USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 506 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 63 THR OG1 : rot 180:sc= 0.497 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.533 X(o=1,f=1.2) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 40 GLN : amide:sc= 0.0158 K(o=0.016,f=-0.84) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= 1.26 (180deg=0.999) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 38 GLN : amide:sc= 0.698 K(o=0.7,f=-0.8) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0.584 K(o=0.58,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -92:sc= 1.21 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc= -0.0302 F(o=-0.56!,f=-0.03) USER MOD Single : A 72 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0121) USER MOD Single : A 77 LYS NZ :NH3+ 142:sc= 0.931 (180deg=-0.828) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 8.614 -3.902 10.586 1.00 0.00 N ATOM 153 CA TYR A 23 7.539 -3.809 9.619 1.00 0.00 C ATOM 154 C TYR A 23 6.701 -2.562 9.890 1.00 0.00 C ATOM 155 O TYR A 23 6.603 -2.080 11.019 1.00 0.00 O ATOM 156 CB TYR A 23 6.746 -5.087 9.747 1.00 0.00 C ATOM 157 CG TYR A 23 5.539 -5.207 8.857 1.00 0.00 C ATOM 158 CD1 TYR A 23 5.719 -5.499 7.491 1.00 0.00 C ATOM 159 CD2 TYR A 23 4.241 -4.879 9.249 1.00 0.00 C ATOM 160 CE1 TYR A 23 4.671 -5.478 6.571 1.00 0.00 C ATOM 161 CE2 TYR A 23 3.105 -4.922 8.437 1.00 0.00 C ATOM 162 CZ TYR A 23 3.373 -5.226 7.079 1.00 0.00 C ATOM 163 OH TYR A 23 2.333 -5.361 6.221 1.00 0.00 O ATOM 0 HA TYR A 23 7.904 -3.706 8.597 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.410 -5.926 9.539 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.420 -5.187 10.782 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.710 -5.750 7.141 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.102 -4.563 10.272 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.842 -5.646 5.518 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.109 -4.739 8.812 1.00 0.00 H new ATOM 0 HH TYR A 23 1.495 -5.162 6.689 1.00 0.00 H new ATOM 173 N TYR A 24 6.047 -2.037 8.862 1.00 0.00 N ATOM 174 CA TYR A 24 5.210 -0.864 8.999 1.00 0.00 C ATOM 175 C TYR A 24 3.838 -0.987 9.646 1.00 0.00 C ATOM 176 O TYR A 24 2.778 -0.788 9.066 1.00 0.00 O ATOM 177 CB TYR A 24 5.334 0.087 7.810 1.00 0.00 C ATOM 178 CG TYR A 24 5.037 -0.364 6.400 1.00 0.00 C ATOM 179 CD1 TYR A 24 4.179 -1.424 6.093 1.00 0.00 C ATOM 180 CD2 TYR A 24 5.861 0.156 5.372 1.00 0.00 C ATOM 181 CE1 TYR A 24 4.073 -1.886 4.786 1.00 0.00 C ATOM 182 CE2 TYR A 24 5.750 -0.277 4.056 1.00 0.00 C ATOM 183 CZ TYR A 24 4.813 -1.277 3.752 1.00 0.00 C ATOM 184 OH TYR A 24 4.762 -1.785 2.477 1.00 0.00 O ATOM 0 H TYR A 24 6.085 -2.415 7.915 1.00 0.00 H new ATOM 0 HA TYR A 24 5.668 -0.355 9.847 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.681 0.935 8.015 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.357 0.464 7.812 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.595 -1.887 6.875 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.595 0.909 5.617 1.00 0.00 H new ATOM 0 HE1 TYR A 24 3.420 -2.716 4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.373 0.148 3.282 1.00 0.00 H new ATOM 0 HH TYR A 24 5.330 -1.246 1.887 1.00 0.00 H new ATOM 194 N LYS A 25 3.837 -1.277 10.954 1.00 0.00 N ATOM 195 CA LYS A 25 2.654 -1.648 11.707 1.00 0.00 C ATOM 196 C LYS A 25 1.562 -0.582 11.711 1.00 0.00 C ATOM 197 O LYS A 25 0.401 -0.963 11.837 1.00 0.00 O ATOM 198 CB LYS A 25 3.132 -1.874 13.144 1.00 0.00 C ATOM 199 CG LYS A 25 4.103 -3.042 13.168 1.00 0.00 C ATOM 200 CD LYS A 25 4.363 -3.498 14.608 1.00 0.00 C ATOM 201 CE LYS A 25 5.158 -4.802 14.563 1.00 0.00 C ATOM 202 NZ LYS A 25 5.132 -5.590 15.792 1.00 0.00 N ATOM 0 H LYS A 25 4.684 -1.257 11.522 1.00 0.00 H new ATOM 0 HA LYS A 25 2.204 -2.528 11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.616 -0.975 13.525 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.282 -2.078 13.795 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.699 -3.870 12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.042 -2.751 12.698 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.917 -2.734 15.154 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.421 -3.646 15.135 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.772 -5.416 13.749 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.195 -4.568 14.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.698 -6.453 15.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.529 -5.029 16.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.151 -5.850 16.017 1.00 0.00 H new ATOM 216 N ILE A 26 1.916 0.684 11.472 1.00 0.00 N ATOM 217 CA ILE A 26 0.963 1.755 11.307 1.00 0.00 C ATOM 218 C ILE A 26 0.043 1.548 10.115 1.00 0.00 C ATOM 219 O ILE A 26 -1.055 2.085 10.213 1.00 0.00 O ATOM 220 CB ILE A 26 1.690 3.080 11.077 1.00 0.00 C ATOM 221 CG1 ILE A 26 2.484 3.163 9.778 1.00 0.00 C ATOM 222 CG2 ILE A 26 2.444 3.569 12.300 1.00 0.00 C ATOM 223 CD1 ILE A 26 2.894 4.611 9.498 1.00 0.00 C ATOM 0 H ILE A 26 2.887 0.985 11.389 1.00 0.00 H new ATOM 0 HA ILE A 26 0.371 1.768 12.222 1.00 0.00 H new ATOM 0 HB ILE A 26 0.890 3.804 10.923 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.371 2.533 9.845 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.884 2.781 8.952 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.937 4.513 12.070 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.745 3.716 13.124 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.192 2.829 12.586 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.460 4.655 8.568 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.002 5.231 9.410 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.512 4.979 10.317 1.00 0.00 H new ATOM 235 N ILE A 27 0.420 0.870 9.023 1.00 0.00 N ATOM 236 CA ILE A 27 -0.422 0.540 7.904 1.00 0.00 C ATOM 237 C ILE A 27 -1.490 -0.384 8.449 1.00 0.00 C ATOM 238 O ILE A 27 -2.656 -0.070 8.166 1.00 0.00 O ATOM 239 CB ILE A 27 0.298 0.138 6.614 1.00 0.00 C ATOM 240 CG1 ILE A 27 1.361 1.088 6.111 1.00 0.00 C ATOM 241 CG2 ILE A 27 -0.805 -0.060 5.580 1.00 0.00 C ATOM 242 CD1 ILE A 27 1.039 2.585 6.140 1.00 0.00 C ATOM 0 H ILE A 27 1.373 0.527 8.907 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.905 1.428 7.497 1.00 0.00 H new ATOM 0 HB ILE A 27 0.879 -0.763 6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.264 0.926 6.700 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.598 0.814 5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.363 -0.350 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.484 -0.842 5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.358 0.871 5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.888 3.147 5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.162 2.780 5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.838 2.894 7.166 1.00 0.00 H new ATOM 254 N LYS A 28 -1.056 -1.495 9.049 1.00 0.00 N ATOM 255 CA LYS A 28 -1.626 -2.812 9.295 1.00 0.00 C ATOM 256 C LYS A 28 -3.010 -2.669 9.936 1.00 0.00 C ATOM 257 O LYS A 28 -3.993 -3.155 9.391 1.00 0.00 O ATOM 258 CB LYS A 28 -0.660 -3.730 10.036 1.00 0.00 C ATOM 259 CG LYS A 28 -0.998 -5.214 9.909 1.00 0.00 C ATOM 260 CD LYS A 28 0.017 -6.069 10.681 1.00 0.00 C ATOM 261 CE LYS A 28 -0.276 -7.570 10.675 1.00 0.00 C ATOM 262 NZ LYS A 28 -1.413 -7.921 11.529 1.00 0.00 N ATOM 0 H LYS A 28 -0.116 -1.475 9.445 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.783 -3.323 8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.348 -3.563 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.653 -3.458 11.091 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.002 -5.398 10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.000 -5.503 8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.007 -5.904 10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.051 -5.723 11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.479 -7.894 9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.608 -8.111 11.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.334 -8.916 11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.415 -7.312 12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.299 -7.785 11.001 1.00 0.00 H new ATOM 276 N THR A 29 -2.973 -2.118 11.150 1.00 0.00 N ATOM 277 CA THR A 29 -4.118 -2.198 12.039 1.00 0.00 C ATOM 278 C THR A 29 -5.389 -1.621 11.451 1.00 0.00 C ATOM 279 O THR A 29 -6.445 -2.154 11.764 1.00 0.00 O ATOM 280 CB THR A 29 -3.840 -1.643 13.429 1.00 0.00 C ATOM 281 OG1 THR A 29 -3.496 -0.296 13.167 1.00 0.00 O ATOM 282 CG2 THR A 29 -2.695 -2.358 14.129 1.00 0.00 C ATOM 0 H THR A 29 -2.170 -1.618 11.531 1.00 0.00 H new ATOM 0 HA THR A 29 -4.294 -3.267 12.156 1.00 0.00 H new ATOM 0 HB THR A 29 -4.692 -1.766 14.097 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.296 0.161 14.011 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.542 -1.921 15.116 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.937 -3.416 14.235 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.785 -2.251 13.539 1.00 0.00 H new ATOM 290 N ALA A 30 -5.286 -0.598 10.598 1.00 0.00 N ATOM 291 CA ALA A 30 -6.384 -0.007 9.854 1.00 0.00 C ATOM 292 C ALA A 30 -6.757 -0.959 8.717 1.00 0.00 C ATOM 293 O ALA A 30 -7.876 -1.451 8.666 1.00 0.00 O ATOM 294 CB ALA A 30 -5.947 1.369 9.388 1.00 0.00 C ATOM 0 H ALA A 30 -4.393 -0.145 10.404 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.281 0.130 10.458 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.755 1.836 8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.703 1.986 10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.068 1.275 8.750 1.00 0.00 H new ATOM 300 N ARG A 31 -5.857 -1.317 7.795 1.00 0.00 N ATOM 301 CA ARG A 31 -6.103 -2.148 6.637 1.00 0.00 C ATOM 302 C ARG A 31 -6.797 -3.456 6.951 1.00 0.00 C ATOM 303 O ARG A 31 -7.587 -3.859 6.094 1.00 0.00 O ATOM 304 CB ARG A 31 -4.777 -2.268 5.893 1.00 0.00 C ATOM 305 CG ARG A 31 -4.920 -2.808 4.468 1.00 0.00 C ATOM 306 CD ARG A 31 -3.593 -3.047 3.771 1.00 0.00 C ATOM 307 NE ARG A 31 -3.661 -3.417 2.351 1.00 0.00 N ATOM 308 CZ ARG A 31 -2.651 -3.387 1.483 1.00 0.00 C ATOM 309 NH1 ARG A 31 -1.375 -3.243 1.850 1.00 0.00 N ATOM 310 NH2 ARG A 31 -2.888 -3.706 0.202 1.00 0.00 N ATOM 0 H ARG A 31 -4.885 -1.011 7.851 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.837 -1.683 5.979 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.301 -1.288 5.855 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.112 -2.923 6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.479 -3.744 4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.508 -2.104 3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.992 -2.142 3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.063 -3.836 4.305 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.566 -3.726 1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.136 -3.149 2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.640 -3.227 1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.829 -3.966 -0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.127 -3.689 -0.477 1.00 0.00 H new ATOM 324 N GLU A 32 -6.565 -4.179 8.054 1.00 0.00 N ATOM 325 CA GLU A 32 -7.293 -5.351 8.500 1.00 0.00 C ATOM 326 C GLU A 32 -8.707 -5.050 8.939 1.00 0.00 C ATOM 327 O GLU A 32 -9.532 -5.960 8.825 1.00 0.00 O ATOM 328 CB GLU A 32 -6.521 -6.097 9.581 1.00 0.00 C ATOM 329 CG GLU A 32 -5.213 -6.455 8.884 1.00 0.00 C ATOM 330 CD GLU A 32 -4.382 -7.547 9.531 1.00 0.00 C ATOM 331 OE1 GLU A 32 -4.047 -7.599 10.742 1.00 0.00 O ATOM 332 OE2 GLU A 32 -3.896 -8.427 8.778 1.00 0.00 O ATOM 0 H GLU A 32 -5.810 -3.935 8.695 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.385 -6.001 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.353 -5.474 10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.055 -6.985 9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.442 -6.759 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.603 -5.554 8.819 1.00 0.00 H new ATOM 339 N GLN A 33 -8.969 -3.968 9.681 1.00 0.00 N ATOM 340 CA GLN A 33 -10.335 -3.684 10.085 1.00 0.00 C ATOM 341 C GLN A 33 -11.312 -3.627 8.909 1.00 0.00 C ATOM 342 O GLN A 33 -12.445 -4.082 8.942 1.00 0.00 O ATOM 343 CB GLN A 33 -10.444 -2.339 10.796 1.00 0.00 C ATOM 344 CG GLN A 33 -11.747 -2.153 11.570 1.00 0.00 C ATOM 345 CD GLN A 33 -11.954 -3.232 12.630 1.00 0.00 C ATOM 346 OE1 GLN A 33 -12.991 -3.919 12.559 1.00 0.00 O ATOM 347 NE2 GLN A 33 -10.995 -3.370 13.538 1.00 0.00 N ATOM 0 H GLN A 33 -8.271 -3.297 10.002 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.598 -4.509 10.747 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.606 -2.234 11.485 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.353 -1.541 10.059 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.746 -1.173 12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.585 -2.166 10.873 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.179 -2.758 13.515 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.074 -4.088 14.258 1.00 0.00 H new ATOM 356 N LEU A 34 -10.753 -3.056 7.844 1.00 0.00 N ATOM 357 CA LEU A 34 -11.528 -2.524 6.744 1.00 0.00 C ATOM 358 C LEU A 34 -11.776 -3.560 5.655 1.00 0.00 C ATOM 359 O LEU A 34 -12.642 -3.256 4.835 1.00 0.00 O ATOM 360 CB LEU A 34 -10.694 -1.466 6.001 1.00 0.00 C ATOM 361 CG LEU A 34 -10.607 -0.184 6.811 1.00 0.00 C ATOM 362 CD1 LEU A 34 -9.681 0.839 6.172 1.00 0.00 C ATOM 363 CD2 LEU A 34 -11.958 0.441 7.152 1.00 0.00 C ATOM 0 H LEU A 34 -9.745 -2.953 7.727 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.455 -2.159 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.692 -1.852 5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.143 -1.258 5.030 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.173 -0.494 7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.652 1.738 6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.677 0.421 6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.049 1.092 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.802 1.351 7.731 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.490 0.683 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.548 -0.264 7.737 1.00 0.00 H new ATOM 375 N GLY A 35 -11.107 -4.707 5.696 1.00 0.00 N ATOM 376 CA GLY A 35 -11.255 -5.806 4.761 1.00 0.00 C ATOM 377 C GLY A 35 -10.936 -5.556 3.302 1.00 0.00 C ATOM 378 O GLY A 35 -10.983 -6.406 2.403 1.00 0.00 O ATOM 0 H GLY A 35 -10.414 -4.901 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.620 -6.623 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.285 -6.157 4.821 1.00 0.00 H new ATOM 382 N ILE A 36 -10.445 -4.342 3.039 1.00 0.00 N ATOM 383 CA ILE A 36 -10.216 -3.820 1.705 1.00 0.00 C ATOM 384 C ILE A 36 -9.073 -4.536 0.996 1.00 0.00 C ATOM 385 O ILE A 36 -8.202 -5.118 1.636 1.00 0.00 O ATOM 386 CB ILE A 36 -9.850 -2.342 1.786 1.00 0.00 C ATOM 387 CG1 ILE A 36 -8.663 -1.956 2.675 1.00 0.00 C ATOM 388 CG2 ILE A 36 -11.063 -1.462 2.037 1.00 0.00 C ATOM 389 CD1 ILE A 36 -8.304 -0.475 2.495 1.00 0.00 C ATOM 0 H ILE A 36 -10.191 -3.683 3.775 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.137 -3.975 1.143 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.468 -2.142 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.907 -2.151 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.801 -2.576 2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.752 -0.419 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.779 -1.589 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.530 -1.746 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.459 -0.225 3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.038 -0.289 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.160 0.143 2.766 1.00 0.00 H new ATOM 401 N SER A 37 -9.073 -4.587 -0.336 1.00 0.00 N ATOM 402 CA SER A 37 -8.234 -5.554 -1.006 1.00 0.00 C ATOM 403 C SER A 37 -7.331 -5.043 -2.131 1.00 0.00 C ATOM 404 O SER A 37 -7.456 -3.906 -2.580 1.00 0.00 O ATOM 405 CB SER A 37 -9.155 -6.550 -1.698 1.00 0.00 C ATOM 406 OG SER A 37 -10.224 -5.990 -2.450 1.00 0.00 O ATOM 0 H SER A 37 -9.628 -3.988 -0.947 1.00 0.00 H new ATOM 0 HA SER A 37 -7.586 -5.934 -0.216 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.554 -7.169 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.577 -7.212 -0.941 1.00 0.00 H new ATOM 0 HG SER A 37 -10.752 -6.710 -2.854 1.00 0.00 H new ATOM 412 N GLN A 38 -6.364 -5.878 -2.536 1.00 0.00 N ATOM 413 CA GLN A 38 -5.360 -5.556 -3.529 1.00 0.00 C ATOM 414 C GLN A 38 -5.961 -5.215 -4.890 1.00 0.00 C ATOM 415 O GLN A 38 -5.473 -4.270 -5.490 1.00 0.00 O ATOM 416 CB GLN A 38 -4.292 -6.626 -3.622 1.00 0.00 C ATOM 417 CG GLN A 38 -3.043 -6.305 -2.811 1.00 0.00 C ATOM 418 CD GLN A 38 -1.961 -7.384 -2.811 1.00 0.00 C ATOM 419 OE1 GLN A 38 -2.300 -8.553 -2.952 1.00 0.00 O ATOM 420 NE2 GLN A 38 -0.709 -7.045 -2.515 1.00 0.00 N ATOM 0 H GLN A 38 -6.266 -6.822 -2.163 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.868 -4.647 -3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.706 -7.574 -3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.013 -6.761 -4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.610 -5.381 -3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.340 -6.114 -1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.459 -6.062 -2.404 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.001 -7.768 -2.399 1.00 0.00 H new ATOM 429 N GLN A 39 -7.033 -5.871 -5.337 1.00 0.00 N ATOM 430 CA GLN A 39 -7.825 -5.418 -6.473 1.00 0.00 C ATOM 431 C GLN A 39 -8.282 -3.977 -6.354 1.00 0.00 C ATOM 432 O GLN A 39 -8.330 -3.353 -7.409 1.00 0.00 O ATOM 433 CB GLN A 39 -8.904 -6.467 -6.751 1.00 0.00 C ATOM 434 CG GLN A 39 -9.443 -6.265 -8.168 1.00 0.00 C ATOM 435 CD GLN A 39 -10.533 -7.227 -8.595 1.00 0.00 C ATOM 436 OE1 GLN A 39 -10.270 -8.256 -9.217 1.00 0.00 O ATOM 437 NE2 GLN A 39 -11.844 -6.998 -8.444 1.00 0.00 N ATOM 0 H GLN A 39 -7.375 -6.735 -4.917 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.210 -5.357 -7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.490 -7.470 -6.645 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.712 -6.377 -6.025 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.827 -5.248 -8.250 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.613 -6.350 -8.869 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.162 -6.169 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.524 -7.652 -8.831 1.00 0.00 H new ATOM 446 N GLN A 40 -8.606 -3.421 -5.173 1.00 0.00 N ATOM 447 CA GLN A 40 -9.062 -2.060 -5.026 1.00 0.00 C ATOM 448 C GLN A 40 -7.906 -1.067 -5.111 1.00 0.00 C ATOM 449 O GLN A 40 -8.147 0.014 -5.655 1.00 0.00 O ATOM 450 CB GLN A 40 -9.721 -1.851 -3.664 1.00 0.00 C ATOM 451 CG GLN A 40 -11.115 -2.464 -3.663 1.00 0.00 C ATOM 452 CD GLN A 40 -11.763 -2.227 -2.304 1.00 0.00 C ATOM 453 OE1 GLN A 40 -11.709 -3.012 -1.368 1.00 0.00 O ATOM 454 NE2 GLN A 40 -12.407 -1.099 -2.021 1.00 0.00 N ATOM 0 H GLN A 40 -8.552 -3.928 -4.289 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.771 -1.888 -5.836 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.113 -2.307 -2.882 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.782 -0.786 -3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.722 -2.019 -4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.056 -3.532 -3.870 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.508 -0.377 -2.734 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.800 -0.956 -1.091 1.00 0.00 H new ATOM 463 N LEU A 41 -6.747 -1.427 -4.548 1.00 0.00 N ATOM 464 CA LEU A 41 -5.591 -0.548 -4.480 1.00 0.00 C ATOM 465 C LEU A 41 -4.972 -0.457 -5.858 1.00 0.00 C ATOM 466 O LEU A 41 -4.432 0.623 -6.126 1.00 0.00 O ATOM 467 CB LEU A 41 -4.695 -1.163 -3.424 1.00 0.00 C ATOM 468 CG LEU A 41 -3.313 -0.527 -3.267 1.00 0.00 C ATOM 469 CD1 LEU A 41 -3.271 0.911 -2.769 1.00 0.00 C ATOM 470 CD2 LEU A 41 -2.487 -1.317 -2.246 1.00 0.00 C ATOM 0 H LEU A 41 -6.591 -2.343 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.813 0.481 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.209 -1.111 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.563 -2.219 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.927 -0.542 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.235 1.243 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.813 1.553 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.735 0.969 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.504 -0.858 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.997 -1.310 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.372 -2.345 -2.589 1.00 0.00 H new ATOM 482 N ALA A 42 -5.024 -1.492 -6.691 1.00 0.00 N ATOM 483 CA ALA A 42 -4.695 -1.361 -8.109 1.00 0.00 C ATOM 484 C ALA A 42 -5.479 -0.307 -8.879 1.00 0.00 C ATOM 485 O ALA A 42 -4.856 0.415 -9.651 1.00 0.00 O ATOM 486 CB ALA A 42 -4.850 -2.757 -8.686 1.00 0.00 C ATOM 0 H ALA A 42 -5.292 -2.435 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.679 -0.979 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.619 -2.738 -9.751 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.167 -3.438 -8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.875 -3.098 -8.543 1.00 0.00 H new ATOM 492 N GLN A 43 -6.810 -0.269 -8.721 1.00 0.00 N ATOM 493 CA GLN A 43 -7.661 0.734 -9.301 1.00 0.00 C ATOM 494 C GLN A 43 -7.322 2.144 -8.827 1.00 0.00 C ATOM 495 O GLN A 43 -7.354 3.124 -9.572 1.00 0.00 O ATOM 496 CB GLN A 43 -9.162 0.433 -9.201 1.00 0.00 C ATOM 497 CG GLN A 43 -9.582 -0.887 -9.838 1.00 0.00 C ATOM 498 CD GLN A 43 -10.959 -1.325 -9.346 1.00 0.00 C ATOM 499 OE1 GLN A 43 -12.023 -0.881 -9.777 1.00 0.00 O ATOM 500 NE2 GLN A 43 -10.945 -2.304 -8.433 1.00 0.00 N ATOM 0 H GLN A 43 -7.319 -0.960 -8.170 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.436 0.693 -10.367 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.449 0.423 -8.150 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.715 1.244 -9.675 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.597 -0.781 -10.923 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.847 -1.657 -9.603 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.056 -2.663 -8.084 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.823 -2.691 -8.086 1.00 0.00 H new ATOM 509 N LYS A 44 -7.051 2.344 -7.538 1.00 0.00 N ATOM 510 CA LYS A 44 -6.843 3.619 -6.888 1.00 0.00 C ATOM 511 C LYS A 44 -5.504 4.148 -7.391 1.00 0.00 C ATOM 512 O LYS A 44 -5.346 5.367 -7.396 1.00 0.00 O ATOM 513 CB LYS A 44 -7.009 3.418 -5.386 1.00 0.00 C ATOM 514 CG LYS A 44 -8.518 3.213 -5.306 1.00 0.00 C ATOM 515 CD LYS A 44 -8.815 2.910 -3.845 1.00 0.00 C ATOM 516 CE LYS A 44 -8.666 4.142 -2.957 1.00 0.00 C ATOM 517 NZ LYS A 44 -8.787 3.758 -1.550 1.00 0.00 N ATOM 0 H LYS A 44 -6.967 1.564 -6.886 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.570 4.395 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.452 2.556 -5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.676 4.282 -4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.052 4.103 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.836 2.392 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.829 2.521 -3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.142 2.128 -3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.699 4.613 -3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.430 4.878 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.685 4.601 -0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.720 3.328 -1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.043 3.072 -1.312 1.00 0.00 H new ATOM 531 N LEU A 45 -4.682 3.282 -7.971 1.00 0.00 N ATOM 532 CA LEU A 45 -3.298 3.604 -8.299 1.00 0.00 C ATOM 533 C LEU A 45 -3.257 3.664 -9.811 1.00 0.00 C ATOM 534 O LEU A 45 -2.275 4.021 -10.449 1.00 0.00 O ATOM 535 CB LEU A 45 -2.358 2.522 -7.758 1.00 0.00 C ATOM 536 CG LEU A 45 -0.851 2.737 -7.877 1.00 0.00 C ATOM 537 CD1 LEU A 45 -0.397 4.084 -7.336 1.00 0.00 C ATOM 538 CD2 LEU A 45 -0.189 1.637 -7.067 1.00 0.00 C ATOM 0 H LEU A 45 -4.957 2.334 -8.228 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.971 4.544 -7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.590 2.380 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.600 1.589 -8.266 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.576 2.715 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.683 4.176 -7.449 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.889 4.883 -7.890 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.659 4.159 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.894 1.747 -7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.510 1.707 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.475 0.666 -7.470 1.00 0.00 H new ATOM 550 N LYS A 46 -4.411 3.533 -10.481 1.00 0.00 N ATOM 551 CA LYS A 46 -4.691 3.503 -11.906 1.00 0.00 C ATOM 552 C LYS A 46 -3.704 2.593 -12.613 1.00 0.00 C ATOM 553 O LYS A 46 -3.057 3.062 -13.557 1.00 0.00 O ATOM 554 CB LYS A 46 -4.766 4.922 -12.451 1.00 0.00 C ATOM 555 CG LYS A 46 -5.589 4.919 -13.732 1.00 0.00 C ATOM 556 CD LYS A 46 -5.789 6.315 -14.335 1.00 0.00 C ATOM 557 CE LYS A 46 -6.613 6.334 -15.620 1.00 0.00 C ATOM 558 NZ LYS A 46 -7.973 5.772 -15.521 1.00 0.00 N ATOM 0 H LYS A 46 -5.279 3.433 -9.955 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.671 3.067 -12.100 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.219 5.585 -11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.764 5.303 -12.648 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.099 4.281 -14.468 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.564 4.478 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.276 6.951 -13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.812 6.753 -14.538 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.691 7.366 -15.964 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.068 5.783 -16.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.443 5.835 -16.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.916 4.776 -15.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.520 6.309 -14.818 1.00 0.00 H new ATOM 572 N VAL A 47 -3.548 1.345 -12.160 1.00 0.00 N ATOM 573 CA VAL A 47 -2.675 0.283 -12.629 1.00 0.00 C ATOM 574 C VAL A 47 -3.255 -1.108 -12.586 1.00 0.00 C ATOM 575 O VAL A 47 -4.379 -1.281 -12.122 1.00 0.00 O ATOM 576 CB VAL A 47 -1.319 0.294 -11.935 1.00 0.00 C ATOM 577 CG1 VAL A 47 -0.532 1.553 -12.302 1.00 0.00 C ATOM 578 CG2 VAL A 47 -1.438 0.037 -10.430 1.00 0.00 C ATOM 0 H VAL A 47 -4.099 1.026 -11.363 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.550 0.524 -13.685 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.732 -0.546 -12.307 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.433 1.540 -11.795 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.375 1.583 -13.380 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.092 2.435 -11.993 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.446 0.054 -9.978 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.057 0.811 -9.976 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.896 -0.938 -10.262 1.00 0.00 H new ATOM 588 N SER A 48 -2.468 -2.126 -12.937 1.00 0.00 N ATOM 589 CA SER A 48 -2.774 -3.538 -12.720 1.00 0.00 C ATOM 590 C SER A 48 -2.172 -4.074 -11.428 1.00 0.00 C ATOM 591 O SER A 48 -1.221 -3.511 -10.901 1.00 0.00 O ATOM 592 CB SER A 48 -2.228 -4.268 -13.951 1.00 0.00 C ATOM 593 OG SER A 48 -0.822 -4.213 -13.971 1.00 0.00 O ATOM 0 H SER A 48 -1.569 -1.983 -13.396 1.00 0.00 H new ATOM 0 HA SER A 48 -3.847 -3.692 -12.604 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.557 -5.307 -13.941 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.629 -3.815 -14.858 1.00 0.00 H new ATOM 0 HG SER A 48 -0.487 -4.685 -14.762 1.00 0.00 H new ATOM 599 N GLU A 49 -2.613 -5.202 -10.849 1.00 0.00 N ATOM 600 CA GLU A 49 -2.175 -5.708 -9.571 1.00 0.00 C ATOM 601 C GLU A 49 -0.772 -6.275 -9.680 1.00 0.00 C ATOM 602 O GLU A 49 -0.066 -6.551 -8.704 1.00 0.00 O ATOM 603 CB GLU A 49 -3.090 -6.867 -9.187 1.00 0.00 C ATOM 604 CG GLU A 49 -4.515 -6.411 -8.850 1.00 0.00 C ATOM 605 CD GLU A 49 -5.405 -7.621 -9.119 1.00 0.00 C ATOM 606 OE1 GLU A 49 -5.382 -8.647 -8.402 1.00 0.00 O ATOM 607 OE2 GLU A 49 -6.189 -7.671 -10.090 1.00 0.00 O ATOM 0 H GLU A 49 -3.313 -5.799 -11.290 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.197 -4.899 -8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.127 -7.583 -10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.667 -7.389 -8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.589 -6.093 -7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.811 -5.562 -9.466 1.00 0.00 H new ATOM 614 N ASN A 50 -0.290 -6.468 -10.895 1.00 0.00 N ATOM 615 CA ASN A 50 1.115 -6.805 -11.094 1.00 0.00 C ATOM 616 C ASN A 50 2.036 -5.705 -10.607 1.00 0.00 C ATOM 617 O ASN A 50 3.099 -6.015 -10.066 1.00 0.00 O ATOM 618 CB ASN A 50 1.360 -7.147 -12.554 1.00 0.00 C ATOM 619 CG ASN A 50 2.781 -7.633 -12.859 1.00 0.00 C ATOM 620 OD1 ASN A 50 3.612 -6.789 -13.139 1.00 0.00 O ATOM 621 ND2 ASN A 50 3.165 -8.885 -12.603 1.00 0.00 N ATOM 0 H ASN A 50 -0.840 -6.399 -11.751 1.00 0.00 H new ATOM 0 HA ASN A 50 1.348 -7.683 -10.491 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.652 -7.918 -12.858 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.152 -6.266 -13.161 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.154 -9.133 -12.642 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.470 -9.594 -12.368 1.00 0.00 H new ATOM 628 N ILE A 51 1.685 -4.436 -10.779 1.00 0.00 N ATOM 629 CA ILE A 51 2.450 -3.281 -10.367 1.00 0.00 C ATOM 630 C ILE A 51 2.492 -3.173 -8.855 1.00 0.00 C ATOM 631 O ILE A 51 3.513 -2.742 -8.302 1.00 0.00 O ATOM 632 CB ILE A 51 1.815 -2.036 -10.990 1.00 0.00 C ATOM 633 CG1 ILE A 51 1.851 -2.018 -12.506 1.00 0.00 C ATOM 634 CG2 ILE A 51 2.436 -0.763 -10.427 1.00 0.00 C ATOM 635 CD1 ILE A 51 3.259 -2.193 -13.074 1.00 0.00 C ATOM 0 H ILE A 51 0.810 -4.179 -11.235 1.00 0.00 H new ATOM 0 HA ILE A 51 3.480 -3.377 -10.710 1.00 0.00 H new ATOM 0 HB ILE A 51 0.762 -2.078 -10.712 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.210 -2.813 -12.888 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.436 -1.075 -12.862 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.966 0.106 -10.888 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.283 -0.730 -9.348 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.505 -0.754 -10.642 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.217 -2.171 -14.163 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.898 -1.384 -12.719 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.668 -3.149 -12.746 1.00 0.00 H new ATOM 647 N VAL A 52 1.520 -3.630 -8.070 1.00 0.00 N ATOM 648 CA VAL A 52 1.426 -3.498 -6.635 1.00 0.00 C ATOM 649 C VAL A 52 2.502 -4.260 -5.871 1.00 0.00 C ATOM 650 O VAL A 52 2.946 -3.772 -4.837 1.00 0.00 O ATOM 651 CB VAL A 52 0.054 -3.621 -5.988 1.00 0.00 C ATOM 652 CG1 VAL A 52 -0.882 -2.774 -6.856 1.00 0.00 C ATOM 653 CG2 VAL A 52 -0.507 -5.038 -5.843 1.00 0.00 C ATOM 0 H VAL A 52 0.724 -4.138 -8.457 1.00 0.00 H new ATOM 0 HA VAL A 52 1.632 -2.433 -6.529 1.00 0.00 H new ATOM 0 HB VAL A 52 0.141 -3.285 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.892 -2.815 -6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.536 -1.741 -6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.885 -3.163 -7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.488 -4.994 -5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.600 -5.495 -6.828 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.167 -5.635 -5.228 1.00 0.00 H new ATOM 663 N LYS A 53 2.922 -5.429 -6.338 1.00 0.00 N ATOM 664 CA LYS A 53 3.777 -6.384 -5.667 1.00 0.00 C ATOM 665 C LYS A 53 5.069 -5.856 -5.063 1.00 0.00 C ATOM 666 O LYS A 53 5.429 -6.175 -3.933 1.00 0.00 O ATOM 667 CB LYS A 53 4.186 -7.397 -6.735 1.00 0.00 C ATOM 668 CG LYS A 53 3.015 -8.253 -7.202 1.00 0.00 C ATOM 669 CD LYS A 53 3.292 -9.575 -7.918 1.00 0.00 C ATOM 670 CE LYS A 53 4.171 -9.488 -9.144 1.00 0.00 C ATOM 671 NZ LYS A 53 4.509 -10.795 -9.718 1.00 0.00 N ATOM 0 H LYS A 53 2.650 -5.753 -7.266 1.00 0.00 H new ATOM 0 HA LYS A 53 3.198 -6.763 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.610 -6.869 -7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.969 -8.043 -6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.403 -8.476 -6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.407 -7.641 -7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.757 -10.260 -7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.338 -10.016 -8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.666 -8.888 -9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.092 -8.965 -8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.113 -10.661 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.018 -11.364 -9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.637 -11.288 -9.996 1.00 0.00 H new ATOM 685 N ARG A 54 5.653 -4.916 -5.823 1.00 0.00 N ATOM 686 CA ARG A 54 6.770 -4.077 -5.487 1.00 0.00 C ATOM 687 C ARG A 54 6.954 -3.827 -3.994 1.00 0.00 C ATOM 688 O ARG A 54 7.607 -4.627 -3.332 1.00 0.00 O ATOM 689 CB ARG A 54 6.796 -2.858 -6.418 1.00 0.00 C ATOM 690 CG ARG A 54 7.065 -3.109 -7.888 1.00 0.00 C ATOM 691 CD ARG A 54 6.973 -1.784 -8.645 1.00 0.00 C ATOM 692 NE ARG A 54 7.038 -1.918 -10.104 1.00 0.00 N ATOM 693 CZ ARG A 54 6.822 -0.906 -10.944 1.00 0.00 C ATOM 694 NH1 ARG A 54 6.718 0.367 -10.558 1.00 0.00 N ATOM 695 NH2 ARG A 54 6.570 -1.152 -12.236 1.00 0.00 N ATOM 0 H ARG A 54 5.312 -4.722 -6.765 1.00 0.00 H new ATOM 0 HA ARG A 54 7.695 -4.618 -5.687 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.836 -2.349 -6.333 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.556 -2.169 -6.049 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.053 -3.550 -8.020 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.342 -3.821 -8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.038 -1.290 -8.378 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.783 -1.133 -8.315 1.00 0.00 H new ATOM 0 HE ARG A 54 7.260 -2.833 -10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.804 0.609 -9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.552 1.098 -11.250 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.543 -2.113 -12.576 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.405 -0.378 -12.880 1.00 0.00 H new ATOM 709 N PHE A 55 6.310 -2.820 -3.396 1.00 0.00 N ATOM 710 CA PHE A 55 6.396 -2.508 -1.981 1.00 0.00 C ATOM 711 C PHE A 55 5.538 -3.450 -1.142 1.00 0.00 C ATOM 712 O PHE A 55 5.748 -3.514 0.064 1.00 0.00 O ATOM 713 CB PHE A 55 5.821 -1.123 -1.709 1.00 0.00 C ATOM 714 CG PHE A 55 4.342 -0.908 -1.963 1.00 0.00 C ATOM 715 CD1 PHE A 55 3.823 -0.861 -3.266 1.00 0.00 C ATOM 716 CD2 PHE A 55 3.527 -0.859 -0.833 1.00 0.00 C ATOM 717 CE1 PHE A 55 2.467 -0.717 -3.546 1.00 0.00 C ATOM 718 CE2 PHE A 55 2.185 -0.577 -1.142 1.00 0.00 C ATOM 719 CZ PHE A 55 1.654 -0.487 -2.430 1.00 0.00 C ATOM 0 H PHE A 55 5.697 -2.184 -3.907 1.00 0.00 H new ATOM 0 HA PHE A 55 7.451 -2.589 -1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.021 -0.877 -0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.373 -0.406 -2.317 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.511 -0.941 -4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.888 -1.020 0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.072 -0.778 -4.549 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.509 -0.417 -0.315 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.612 -0.239 -2.566 1.00 0.00 H new ATOM 729 N GLU A 56 4.495 -4.051 -1.676 1.00 0.00 N ATOM 730 CA GLU A 56 3.599 -4.922 -0.936 1.00 0.00 C ATOM 731 C GLU A 56 4.263 -6.170 -0.394 1.00 0.00 C ATOM 732 O GLU A 56 3.777 -6.836 0.520 1.00 0.00 O ATOM 733 CB GLU A 56 2.402 -5.325 -1.787 1.00 0.00 C ATOM 734 CG GLU A 56 1.523 -4.113 -2.105 1.00 0.00 C ATOM 735 CD GLU A 56 0.386 -3.990 -1.100 1.00 0.00 C ATOM 736 OE1 GLU A 56 0.676 -3.476 0.008 1.00 0.00 O ATOM 737 OE2 GLU A 56 -0.729 -4.532 -1.248 1.00 0.00 O ATOM 0 H GLU A 56 4.239 -3.947 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 56 3.274 -4.332 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.748 -5.782 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.814 -6.077 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.127 -3.206 -2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.116 -4.208 -3.112 1.00 0.00 H new ATOM 744 N SER A 57 5.479 -6.450 -0.877 1.00 0.00 N ATOM 745 CA SER A 57 6.278 -7.500 -0.262 1.00 0.00 C ATOM 746 C SER A 57 6.738 -7.293 1.160 1.00 0.00 C ATOM 747 O SER A 57 7.065 -8.299 1.789 1.00 0.00 O ATOM 748 CB SER A 57 7.500 -7.528 -1.170 1.00 0.00 C ATOM 749 OG SER A 57 8.173 -6.284 -1.223 1.00 0.00 O ATOM 0 H SER A 57 5.916 -5.977 -1.668 1.00 0.00 H new ATOM 0 HA SER A 57 5.676 -8.405 -0.180 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.191 -8.295 -0.819 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.193 -7.813 -2.176 1.00 0.00 H new ATOM 0 HG SER A 57 7.828 -5.757 -1.974 1.00 0.00 H new ATOM 755 N GLY A 58 6.750 -6.033 1.612 1.00 0.00 N ATOM 756 CA GLY A 58 7.039 -5.553 2.937 1.00 0.00 C ATOM 757 C GLY A 58 8.500 -5.694 3.354 1.00 0.00 C ATOM 758 O GLY A 58 8.792 -5.638 4.544 1.00 0.00 O ATOM 0 H GLY A 58 6.534 -5.260 0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.756 -4.502 2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.417 -6.094 3.650 1.00 0.00 H new ATOM 762 N LYS A 59 9.322 -5.844 2.297 1.00 0.00 N ATOM 763 CA LYS A 59 10.739 -6.119 2.341 1.00 0.00 C ATOM 764 C LYS A 59 11.655 -4.907 2.310 1.00 0.00 C ATOM 765 O LYS A 59 12.858 -5.026 2.043 1.00 0.00 O ATOM 766 CB LYS A 59 11.073 -6.965 1.112 1.00 0.00 C ATOM 767 CG LYS A 59 10.454 -8.354 1.026 1.00 0.00 C ATOM 768 CD LYS A 59 10.933 -9.152 2.233 1.00 0.00 C ATOM 769 CE LYS A 59 12.403 -9.576 2.191 1.00 0.00 C ATOM 770 NZ LYS A 59 12.773 -10.230 3.454 1.00 0.00 N ATOM 0 H LYS A 59 8.976 -5.769 1.340 1.00 0.00 H new ATOM 0 HA LYS A 59 10.918 -6.606 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.770 -6.406 0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.156 -7.076 1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.366 -8.288 1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.749 -8.847 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.769 -8.556 3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.316 -10.046 2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.570 -10.257 1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.037 -8.705 2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.773 -10.515 3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.630 -9.567 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.178 -11.071 3.597 1.00 0.00 H new ATOM 784 N LEU A 60 11.038 -3.738 2.505 1.00 0.00 N ATOM 785 CA LEU A 60 11.706 -2.465 2.692 1.00 0.00 C ATOM 786 C LEU A 60 11.015 -1.492 3.650 1.00 0.00 C ATOM 787 O LEU A 60 9.937 -0.969 3.388 1.00 0.00 O ATOM 788 CB LEU A 60 11.835 -1.826 1.307 1.00 0.00 C ATOM 789 CG LEU A 60 13.055 -2.213 0.502 1.00 0.00 C ATOM 790 CD1 LEU A 60 13.017 -1.378 -0.772 1.00 0.00 C ATOM 791 CD2 LEU A 60 14.418 -2.111 1.198 1.00 0.00 C ATOM 0 H LEU A 60 10.022 -3.659 2.537 1.00 0.00 H new ATOM 0 HA LEU A 60 12.667 -2.668 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.948 -2.082 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.835 -0.743 1.429 1.00 0.00 H new ATOM 0 HG LEU A 60 12.985 -3.285 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.880 -1.620 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.102 -1.596 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.041 -0.319 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 60 15.203 -2.418 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 60 14.591 -1.081 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 60 14.430 -2.762 2.073 1.00 0.00 H new ATOM 803 N LYS A 61 11.695 -1.080 4.719 1.00 0.00 N ATOM 804 CA LYS A 61 11.358 0.100 5.503 1.00 0.00 C ATOM 805 C LYS A 61 11.499 1.404 4.733 1.00 0.00 C ATOM 806 O LYS A 61 12.588 1.652 4.211 1.00 0.00 O ATOM 807 CB LYS A 61 12.364 0.035 6.650 1.00 0.00 C ATOM 808 CG LYS A 61 11.814 0.857 7.813 1.00 0.00 C ATOM 809 CD LYS A 61 12.830 0.934 8.961 1.00 0.00 C ATOM 810 CE LYS A 61 12.500 1.896 10.097 1.00 0.00 C ATOM 811 NZ LYS A 61 11.712 1.199 11.139 1.00 0.00 N ATOM 0 H LYS A 61 12.516 -1.573 5.070 1.00 0.00 H new ATOM 0 HA LYS A 61 10.314 0.095 5.815 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.524 -0.998 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.330 0.426 6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.571 1.863 7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.887 0.410 8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.945 -0.065 9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.796 1.218 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.420 2.291 10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.937 2.747 9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.492 1.862 11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.827 0.843 10.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.263 0.402 11.516 1.00 0.00 H new ATOM 825 N PRO A 62 10.455 2.195 4.477 1.00 0.00 N ATOM 826 CA PRO A 62 10.421 3.421 3.708 1.00 0.00 C ATOM 827 C PRO A 62 11.198 4.569 4.333 1.00 0.00 C ATOM 828 O PRO A 62 11.563 4.618 5.507 1.00 0.00 O ATOM 829 CB PRO A 62 8.947 3.711 3.489 1.00 0.00 C ATOM 830 CG PRO A 62 8.354 3.270 4.831 1.00 0.00 C ATOM 831 CD PRO A 62 9.138 1.973 5.036 1.00 0.00 C ATOM 0 HA PRO A 62 10.941 3.303 2.757 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.761 4.765 3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.536 3.146 2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.529 3.996 5.625 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.278 3.106 4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.203 1.723 6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.642 1.138 4.541 1.00 0.00 H new ATOM 839 N THR A 63 11.521 5.543 3.488 1.00 0.00 N ATOM 840 CA THR A 63 12.114 6.827 3.813 1.00 0.00 C ATOM 841 C THR A 63 11.176 8.010 3.658 1.00 0.00 C ATOM 842 O THR A 63 9.956 7.821 3.556 1.00 0.00 O ATOM 843 CB THR A 63 13.343 7.088 2.943 1.00 0.00 C ATOM 844 OG1 THR A 63 13.046 7.035 1.567 1.00 0.00 O ATOM 845 CG2 THR A 63 14.445 6.080 3.233 1.00 0.00 C ATOM 0 H THR A 63 11.362 5.444 2.485 1.00 0.00 H new ATOM 0 HA THR A 63 12.376 6.750 4.868 1.00 0.00 H new ATOM 0 HB THR A 63 13.679 8.094 3.194 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.860 7.209 1.050 1.00 0.00 H new ATOM 0 HG21 THR A 63 15.307 6.290 2.599 1.00 0.00 H new ATOM 0 HG22 THR A 63 14.738 6.153 4.280 1.00 0.00 H new ATOM 0 HG23 THR A 63 14.081 5.073 3.027 1.00 0.00 H new ATOM 853 N ILE A 64 11.635 9.263 3.647 1.00 0.00 N ATOM 854 CA ILE A 64 10.838 10.483 3.679 1.00 0.00 C ATOM 855 C ILE A 64 9.840 10.604 2.537 1.00 0.00 C ATOM 856 O ILE A 64 8.634 10.501 2.732 1.00 0.00 O ATOM 857 CB ILE A 64 11.801 11.667 3.808 1.00 0.00 C ATOM 858 CG1 ILE A 64 12.470 11.675 5.167 1.00 0.00 C ATOM 859 CG2 ILE A 64 11.189 13.060 3.652 1.00 0.00 C ATOM 860 CD1 ILE A 64 13.411 12.738 5.720 1.00 0.00 C ATOM 0 H ILE A 64 12.635 9.461 3.613 1.00 0.00 H new ATOM 0 HA ILE A 64 10.181 10.463 4.549 1.00 0.00 H new ATOM 0 HB ILE A 64 12.487 11.500 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 64 11.657 11.604 5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.027 10.740 5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 64 11.968 13.814 3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.736 13.150 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 64 10.427 13.210 4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.725 12.458 6.725 1.00 0.00 H new ATOM 0 HD12 ILE A 64 14.286 12.820 5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 64 12.895 13.698 5.755 1.00 0.00 H new ATOM 872 N SER A 65 10.361 10.593 1.310 1.00 0.00 N ATOM 873 CA SER A 65 9.567 10.472 0.100 1.00 0.00 C ATOM 874 C SER A 65 8.730 9.206 -0.016 1.00 0.00 C ATOM 875 O SER A 65 7.575 9.260 -0.437 1.00 0.00 O ATOM 876 CB SER A 65 10.499 10.650 -1.093 1.00 0.00 C ATOM 877 OG SER A 65 11.253 9.463 -1.280 1.00 0.00 O ATOM 0 H SER A 65 11.363 10.669 1.132 1.00 0.00 H new ATOM 0 HA SER A 65 8.811 11.257 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.922 10.873 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.166 11.496 -0.925 1.00 0.00 H new ATOM 0 HG SER A 65 11.852 9.574 -2.048 1.00 0.00 H new ATOM 883 N GLN A 66 9.278 8.057 0.381 1.00 0.00 N ATOM 884 CA GLN A 66 8.598 6.776 0.302 1.00 0.00 C ATOM 885 C GLN A 66 7.339 6.629 1.136 1.00 0.00 C ATOM 886 O GLN A 66 6.293 6.317 0.569 1.00 0.00 O ATOM 887 CB GLN A 66 9.581 5.634 0.572 1.00 0.00 C ATOM 888 CG GLN A 66 10.644 5.405 -0.497 1.00 0.00 C ATOM 889 CD GLN A 66 11.460 4.200 -0.092 1.00 0.00 C ATOM 890 OE1 GLN A 66 11.157 3.021 -0.249 1.00 0.00 O ATOM 891 NE2 GLN A 66 12.679 4.343 0.441 1.00 0.00 N ATOM 0 H GLN A 66 10.219 7.995 0.770 1.00 0.00 H new ATOM 0 HA GLN A 66 8.230 6.725 -0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.082 5.828 1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.012 4.712 0.695 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.178 5.241 -1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.283 6.283 -0.594 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.050 5.276 0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.237 3.519 0.666 1.00 0.00 H new ATOM 900 N ALA A 67 7.401 6.867 2.451 1.00 0.00 N ATOM 901 CA ALA A 67 6.264 7.163 3.280 1.00 0.00 C ATOM 902 C ALA A 67 5.247 8.081 2.607 1.00 0.00 C ATOM 903 O ALA A 67 4.066 7.770 2.698 1.00 0.00 O ATOM 904 CB ALA A 67 6.822 7.779 4.561 1.00 0.00 C ATOM 0 H ALA A 67 8.280 6.855 2.969 1.00 0.00 H new ATOM 0 HA ALA A 67 5.704 6.250 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.001 8.026 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.488 7.066 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.377 8.685 4.317 1.00 0.00 H new ATOM 910 N ARG A 68 5.626 9.200 1.973 1.00 0.00 N ATOM 911 CA ARG A 68 4.766 10.237 1.431 1.00 0.00 C ATOM 912 C ARG A 68 3.998 9.644 0.268 1.00 0.00 C ATOM 913 O ARG A 68 2.833 10.010 0.122 1.00 0.00 O ATOM 914 CB ARG A 68 5.458 11.567 1.113 1.00 0.00 C ATOM 915 CG ARG A 68 4.643 12.824 1.310 1.00 0.00 C ATOM 916 CD ARG A 68 5.336 13.944 0.552 1.00 0.00 C ATOM 917 NE ARG A 68 4.476 15.118 0.549 1.00 0.00 N ATOM 918 CZ ARG A 68 4.466 16.015 1.554 1.00 0.00 C ATOM 919 NH1 ARG A 68 5.399 16.098 2.509 1.00 0.00 N ATOM 920 NH2 ARG A 68 3.457 16.876 1.734 1.00 0.00 N ATOM 0 H ARG A 68 6.612 9.409 1.820 1.00 0.00 H new ATOM 0 HA ARG A 68 4.070 10.545 2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.352 11.641 1.732 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.791 11.537 0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.627 12.683 0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.566 13.069 2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.292 14.179 1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.549 13.631 -0.470 1.00 0.00 H new ATOM 0 HE ARG A 68 3.855 15.268 -0.247 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.189 15.452 2.508 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.321 16.807 3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.660 16.867 1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.486 17.541 2.507 1.00 0.00 H new ATOM 934 N GLN A 69 4.615 8.812 -0.564 1.00 0.00 N ATOM 935 CA GLN A 69 3.950 8.128 -1.657 1.00 0.00 C ATOM 936 C GLN A 69 2.986 7.127 -1.040 1.00 0.00 C ATOM 937 O GLN A 69 1.870 7.061 -1.535 1.00 0.00 O ATOM 938 CB GLN A 69 5.009 7.438 -2.528 1.00 0.00 C ATOM 939 CG GLN A 69 5.744 8.531 -3.294 1.00 0.00 C ATOM 940 CD GLN A 69 7.135 8.082 -3.735 1.00 0.00 C ATOM 941 OE1 GLN A 69 8.191 8.300 -2.933 1.00 0.00 O flip ATOM 942 NE2 GLN A 69 7.309 7.400 -4.735 1.00 0.00 N flip ATOM 0 H GLN A 69 5.609 8.593 -0.493 1.00 0.00 H new ATOM 0 HA GLN A 69 3.395 8.815 -2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.703 6.868 -1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.542 6.734 -3.216 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.160 8.816 -4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.831 9.418 -2.666 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.530 7.213 -5.367 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.233 7.018 -4.937 1.00 0.00 H new ATOM 951 N LEU A 70 3.468 6.276 -0.127 1.00 0.00 N ATOM 952 CA LEU A 70 2.867 5.089 0.455 1.00 0.00 C ATOM 953 C LEU A 70 1.573 5.429 1.173 1.00 0.00 C ATOM 954 O LEU A 70 0.454 4.980 0.958 1.00 0.00 O ATOM 955 CB LEU A 70 3.866 4.495 1.445 1.00 0.00 C ATOM 956 CG LEU A 70 3.264 3.397 2.318 1.00 0.00 C ATOM 957 CD1 LEU A 70 2.962 2.031 1.698 1.00 0.00 C ATOM 958 CD2 LEU A 70 4.293 3.224 3.439 1.00 0.00 C ATOM 0 H LEU A 70 4.399 6.429 0.261 1.00 0.00 H new ATOM 0 HA LEU A 70 2.631 4.375 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.715 4.089 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.251 5.289 2.085 1.00 0.00 H new ATOM 0 HG LEU A 70 2.264 3.727 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.539 1.372 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.248 2.151 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.883 1.595 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.954 2.451 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.252 2.933 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.406 4.165 3.977 1.00 0.00 H new ATOM 970 N GLU A 71 1.715 6.294 2.174 1.00 0.00 N ATOM 971 CA GLU A 71 0.641 6.766 3.026 1.00 0.00 C ATOM 972 C GLU A 71 -0.487 7.300 2.154 1.00 0.00 C ATOM 973 O GLU A 71 -1.667 7.179 2.441 1.00 0.00 O ATOM 974 CB GLU A 71 1.116 7.874 3.959 1.00 0.00 C ATOM 975 CG GLU A 71 1.874 7.327 5.161 1.00 0.00 C ATOM 976 CD GLU A 71 2.427 8.349 6.147 1.00 0.00 C ATOM 977 OE1 GLU A 71 1.908 9.489 6.203 1.00 0.00 O ATOM 978 OE2 GLU A 71 3.346 8.035 6.922 1.00 0.00 O ATOM 0 H GLU A 71 2.619 6.698 2.419 1.00 0.00 H new ATOM 0 HA GLU A 71 0.295 5.931 3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.759 8.560 3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.257 8.449 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.210 6.655 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.705 6.725 4.793 1.00 0.00 H new ATOM 985 N LYS A 72 -0.240 8.000 1.045 1.00 0.00 N ATOM 986 CA LYS A 72 -1.187 8.520 0.084 1.00 0.00 C ATOM 987 C LYS A 72 -1.824 7.575 -0.926 1.00 0.00 C ATOM 988 O LYS A 72 -2.953 7.838 -1.329 1.00 0.00 O ATOM 989 CB LYS A 72 -0.546 9.685 -0.632 1.00 0.00 C ATOM 990 CG LYS A 72 -0.310 10.777 0.415 1.00 0.00 C ATOM 991 CD LYS A 72 0.177 12.021 -0.321 1.00 0.00 C ATOM 992 CE LYS A 72 0.285 13.144 0.713 1.00 0.00 C ATOM 993 NZ LYS A 72 -1.030 13.765 0.893 1.00 0.00 N ATOM 0 H LYS A 72 0.718 8.233 0.783 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.046 8.791 0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.394 9.384 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.192 10.049 -1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.229 10.990 0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.428 10.452 1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.143 11.837 -0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.517 12.295 -1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.645 12.747 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.010 13.889 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.970 14.777 0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.719 13.307 0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.335 13.652 1.881 1.00 0.00 H new ATOM 1007 N ILE A 73 -1.110 6.550 -1.419 1.00 0.00 N ATOM 1008 CA ILE A 73 -1.803 5.556 -2.203 1.00 0.00 C ATOM 1009 C ILE A 73 -2.742 4.796 -1.286 1.00 0.00 C ATOM 1010 O ILE A 73 -3.927 4.664 -1.591 1.00 0.00 O ATOM 1011 CB ILE A 73 -0.816 4.671 -2.965 1.00 0.00 C ATOM 1012 CG1 ILE A 73 0.236 4.035 -2.052 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -0.111 5.448 -4.067 1.00 0.00 C ATOM 1014 CD1 ILE A 73 1.160 3.014 -2.719 1.00 0.00 C ATOM 0 H ILE A 73 -0.109 6.404 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.409 6.024 -2.979 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.414 3.872 -3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.849 4.829 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.276 3.547 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.583 4.790 -4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.849 5.830 -4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.438 6.282 -3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.865 2.627 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.566 2.193 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.708 3.494 -3.529 1.00 0.00 H new ATOM 1026 N LEU A 74 -2.426 4.633 -0.004 1.00 0.00 N ATOM 1027 CA LEU A 74 -3.306 4.018 0.967 1.00 0.00 C ATOM 1028 C LEU A 74 -4.542 4.814 1.390 1.00 0.00 C ATOM 1029 O LEU A 74 -5.628 4.242 1.467 1.00 0.00 O ATOM 1030 CB LEU A 74 -2.415 3.430 2.048 1.00 0.00 C ATOM 1031 CG LEU A 74 -1.564 2.282 1.537 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -0.589 1.805 2.624 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -2.333 1.055 1.055 1.00 0.00 C ATOM 0 H LEU A 74 -1.534 4.932 0.389 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.868 3.206 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.766 4.211 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.034 3.080 2.874 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.054 2.707 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.012 0.982 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.065 2.628 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.151 1.467 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.630 0.296 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.928 0.653 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.991 1.338 0.233 1.00 0.00 H new ATOM 1045 N GLY A 75 -4.385 6.113 1.606 1.00 0.00 N ATOM 1046 CA GLY A 75 -5.319 7.016 2.250 1.00 0.00 C ATOM 1047 C GLY A 75 -5.569 6.601 3.703 1.00 0.00 C ATOM 1048 O GLY A 75 -6.447 7.192 4.316 1.00 0.00 O ATOM 0 H GLY A 75 -3.536 6.596 1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.927 8.033 2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.261 7.022 1.702 1.00 0.00 H new ATOM 1052 N ILE A 76 -5.080 5.443 4.120 1.00 0.00 N ATOM 1053 CA ILE A 76 -5.232 4.836 5.431 1.00 0.00 C ATOM 1054 C ILE A 76 -3.981 4.619 6.259 1.00 0.00 C ATOM 1055 O ILE A 76 -2.938 4.266 5.706 1.00 0.00 O ATOM 1056 CB ILE A 76 -6.033 3.543 5.407 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -5.362 2.518 4.496 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -7.481 3.795 5.018 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -6.019 1.148 4.654 1.00 0.00 C ATOM 0 H ILE A 76 -4.522 4.857 3.499 1.00 0.00 H new ATOM 0 HA ILE A 76 -5.785 5.625 5.941 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.049 3.128 6.415 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.433 2.844 3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.301 2.449 4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.025 2.851 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.939 4.472 5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.518 4.243 4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.527 0.431 3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.925 0.816 5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.074 1.218 4.390 1.00 0.00 H new ATOM 1071 N LYS A 77 -4.064 4.723 7.587 1.00 0.00 N ATOM 1072 CA LYS A 77 -3.013 4.481 8.570 1.00 0.00 C ATOM 1073 C LYS A 77 -3.514 4.614 10.011 1.00 0.00 C ATOM 1074 O LYS A 77 -4.504 5.327 10.144 1.00 0.00 O ATOM 1075 CB LYS A 77 -1.734 5.281 8.327 1.00 0.00 C ATOM 1076 CG LYS A 77 -1.871 6.801 8.322 1.00 0.00 C ATOM 1077 CD LYS A 77 -0.520 7.504 8.177 1.00 0.00 C ATOM 1078 CE LYS A 77 -0.492 9.015 8.043 1.00 0.00 C ATOM 1079 NZ LYS A 77 -0.828 9.390 6.657 1.00 0.00 N ATOM 0 H LYS A 77 -4.937 5.000 8.035 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.730 3.438 8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.009 5.006 9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.316 4.973 7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.525 7.102 7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.349 7.124 9.247 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.085 7.239 9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.023 7.086 7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.203 9.466 8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.495 9.396 8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.415 10.249 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.047 9.571 6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.354 8.615 6.205 1.00 0.00 H new ATOM 1093 N LEU A 78 -2.899 3.947 10.996 1.00 0.00 N ATOM 1094 CA LEU A 78 -3.320 4.048 12.361 1.00 0.00 C ATOM 1095 C LEU A 78 -2.141 3.999 13.335 1.00 0.00 C ATOM 1096 O LEU A 78 -1.326 3.100 13.441 1.00 0.00 O ATOM 1097 CB LEU A 78 -4.401 3.043 12.789 1.00 0.00 C ATOM 1098 CG LEU A 78 -5.837 3.537 12.554 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -6.774 2.386 12.886 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -6.155 4.751 13.416 1.00 0.00 C ATOM 0 H LEU A 78 -2.100 3.330 10.849 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.789 5.031 12.411 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.254 2.111 12.243 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.274 2.816 13.847 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.958 3.848 11.516 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.806 2.701 12.730 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.552 1.538 12.239 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.637 2.094 13.927 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.178 5.075 13.225 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.048 4.488 14.468 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.467 5.561 13.172 1.00 0.00 H new