USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 634 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 29 LYS NZ :NH3+ -152:sc= 0.00235 (180deg=0) USER MOD Set 1.2: A 57 HIS : no HE2:sc= -7.24! C(o=-7.2!,f=-8.4!) USER MOD Set 1.3: A 59 TYR OH : rot 15:sc= 0 USER MOD Set 2.1: A 28 CYS SG : rot -178:sc= -0.24! USER MOD Set 2.2: A 31 CYS SG : rot -55:sc= -0.192 USER MOD Set 2.3: A 60 HIS : no HD1:sc= -0.0513 X(o=-1.3,f=-1.7) USER MOD Set 2.4: A 63 CYS SG : rot 133:sc= -0.785 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 90:sc= -0.995 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -102:sc= 0.288 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 147:sc= -0.571 (180deg=-2.38!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.164 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HE2:sc= -4.69! C(o=-4.7!,f=-5.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.68 K(o=-1.7,f=-5.4!) USER MOD Single : A 90 GLN : amide:sc= -0.741 K(o=-0.74,f=-4.8!) USER MOD Single : A 91 LYS NZ :NH3+ -123:sc= -0.023 (180deg=-0.552) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N LEU A 15 2.580 10.162 -2.215 1.00 0.00 N ATOM 165 CA LEU A 15 1.186 10.303 -1.808 1.00 0.00 C ATOM 166 C LEU A 15 0.602 8.957 -1.388 1.00 0.00 C ATOM 167 O LEU A 15 -0.142 8.869 -0.411 1.00 0.00 O ATOM 168 CB LEU A 15 0.358 10.897 -2.949 1.00 0.00 C ATOM 169 CG LEU A 15 0.608 12.373 -3.261 1.00 0.00 C ATOM 170 CD1 LEU A 15 1.738 12.521 -4.268 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.662 13.030 -3.781 1.00 0.00 C ATOM 0 HA LEU A 15 1.150 10.977 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.552 10.318 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.698 10.771 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 15 0.902 12.875 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.902 13.578 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.650 12.087 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.473 12.004 -5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.466 14.080 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.986 12.526 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.445 12.956 -3.027 1.00 0.00 H new ATOM 183 N TYR A 16 0.946 7.912 -2.131 1.00 0.00 N ATOM 184 CA TYR A 16 0.456 6.570 -1.837 1.00 0.00 C ATOM 185 C TYR A 16 1.531 5.737 -1.146 1.00 0.00 C ATOM 186 O TYR A 16 2.726 5.989 -1.306 1.00 0.00 O ATOM 187 CB TYR A 16 0.005 5.876 -3.123 1.00 0.00 C ATOM 188 CG TYR A 16 -0.942 6.706 -3.959 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.276 6.851 -3.598 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.502 7.347 -5.111 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.144 7.608 -4.360 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.364 8.107 -5.879 1.00 0.00 C ATOM 193 CZ TYR A 16 -2.684 8.234 -5.499 1.00 0.00 C ATOM 194 OH TYR A 16 -3.545 8.991 -6.260 1.00 0.00 O ATOM 0 H TYR A 16 1.562 7.968 -2.942 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.396 6.661 -1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.883 5.630 -3.720 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.480 4.934 -2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.640 6.363 -2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.531 7.250 -5.411 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.178 7.709 -4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.006 8.599 -6.772 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.062 9.364 -7.027 1.00 0.00 H new ATOM 204 N ARG A 17 1.098 4.743 -0.378 1.00 0.00 N ATOM 205 CA ARG A 17 2.022 3.872 0.339 1.00 0.00 C ATOM 206 C ARG A 17 1.396 2.503 0.586 1.00 0.00 C ATOM 207 O ARG A 17 0.440 2.374 1.351 1.00 0.00 O ATOM 208 CB ARG A 17 2.427 4.508 1.670 1.00 0.00 C ATOM 209 CG ARG A 17 3.395 3.661 2.480 1.00 0.00 C ATOM 210 CD ARG A 17 3.852 4.386 3.736 1.00 0.00 C ATOM 211 NE ARG A 17 4.989 5.265 3.477 1.00 0.00 N ATOM 212 CZ ARG A 17 5.662 5.897 4.433 1.00 0.00 C ATOM 213 NH1 ARG A 17 5.315 5.746 5.703 1.00 0.00 N ATOM 214 NH2 ARG A 17 6.686 6.680 4.118 1.00 0.00 N ATOM 0 H ARG A 17 0.113 4.520 -0.236 1.00 0.00 H new ATOM 0 HA ARG A 17 2.911 3.740 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.882 5.479 1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.531 4.689 2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.916 2.721 2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.261 3.410 1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.025 4.972 4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.125 3.655 4.497 1.00 0.00 H new ATOM 0 HE ARG A 17 5.283 5.401 2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.530 5.143 5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.833 6.232 6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.957 6.797 3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.202 7.165 4.852 1.00 0.00 H new ATOM 228 N VAL A 18 1.943 1.482 -0.066 1.00 0.00 N ATOM 229 CA VAL A 18 1.440 0.121 0.083 1.00 0.00 C ATOM 230 C VAL A 18 2.453 -0.764 0.800 1.00 0.00 C ATOM 231 O VAL A 18 3.640 -0.751 0.476 1.00 0.00 O ATOM 232 CB VAL A 18 1.102 -0.505 -1.283 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.285 -0.386 -2.232 1.00 0.00 C ATOM 234 CG2 VAL A 18 0.688 -1.959 -1.114 1.00 0.00 C ATOM 0 H VAL A 18 2.735 1.571 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 18 0.530 0.183 0.680 1.00 0.00 H new ATOM 0 HB VAL A 18 0.263 0.040 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.028 -0.834 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.531 0.666 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.145 -0.905 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.453 -2.386 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.505 -2.520 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.191 -2.015 -0.472 1.00 0.00 H new ATOM 244 N GLU A 19 1.975 -1.532 1.774 1.00 0.00 N ATOM 245 CA GLU A 19 2.841 -2.424 2.536 1.00 0.00 C ATOM 246 C GLU A 19 2.019 -3.461 3.297 1.00 0.00 C ATOM 247 O GLU A 19 0.796 -3.354 3.387 1.00 0.00 O ATOM 248 CB GLU A 19 3.702 -1.622 3.515 1.00 0.00 C ATOM 249 CG GLU A 19 2.907 -0.982 4.641 1.00 0.00 C ATOM 250 CD GLU A 19 3.744 -0.037 5.481 1.00 0.00 C ATOM 251 OE1 GLU A 19 4.980 -0.210 5.515 1.00 0.00 O ATOM 252 OE2 GLU A 19 3.163 0.876 6.105 1.00 0.00 O ATOM 0 H GLU A 19 0.994 -1.554 2.054 1.00 0.00 H new ATOM 0 HA GLU A 19 3.491 -2.945 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.458 -2.280 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.231 -0.843 2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.062 -0.437 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.496 -1.763 5.280 1.00 0.00 H new ATOM 259 N TYR A 20 2.700 -4.463 3.840 1.00 0.00 N ATOM 260 CA TYR A 20 2.034 -5.522 4.590 1.00 0.00 C ATOM 261 C TYR A 20 1.636 -5.037 5.981 1.00 0.00 C ATOM 262 O TYR A 20 2.488 -4.820 6.842 1.00 0.00 O ATOM 263 CB TYR A 20 2.945 -6.745 4.706 1.00 0.00 C ATOM 264 CG TYR A 20 3.498 -7.215 3.380 1.00 0.00 C ATOM 265 CD1 TYR A 20 2.650 -7.594 2.347 1.00 0.00 C ATOM 266 CD2 TYR A 20 4.869 -7.282 3.161 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.151 -8.026 1.133 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.378 -7.711 1.950 1.00 0.00 C ATOM 269 CZ TYR A 20 4.516 -8.082 0.940 1.00 0.00 C ATOM 270 OH TYR A 20 5.019 -8.511 -0.267 1.00 0.00 O ATOM 0 H TYR A 20 3.713 -4.565 3.775 1.00 0.00 H new ATOM 0 HA TYR A 20 1.130 -5.801 4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.774 -6.508 5.373 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.388 -7.560 5.167 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.581 -7.550 2.495 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.548 -6.994 3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.478 -8.318 0.340 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.446 -7.755 1.795 1.00 0.00 H new ATOM 0 HH TYR A 20 5.129 -7.744 -0.867 1.00 0.00 H new ATOM 280 N ALA A 21 0.335 -4.868 6.192 1.00 0.00 N ATOM 281 CA ALA A 21 -0.178 -4.412 7.477 1.00 0.00 C ATOM 282 C ALA A 21 0.632 -4.994 8.630 1.00 0.00 C ATOM 283 O ALA A 21 1.037 -6.157 8.593 1.00 0.00 O ATOM 284 CB ALA A 21 -1.647 -4.782 7.622 1.00 0.00 C ATOM 0 H ALA A 21 -0.383 -5.040 5.489 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.083 -3.327 7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.016 -4.435 8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.221 -4.312 6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.757 -5.865 7.560 1.00 0.00 H new ATOM 290 N LYS A 22 0.867 -4.180 9.653 1.00 0.00 N ATOM 291 CA LYS A 22 1.629 -4.614 10.818 1.00 0.00 C ATOM 292 C LYS A 22 0.715 -5.253 11.859 1.00 0.00 C ATOM 293 O LYS A 22 1.019 -6.318 12.396 1.00 0.00 O ATOM 294 CB LYS A 22 2.374 -3.429 11.437 1.00 0.00 C ATOM 295 CG LYS A 22 3.375 -2.782 10.496 1.00 0.00 C ATOM 296 CD LYS A 22 4.463 -2.046 11.260 1.00 0.00 C ATOM 297 CE LYS A 22 4.044 -0.622 11.594 1.00 0.00 C ATOM 298 NZ LYS A 22 4.391 0.329 10.503 1.00 0.00 N ATOM 0 H LYS A 22 0.540 -3.215 9.699 1.00 0.00 H new ATOM 0 HA LYS A 22 2.354 -5.359 10.490 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.648 -2.680 11.753 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.895 -3.766 12.333 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.827 -3.546 9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.858 -2.086 9.836 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.691 -2.585 12.180 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.377 -2.028 10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.969 -0.592 11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.530 -0.308 12.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.089 1.288 10.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.419 0.320 10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.907 0.044 9.627 1.00 0.00 H new ATOM 312 N SER A 23 -0.406 -4.596 12.138 1.00 0.00 N ATOM 313 CA SER A 23 -1.363 -5.100 13.117 1.00 0.00 C ATOM 314 C SER A 23 -2.796 -4.849 12.654 1.00 0.00 C ATOM 315 O SER A 23 -3.088 -3.833 12.026 1.00 0.00 O ATOM 316 CB SER A 23 -1.131 -4.437 14.476 1.00 0.00 C ATOM 317 OG SER A 23 0.050 -4.927 15.087 1.00 0.00 O ATOM 0 H SER A 23 -0.674 -3.714 11.701 1.00 0.00 H new ATOM 0 HA SER A 23 -1.214 -6.175 13.215 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.058 -3.357 14.349 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.985 -4.624 15.126 1.00 0.00 H new ATOM 0 HG SER A 23 0.177 -4.487 15.953 1.00 0.00 H new ATOM 323 N GLY A 24 -3.685 -5.785 12.970 1.00 0.00 N ATOM 324 CA GLY A 24 -5.076 -5.649 12.580 1.00 0.00 C ATOM 325 C GLY A 24 -5.797 -4.572 13.367 1.00 0.00 C ATOM 326 O GLY A 24 -6.623 -4.872 14.229 1.00 0.00 O ATOM 0 H GLY A 24 -3.467 -6.635 13.489 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.131 -5.416 11.517 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.585 -6.602 12.724 1.00 0.00 H new ATOM 330 N ARG A 25 -5.482 -3.315 13.071 1.00 0.00 N ATOM 331 CA ARG A 25 -6.104 -2.190 13.760 1.00 0.00 C ATOM 332 C ARG A 25 -6.733 -1.222 12.762 1.00 0.00 C ATOM 333 O ARG A 25 -7.877 -0.800 12.929 1.00 0.00 O ATOM 334 CB ARG A 25 -5.071 -1.456 14.617 1.00 0.00 C ATOM 335 CG ARG A 25 -4.704 -2.193 15.895 1.00 0.00 C ATOM 336 CD ARG A 25 -5.701 -1.908 17.007 1.00 0.00 C ATOM 337 NE ARG A 25 -5.100 -2.051 18.330 1.00 0.00 N ATOM 338 CZ ARG A 25 -5.767 -1.867 19.464 1.00 0.00 C ATOM 339 NH1 ARG A 25 -7.050 -1.534 19.436 1.00 0.00 N ATOM 340 NH2 ARG A 25 -5.150 -2.015 20.630 1.00 0.00 N ATOM 0 H ARG A 25 -4.801 -3.050 12.360 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.890 -2.581 14.406 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.168 -1.298 14.027 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.460 -0.471 14.875 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.670 -3.265 15.701 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.705 -1.895 16.215 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.091 -0.897 16.894 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.548 -2.588 16.918 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.114 -2.306 18.387 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.528 -1.418 18.542 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.560 -1.393 20.308 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.163 -2.270 20.656 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.663 -1.873 21.500 1.00 0.00 H new ATOM 354 N ALA A 26 -5.977 -0.875 11.726 1.00 0.00 N ATOM 355 CA ALA A 26 -6.461 0.042 10.701 1.00 0.00 C ATOM 356 C ALA A 26 -7.784 -0.440 10.114 1.00 0.00 C ATOM 357 O ALA A 26 -8.170 -1.595 10.295 1.00 0.00 O ATOM 358 CB ALA A 26 -5.421 0.202 9.602 1.00 0.00 C ATOM 0 H ALA A 26 -5.027 -1.215 11.574 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.632 1.012 11.168 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.796 0.889 8.844 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.500 0.599 10.028 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.221 -0.768 9.146 1.00 0.00 H new ATOM 364 N SER A 27 -8.473 0.452 9.409 1.00 0.00 N ATOM 365 CA SER A 27 -9.755 0.118 8.799 1.00 0.00 C ATOM 366 C SER A 27 -9.858 0.708 7.396 1.00 0.00 C ATOM 367 O SER A 27 -9.025 1.516 6.986 1.00 0.00 O ATOM 368 CB SER A 27 -10.906 0.631 9.667 1.00 0.00 C ATOM 369 OG SER A 27 -10.773 2.019 9.920 1.00 0.00 O ATOM 0 H SER A 27 -8.165 1.411 9.246 1.00 0.00 H new ATOM 0 HA SER A 27 -9.823 -0.967 8.724 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.856 0.438 9.168 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.925 0.086 10.611 1.00 0.00 H new ATOM 0 HG SER A 27 -11.521 2.324 10.475 1.00 0.00 H new ATOM 375 N CYS A 28 -10.888 0.298 6.663 1.00 0.00 N ATOM 376 CA CYS A 28 -11.103 0.783 5.305 1.00 0.00 C ATOM 377 C CYS A 28 -12.337 1.679 5.237 1.00 0.00 C ATOM 378 O CYS A 28 -13.208 1.622 6.105 1.00 0.00 O ATOM 379 CB CYS A 28 -11.258 -0.393 4.339 1.00 0.00 C ATOM 380 SG CYS A 28 -11.821 0.083 2.673 1.00 0.00 S ATOM 0 H CYS A 28 -11.587 -0.370 6.987 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.232 1.371 5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.301 -0.908 4.254 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.967 -1.105 4.761 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.954 -0.982 1.939 1.00 0.00 H new ATOM 385 N LYS A 29 -12.404 2.505 4.198 1.00 0.00 N ATOM 386 CA LYS A 29 -13.531 3.412 4.013 1.00 0.00 C ATOM 387 C LYS A 29 -14.380 2.988 2.819 1.00 0.00 C ATOM 388 O LYS A 29 -15.606 3.099 2.844 1.00 0.00 O ATOM 389 CB LYS A 29 -13.031 4.845 3.815 1.00 0.00 C ATOM 390 CG LYS A 29 -12.053 5.301 4.884 1.00 0.00 C ATOM 391 CD LYS A 29 -12.772 5.910 6.075 1.00 0.00 C ATOM 392 CE LYS A 29 -11.932 6.989 6.741 1.00 0.00 C ATOM 393 NZ LYS A 29 -11.980 8.273 5.988 1.00 0.00 N ATOM 0 H LYS A 29 -11.691 2.565 3.471 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.150 3.371 4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.552 4.922 2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.886 5.521 3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.453 4.453 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.365 6.033 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.721 6.336 5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.004 5.129 6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.289 7.151 7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.899 6.650 6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.100 8.803 6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.085 8.076 4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.789 8.838 6.316 1.00 0.00 H new ATOM 407 N LYS A 30 -13.720 2.502 1.773 1.00 0.00 N ATOM 408 CA LYS A 30 -14.413 2.059 0.569 1.00 0.00 C ATOM 409 C LYS A 30 -15.527 1.076 0.913 1.00 0.00 C ATOM 410 O LYS A 30 -16.597 1.096 0.304 1.00 0.00 O ATOM 411 CB LYS A 30 -13.426 1.408 -0.403 1.00 0.00 C ATOM 412 CG LYS A 30 -14.077 0.888 -1.673 1.00 0.00 C ATOM 413 CD LYS A 30 -14.464 2.023 -2.606 1.00 0.00 C ATOM 414 CE LYS A 30 -15.965 2.268 -2.593 1.00 0.00 C ATOM 415 NZ LYS A 30 -16.309 3.631 -3.084 1.00 0.00 N ATOM 0 H LYS A 30 -12.705 2.405 1.735 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.858 2.933 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.658 2.135 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.923 0.583 0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.391 0.213 -2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.963 0.308 -1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.943 2.933 -2.309 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.141 1.788 -3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.460 1.522 -3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.345 2.141 -1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.341 3.759 -3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.858 4.343 -2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.969 3.744 -4.060 1.00 0.00 H new ATOM 429 N CYS A 31 -15.270 0.217 1.894 1.00 0.00 N ATOM 430 CA CYS A 31 -16.251 -0.774 2.321 1.00 0.00 C ATOM 431 C CYS A 31 -16.648 -0.553 3.777 1.00 0.00 C ATOM 432 O CYS A 31 -17.694 -1.024 4.225 1.00 0.00 O ATOM 433 CB CYS A 31 -15.691 -2.186 2.142 1.00 0.00 C ATOM 434 SG CYS A 31 -14.280 -2.570 3.229 1.00 0.00 S ATOM 0 H CYS A 31 -14.390 0.187 2.409 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.139 -0.661 1.699 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.487 -2.907 2.329 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.382 -2.314 1.105 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.351 -1.675 3.067 1.00 0.00 H new ATOM 439 N SER A 32 -15.807 0.167 4.512 1.00 0.00 N ATOM 440 CA SER A 32 -16.068 0.448 5.919 1.00 0.00 C ATOM 441 C SER A 32 -15.932 -0.818 6.760 1.00 0.00 C ATOM 442 O SER A 32 -16.796 -1.126 7.579 1.00 0.00 O ATOM 443 CB SER A 32 -17.468 1.040 6.091 1.00 0.00 C ATOM 444 OG SER A 32 -17.572 1.759 7.308 1.00 0.00 O ATOM 0 H SER A 32 -14.939 0.567 4.156 1.00 0.00 H new ATOM 0 HA SER A 32 -15.330 1.173 6.263 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.692 1.701 5.254 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.209 0.241 6.073 1.00 0.00 H new ATOM 0 HG SER A 32 -18.476 2.129 7.393 1.00 0.00 H new ATOM 450 N GLU A 33 -14.840 -1.546 6.550 1.00 0.00 N ATOM 451 CA GLU A 33 -14.590 -2.778 7.288 1.00 0.00 C ATOM 452 C GLU A 33 -13.244 -2.721 8.003 1.00 0.00 C ATOM 453 O GLU A 33 -12.556 -1.700 7.975 1.00 0.00 O ATOM 454 CB GLU A 33 -14.627 -3.981 6.342 1.00 0.00 C ATOM 455 CG GLU A 33 -15.987 -4.212 5.704 1.00 0.00 C ATOM 456 CD GLU A 33 -16.874 -5.120 6.533 1.00 0.00 C ATOM 457 OE1 GLU A 33 -17.244 -4.722 7.657 1.00 0.00 O ATOM 458 OE2 GLU A 33 -17.198 -6.228 6.058 1.00 0.00 O ATOM 0 H GLU A 33 -14.115 -1.304 5.875 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.375 -2.888 8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.886 -3.837 5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.337 -4.875 6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.486 -3.253 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.850 -4.648 4.715 1.00 0.00 H new ATOM 465 N SER A 34 -12.874 -3.825 8.645 1.00 0.00 N ATOM 466 CA SER A 34 -11.612 -3.900 9.372 1.00 0.00 C ATOM 467 C SER A 34 -10.541 -4.590 8.532 1.00 0.00 C ATOM 468 O SER A 34 -10.791 -5.628 7.918 1.00 0.00 O ATOM 469 CB SER A 34 -11.803 -4.651 10.691 1.00 0.00 C ATOM 470 OG SER A 34 -10.562 -5.099 11.207 1.00 0.00 O ATOM 0 H SER A 34 -13.430 -4.679 8.676 1.00 0.00 H new ATOM 0 HA SER A 34 -11.283 -2.883 9.585 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.288 -3.999 11.417 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.465 -5.503 10.535 1.00 0.00 H new ATOM 0 HG SER A 34 -10.711 -5.574 12.051 1.00 0.00 H new ATOM 476 N ILE A 35 -9.348 -4.005 8.509 1.00 0.00 N ATOM 477 CA ILE A 35 -8.239 -4.563 7.746 1.00 0.00 C ATOM 478 C ILE A 35 -7.495 -5.622 8.552 1.00 0.00 C ATOM 479 O ILE A 35 -7.101 -5.403 9.697 1.00 0.00 O ATOM 480 CB ILE A 35 -7.245 -3.469 7.316 1.00 0.00 C ATOM 481 CG1 ILE A 35 -7.935 -2.451 6.405 1.00 0.00 C ATOM 482 CG2 ILE A 35 -6.046 -4.088 6.613 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.153 -1.168 6.231 1.00 0.00 C ATOM 0 H ILE A 35 -9.125 -3.145 9.010 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.668 -5.023 6.856 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.892 -2.951 8.207 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.098 -2.903 5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.917 -2.216 6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.353 -3.301 6.315 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.543 -4.778 7.291 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.382 -4.629 5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.702 -0.494 5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.012 -0.693 7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.181 -1.391 5.792 1.00 0.00 H new ATOM 495 N PRO A 36 -7.294 -6.799 7.940 1.00 0.00 N ATOM 496 CA PRO A 36 -6.594 -7.915 8.581 1.00 0.00 C ATOM 497 C PRO A 36 -5.104 -7.641 8.756 1.00 0.00 C ATOM 498 O PRO A 36 -4.534 -6.793 8.070 1.00 0.00 O ATOM 499 CB PRO A 36 -6.813 -9.078 7.609 1.00 0.00 C ATOM 500 CG PRO A 36 -7.034 -8.428 6.287 1.00 0.00 C ATOM 501 CD PRO A 36 -7.736 -7.130 6.575 1.00 0.00 C ATOM 0 HA PRO A 36 -6.968 -8.106 9.587 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.949 -9.742 7.585 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.671 -9.683 7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.088 -8.254 5.775 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.637 -9.062 5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.455 -6.354 5.862 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.819 -7.238 6.518 1.00 0.00 H new ATOM 509 N LYS A 37 -4.478 -8.365 9.677 1.00 0.00 N ATOM 510 CA LYS A 37 -3.053 -8.202 9.942 1.00 0.00 C ATOM 511 C LYS A 37 -2.220 -8.992 8.938 1.00 0.00 C ATOM 512 O LYS A 37 -2.650 -10.033 8.442 1.00 0.00 O ATOM 513 CB LYS A 37 -2.722 -8.656 11.365 1.00 0.00 C ATOM 514 CG LYS A 37 -1.242 -8.580 11.699 1.00 0.00 C ATOM 515 CD LYS A 37 -0.972 -9.004 13.133 1.00 0.00 C ATOM 516 CE LYS A 37 0.510 -9.252 13.370 1.00 0.00 C ATOM 517 NZ LYS A 37 0.748 -10.054 14.602 1.00 0.00 N ATOM 0 H LYS A 37 -4.935 -9.071 10.253 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.808 -7.145 9.839 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.278 -8.040 12.072 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.064 -9.682 11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.681 -9.220 11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.885 -7.561 11.546 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.327 -8.231 13.815 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.534 -9.910 13.358 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.933 -9.772 12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.029 -8.297 13.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.770 -10.201 14.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.367 -9.546 15.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.274 -10.975 14.513 1.00 0.00 H new ATOM 531 N ASP A 38 -1.025 -8.491 8.643 1.00 0.00 N ATOM 532 CA ASP A 38 -0.130 -9.151 7.700 1.00 0.00 C ATOM 533 C ASP A 38 -0.806 -9.331 6.345 1.00 0.00 C ATOM 534 O ASP A 38 -0.721 -10.397 5.734 1.00 0.00 O ATOM 535 CB ASP A 38 0.311 -10.509 8.249 1.00 0.00 C ATOM 536 CG ASP A 38 1.442 -11.119 7.444 1.00 0.00 C ATOM 537 OD1 ASP A 38 2.352 -10.367 7.037 1.00 0.00 O ATOM 538 OD2 ASP A 38 1.417 -12.348 7.221 1.00 0.00 O ATOM 0 H ASP A 38 -0.654 -7.630 9.044 1.00 0.00 H new ATOM 0 HA ASP A 38 0.748 -8.519 7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.628 -10.393 9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.539 -11.191 8.250 1.00 0.00 H new ATOM 543 N SER A 39 -1.477 -8.282 5.880 1.00 0.00 N ATOM 544 CA SER A 39 -2.172 -8.326 4.599 1.00 0.00 C ATOM 545 C SER A 39 -1.751 -7.159 3.712 1.00 0.00 C ATOM 546 O SER A 39 -1.299 -6.123 4.202 1.00 0.00 O ATOM 547 CB SER A 39 -3.686 -8.297 4.814 1.00 0.00 C ATOM 548 OG SER A 39 -4.140 -6.978 5.068 1.00 0.00 O ATOM 0 H SER A 39 -1.554 -7.391 6.371 1.00 0.00 H new ATOM 0 HA SER A 39 -1.901 -9.256 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.189 -8.695 3.933 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.950 -8.943 5.651 1.00 0.00 H new ATOM 0 HG SER A 39 -4.301 -6.867 6.028 1.00 0.00 H new ATOM 554 N LEU A 40 -1.901 -7.333 2.404 1.00 0.00 N ATOM 555 CA LEU A 40 -1.536 -6.295 1.446 1.00 0.00 C ATOM 556 C LEU A 40 -2.591 -5.193 1.409 1.00 0.00 C ATOM 557 O LEU A 40 -3.741 -5.434 1.041 1.00 0.00 O ATOM 558 CB LEU A 40 -1.363 -6.898 0.051 1.00 0.00 C ATOM 559 CG LEU A 40 -0.889 -5.938 -1.041 1.00 0.00 C ATOM 560 CD1 LEU A 40 0.507 -5.422 -0.730 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.917 -6.621 -2.400 1.00 0.00 C ATOM 0 H LEU A 40 -2.273 -8.184 1.982 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.590 -5.857 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.651 -7.720 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.316 -7.327 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.570 -5.087 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.827 -4.741 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.496 -4.894 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.200 -6.261 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.577 -5.923 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.260 -7.491 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.935 -6.939 -2.626 1.00 0.00 H new ATOM 573 N ARG A 41 -2.191 -3.985 1.791 1.00 0.00 N ATOM 574 CA ARG A 41 -3.101 -2.846 1.801 1.00 0.00 C ATOM 575 C ARG A 41 -2.448 -1.622 1.166 1.00 0.00 C ATOM 576 O ARG A 41 -1.245 -1.614 0.906 1.00 0.00 O ATOM 577 CB ARG A 41 -3.532 -2.523 3.233 1.00 0.00 C ATOM 578 CG ARG A 41 -2.442 -1.863 4.062 1.00 0.00 C ATOM 579 CD ARG A 41 -2.854 -1.731 5.520 1.00 0.00 C ATOM 580 NE ARG A 41 -1.699 -1.635 6.408 1.00 0.00 N ATOM 581 CZ ARG A 41 -1.741 -1.068 7.609 1.00 0.00 C ATOM 582 NH1 ARG A 41 -2.874 -0.550 8.062 1.00 0.00 N ATOM 583 NH2 ARG A 41 -0.648 -1.019 8.359 1.00 0.00 N ATOM 0 H ARG A 41 -1.242 -3.770 2.098 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.981 -3.111 1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.402 -1.866 3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.845 -3.444 3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.526 -2.449 3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.220 -0.877 3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.479 -0.846 5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.460 -2.591 5.805 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.812 -2.024 6.089 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.717 -0.586 7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.903 -0.115 8.984 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.226 -1.417 8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.681 -0.584 9.281 1.00 0.00 H new ATOM 597 N MET A 42 -3.250 -0.592 0.918 1.00 0.00 N ATOM 598 CA MET A 42 -2.749 0.637 0.314 1.00 0.00 C ATOM 599 C MET A 42 -3.112 1.849 1.166 1.00 0.00 C ATOM 600 O MET A 42 -3.995 1.777 2.020 1.00 0.00 O ATOM 601 CB MET A 42 -3.315 0.804 -1.098 1.00 0.00 C ATOM 602 CG MET A 42 -2.807 -0.236 -2.083 1.00 0.00 C ATOM 603 SD MET A 42 -3.381 0.063 -3.766 1.00 0.00 S ATOM 604 CE MET A 42 -1.967 0.914 -4.461 1.00 0.00 C ATOM 0 H MET A 42 -4.249 -0.584 1.126 1.00 0.00 H new ATOM 0 HA MET A 42 -1.663 0.567 0.257 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.403 0.749 -1.053 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.061 1.797 -1.468 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.717 -0.241 -2.070 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.134 -1.225 -1.762 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.170 1.166 -5.502 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.778 1.827 -3.897 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.091 0.267 -4.408 1.00 0.00 H new ATOM 614 N ALA A 43 -2.424 2.961 0.929 1.00 0.00 N ATOM 615 CA ALA A 43 -2.676 4.189 1.674 1.00 0.00 C ATOM 616 C ALA A 43 -2.843 5.377 0.733 1.00 0.00 C ATOM 617 O ALA A 43 -2.245 5.419 -0.343 1.00 0.00 O ATOM 618 CB ALA A 43 -1.547 4.449 2.660 1.00 0.00 C ATOM 0 H ALA A 43 -1.688 3.037 0.227 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.606 4.064 2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.748 5.369 3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.476 3.616 3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.606 4.548 2.118 1.00 0.00 H new ATOM 624 N ILE A 44 -3.660 6.341 1.144 1.00 0.00 N ATOM 625 CA ILE A 44 -3.905 7.530 0.338 1.00 0.00 C ATOM 626 C ILE A 44 -3.877 8.791 1.195 1.00 0.00 C ATOM 627 O ILE A 44 -4.563 8.877 2.213 1.00 0.00 O ATOM 628 CB ILE A 44 -5.260 7.448 -0.390 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.282 6.246 -1.337 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.530 8.735 -1.153 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.662 5.918 -1.864 1.00 0.00 C ATOM 0 H ILE A 44 -4.164 6.322 2.031 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.106 7.579 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.048 7.317 0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.618 6.444 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.884 5.375 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.491 8.661 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.552 9.573 -0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.741 8.894 -1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.602 5.056 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.325 5.688 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.054 6.773 -2.414 1.00 0.00 H new ATOM 643 N MET A 45 -3.081 9.769 0.775 1.00 0.00 N ATOM 644 CA MET A 45 -2.967 11.027 1.502 1.00 0.00 C ATOM 645 C MET A 45 -4.027 12.021 1.040 1.00 0.00 C ATOM 646 O MET A 45 -3.862 12.691 0.020 1.00 0.00 O ATOM 647 CB MET A 45 -1.572 11.626 1.312 1.00 0.00 C ATOM 648 CG MET A 45 -0.457 10.763 1.881 1.00 0.00 C ATOM 649 SD MET A 45 -0.061 11.178 3.590 1.00 0.00 S ATOM 650 CE MET A 45 -1.339 10.275 4.462 1.00 0.00 C ATOM 0 H MET A 45 -2.505 9.714 -0.065 1.00 0.00 H new ATOM 0 HA MET A 45 -3.125 10.821 2.561 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.394 11.780 0.248 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.539 12.607 1.786 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.749 9.714 1.824 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.436 10.879 1.267 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.952 9.931 5.421 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.196 10.928 4.630 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.649 9.416 3.866 1.00 0.00 H new ATOM 660 N VAL A 46 -5.117 12.112 1.796 1.00 0.00 N ATOM 661 CA VAL A 46 -6.204 13.025 1.464 1.00 0.00 C ATOM 662 C VAL A 46 -6.382 14.085 2.546 1.00 0.00 C ATOM 663 O VAL A 46 -5.728 14.037 3.588 1.00 0.00 O ATOM 664 CB VAL A 46 -7.533 12.270 1.277 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.460 11.350 0.068 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.882 11.486 2.533 1.00 0.00 C ATOM 0 H VAL A 46 -5.270 11.564 2.643 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.935 13.510 0.526 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.323 13.000 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.408 10.825 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.260 11.940 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.659 10.625 0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.824 10.959 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.092 10.765 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.980 12.172 3.374 1.00 0.00 H new ATOM 676 N GLN A 47 -7.270 15.040 2.290 1.00 0.00 N ATOM 677 CA GLN A 47 -7.533 16.112 3.243 1.00 0.00 C ATOM 678 C GLN A 47 -8.710 15.760 4.147 1.00 0.00 C ATOM 679 O GLN A 47 -9.546 14.927 3.798 1.00 0.00 O ATOM 680 CB GLN A 47 -7.816 17.421 2.504 1.00 0.00 C ATOM 681 CG GLN A 47 -6.571 18.252 2.241 1.00 0.00 C ATOM 682 CD GLN A 47 -6.859 19.740 2.211 1.00 0.00 C ATOM 683 OE1 GLN A 47 -7.688 20.209 1.431 1.00 0.00 O ATOM 684 NE2 GLN A 47 -6.173 20.493 3.063 1.00 0.00 N ATOM 0 H GLN A 47 -7.819 15.094 1.432 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.646 16.238 3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.299 17.195 1.554 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.521 18.013 3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.830 18.045 3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.132 17.951 1.290 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.495 20.063 3.692 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.324 21.501 3.088 1.00 0.00 H new ATOM 693 N SER A 48 -8.767 16.399 5.311 1.00 0.00 N ATOM 694 CA SER A 48 -9.840 16.150 6.268 1.00 0.00 C ATOM 695 C SER A 48 -10.751 17.367 6.392 1.00 0.00 C ATOM 696 O SER A 48 -10.301 18.491 6.616 1.00 0.00 O ATOM 697 CB SER A 48 -9.257 15.793 7.637 1.00 0.00 C ATOM 698 OG SER A 48 -10.128 14.934 8.353 1.00 0.00 O ATOM 0 H SER A 48 -8.084 17.093 5.615 1.00 0.00 H new ATOM 0 HA SER A 48 -10.432 15.311 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.289 15.310 7.509 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.085 16.703 8.211 1.00 0.00 H new ATOM 0 HG SER A 48 -9.733 14.719 9.224 1.00 0.00 H new ATOM 774 N LYS A 54 -4.168 16.512 6.603 1.00 0.00 N ATOM 775 CA LYS A 54 -4.434 15.307 5.827 1.00 0.00 C ATOM 776 C LYS A 54 -4.433 14.072 6.722 1.00 0.00 C ATOM 777 O LYS A 54 -3.877 14.090 7.820 1.00 0.00 O ATOM 778 CB LYS A 54 -3.390 15.148 4.719 1.00 0.00 C ATOM 779 CG LYS A 54 -3.626 16.057 3.526 1.00 0.00 C ATOM 780 CD LYS A 54 -2.850 15.590 2.306 1.00 0.00 C ATOM 781 CE LYS A 54 -2.858 16.639 1.204 1.00 0.00 C ATOM 782 NZ LYS A 54 -2.321 16.102 -0.077 1.00 0.00 N ATOM 0 HA LYS A 54 -5.421 15.406 5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.402 15.352 5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.387 14.112 4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.690 16.084 3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.330 17.075 3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.822 15.368 2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.284 14.663 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.876 16.996 1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.263 17.498 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.343 16.847 -0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.341 15.785 0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.904 15.299 -0.388 1.00 0.00 H new ATOM 796 N VAL A 55 -5.057 13.000 6.244 1.00 0.00 N ATOM 797 CA VAL A 55 -5.125 11.755 7.001 1.00 0.00 C ATOM 798 C VAL A 55 -4.916 10.548 6.093 1.00 0.00 C ATOM 799 O VAL A 55 -5.452 10.472 4.987 1.00 0.00 O ATOM 800 CB VAL A 55 -6.478 11.611 7.724 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.641 12.700 8.773 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.623 11.647 6.724 1.00 0.00 C ATOM 0 H VAL A 55 -5.522 12.968 5.337 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.327 11.791 7.743 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.499 10.646 8.230 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.602 12.582 9.273 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.838 12.622 9.506 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.599 13.677 8.292 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.571 11.544 7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.608 12.596 6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.512 10.827 6.014 1.00 0.00 H new ATOM 812 N PRO A 56 -4.119 9.580 6.569 1.00 0.00 N ATOM 813 CA PRO A 56 -3.822 8.358 5.817 1.00 0.00 C ATOM 814 C PRO A 56 -5.033 7.439 5.701 1.00 0.00 C ATOM 815 O PRO A 56 -5.473 6.849 6.688 1.00 0.00 O ATOM 816 CB PRO A 56 -2.721 7.691 6.645 1.00 0.00 C ATOM 817 CG PRO A 56 -2.926 8.202 8.029 1.00 0.00 C ATOM 818 CD PRO A 56 -3.448 9.605 7.880 1.00 0.00 C ATOM 0 HA PRO A 56 -3.530 8.573 4.789 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.801 6.605 6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.731 7.951 6.270 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.634 7.578 8.574 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.992 8.191 8.591 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.140 9.864 8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.642 10.339 7.906 1.00 0.00 H new ATOM 826 N HIS A 57 -5.567 7.321 4.490 1.00 0.00 N ATOM 827 CA HIS A 57 -6.728 6.472 4.246 1.00 0.00 C ATOM 828 C HIS A 57 -6.299 5.097 3.744 1.00 0.00 C ATOM 829 O HIS A 57 -5.693 4.975 2.679 1.00 0.00 O ATOM 830 CB HIS A 57 -7.663 7.130 3.230 1.00 0.00 C ATOM 831 CG HIS A 57 -8.453 8.270 3.794 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.580 8.779 3.184 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.276 8.999 4.921 1.00 0.00 C ATOM 834 CE1 HIS A 57 -10.060 9.773 3.909 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.287 9.926 4.969 1.00 0.00 N ATOM 0 H HIS A 57 -5.215 7.802 3.662 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.260 6.346 5.189 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.074 7.489 2.386 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.351 6.379 2.842 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -9.981 8.441 2.309 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.486 8.874 5.647 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.935 10.361 3.675 1.00 0.00 H new ATOM 843 N TRP A 58 -6.616 4.065 4.518 1.00 0.00 N ATOM 844 CA TRP A 58 -6.262 2.698 4.151 1.00 0.00 C ATOM 845 C TRP A 58 -7.374 2.048 3.336 1.00 0.00 C ATOM 846 O TRP A 58 -8.542 2.079 3.726 1.00 0.00 O ATOM 847 CB TRP A 58 -5.980 1.869 5.406 1.00 0.00 C ATOM 848 CG TRP A 58 -4.861 2.415 6.239 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.975 3.196 7.354 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.459 2.222 6.024 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.728 3.501 7.844 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.781 2.914 7.047 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.710 1.531 5.068 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.392 2.935 7.137 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.331 1.552 5.159 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.683 2.249 6.188 1.00 0.00 C ATOM 0 H TRP A 58 -7.117 4.148 5.403 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.362 2.734 3.537 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.885 1.821 6.012 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.739 0.848 5.112 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.908 3.525 7.787 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.538 4.072 8.668 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -3.200 0.990 4.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.891 3.474 7.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.743 1.022 4.425 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.396 2.245 6.233 1.00 0.00 H new ATOM 867 N TYR A 59 -7.005 1.460 2.204 1.00 0.00 N ATOM 868 CA TYR A 59 -7.973 0.803 1.333 1.00 0.00 C ATOM 869 C TYR A 59 -7.514 -0.606 0.973 1.00 0.00 C ATOM 870 O TYR A 59 -6.342 -0.832 0.671 1.00 0.00 O ATOM 871 CB TYR A 59 -8.183 1.624 0.060 1.00 0.00 C ATOM 872 CG TYR A 59 -8.958 2.903 0.284 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.348 2.904 0.295 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.300 4.110 0.488 1.00 0.00 C ATOM 875 CE1 TYR A 59 -11.059 4.071 0.499 1.00 0.00 C ATOM 876 CE2 TYR A 59 -9.004 5.281 0.694 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.383 5.256 0.699 1.00 0.00 C ATOM 878 OH TYR A 59 -11.088 6.420 0.904 1.00 0.00 O ATOM 0 H TYR A 59 -6.043 1.425 1.868 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.918 0.731 1.871 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.211 1.869 -0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.710 1.013 -0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.881 1.977 0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.220 4.133 0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.139 4.055 0.502 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.477 6.211 0.850 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.021 6.205 1.114 1.00 0.00 H new ATOM 888 N HIS A 60 -8.448 -1.552 1.006 1.00 0.00 N ATOM 889 CA HIS A 60 -8.141 -2.941 0.683 1.00 0.00 C ATOM 890 C HIS A 60 -7.576 -3.057 -0.730 1.00 0.00 C ATOM 891 O HIS A 60 -8.045 -2.391 -1.654 1.00 0.00 O ATOM 892 CB HIS A 60 -9.394 -3.807 0.816 1.00 0.00 C ATOM 893 CG HIS A 60 -9.816 -4.034 2.235 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.914 -3.422 2.801 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.282 -4.815 3.203 1.00 0.00 C ATOM 896 CE1 HIS A 60 -11.036 -3.814 4.057 1.00 0.00 C ATOM 897 NE2 HIS A 60 -10.058 -4.660 4.326 1.00 0.00 N ATOM 0 H HIS A 60 -9.423 -1.382 1.253 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.388 -3.294 1.388 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.212 -3.334 0.273 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.212 -4.771 0.341 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.408 -5.443 3.110 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.805 -3.497 4.746 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.904 -5.123 5.222 1.00 0.00 H new ATOM 905 N PHE A 61 -6.566 -3.906 -0.890 1.00 0.00 N ATOM 906 CA PHE A 61 -5.936 -4.108 -2.190 1.00 0.00 C ATOM 907 C PHE A 61 -6.951 -3.944 -3.318 1.00 0.00 C ATOM 908 O PHE A 61 -6.649 -3.359 -4.358 1.00 0.00 O ATOM 909 CB PHE A 61 -5.299 -5.497 -2.261 1.00 0.00 C ATOM 910 CG PHE A 61 -4.454 -5.707 -3.484 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.364 -4.890 -3.738 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.749 -6.721 -4.381 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.584 -5.081 -4.863 1.00 0.00 C ATOM 914 CE2 PHE A 61 -3.973 -6.917 -5.507 1.00 0.00 C ATOM 915 CZ PHE A 61 -2.889 -6.095 -5.749 1.00 0.00 C ATOM 0 H PHE A 61 -6.166 -4.465 -0.136 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.160 -3.353 -2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.685 -5.652 -1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.086 -6.251 -2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.121 -4.095 -3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.596 -7.366 -4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.737 -4.438 -5.049 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.213 -7.712 -6.197 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.282 -6.245 -6.629 1.00 0.00 H new ATOM 925 N SER A 62 -8.155 -4.463 -3.103 1.00 0.00 N ATOM 926 CA SER A 62 -9.214 -4.379 -4.102 1.00 0.00 C ATOM 927 C SER A 62 -9.960 -3.053 -3.992 1.00 0.00 C ATOM 928 O SER A 62 -10.117 -2.331 -4.977 1.00 0.00 O ATOM 929 CB SER A 62 -10.193 -5.543 -3.939 1.00 0.00 C ATOM 930 OG SER A 62 -10.816 -5.511 -2.667 1.00 0.00 O ATOM 0 H SER A 62 -8.422 -4.946 -2.245 1.00 0.00 H new ATOM 0 HA SER A 62 -8.754 -4.437 -5.088 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.952 -5.496 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.664 -6.488 -4.065 1.00 0.00 H new ATOM 0 HG SER A 62 -11.438 -6.264 -2.588 1.00 0.00 H new ATOM 936 N CYS A 63 -10.418 -2.738 -2.785 1.00 0.00 N ATOM 937 CA CYS A 63 -11.149 -1.499 -2.543 1.00 0.00 C ATOM 938 C CYS A 63 -10.471 -0.323 -3.240 1.00 0.00 C ATOM 939 O CYS A 63 -11.136 0.528 -3.832 1.00 0.00 O ATOM 940 CB CYS A 63 -11.249 -1.227 -1.040 1.00 0.00 C ATOM 941 SG CYS A 63 -12.618 -2.101 -0.216 1.00 0.00 S ATOM 0 H CYS A 63 -10.296 -3.324 -1.959 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.153 -1.612 -2.953 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.311 -1.515 -0.566 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.369 -0.155 -0.883 1.00 0.00 H new ATOM 0 HG CYS A 63 -12.183 -2.658 0.875 1.00 0.00 H new ATOM 946 N PHE A 64 -9.145 -0.282 -3.165 1.00 0.00 N ATOM 947 CA PHE A 64 -8.377 0.790 -3.788 1.00 0.00 C ATOM 948 C PHE A 64 -8.710 0.906 -5.273 1.00 0.00 C ATOM 949 O PHE A 64 -8.752 2.004 -5.826 1.00 0.00 O ATOM 950 CB PHE A 64 -6.878 0.542 -3.608 1.00 0.00 C ATOM 951 CG PHE A 64 -6.024 1.703 -4.033 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.936 2.063 -5.368 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.310 2.433 -3.097 1.00 0.00 C ATOM 954 CE1 PHE A 64 -5.150 3.130 -5.761 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.522 3.501 -3.484 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.444 3.851 -4.818 1.00 0.00 C ATOM 0 H PHE A 64 -8.580 -0.978 -2.679 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.645 1.727 -3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.678 0.318 -2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.592 -0.339 -4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.487 1.504 -6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.370 2.165 -2.053 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.088 3.400 -6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.968 4.061 -2.745 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.832 4.687 -5.123 1.00 0.00 H new ATOM 966 N TRP A 65 -8.946 -0.235 -5.910 1.00 0.00 N ATOM 967 CA TRP A 65 -9.275 -0.262 -7.331 1.00 0.00 C ATOM 968 C TRP A 65 -10.779 -0.135 -7.544 1.00 0.00 C ATOM 969 O TRP A 65 -11.278 -0.324 -8.654 1.00 0.00 O ATOM 970 CB TRP A 65 -8.765 -1.556 -7.969 1.00 0.00 C ATOM 971 CG TRP A 65 -7.328 -1.847 -7.655 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.844 -2.900 -6.933 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.191 -1.073 -8.051 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.474 -2.828 -6.856 1.00 0.00 N ATOM 975 CE2 TRP A 65 -5.049 -1.716 -7.535 1.00 0.00 C ATOM 976 CE3 TRP A 65 -6.025 0.100 -8.793 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.762 -1.225 -7.737 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.747 0.587 -8.993 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.629 -0.075 -8.467 1.00 0.00 C ATOM 0 H TRP A 65 -8.916 -1.153 -5.466 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.786 0.588 -7.808 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.380 -2.388 -7.627 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.888 -1.492 -9.050 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.449 -3.676 -6.488 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.871 -3.494 -6.372 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.880 0.617 -9.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.899 -1.733 -7.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.607 1.493 -9.564 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.643 0.330 -8.641 1.00 0.00 H new ATOM 990 N LYS A 66 -11.499 0.187 -6.475 1.00 0.00 N ATOM 991 CA LYS A 66 -12.947 0.341 -6.544 1.00 0.00 C ATOM 992 C LYS A 66 -13.334 1.814 -6.630 1.00 0.00 C ATOM 993 O LYS A 66 -14.184 2.197 -7.434 1.00 0.00 O ATOM 994 CB LYS A 66 -13.608 -0.300 -5.322 1.00 0.00 C ATOM 995 CG LYS A 66 -13.307 -1.782 -5.175 1.00 0.00 C ATOM 996 CD LYS A 66 -14.011 -2.603 -6.242 1.00 0.00 C ATOM 997 CE LYS A 66 -13.472 -4.024 -6.298 1.00 0.00 C ATOM 998 NZ LYS A 66 -14.459 -4.968 -6.892 1.00 0.00 N ATOM 0 H LYS A 66 -11.102 0.347 -5.549 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.298 -0.162 -7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.275 0.221 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.687 -0.162 -5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.231 -1.944 -5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.620 -2.122 -4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.081 -2.627 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.883 -2.126 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.554 -4.041 -6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.213 -4.354 -5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.054 -5.926 -6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.326 -4.971 -6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.687 -4.668 -7.861 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.703 2.636 -5.797 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.979 4.068 -5.781 1.00 0.00 C ATOM 1014 C VAL A 67 -12.800 4.678 -7.167 1.00 0.00 C ATOM 1015 O VAL A 67 -13.638 5.451 -7.629 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.063 4.805 -4.786 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.494 4.523 -3.355 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.611 4.407 -5.003 1.00 0.00 C ATOM 0 H VAL A 67 -11.997 2.335 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.016 4.187 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.152 5.877 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.836 5.052 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.519 4.863 -3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.436 3.452 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.978 4.937 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.502 3.333 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.311 4.666 -6.018 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.701 4.324 -7.826 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.432 4.845 -9.154 1.00 0.00 C ATOM 1030 C GLY A 68 -10.182 5.701 -9.198 1.00 0.00 C ATOM 1031 O GLY A 68 -10.173 6.769 -9.811 1.00 0.00 O ATOM 0 H GLY A 68 -10.992 3.686 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.325 4.015 -9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.285 5.435 -9.489 1.00 0.00 H new ATOM 1035 N HIS A 69 -9.123 5.233 -8.545 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.861 5.964 -8.511 1.00 0.00 C ATOM 1037 C HIS A 69 -7.016 5.646 -9.741 1.00 0.00 C ATOM 1038 O HIS A 69 -7.123 4.563 -10.317 1.00 0.00 O ATOM 1039 CB HIS A 69 -7.082 5.621 -7.241 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.398 6.518 -6.084 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.309 7.893 -6.152 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -7.806 6.230 -4.826 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -7.647 8.411 -4.984 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -7.953 7.424 -4.163 1.00 0.00 N ATOM 0 H HIS A 69 -9.114 4.351 -8.032 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.087 7.030 -8.512 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.297 4.590 -6.960 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.014 5.678 -7.453 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -7.027 8.426 -6.974 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -7.983 5.245 -4.419 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.669 9.463 -4.742 1.00 0.00 H new ATOM 1052 N SER A 70 -6.178 6.598 -10.139 1.00 0.00 N ATOM 1053 CA SER A 70 -5.318 6.421 -11.304 1.00 0.00 C ATOM 1054 C SER A 70 -3.846 6.465 -10.904 1.00 0.00 C ATOM 1055 O SER A 70 -3.367 7.465 -10.370 1.00 0.00 O ATOM 1056 CB SER A 70 -5.608 7.502 -12.347 1.00 0.00 C ATOM 1057 OG SER A 70 -6.978 7.509 -12.706 1.00 0.00 O ATOM 0 H SER A 70 -6.076 7.499 -9.672 1.00 0.00 H new ATOM 0 HA SER A 70 -5.530 5.443 -11.737 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.327 8.478 -11.951 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.997 7.330 -13.233 1.00 0.00 H new ATOM 0 HG SER A 70 -7.138 8.210 -13.372 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.135 5.374 -11.168 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.718 5.288 -10.837 1.00 0.00 C ATOM 1065 C ILE A 71 -0.895 4.873 -12.051 1.00 0.00 C ATOM 1066 O ILE A 71 -0.970 3.730 -12.504 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.467 4.287 -9.693 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -2.165 4.754 -8.415 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.027 4.117 -9.457 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -2.304 3.668 -7.371 1.00 0.00 C ATOM 0 H ILE A 71 -3.517 4.538 -11.610 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.408 6.282 -10.513 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.882 3.320 -9.978 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.606 5.587 -7.989 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.155 5.132 -8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.189 3.407 -8.646 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.499 3.743 -10.366 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.465 5.079 -9.190 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.808 4.070 -6.492 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.889 2.844 -7.779 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.315 3.306 -7.088 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.107 5.807 -12.572 1.00 0.00 N ATOM 1083 CA ARG A 72 0.732 5.539 -13.734 1.00 0.00 C ATOM 1084 C ARG A 72 1.890 4.616 -13.367 1.00 0.00 C ATOM 1085 O ARG A 72 1.897 3.437 -13.725 1.00 0.00 O ATOM 1086 CB ARG A 72 1.273 6.847 -14.313 1.00 0.00 C ATOM 1087 CG ARG A 72 0.188 7.789 -14.809 1.00 0.00 C ATOM 1088 CD ARG A 72 0.727 8.765 -15.842 1.00 0.00 C ATOM 1089 NE ARG A 72 -0.344 9.407 -16.599 1.00 0.00 N ATOM 1090 CZ ARG A 72 -1.072 8.782 -17.518 1.00 0.00 C ATOM 1091 NH1 ARG A 72 -0.844 7.504 -17.792 1.00 0.00 N ATOM 1092 NH2 ARG A 72 -2.029 9.434 -18.166 1.00 0.00 N ATOM 0 H ARG A 72 -0.032 6.757 -12.208 1.00 0.00 H new ATOM 0 HA ARG A 72 0.118 5.043 -14.486 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.863 7.355 -13.550 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.948 6.618 -15.138 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.627 7.210 -15.244 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.228 8.342 -13.967 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.325 9.527 -15.343 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.390 8.238 -16.528 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.544 10.389 -16.412 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.109 7.000 -17.297 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.404 7.026 -18.498 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.207 10.417 -17.959 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.587 8.952 -18.871 1.00 0.00 H new ATOM 1106 N HIS A 73 2.869 5.159 -12.650 1.00 0.00 N ATOM 1107 CA HIS A 73 4.033 4.384 -12.234 1.00 0.00 C ATOM 1108 C HIS A 73 4.052 4.205 -10.719 1.00 0.00 C ATOM 1109 O HIS A 73 4.547 5.052 -9.975 1.00 0.00 O ATOM 1110 CB HIS A 73 5.319 5.070 -12.694 1.00 0.00 C ATOM 1111 CG HIS A 73 5.290 5.495 -14.130 1.00 0.00 C ATOM 1112 ND1 HIS A 73 5.917 6.634 -14.590 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.707 4.926 -15.211 1.00 0.00 C ATOM 1114 CE1 HIS A 73 5.718 6.748 -15.892 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.987 5.723 -16.293 1.00 0.00 N ATOM 0 H HIS A 73 2.880 6.132 -12.345 1.00 0.00 H new ATOM 0 HA HIS A 73 3.969 3.400 -12.698 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.499 5.944 -12.068 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.158 4.391 -12.541 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.129 4.014 -15.220 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.090 7.544 -16.521 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.681 5.552 -17.251 1.00 0.00 H new ATOM 1123 N PRO A 74 3.501 3.076 -10.249 1.00 0.00 N ATOM 1124 CA PRO A 74 3.443 2.759 -8.818 1.00 0.00 C ATOM 1125 C PRO A 74 4.817 2.446 -8.238 1.00 0.00 C ATOM 1126 O PRO A 74 4.961 2.244 -7.032 1.00 0.00 O ATOM 1127 CB PRO A 74 2.545 1.521 -8.766 1.00 0.00 C ATOM 1128 CG PRO A 74 2.690 0.890 -10.108 1.00 0.00 C ATOM 1129 CD PRO A 74 2.893 2.022 -11.077 1.00 0.00 C ATOM 0 HA PRO A 74 3.071 3.597 -8.229 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.855 0.840 -7.973 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.508 1.792 -8.566 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.536 0.203 -10.127 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.803 0.310 -10.365 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.545 1.733 -11.902 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.950 2.349 -11.515 1.00 0.00 H new ATOM 1137 N ASP A 75 5.825 2.407 -9.102 1.00 0.00 N ATOM 1138 CA ASP A 75 7.189 2.120 -8.675 1.00 0.00 C ATOM 1139 C ASP A 75 7.810 3.332 -7.987 1.00 0.00 C ATOM 1140 O ASP A 75 8.569 3.193 -7.028 1.00 0.00 O ATOM 1141 CB ASP A 75 8.045 1.703 -9.872 1.00 0.00 C ATOM 1142 CG ASP A 75 9.290 0.945 -9.458 1.00 0.00 C ATOM 1143 OD1 ASP A 75 9.233 0.221 -8.442 1.00 0.00 O ATOM 1144 OD2 ASP A 75 10.322 1.075 -10.149 1.00 0.00 O ATOM 0 H ASP A 75 5.723 2.571 -10.104 1.00 0.00 H new ATOM 0 HA ASP A 75 7.154 1.298 -7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.450 1.081 -10.541 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.334 2.591 -10.435 1.00 0.00 H new ATOM 1149 N VAL A 76 7.483 4.520 -8.484 1.00 0.00 N ATOM 1150 CA VAL A 76 8.008 5.757 -7.918 1.00 0.00 C ATOM 1151 C VAL A 76 6.898 6.581 -7.274 1.00 0.00 C ATOM 1152 O VAL A 76 7.114 7.245 -6.261 1.00 0.00 O ATOM 1153 CB VAL A 76 8.710 6.611 -8.990 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.938 5.891 -9.527 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.746 6.950 -10.117 1.00 0.00 C ATOM 0 H VAL A 76 6.857 4.652 -9.278 1.00 0.00 H new ATOM 0 HA VAL A 76 8.735 5.474 -7.157 1.00 0.00 H new ATOM 0 HB VAL A 76 9.037 7.543 -8.530 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.421 6.510 -10.283 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.636 5.704 -8.711 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.638 4.942 -9.972 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.259 7.554 -10.865 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.386 6.030 -10.577 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.901 7.510 -9.717 1.00 0.00 H new ATOM 1165 N GLU A 77 5.711 6.532 -7.870 1.00 0.00 N ATOM 1166 CA GLU A 77 4.567 7.275 -7.353 1.00 0.00 C ATOM 1167 C GLU A 77 4.083 6.681 -6.034 1.00 0.00 C ATOM 1168 O GLU A 77 3.841 7.402 -5.066 1.00 0.00 O ATOM 1169 CB GLU A 77 3.428 7.276 -8.374 1.00 0.00 C ATOM 1170 CG GLU A 77 3.754 8.033 -9.650 1.00 0.00 C ATOM 1171 CD GLU A 77 2.523 8.626 -10.308 1.00 0.00 C ATOM 1172 OE1 GLU A 77 2.126 9.745 -9.921 1.00 0.00 O ATOM 1173 OE2 GLU A 77 1.957 7.971 -11.208 1.00 0.00 O ATOM 0 H GLU A 77 5.516 5.987 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 77 4.885 8.302 -7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.177 6.246 -8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.542 7.716 -7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.461 8.832 -9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.247 7.360 -10.351 1.00 0.00 H new ATOM 1180 N VAL A 78 3.943 5.359 -6.003 1.00 0.00 N ATOM 1181 CA VAL A 78 3.488 4.666 -4.804 1.00 0.00 C ATOM 1182 C VAL A 78 4.667 4.154 -3.984 1.00 0.00 C ATOM 1183 O VAL A 78 5.593 3.546 -4.522 1.00 0.00 O ATOM 1184 CB VAL A 78 2.568 3.482 -5.155 1.00 0.00 C ATOM 1185 CG1 VAL A 78 2.190 2.709 -3.900 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.326 3.970 -5.885 1.00 0.00 C ATOM 0 H VAL A 78 4.138 4.747 -6.795 1.00 0.00 H new ATOM 0 HA VAL A 78 2.926 5.390 -4.214 1.00 0.00 H new ATOM 0 HB VAL A 78 3.110 2.808 -5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.540 1.876 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.092 2.326 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.667 3.370 -3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.688 3.120 -6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.780 4.666 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.620 4.475 -6.805 1.00 0.00 H new ATOM 1196 N ASP A 79 4.627 4.404 -2.680 1.00 0.00 N ATOM 1197 CA ASP A 79 5.692 3.967 -1.785 1.00 0.00 C ATOM 1198 C ASP A 79 5.518 2.499 -1.409 1.00 0.00 C ATOM 1199 O ASP A 79 4.429 1.940 -1.536 1.00 0.00 O ATOM 1200 CB ASP A 79 5.712 4.830 -0.523 1.00 0.00 C ATOM 1201 CG ASP A 79 7.023 4.722 0.232 1.00 0.00 C ATOM 1202 OD1 ASP A 79 8.080 4.628 -0.426 1.00 0.00 O ATOM 1203 OD2 ASP A 79 6.991 4.733 1.480 1.00 0.00 O ATOM 0 H ASP A 79 3.869 4.907 -2.219 1.00 0.00 H new ATOM 0 HA ASP A 79 6.642 4.079 -2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.538 5.871 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.893 4.530 0.131 1.00 0.00 H new ATOM 1208 N GLY A 80 6.599 1.879 -0.947 1.00 0.00 N ATOM 1209 CA GLY A 80 6.545 0.481 -0.562 1.00 0.00 C ATOM 1210 C GLY A 80 6.606 -0.453 -1.754 1.00 0.00 C ATOM 1211 O GLY A 80 7.291 -1.475 -1.717 1.00 0.00 O ATOM 0 H GLY A 80 7.512 2.320 -0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.374 0.261 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.626 0.296 -0.006 1.00 0.00 H new ATOM 1215 N PHE A 81 5.887 -0.102 -2.816 1.00 0.00 N ATOM 1216 CA PHE A 81 5.860 -0.917 -4.024 1.00 0.00 C ATOM 1217 C PHE A 81 7.213 -1.582 -4.262 1.00 0.00 C ATOM 1218 O PHE A 81 7.304 -2.804 -4.378 1.00 0.00 O ATOM 1219 CB PHE A 81 5.481 -0.061 -5.234 1.00 0.00 C ATOM 1220 CG PHE A 81 5.586 -0.792 -6.542 1.00 0.00 C ATOM 1221 CD1 PHE A 81 6.803 -0.896 -7.197 1.00 0.00 C ATOM 1222 CD2 PHE A 81 4.468 -1.374 -7.118 1.00 0.00 C ATOM 1223 CE1 PHE A 81 6.903 -1.569 -8.400 1.00 0.00 C ATOM 1224 CE2 PHE A 81 4.562 -2.047 -8.321 1.00 0.00 C ATOM 1225 CZ PHE A 81 5.781 -2.144 -8.964 1.00 0.00 C ATOM 0 H PHE A 81 5.316 0.742 -2.864 1.00 0.00 H new ATOM 0 HA PHE A 81 5.110 -1.696 -3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.460 0.299 -5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.127 0.817 -5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.683 -0.446 -6.762 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.512 -1.301 -6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.858 -1.645 -8.899 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.683 -2.497 -8.758 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.856 -2.668 -9.905 1.00 0.00 H new ATOM 1235 N SER A 82 8.262 -0.768 -4.333 1.00 0.00 N ATOM 1236 CA SER A 82 9.609 -1.276 -4.561 1.00 0.00 C ATOM 1237 C SER A 82 10.024 -2.235 -3.449 1.00 0.00 C ATOM 1238 O SER A 82 10.631 -3.274 -3.706 1.00 0.00 O ATOM 1239 CB SER A 82 10.605 -0.118 -4.650 1.00 0.00 C ATOM 1240 OG SER A 82 11.940 -0.593 -4.655 1.00 0.00 O ATOM 0 H SER A 82 8.204 0.246 -4.236 1.00 0.00 H new ATOM 0 HA SER A 82 9.610 -1.821 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.417 0.458 -5.556 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.459 0.557 -3.807 1.00 0.00 H new ATOM 0 HG SER A 82 12.557 0.166 -4.714 1.00 0.00 H new ATOM 1246 N GLU A 83 9.692 -1.876 -2.213 1.00 0.00 N ATOM 1247 CA GLU A 83 10.031 -2.704 -1.061 1.00 0.00 C ATOM 1248 C GLU A 83 9.360 -4.071 -1.158 1.00 0.00 C ATOM 1249 O GLU A 83 9.969 -5.097 -0.851 1.00 0.00 O ATOM 1250 CB GLU A 83 9.611 -2.009 0.236 1.00 0.00 C ATOM 1251 CG GLU A 83 10.451 -0.788 0.571 1.00 0.00 C ATOM 1252 CD GLU A 83 10.188 -0.265 1.970 1.00 0.00 C ATOM 1253 OE1 GLU A 83 9.046 0.165 2.236 1.00 0.00 O ATOM 1254 OE2 GLU A 83 11.123 -0.286 2.797 1.00 0.00 O ATOM 0 H GLU A 83 9.189 -1.019 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 83 11.111 -2.848 -1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.566 -1.710 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.677 -2.722 1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.507 -1.040 0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.244 0.000 -0.153 1.00 0.00 H new ATOM 1261 N LEU A 84 8.103 -4.078 -1.586 1.00 0.00 N ATOM 1262 CA LEU A 84 7.348 -5.319 -1.723 1.00 0.00 C ATOM 1263 C LEU A 84 8.174 -6.383 -2.439 1.00 0.00 C ATOM 1264 O LEU A 84 9.179 -6.075 -3.080 1.00 0.00 O ATOM 1265 CB LEU A 84 6.048 -5.066 -2.488 1.00 0.00 C ATOM 1266 CG LEU A 84 5.073 -4.077 -1.847 1.00 0.00 C ATOM 1267 CD1 LEU A 84 3.893 -3.816 -2.771 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.593 -4.598 -0.501 1.00 0.00 C ATOM 0 H LEU A 84 7.585 -3.238 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 84 7.109 -5.683 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.301 -4.702 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.535 -6.019 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 84 5.596 -3.135 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.210 -3.110 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.253 -3.399 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.370 -4.752 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.900 -3.882 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.087 -5.553 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.447 -4.733 0.163 1.00 0.00 H new ATOM 1280 N ARG A 85 7.742 -7.634 -2.327 1.00 0.00 N ATOM 1281 CA ARG A 85 8.441 -8.744 -2.965 1.00 0.00 C ATOM 1282 C ARG A 85 8.116 -8.807 -4.454 1.00 0.00 C ATOM 1283 O ARG A 85 7.084 -8.302 -4.896 1.00 0.00 O ATOM 1284 CB ARG A 85 8.064 -10.065 -2.293 1.00 0.00 C ATOM 1285 CG ARG A 85 8.682 -10.248 -0.917 1.00 0.00 C ATOM 1286 CD ARG A 85 8.057 -9.309 0.103 1.00 0.00 C ATOM 1287 NE ARG A 85 8.633 -9.485 1.434 1.00 0.00 N ATOM 1288 CZ ARG A 85 8.404 -10.547 2.199 1.00 0.00 C ATOM 1289 NH1 ARG A 85 7.617 -11.522 1.766 1.00 0.00 N ATOM 1290 NH2 ARG A 85 8.964 -10.635 3.398 1.00 0.00 N ATOM 0 H ARG A 85 6.911 -7.905 -1.801 1.00 0.00 H new ATOM 0 HA ARG A 85 9.513 -8.579 -2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.979 -10.121 -2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.375 -10.890 -2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.550 -11.280 -0.592 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.755 -10.066 -0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.198 -8.277 -0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.982 -9.485 0.147 1.00 0.00 H new ATOM 0 HE ARG A 85 9.244 -8.753 1.796 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.186 -11.458 0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.443 -12.336 2.355 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.571 -9.887 3.734 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.788 -11.451 3.985 1.00 0.00 H new ATOM 1304 N TRP A 86 9.004 -9.429 -5.222 1.00 0.00 N ATOM 1305 CA TRP A 86 8.811 -9.557 -6.662 1.00 0.00 C ATOM 1306 C TRP A 86 7.349 -9.834 -6.994 1.00 0.00 C ATOM 1307 O TRP A 86 6.713 -9.072 -7.721 1.00 0.00 O ATOM 1308 CB TRP A 86 9.694 -10.676 -7.217 1.00 0.00 C ATOM 1309 CG TRP A 86 9.262 -11.158 -8.569 1.00 0.00 C ATOM 1310 CD1 TRP A 86 9.673 -10.677 -9.780 1.00 0.00 C ATOM 1311 CD2 TRP A 86 8.336 -12.213 -8.848 1.00 0.00 C ATOM 1312 NE1 TRP A 86 9.057 -11.370 -10.794 1.00 0.00 N ATOM 1313 CE2 TRP A 86 8.232 -12.318 -10.249 1.00 0.00 C ATOM 1314 CE3 TRP A 86 7.585 -13.081 -8.050 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 7.407 -13.255 -10.866 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 6.766 -14.009 -8.664 1.00 0.00 C ATOM 1317 CH2 TRP A 86 6.683 -14.091 -10.061 1.00 0.00 C ATOM 0 H TRP A 86 9.864 -9.852 -4.872 1.00 0.00 H new ATOM 0 HA TRP A 86 9.096 -8.613 -7.127 1.00 0.00 H new ATOM 0 HB2 TRP A 86 10.723 -10.321 -7.277 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.686 -11.515 -6.521 1.00 0.00 H new ATOM 0 HD1 TRP A 86 10.378 -9.871 -9.920 1.00 0.00 H new ATOM 0 HE1 TRP A 86 9.192 -11.205 -11.791 1.00 0.00 H new ATOM 0 HE3 TRP A 86 7.644 -13.027 -6.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 7.341 -13.319 -11.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 6.180 -14.683 -8.057 1.00 0.00 H new ATOM 0 HH2 TRP A 86 6.035 -14.829 -10.510 1.00 0.00 H new ATOM 1328 N ASP A 87 6.822 -10.929 -6.456 1.00 0.00 N ATOM 1329 CA ASP A 87 5.434 -11.305 -6.694 1.00 0.00 C ATOM 1330 C ASP A 87 4.521 -10.084 -6.631 1.00 0.00 C ATOM 1331 O ASP A 87 3.870 -9.732 -7.614 1.00 0.00 O ATOM 1332 CB ASP A 87 4.983 -12.348 -5.670 1.00 0.00 C ATOM 1333 CG ASP A 87 3.568 -12.831 -5.920 1.00 0.00 C ATOM 1334 OD1 ASP A 87 3.352 -13.540 -6.925 1.00 0.00 O ATOM 1335 OD2 ASP A 87 2.676 -12.499 -5.111 1.00 0.00 O ATOM 0 H ASP A 87 7.335 -11.571 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 87 5.366 -11.735 -7.693 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.664 -13.198 -5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.047 -11.921 -4.669 1.00 0.00 H new ATOM 1340 N ASP A 88 4.478 -9.445 -5.467 1.00 0.00 N ATOM 1341 CA ASP A 88 3.645 -8.263 -5.275 1.00 0.00 C ATOM 1342 C ASP A 88 3.984 -7.187 -6.301 1.00 0.00 C ATOM 1343 O ASP A 88 3.108 -6.701 -7.017 1.00 0.00 O ATOM 1344 CB ASP A 88 3.825 -7.711 -3.860 1.00 0.00 C ATOM 1345 CG ASP A 88 3.077 -8.524 -2.822 1.00 0.00 C ATOM 1346 OD1 ASP A 88 3.170 -9.768 -2.863 1.00 0.00 O ATOM 1347 OD2 ASP A 88 2.397 -7.916 -1.969 1.00 0.00 O ATOM 0 H ASP A 88 5.010 -9.725 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 88 2.604 -8.556 -5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.886 -7.697 -3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.477 -6.679 -3.829 1.00 0.00 H new ATOM 1352 N GLN A 89 5.259 -6.818 -6.366 1.00 0.00 N ATOM 1353 CA GLN A 89 5.712 -5.798 -7.304 1.00 0.00 C ATOM 1354 C GLN A 89 5.108 -6.021 -8.686 1.00 0.00 C ATOM 1355 O GLN A 89 4.620 -5.085 -9.319 1.00 0.00 O ATOM 1356 CB GLN A 89 7.239 -5.801 -7.395 1.00 0.00 C ATOM 1357 CG GLN A 89 7.927 -5.425 -6.092 1.00 0.00 C ATOM 1358 CD GLN A 89 9.434 -5.578 -6.163 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.956 -6.693 -6.194 1.00 0.00 O ATOM 1360 NE2 GLN A 89 10.143 -4.456 -6.189 1.00 0.00 N ATOM 0 H GLN A 89 5.996 -7.210 -5.780 1.00 0.00 H new ATOM 0 HA GLN A 89 5.379 -4.828 -6.935 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.575 -6.792 -7.701 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.550 -5.105 -8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.682 -4.393 -5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.540 -6.050 -5.287 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.670 -3.553 -6.162 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.161 -4.497 -6.236 1.00 0.00 H new ATOM 1369 N GLN A 90 5.145 -7.267 -9.148 1.00 0.00 N ATOM 1370 CA GLN A 90 4.602 -7.613 -10.456 1.00 0.00 C ATOM 1371 C GLN A 90 3.077 -7.588 -10.436 1.00 0.00 C ATOM 1372 O GLN A 90 2.441 -7.089 -11.365 1.00 0.00 O ATOM 1373 CB GLN A 90 5.096 -8.994 -10.888 1.00 0.00 C ATOM 1374 CG GLN A 90 6.611 -9.112 -10.933 1.00 0.00 C ATOM 1375 CD GLN A 90 7.223 -8.337 -12.084 1.00 0.00 C ATOM 1376 OE1 GLN A 90 6.604 -7.423 -12.630 1.00 0.00 O ATOM 1377 NE2 GLN A 90 8.444 -8.699 -12.459 1.00 0.00 N ATOM 0 H GLN A 90 5.545 -8.053 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 90 4.950 -6.870 -11.174 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.702 -9.743 -10.201 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.693 -9.223 -11.874 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.028 -8.749 -9.993 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.887 -10.163 -11.020 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.920 -9.462 -11.978 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.906 -8.214 -13.228 1.00 0.00 H new ATOM 1386 N LYS A 91 2.496 -8.131 -9.372 1.00 0.00 N ATOM 1387 CA LYS A 91 1.045 -8.171 -9.229 1.00 0.00 C ATOM 1388 C LYS A 91 0.454 -6.766 -9.277 1.00 0.00 C ATOM 1389 O LYS A 91 -0.329 -6.442 -10.169 1.00 0.00 O ATOM 1390 CB LYS A 91 0.660 -8.853 -7.914 1.00 0.00 C ATOM 1391 CG LYS A 91 -0.840 -8.963 -7.702 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.187 -9.092 -6.228 1.00 0.00 C ATOM 1393 CE LYS A 91 -1.033 -10.525 -5.743 1.00 0.00 C ATOM 1394 NZ LYS A 91 0.366 -10.825 -5.331 1.00 0.00 N ATOM 0 H LYS A 91 3.008 -8.550 -8.595 1.00 0.00 H new ATOM 0 HA LYS A 91 0.639 -8.745 -10.062 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.096 -9.852 -7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.096 -8.296 -7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.332 -8.084 -8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.222 -9.828 -8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.542 -8.437 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.212 -8.759 -6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.704 -10.697 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.333 -11.211 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.723 -11.635 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.966 -9.995 -5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.387 -11.055 -4.317 1.00 0.00 H new ATOM 1408 N VAL A 92 0.837 -5.935 -8.313 1.00 0.00 N ATOM 1409 CA VAL A 92 0.347 -4.563 -8.247 1.00 0.00 C ATOM 1410 C VAL A 92 0.334 -3.917 -9.628 1.00 0.00 C ATOM 1411 O VAL A 92 -0.662 -3.321 -10.039 1.00 0.00 O ATOM 1412 CB VAL A 92 1.205 -3.705 -7.299 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.758 -2.252 -7.341 1.00 0.00 C ATOM 1414 CG2 VAL A 92 1.139 -4.251 -5.881 1.00 0.00 C ATOM 0 H VAL A 92 1.485 -6.188 -7.567 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.671 -4.609 -7.861 1.00 0.00 H new ATOM 0 HB VAL A 92 2.241 -3.750 -7.634 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.376 -1.662 -6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.862 -1.868 -8.356 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.285 -2.183 -7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.751 -3.633 -5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.106 -4.237 -5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.513 -5.275 -5.868 1.00 0.00 H new ATOM 1424 N LYS A 93 1.448 -4.039 -10.342 1.00 0.00 N ATOM 1425 CA LYS A 93 1.567 -3.469 -11.679 1.00 0.00 C ATOM 1426 C LYS A 93 0.369 -3.853 -12.542 1.00 0.00 C ATOM 1427 O LYS A 93 -0.432 -3.000 -12.925 1.00 0.00 O ATOM 1428 CB LYS A 93 2.861 -3.943 -12.345 1.00 0.00 C ATOM 1429 CG LYS A 93 4.115 -3.349 -11.727 1.00 0.00 C ATOM 1430 CD LYS A 93 5.364 -4.084 -12.184 1.00 0.00 C ATOM 1431 CE LYS A 93 5.948 -3.462 -13.443 1.00 0.00 C ATOM 1432 NZ LYS A 93 6.825 -2.299 -13.133 1.00 0.00 N ATOM 0 H LYS A 93 2.282 -4.528 -10.017 1.00 0.00 H new ATOM 0 HA LYS A 93 1.591 -2.383 -11.583 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.915 -5.030 -12.283 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.831 -3.685 -13.404 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.192 -2.296 -11.998 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.042 -3.394 -10.640 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.109 -4.066 -11.389 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.123 -5.130 -12.372 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.520 -4.213 -13.987 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.138 -3.141 -14.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.203 -1.904 -14.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.273 -1.571 -12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.612 -2.609 -12.528 1.00 0.00 H new ATOM 1446 N LYS A 94 0.252 -5.141 -12.845 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.849 -5.639 -13.660 1.00 0.00 C ATOM 1448 C LYS A 94 -2.154 -4.936 -13.300 1.00 0.00 C ATOM 1449 O LYS A 94 -2.745 -4.239 -14.126 1.00 0.00 O ATOM 1450 CB LYS A 94 -1.004 -7.151 -13.477 1.00 0.00 C ATOM 1451 CG LYS A 94 -0.021 -7.967 -14.298 1.00 0.00 C ATOM 1452 CD LYS A 94 -0.216 -9.458 -14.080 1.00 0.00 C ATOM 1453 CE LYS A 94 0.505 -9.938 -12.830 1.00 0.00 C ATOM 1454 NZ LYS A 94 -0.024 -11.244 -12.350 1.00 0.00 N ATOM 0 H LYS A 94 0.907 -5.860 -12.538 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.619 -5.428 -14.704 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.875 -7.396 -12.423 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.019 -7.439 -13.749 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.146 -7.733 -15.355 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.998 -7.689 -14.029 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.280 -9.678 -13.995 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.154 -10.005 -14.947 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.570 -10.033 -13.040 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.400 -9.192 -12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.494 -11.536 -11.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.035 -11.148 -12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.099 -11.962 -13.092 1.00 0.00 H new ATOM 1468 N THR A 95 -2.599 -5.122 -12.061 1.00 0.00 N ATOM 1469 CA THR A 95 -3.833 -4.505 -11.592 1.00 0.00 C ATOM 1470 C THR A 95 -3.856 -3.013 -11.903 1.00 0.00 C ATOM 1471 O THR A 95 -4.801 -2.510 -12.510 1.00 0.00 O ATOM 1472 CB THR A 95 -4.020 -4.705 -10.076 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.993 -6.101 -9.759 1.00 0.00 O ATOM 1474 CG2 THR A 95 -5.334 -4.098 -9.608 1.00 0.00 C ATOM 0 H THR A 95 -2.123 -5.695 -11.364 1.00 0.00 H new ATOM 0 HA THR A 95 -4.651 -4.995 -12.120 1.00 0.00 H new ATOM 0 HB THR A 95 -3.202 -4.201 -9.562 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.111 -6.220 -8.793 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.444 -4.252 -8.534 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.339 -3.030 -9.824 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.162 -4.577 -10.130 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.808 -2.310 -11.484 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.707 -0.876 -11.721 1.00 0.00 C ATOM 1484 C ALA A 96 -2.964 -0.542 -13.187 1.00 0.00 C ATOM 1485 O ALA A 96 -3.817 0.286 -13.503 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.339 -0.366 -11.293 1.00 0.00 C ATOM 0 H ALA A 96 -2.018 -2.711 -10.979 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.471 -0.379 -11.123 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.277 0.707 -11.476 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.194 -0.562 -10.231 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.565 -0.877 -11.866 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.219 -1.191 -14.076 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.366 -0.960 -15.508 1.00 0.00 C ATOM 1494 C GLU A 97 -3.826 -1.091 -15.933 1.00 0.00 C ATOM 1495 O GLU A 97 -4.369 -0.215 -16.606 1.00 0.00 O ATOM 1496 CB GLU A 97 -1.504 -1.947 -16.298 1.00 0.00 C ATOM 1497 CG GLU A 97 -0.012 -1.776 -16.061 1.00 0.00 C ATOM 1498 CD GLU A 97 0.809 -2.880 -16.699 1.00 0.00 C ATOM 1499 OE1 GLU A 97 0.872 -3.983 -16.117 1.00 0.00 O ATOM 1500 OE2 GLU A 97 1.389 -2.641 -17.778 1.00 0.00 O ATOM 0 H GLU A 97 -1.508 -1.880 -13.830 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.032 0.055 -15.722 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.792 -2.964 -16.030 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.711 -1.827 -17.361 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.308 -0.813 -16.460 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.182 -1.757 -14.989 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.455 -2.192 -15.536 1.00 0.00 N ATOM 1508 CA ALA A 98 -5.852 -2.438 -15.874 1.00 0.00 C ATOM 1509 C ALA A 98 -6.725 -1.243 -15.503 1.00 0.00 C ATOM 1510 O ALA A 98 -7.601 -0.842 -16.267 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.350 -3.695 -15.176 1.00 0.00 C ATOM 0 H ALA A 98 -4.020 -2.928 -14.980 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.920 -2.583 -16.952 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.394 -3.867 -15.437 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.751 -4.549 -15.493 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.262 -3.571 -14.097 1.00 0.00 H new