 79 33.252 -28.088 -30.869 1.00 0.00 H new ATOM 0 HA SER A 79 31.748 -30.517 -30.628 1.00 0.00 H new ATOM 0 HB2 SER A 79 31.695 -30.604 -33.009 1.00 0.00 H new ATOM 0 HB3 SER A 79 31.458 -28.938 -32.519 1.00 0.00 H new ATOM 0 HG SER A 79 33.704 -28.544 -32.957 1.00 0.00 H new ATOM 1235 N LYS A 80 34.970 -30.816 -31.357 1.00 0.00 N ATOM 1236 CA LYS A 80 36.079 -31.767 -31.128 1.00 0.00 C ATOM 1237 C LYS A 80 36.038 -32.396 -29.718 1.00 0.00 C ATOM 1238 O LYS A 80 36.305 -33.579 -29.519 1.00 0.00 O ATOM 1239 CB LYS A 80 37.455 -31.105 -31.307 1.00 0.00 C ATOM 1240 CG LYS A 80 37.781 -30.788 -32.776 1.00 0.00 C ATOM 1241 CD LYS A 80 38.368 -29.376 -32.950 1.00 0.00 C ATOM 1242 CE LYS A 80 39.573 -29.125 -32.030 1.00 0.00 C ATOM 1243 NZ LYS A 80 40.101 -27.759 -32.235 1.00 0.00 N ATOM 0 H LYS A 80 35.245 -29.895 -31.698 1.00 0.00 H new ATOM 0 HA LYS A 80 35.941 -32.546 -31.878 1.00 0.00 H new ATOM 0 HB2 LYS A 80 37.487 -30.183 -30.726 1.00 0.00 H new ATOM 0 HB3 LYS A 80 38.224 -31.763 -30.903 1.00 0.00 H new ATOM 0 HG2 LYS A 80 38.490 -31.524 -33.156 1.00 0.00 H new ATOM 0 HG3 LYS A 80 36.875 -30.879 -33.375 1.00 0.00 H new ATOM 0 HD2 LYS A 80 38.671 -29.237 -33.988 1.00 0.00 H new ATOM 0 HD3 LYS A 80 37.595 -28.636 -32.742 1.00 0.00 H new ATOM 0 HE2 LYS A 80 39.277 -29.255 -30.989 1.00 0.00 H new ATOM 0 HE3 LYS A 80 40.353 -29.858 -32.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 40.681 -27.485 -31.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 40.684 -27.738 -33.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 39.309 -27.092 -32.337 1.00 0.00 H new ATOM 1257 N TRP A 81 35.704 -31.562 -28.744 1.00 0.00 N ATOM 1258 CA TRP A 81 35.572 -32.017 -27.363 1.00 0.00 C ATOM 1259 C TRP A 81 34.306 -32.857 -27.128 1.00 0.00 C ATOM 1260 O TRP A 81 34.265 -33.708 -26.239 1.00 0.00 O ATOM 1261 CB TRP A 81 35.726 -30.828 -26.382 1.00 0.00 C ATOM 1262 CG TRP A 81 37.161 -30.285 -26.379 1.00 0.00 C ATOM 1263 CD1 TRP A 81 37.712 -29.628 -27.494 1.00 0.00 C ATOM 1264 CD2 TRP A 81 38.151 -31.075 -25.862 1.00 0.00 C ATOM 1265 NE1 TRP A 81 39.021 -30.098 -27.743 1.00 0.00 N ATOM 1266 CE2 TRP A 81 39.251 -31.021 -26.713 1.00 0.00 C ATOM 1267 CE3 TRP A 81 37.878 -32.214 -25.160 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 39.958 -32.165 -26.937 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 38.674 -33.291 -25.301 1.00 0.00 C ATOM 1270 CH2 TRP A 81 39.670 -33.285 -26.216 1.00 0.00 C ATOM 0 H TRP A 81 35.519 -30.568 -28.881 1.00 0.00 H new ATOM 0 HA TRP A 81 36.391 -32.706 -27.156 1.00 0.00 H new ATOM 0 HB2 TRP A 81 35.035 -30.032 -26.661 1.00 0.00 H new ATOM 0 HB3 TRP A 81 35.454 -31.147 -25.376 1.00 0.00 H new ATOM 0 HD1 TRP A 81 37.207 -28.872 -28.077 1.00 0.00 H new ATOM 0 HE1 TRP A 81 39.652 -29.828 -28.497 1.00 0.00 H new ATOM 0 HE3 TRP A 81 37.028 -32.251 -24.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 40.741 -32.184 -27.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 38.517 -34.162 -24.682 1.00 0.00 H new ATOM 0 HH2 TRP A 81 40.247 -34.183 -26.378 1.00 0.00 H new ATOM 1281 N VAL A 82 33.275 -32.644 -27.950 1.00 0.00 N ATOM 1282 CA VAL A 82 32.147 -33.601 -27.964 1.00 0.00 C ATOM 1283 C VAL A 82 32.648 -35.005 -28.343 1.00 0.00 C ATOM 1284 O VAL A 82 32.267 -36.005 -27.734 1.00 0.00 O ATOM 1285 CB VAL A 82 30.970 -33.168 -28.871 1.00 0.00 C ATOM 1286 CG1 VAL A 82 29.992 -34.323 -29.126 1.00 0.00 C ATOM 1287 CG2 VAL A 82 30.191 -32.017 -28.234 1.00 0.00 C ATOM 0 H VAL A 82 33.189 -31.856 -28.592 1.00 0.00 H new ATOM 0 HA VAL A 82 31.744 -33.618 -26.951 1.00 0.00 H new ATOM 0 HB VAL A 82 31.407 -32.852 -29.818 1.00 0.00 H new ATOM 0 HG11 VAL A 82 29.180 -33.978 -29.767 1.00 0.00 H new ATOM 0 HG12 VAL A 82 30.517 -35.143 -29.616 1.00 0.00 H new ATOM 0 HG13 VAL A 82 29.583 -34.669 -28.177 1.00 0.00 H new ATOM 0 HG21 VAL A 82 29.368 -31.728 -28.888 1.00 0.00 H new ATOM 0 HG22 VAL A 82 29.794 -32.336 -27.270 1.00 0.00 H new ATOM 0 HG23 VAL A 82 30.855 -31.165 -28.089 1.00 0.00 H new