USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 832 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 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 44 HIS : no HE2:sc= -1 K(o=-2.4,f=-3.5) USER MOD Set 2.2: A 60 MET CE :methyl -161:sc= -1.37 (180deg=-2.57!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.332 K(o=0.33,f=-3.2!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.529 K(o=-0.53,f=-2.8) USER MOD Single : A 53 CYS SG : rot -27:sc= -0.399 USER MOD Single : A 55 GLN : amide:sc= -1.54! C(o=-1.5!,f=-2.2!) USER MOD Single : A 56 MET CE :methyl -138:sc= -2.22! (180deg=-6.48!) USER MOD Single : A 57 ASN : amide:sc= -0.275 K(o=-0.27,f=-1.1) USER MOD Single : A 65 LYS NZ :NH3+ -132:sc= -3.47! (180deg=-5.49!) USER MOD Single : A 69 GLN : amide:sc= -0.793 K(o=-0.79,f=-3.8!) USER MOD Single : A 71 SER OG : rot -110:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -125:sc= 0.334 (180deg=-0.24) USER MOD Single : A 84 SER OG : rot 170:sc= 0.0461 USER MOD Single : A 90 SER OG : rot -57:sc= 0.58 USER MOD Single : A 91 SER OG : rot 33:sc= 0.698 USER MOD Single : A 94 THR OG1 : rot 104:sc= 1.01 USER MOD Single : A 99 LYS NZ :NH3+ 158:sc= 0.365 (180deg=-0.14) USER MOD Single : A 100 ASN : amide:sc= -0.618 K(o=-0.62,f=0.11) USER MOD Single : A 101 SER OG : rot -61:sc= 1.01 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.14) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -151:sc= -0.0283 (180deg=-1.03) USER MOD Single : A 118 LYS NZ :NH3+ -167:sc= -0.473 (180deg=-1.09) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 122 HIS : no HE2:sc= -2.96! C(o=-3!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 201 N VAL A 20 -1.570 2.914 -8.988 1.00 0.00 N ATOM 202 CA VAL A 20 -2.817 2.802 -8.240 1.00 0.00 C ATOM 203 C VAL A 20 -4.022 3.046 -9.142 1.00 0.00 C ATOM 204 O VAL A 20 -4.095 4.060 -9.835 1.00 0.00 O ATOM 205 CB VAL A 20 -2.858 3.798 -7.066 1.00 0.00 C ATOM 206 CG1 VAL A 20 -4.123 3.603 -6.244 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.619 3.646 -6.196 1.00 0.00 C ATOM 0 HA VAL A 20 -2.861 1.786 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.869 4.810 -7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.134 4.315 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.996 3.766 -6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.146 2.588 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.664 4.357 -5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.576 2.632 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.729 3.840 -6.794 1.00 0.00 H new ATOM 217 N GLU A 21 -4.966 2.110 -9.126 1.00 0.00 N ATOM 218 CA GLU A 21 -6.168 2.224 -9.942 1.00 0.00 C ATOM 219 C GLU A 21 -7.164 3.193 -9.312 1.00 0.00 C ATOM 220 O GLU A 21 -7.340 3.213 -8.094 1.00 0.00 O ATOM 221 CB GLU A 21 -6.820 0.852 -10.124 1.00 0.00 C ATOM 222 CG GLU A 21 -6.108 -0.032 -11.135 1.00 0.00 C ATOM 223 CD GLU A 21 -6.850 -1.327 -11.403 1.00 0.00 C ATOM 224 OE1 GLU A 21 -8.097 -1.318 -11.350 1.00 0.00 O ATOM 225 OE2 GLU A 21 -6.182 -2.349 -11.665 1.00 0.00 O ATOM 0 H GLU A 21 -4.921 1.265 -8.557 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.877 2.613 -10.918 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.846 0.341 -9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.854 0.990 -10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.990 0.515 -12.070 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.106 -0.260 -10.771 1.00 0.00 H new ATOM 232 N GLU A 22 -7.812 3.996 -10.151 1.00 0.00 N ATOM 233 CA GLU A 22 -8.789 4.968 -9.675 1.00 0.00 C ATOM 234 C GLU A 22 -10.209 4.434 -9.833 1.00 0.00 C ATOM 235 O GLU A 22 -10.652 4.131 -10.941 1.00 0.00 O ATOM 236 CB GLU A 22 -8.641 6.287 -10.437 1.00 0.00 C ATOM 237 CG GLU A 22 -9.123 7.498 -9.657 1.00 0.00 C ATOM 238 CD GLU A 22 -10.583 7.395 -9.263 1.00 0.00 C ATOM 239 OE1 GLU A 22 -11.445 7.431 -10.166 1.00 0.00 O ATOM 240 OE2 GLU A 22 -10.865 7.279 -8.052 1.00 0.00 O ATOM 0 H GLU A 22 -7.678 3.992 -11.162 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.602 5.145 -8.616 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.593 6.429 -10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.199 6.222 -11.371 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.516 7.612 -8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.975 8.395 -10.258 1.00 0.00 H new ATOM 247 N VAL A 23 -10.919 4.320 -8.715 1.00 0.00 N ATOM 248 CA VAL A 23 -12.290 3.823 -8.727 1.00 0.00 C ATOM 249 C VAL A 23 -13.257 4.889 -9.231 1.00 0.00 C ATOM 250 O VAL A 23 -13.382 5.959 -8.637 1.00 0.00 O ATOM 251 CB VAL A 23 -12.734 3.365 -7.325 1.00 0.00 C ATOM 252 CG1 VAL A 23 -14.127 2.757 -7.378 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.733 2.375 -6.747 1.00 0.00 C ATOM 0 H VAL A 23 -10.567 4.565 -7.789 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.310 2.969 -9.404 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.769 4.236 -6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.424 2.439 -6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.834 3.500 -7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.123 1.896 -8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.062 2.062 -5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.665 1.504 -7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.755 2.849 -6.671 1.00 0.00 H new ATOM 263 N GLY A 24 -13.940 4.588 -10.331 1.00 0.00 N ATOM 264 CA GLY A 24 -14.888 5.530 -10.897 1.00 0.00 C ATOM 265 C GLY A 24 -16.264 5.412 -10.273 1.00 0.00 C ATOM 266 O GLY A 24 -16.983 6.404 -10.149 1.00 0.00 O ATOM 0 H GLY A 24 -13.854 3.709 -10.840 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.515 6.545 -10.758 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.964 5.363 -11.971 1.00 0.00 H new ATOM 270 N SER A 25 -16.634 4.197 -9.882 1.00 0.00 N ATOM 271 CA SER A 25 -17.936 3.952 -9.273 1.00 0.00 C ATOM 272 C SER A 25 -17.935 2.638 -8.498 1.00 0.00 C ATOM 273 O SER A 25 -16.987 1.857 -8.580 1.00 0.00 O ATOM 274 CB SER A 25 -19.027 3.925 -10.345 1.00 0.00 C ATOM 275 OG SER A 25 -18.964 2.731 -11.107 1.00 0.00 O ATOM 0 H SER A 25 -16.050 3.366 -9.976 1.00 0.00 H new ATOM 0 HA SER A 25 -18.142 4.764 -8.576 1.00 0.00 H new ATOM 0 HB2 SER A 25 -20.006 4.008 -9.874 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.916 4.787 -11.003 1.00 0.00 H new ATOM 0 HG SER A 25 -19.672 2.737 -11.784 1.00 0.00 H new ATOM 281 N ALA A 26 -19.005 2.401 -7.746 1.00 0.00 N ATOM 282 CA ALA A 26 -19.130 1.181 -6.958 1.00 0.00 C ATOM 283 C ALA A 26 -18.847 -0.053 -7.808 1.00 0.00 C ATOM 284 O ALA A 26 -17.943 -0.832 -7.507 1.00 0.00 O ATOM 285 CB ALA A 26 -20.518 1.092 -6.341 1.00 0.00 C ATOM 0 H ALA A 26 -19.798 3.038 -7.666 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.390 1.217 -6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.598 0.176 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.684 1.953 -5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.268 1.083 -7.132 1.00 0.00 H new ATOM 291 N GLY A 27 -19.626 -0.225 -8.872 1.00 0.00 N ATOM 292 CA GLY A 27 -19.442 -1.367 -9.748 1.00 0.00 C ATOM 293 C GLY A 27 -17.981 -1.715 -9.950 1.00 0.00 C ATOM 294 O GLY A 27 -17.596 -2.880 -9.858 1.00 0.00 O ATOM 0 H GLY A 27 -20.381 0.406 -9.142 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.963 -2.229 -9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.899 -1.156 -10.715 1.00 0.00 H new ATOM 298 N GLN A 28 -17.166 -0.702 -10.226 1.00 0.00 N ATOM 299 CA GLN A 28 -15.739 -0.908 -10.444 1.00 0.00 C ATOM 300 C GLN A 28 -15.086 -1.534 -9.216 1.00 0.00 C ATOM 301 O GLN A 28 -14.321 -2.492 -9.328 1.00 0.00 O ATOM 302 CB GLN A 28 -15.056 0.419 -10.779 1.00 0.00 C ATOM 303 CG GLN A 28 -13.718 0.255 -11.481 1.00 0.00 C ATOM 304 CD GLN A 28 -13.206 1.554 -12.072 1.00 0.00 C ATOM 305 OE1 GLN A 28 -13.985 2.443 -12.417 1.00 0.00 O ATOM 306 NE2 GLN A 28 -11.888 1.671 -12.191 1.00 0.00 N ATOM 0 H GLN A 28 -17.469 0.269 -10.304 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.620 -1.592 -11.285 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.719 1.009 -11.412 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.907 0.984 -9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.985 -0.131 -10.772 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.816 -0.487 -12.274 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.279 0.909 -11.892 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.485 2.523 -12.581 1.00 0.00 H new ATOM 315 N PHE A 29 -15.393 -0.987 -8.045 1.00 0.00 N ATOM 316 CA PHE A 29 -14.834 -1.491 -6.796 1.00 0.00 C ATOM 317 C PHE A 29 -15.424 -2.855 -6.448 1.00 0.00 C ATOM 318 O PHE A 29 -14.703 -3.846 -6.345 1.00 0.00 O ATOM 319 CB PHE A 29 -15.099 -0.503 -5.658 1.00 0.00 C ATOM 320 CG PHE A 29 -14.732 -1.036 -4.303 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.434 -1.436 -4.030 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.685 -1.138 -3.302 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.092 -1.926 -2.784 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.349 -1.627 -2.054 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.052 -2.023 -1.795 1.00 0.00 C ATOM 0 H PHE A 29 -16.026 -0.195 -7.935 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.758 -1.602 -6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.537 0.412 -5.844 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.155 -0.234 -5.660 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.680 -1.364 -4.800 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.702 -0.832 -3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.076 -2.233 -2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.100 -1.699 -1.282 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.788 -2.408 -0.821 1.00 0.00 H new ATOM 335 N GLU A 30 -16.741 -2.894 -6.267 1.00 0.00 N ATOM 336 CA GLU A 30 -17.428 -4.136 -5.929 1.00 0.00 C ATOM 337 C GLU A 30 -16.972 -5.274 -6.837 1.00 0.00 C ATOM 338 O GLU A 30 -16.788 -6.405 -6.387 1.00 0.00 O ATOM 339 CB GLU A 30 -18.943 -3.953 -6.042 1.00 0.00 C ATOM 340 CG GLU A 30 -19.542 -3.125 -4.918 1.00 0.00 C ATOM 341 CD GLU A 30 -21.057 -3.182 -4.895 1.00 0.00 C ATOM 342 OE1 GLU A 30 -21.657 -3.455 -5.955 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.642 -2.954 -3.815 1.00 0.00 O ATOM 0 H GLU A 30 -17.352 -2.082 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.176 -4.393 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.173 -3.476 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.419 -4.934 -6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -19.154 -3.481 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.223 -2.088 -5.025 1.00 0.00 H new ATOM 350 N GLU A 31 -16.793 -4.967 -8.118 1.00 0.00 N ATOM 351 CA GLU A 31 -16.360 -5.964 -9.089 1.00 0.00 C ATOM 352 C GLU A 31 -14.935 -6.426 -8.797 1.00 0.00 C ATOM 353 O GLU A 31 -14.676 -7.620 -8.645 1.00 0.00 O ATOM 354 CB GLU A 31 -16.444 -5.397 -10.508 1.00 0.00 C ATOM 355 CG GLU A 31 -16.044 -6.391 -11.585 1.00 0.00 C ATOM 356 CD GLU A 31 -16.742 -7.729 -11.433 1.00 0.00 C ATOM 357 OE1 GLU A 31 -17.990 -7.746 -11.389 1.00 0.00 O ATOM 358 OE2 GLU A 31 -16.040 -8.759 -11.358 1.00 0.00 O ATOM 0 H GLU A 31 -16.941 -4.036 -8.507 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.025 -6.824 -9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.464 -5.061 -10.696 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.801 -4.520 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.277 -5.973 -12.564 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.965 -6.542 -11.552 1.00 0.00 H new ATOM 365 N LEU A 32 -14.015 -5.471 -8.721 1.00 0.00 N ATOM 366 CA LEU A 32 -12.615 -5.778 -8.448 1.00 0.00 C ATOM 367 C LEU A 32 -12.480 -6.631 -7.190 1.00 0.00 C ATOM 368 O LEU A 32 -11.768 -7.636 -7.182 1.00 0.00 O ATOM 369 CB LEU A 32 -11.810 -4.487 -8.291 1.00 0.00 C ATOM 370 CG LEU A 32 -10.339 -4.559 -8.702 1.00 0.00 C ATOM 371 CD1 LEU A 32 -10.183 -4.260 -10.185 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.506 -3.594 -7.871 1.00 0.00 C ATOM 0 H LEU A 32 -14.213 -4.478 -8.844 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.221 -6.344 -9.293 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.293 -3.707 -8.880 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.860 -4.176 -7.248 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.979 -5.571 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.129 -4.316 -10.459 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.748 -4.990 -10.765 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.560 -3.259 -10.396 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.462 -3.658 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.867 -2.577 -8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.592 -3.855 -6.816 1.00 0.00 H new ATOM 384 N LEU A 33 -13.169 -6.225 -6.130 1.00 0.00 N ATOM 385 CA LEU A 33 -13.128 -6.953 -4.866 1.00 0.00 C ATOM 386 C LEU A 33 -13.004 -8.454 -5.106 1.00 0.00 C ATOM 387 O LEU A 33 -12.236 -9.139 -4.430 1.00 0.00 O ATOM 388 CB LEU A 33 -14.384 -6.658 -4.045 1.00 0.00 C ATOM 389 CG LEU A 33 -14.296 -5.470 -3.086 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.683 -5.064 -2.610 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.401 -5.805 -1.902 1.00 0.00 C ATOM 0 H LEU A 33 -13.763 -5.396 -6.120 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.251 -6.619 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.211 -6.483 -4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.633 -7.548 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.857 -4.628 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.600 -4.217 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.294 -4.781 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.150 -5.902 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.350 -4.948 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.811 -6.662 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.400 -6.046 -2.259 1.00 0.00 H new ATOM 403 N ARG A 34 -13.762 -8.958 -6.074 1.00 0.00 N ATOM 404 CA ARG A 34 -13.736 -10.377 -6.405 1.00 0.00 C ATOM 405 C ARG A 34 -12.457 -10.737 -7.156 1.00 0.00 C ATOM 406 O ARG A 34 -11.700 -11.612 -6.732 1.00 0.00 O ATOM 407 CB ARG A 34 -14.957 -10.749 -7.247 1.00 0.00 C ATOM 408 CG ARG A 34 -16.254 -10.786 -6.456 1.00 0.00 C ATOM 409 CD ARG A 34 -16.939 -9.429 -6.446 1.00 0.00 C ATOM 410 NE ARG A 34 -18.360 -9.535 -6.123 1.00 0.00 N ATOM 411 CZ ARG A 34 -19.261 -8.620 -6.463 1.00 0.00 C ATOM 412 NH1 ARG A 34 -18.892 -7.538 -7.135 1.00 0.00 N ATOM 413 NH2 ARG A 34 -20.535 -8.788 -6.132 1.00 0.00 N ATOM 0 H ARG A 34 -14.402 -8.404 -6.643 1.00 0.00 H new ATOM 0 HA ARG A 34 -13.761 -10.942 -5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.058 -10.032 -8.061 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -14.790 -11.726 -7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.924 -11.530 -6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.048 -11.099 -5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.449 -8.781 -5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.823 -8.957 -7.422 1.00 0.00 H new ATOM 0 HE ARG A 34 -18.678 -10.356 -5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.914 -7.406 -7.392 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.586 -6.837 -7.395 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -20.823 -9.620 -5.616 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -21.227 -8.085 -6.393 1.00 0.00 H new ATOM 427 N LEU A 35 -12.223 -10.059 -8.274 1.00 0.00 N ATOM 428 CA LEU A 35 -11.036 -10.307 -9.085 1.00 0.00 C ATOM 429 C LEU A 35 -9.782 -10.348 -8.218 1.00 0.00 C ATOM 430 O LEU A 35 -9.049 -11.336 -8.213 1.00 0.00 O ATOM 431 CB LEU A 35 -10.893 -9.227 -10.158 1.00 0.00 C ATOM 432 CG LEU A 35 -11.766 -9.397 -11.402 1.00 0.00 C ATOM 433 CD1 LEU A 35 -12.112 -8.042 -12.001 1.00 0.00 C ATOM 434 CD2 LEU A 35 -11.065 -10.272 -12.430 1.00 0.00 C ATOM 0 H LEU A 35 -12.839 -9.333 -8.640 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.153 -11.277 -9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.123 -8.262 -9.707 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.850 -9.192 -10.473 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.693 -9.889 -11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.734 -8.183 -12.885 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.655 -7.448 -11.267 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.195 -7.523 -12.281 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.701 -10.382 -13.308 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.122 -9.808 -12.720 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.869 -11.254 -11.999 1.00 0.00 H new ATOM 446 N LYS A 36 -9.543 -9.267 -7.482 1.00 0.00 N ATOM 447 CA LYS A 36 -8.380 -9.179 -6.607 1.00 0.00 C ATOM 448 C LYS A 36 -8.704 -9.714 -5.216 1.00 0.00 C ATOM 449 O LYS A 36 -8.280 -9.148 -4.209 1.00 0.00 O ATOM 450 CB LYS A 36 -7.899 -7.730 -6.509 1.00 0.00 C ATOM 451 CG LYS A 36 -7.656 -7.076 -7.858 1.00 0.00 C ATOM 452 CD LYS A 36 -6.680 -7.882 -8.700 1.00 0.00 C ATOM 453 CE LYS A 36 -6.508 -7.277 -10.085 1.00 0.00 C ATOM 454 NZ LYS A 36 -5.788 -8.199 -11.007 1.00 0.00 N ATOM 0 H LYS A 36 -10.140 -8.440 -7.474 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.586 -9.791 -7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.639 -7.147 -5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.976 -7.701 -5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.602 -6.976 -8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.266 -6.069 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.714 -7.925 -8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.037 -8.908 -8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.487 -7.038 -10.501 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.958 -6.339 -10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.691 -7.751 -11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.844 -8.407 -10.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.326 -9.084 -11.103 1.00 0.00 H new ATOM 468 N ALA A 37 -9.456 -10.808 -5.168 1.00 0.00 N ATOM 469 CA ALA A 37 -9.834 -11.421 -3.900 1.00 0.00 C ATOM 470 C ALA A 37 -8.704 -12.286 -3.351 1.00 0.00 C ATOM 471 O ALA A 37 -8.376 -12.219 -2.167 1.00 0.00 O ATOM 472 CB ALA A 37 -11.100 -12.248 -4.070 1.00 0.00 C ATOM 0 H ALA A 37 -9.816 -11.289 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.028 -10.624 -3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.370 -12.700 -3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.912 -11.605 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.926 -13.033 -4.806 1.00 0.00 H new ATOM 478 N LYS A 38 -8.113 -13.100 -4.219 1.00 0.00 N ATOM 479 CA LYS A 38 -7.020 -13.979 -3.822 1.00 0.00 C ATOM 480 C LYS A 38 -5.836 -13.172 -3.297 1.00 0.00 C ATOM 481 O LYS A 38 -5.010 -13.684 -2.542 1.00 0.00 O ATOM 482 CB LYS A 38 -6.577 -14.843 -5.006 1.00 0.00 C ATOM 483 CG LYS A 38 -5.740 -14.092 -6.027 1.00 0.00 C ATOM 484 CD LYS A 38 -4.867 -15.038 -6.835 1.00 0.00 C ATOM 485 CE LYS A 38 -5.581 -15.523 -8.087 1.00 0.00 C ATOM 486 NZ LYS A 38 -5.457 -14.551 -9.208 1.00 0.00 N ATOM 0 H LYS A 38 -8.373 -13.169 -5.203 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.380 -14.626 -3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.004 -15.691 -4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.460 -15.248 -5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.395 -13.537 -6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.112 -13.361 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.943 -14.532 -7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.589 -15.893 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.167 -16.484 -8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.635 -15.687 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.957 -14.918 -10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.875 -13.641 -8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.452 -14.414 -9.439 1.00 0.00 H new ATOM 500 N SER A 39 -5.762 -11.908 -3.701 1.00 0.00 N ATOM 501 CA SER A 39 -4.678 -11.032 -3.273 1.00 0.00 C ATOM 502 C SER A 39 -5.194 -9.953 -2.326 1.00 0.00 C ATOM 503 O SER A 39 -6.389 -9.657 -2.295 1.00 0.00 O ATOM 504 CB SER A 39 -4.008 -10.384 -4.487 1.00 0.00 C ATOM 505 OG SER A 39 -3.485 -11.365 -5.365 1.00 0.00 O ATOM 0 H SER A 39 -6.439 -11.468 -4.324 1.00 0.00 H new ATOM 0 HA SER A 39 -3.943 -11.637 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.731 -9.765 -5.018 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.206 -9.724 -4.155 1.00 0.00 H new ATOM 0 HG SER A 39 -3.064 -10.925 -6.133 1.00 0.00 H new ATOM 511 N LEU A 40 -4.285 -9.368 -1.555 1.00 0.00 N ATOM 512 CA LEU A 40 -4.646 -8.320 -0.605 1.00 0.00 C ATOM 513 C LEU A 40 -5.023 -7.033 -1.332 1.00 0.00 C ATOM 514 O LEU A 40 -4.302 -6.574 -2.219 1.00 0.00 O ATOM 515 CB LEU A 40 -3.487 -8.055 0.357 1.00 0.00 C ATOM 516 CG LEU A 40 -3.554 -6.745 1.143 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.707 -6.775 2.134 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.237 -6.487 1.861 1.00 0.00 C ATOM 0 H LEU A 40 -3.292 -9.601 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.511 -8.661 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.435 -8.880 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.558 -8.066 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.728 -5.930 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.739 -5.834 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.645 -6.913 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.565 -7.599 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.302 -5.551 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.033 -7.305 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.431 -6.421 1.130 1.00 0.00 H new ATOM 530 N LEU A 41 -6.156 -6.455 -0.950 1.00 0.00 N ATOM 531 CA LEU A 41 -6.629 -5.218 -1.563 1.00 0.00 C ATOM 532 C LEU A 41 -6.459 -4.039 -0.611 1.00 0.00 C ATOM 533 O LEU A 41 -6.471 -4.205 0.609 1.00 0.00 O ATOM 534 CB LEU A 41 -8.098 -5.355 -1.966 1.00 0.00 C ATOM 535 CG LEU A 41 -8.577 -4.426 -3.082 1.00 0.00 C ATOM 536 CD1 LEU A 41 -7.898 -4.777 -4.397 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.090 -4.500 -3.225 1.00 0.00 C ATOM 0 H LEU A 41 -6.765 -6.823 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.030 -5.031 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.274 -6.385 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.714 -5.179 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.306 -3.404 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.251 -4.105 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.819 -4.672 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.137 -5.806 -4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.413 -3.832 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.383 -5.522 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.559 -4.199 -2.288 1.00 0.00 H new ATOM 549 N VAL A 42 -6.302 -2.846 -1.177 1.00 0.00 N ATOM 550 CA VAL A 42 -6.133 -1.637 -0.379 1.00 0.00 C ATOM 551 C VAL A 42 -6.885 -0.463 -0.994 1.00 0.00 C ATOM 552 O VAL A 42 -6.476 0.082 -2.020 1.00 0.00 O ATOM 553 CB VAL A 42 -4.646 -1.262 -0.236 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.499 0.082 0.460 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.893 -2.348 0.518 1.00 0.00 C ATOM 0 H VAL A 42 -6.288 -2.691 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.543 -1.850 0.608 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.213 -1.177 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.442 0.330 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.003 0.852 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.947 0.029 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.844 -2.067 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.325 -2.467 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.970 -3.289 -0.027 1.00 0.00 H new ATOM 565 N VAL A 43 -7.989 -0.077 -0.361 1.00 0.00 N ATOM 566 CA VAL A 43 -8.798 1.035 -0.845 1.00 0.00 C ATOM 567 C VAL A 43 -8.469 2.322 -0.097 1.00 0.00 C ATOM 568 O VAL A 43 -8.962 2.555 1.007 1.00 0.00 O ATOM 569 CB VAL A 43 -10.303 0.739 -0.697 1.00 0.00 C ATOM 570 CG1 VAL A 43 -11.124 1.980 -1.014 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.708 -0.422 -1.593 1.00 0.00 C ATOM 0 H VAL A 43 -8.343 -0.518 0.488 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.561 1.162 -1.901 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.501 0.456 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.184 1.753 -0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.852 2.781 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.925 2.296 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.774 -0.617 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.497 -0.170 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.143 -1.311 -1.314 1.00 0.00 H new ATOM 581 N HIS A 44 -7.631 3.155 -0.705 1.00 0.00 N ATOM 582 CA HIS A 44 -7.235 4.421 -0.097 1.00 0.00 C ATOM 583 C HIS A 44 -8.182 5.543 -0.513 1.00 0.00 C ATOM 584 O HIS A 44 -8.238 5.920 -1.683 1.00 0.00 O ATOM 585 CB HIS A 44 -5.801 4.775 -0.492 1.00 0.00 C ATOM 586 CG HIS A 44 -5.456 6.214 -0.265 1.00 0.00 C ATOM 587 ND1 HIS A 44 -4.668 6.944 -1.130 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.797 7.060 0.735 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.538 8.176 -0.671 1.00 0.00 C ATOM 590 NE2 HIS A 44 -5.214 8.272 0.460 1.00 0.00 N ATOM 0 H HIS A 44 -7.213 2.977 -1.618 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.288 4.308 0.986 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.112 4.151 0.076 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.653 4.536 -1.545 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.251 6.588 -1.990 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.413 6.825 1.590 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.975 8.969 -1.140 1.00 0.00 H new ATOM 599 N PHE A 45 -8.925 6.072 0.454 1.00 0.00 N ATOM 600 CA PHE A 45 -9.871 7.150 0.188 1.00 0.00 C ATOM 601 C PHE A 45 -9.139 8.462 -0.080 1.00 0.00 C ATOM 602 O PHE A 45 -8.650 9.112 0.845 1.00 0.00 O ATOM 603 CB PHE A 45 -10.829 7.319 1.368 1.00 0.00 C ATOM 604 CG PHE A 45 -12.065 6.471 1.263 1.00 0.00 C ATOM 605 CD1 PHE A 45 -12.010 5.109 1.516 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.280 7.035 0.912 1.00 0.00 C ATOM 607 CE1 PHE A 45 -13.145 4.326 1.421 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.418 6.257 0.815 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.351 4.901 1.069 1.00 0.00 C ATOM 0 H PHE A 45 -8.890 5.772 1.428 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.444 6.886 -0.701 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.304 7.070 2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.122 8.366 1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.069 4.655 1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.339 8.095 0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.089 3.266 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.360 6.709 0.541 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.239 4.292 0.993 1.00 0.00 H new ATOM 619 N TRP A 46 -9.068 8.844 -1.350 1.00 0.00 N ATOM 620 CA TRP A 46 -8.395 10.078 -1.739 1.00 0.00 C ATOM 621 C TRP A 46 -9.401 11.205 -1.943 1.00 0.00 C ATOM 622 O TRP A 46 -10.428 11.022 -2.596 1.00 0.00 O ATOM 623 CB TRP A 46 -7.588 9.860 -3.020 1.00 0.00 C ATOM 624 CG TRP A 46 -8.434 9.827 -4.257 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.943 8.719 -4.872 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.867 10.951 -5.030 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.667 9.087 -5.980 1.00 0.00 N ATOM 628 CE2 TRP A 46 -9.636 10.451 -6.099 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.682 12.332 -4.922 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -10.217 11.284 -7.051 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -9.259 13.157 -5.869 1.00 0.00 C ATOM 632 CH2 TRP A 46 -10.019 12.632 -6.922 1.00 0.00 C ATOM 0 H TRP A 46 -9.468 8.318 -2.127 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.717 10.363 -0.934 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.849 10.656 -3.115 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.038 8.922 -2.939 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.798 7.703 -4.537 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.150 8.448 -6.612 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -8.099 12.747 -4.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -10.804 10.881 -7.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -9.121 14.226 -5.796 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -10.457 13.304 -7.646 1.00 0.00 H new ATOM 643 N ALA A 47 -9.099 12.371 -1.381 1.00 0.00 N ATOM 644 CA ALA A 47 -9.977 13.529 -1.504 1.00 0.00 C ATOM 645 C ALA A 47 -9.302 14.648 -2.289 1.00 0.00 C ATOM 646 O ALA A 47 -8.089 14.844 -2.220 1.00 0.00 O ATOM 647 CB ALA A 47 -10.393 14.024 -0.127 1.00 0.00 C ATOM 0 H ALA A 47 -8.253 12.539 -0.836 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.868 13.222 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.048 14.889 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.922 13.230 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.507 14.308 0.441 1.00 0.00 H new ATOM 653 N PRO A 48 -10.105 15.401 -3.055 1.00 0.00 N ATOM 654 CA PRO A 48 -9.607 16.514 -3.869 1.00 0.00 C ATOM 655 C PRO A 48 -9.148 17.694 -3.019 1.00 0.00 C ATOM 656 O PRO A 48 -8.229 18.422 -3.395 1.00 0.00 O ATOM 657 CB PRO A 48 -10.821 16.905 -4.716 1.00 0.00 C ATOM 658 CG PRO A 48 -11.998 16.464 -3.918 1.00 0.00 C ATOM 659 CD PRO A 48 -11.561 15.225 -3.186 1.00 0.00 C ATOM 0 HA PRO A 48 -8.734 16.230 -4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.847 17.979 -4.899 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.798 16.417 -5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.309 17.241 -3.219 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.851 16.255 -4.563 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.045 15.142 -2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.808 14.321 -3.743 1.00 0.00 H new ATOM 667 N TRP A 49 -9.794 17.877 -1.873 1.00 0.00 N ATOM 668 CA TRP A 49 -9.451 18.970 -0.969 1.00 0.00 C ATOM 669 C TRP A 49 -8.379 18.538 0.025 1.00 0.00 C ATOM 670 O TRP A 49 -7.399 19.249 0.244 1.00 0.00 O ATOM 671 CB TRP A 49 -10.696 19.449 -0.220 1.00 0.00 C ATOM 672 CG TRP A 49 -11.502 18.331 0.369 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.469 17.599 -0.259 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.411 17.819 1.703 1.00 0.00 C ATOM 675 NE1 TRP A 49 -12.985 16.663 0.605 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.352 16.777 1.814 1.00 0.00 C ATOM 677 CE3 TRP A 49 -10.625 18.138 2.813 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -12.527 16.055 2.992 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -10.800 17.421 3.982 1.00 0.00 C ATOM 680 CH2 TRP A 49 -11.744 16.389 4.064 1.00 0.00 C ATOM 0 H TRP A 49 -10.557 17.284 -1.548 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.056 19.792 -1.566 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.393 20.128 0.577 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.325 20.020 -0.903 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.782 17.736 -1.284 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.720 15.992 0.382 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.894 18.931 2.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.255 15.260 3.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.199 17.660 4.847 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -11.856 15.846 4.991 1.00 0.00 H new ATOM 691 N ALA A 50 -8.571 17.367 0.625 1.00 0.00 N ATOM 692 CA ALA A 50 -7.619 16.840 1.594 1.00 0.00 C ATOM 693 C ALA A 50 -6.218 16.754 0.997 1.00 0.00 C ATOM 694 O ALA A 50 -5.933 15.919 0.139 1.00 0.00 O ATOM 695 CB ALA A 50 -8.069 15.472 2.086 1.00 0.00 C ATOM 0 H ALA A 50 -9.378 16.766 0.456 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.584 17.526 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.348 15.090 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.047 15.559 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.134 14.785 1.242 1.00 0.00 H new ATOM 701 N PRO A 51 -5.322 17.639 1.459 1.00 0.00 N ATOM 702 CA PRO A 51 -3.936 17.683 0.984 1.00 0.00 C ATOM 703 C PRO A 51 -3.127 16.475 1.443 1.00 0.00 C ATOM 704 O PRO A 51 -2.088 16.157 0.865 1.00 0.00 O ATOM 705 CB PRO A 51 -3.386 18.966 1.613 1.00 0.00 C ATOM 706 CG PRO A 51 -4.224 19.182 2.826 1.00 0.00 C ATOM 707 CD PRO A 51 -5.593 18.663 2.481 1.00 0.00 C ATOM 0 HA PRO A 51 -3.877 17.667 -0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.333 18.860 1.873 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.461 19.808 0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.811 18.653 3.685 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.262 20.239 3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.093 18.239 3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.237 19.454 2.097 1.00 0.00 H new ATOM 715 N GLN A 52 -3.610 15.807 2.485 1.00 0.00 N ATOM 716 CA GLN A 52 -2.930 14.633 3.022 1.00 0.00 C ATOM 717 C GLN A 52 -2.690 13.597 1.929 1.00 0.00 C ATOM 718 O GLN A 52 -1.618 12.995 1.856 1.00 0.00 O ATOM 719 CB GLN A 52 -3.751 14.016 4.155 1.00 0.00 C ATOM 720 CG GLN A 52 -3.490 14.652 5.511 1.00 0.00 C ATOM 721 CD GLN A 52 -4.383 15.848 5.776 1.00 0.00 C ATOM 722 OE1 GLN A 52 -4.249 16.891 5.136 1.00 0.00 O ATOM 723 NE2 GLN A 52 -5.301 15.704 6.725 1.00 0.00 N ATOM 0 H GLN A 52 -4.469 16.058 2.974 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.964 14.951 3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.811 14.109 3.917 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.530 12.950 4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.644 13.908 6.293 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.447 14.963 5.568 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.377 14.822 7.231 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.930 16.476 6.948 1.00 0.00 H new ATOM 732 N CYS A 53 -3.693 13.393 1.083 1.00 0.00 N ATOM 733 CA CYS A 53 -3.591 12.428 -0.006 1.00 0.00 C ATOM 734 C CYS A 53 -2.270 12.587 -0.752 1.00 0.00 C ATOM 735 O CYS A 53 -1.797 11.655 -1.401 1.00 0.00 O ATOM 736 CB CYS A 53 -4.762 12.596 -0.976 1.00 0.00 C ATOM 737 SG CYS A 53 -4.449 11.939 -2.631 1.00 0.00 S ATOM 0 H CYS A 53 -4.586 13.883 1.130 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.626 11.427 0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.639 12.100 -0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.004 13.656 -1.057 1.00 0.00 H new ATOM 0 HG CYS A 53 -3.173 11.972 -2.877 1.00 0.00 H new ATOM 743 N ALA A 54 -1.681 13.774 -0.654 1.00 0.00 N ATOM 744 CA ALA A 54 -0.415 14.055 -1.319 1.00 0.00 C ATOM 745 C ALA A 54 0.603 12.951 -1.051 1.00 0.00 C ATOM 746 O ALA A 54 0.992 12.220 -1.961 1.00 0.00 O ATOM 747 CB ALA A 54 0.132 15.401 -0.866 1.00 0.00 C ATOM 0 H ALA A 54 -2.060 14.556 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.598 14.092 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.078 15.598 -1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.582 16.186 -1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.293 15.384 0.212 1.00 0.00 H new ATOM 753 N GLN A 55 1.030 12.838 0.203 1.00 0.00 N ATOM 754 CA GLN A 55 2.004 11.824 0.589 1.00 0.00 C ATOM 755 C GLN A 55 1.380 10.433 0.564 1.00 0.00 C ATOM 756 O GLN A 55 1.985 9.480 0.075 1.00 0.00 O ATOM 757 CB GLN A 55 2.557 12.123 1.983 1.00 0.00 C ATOM 758 CG GLN A 55 1.540 12.759 2.918 1.00 0.00 C ATOM 759 CD GLN A 55 1.546 14.273 2.845 1.00 0.00 C ATOM 760 OE1 GLN A 55 0.508 14.899 2.630 1.00 0.00 O ATOM 761 NE2 GLN A 55 2.719 14.870 3.022 1.00 0.00 N ATOM 0 H GLN A 55 0.717 13.436 0.968 1.00 0.00 H new ATOM 0 HA GLN A 55 2.822 11.848 -0.131 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.917 11.196 2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.417 12.787 1.889 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.544 12.391 2.670 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.749 12.448 3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.554 14.311 3.198 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.785 15.887 2.982 1.00 0.00 H new ATOM 770 N MET A 56 0.167 10.324 1.096 1.00 0.00 N ATOM 771 CA MET A 56 -0.539 9.049 1.134 1.00 0.00 C ATOM 772 C MET A 56 -0.672 8.459 -0.266 1.00 0.00 C ATOM 773 O MET A 56 -0.945 7.270 -0.426 1.00 0.00 O ATOM 774 CB MET A 56 -1.925 9.227 1.759 1.00 0.00 C ATOM 775 CG MET A 56 -1.885 9.538 3.246 1.00 0.00 C ATOM 776 SD MET A 56 -1.276 8.154 4.229 1.00 0.00 S ATOM 777 CE MET A 56 0.446 8.608 4.422 1.00 0.00 C ATOM 0 H MET A 56 -0.347 11.103 1.507 1.00 0.00 H new ATOM 0 HA MET A 56 0.042 8.359 1.746 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.447 10.032 1.242 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.505 8.318 1.602 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.248 10.406 3.415 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.886 9.806 3.584 1.00 0.00 H new ATOM 0 HE1 MET A 56 1.072 7.725 4.293 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.712 9.354 3.673 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.604 9.022 5.418 1.00 0.00 H new ATOM 787 N ASN A 57 -0.478 9.299 -1.278 1.00 0.00 N ATOM 788 CA ASN A 57 -0.577 8.860 -2.665 1.00 0.00 C ATOM 789 C ASN A 57 0.724 8.208 -3.124 1.00 0.00 C ATOM 790 O ASN A 57 0.721 7.089 -3.636 1.00 0.00 O ATOM 791 CB ASN A 57 -0.915 10.044 -3.574 1.00 0.00 C ATOM 792 CG ASN A 57 -0.771 9.704 -5.044 1.00 0.00 C ATOM 793 OD1 ASN A 57 -0.913 8.547 -5.442 1.00 0.00 O ATOM 794 ND2 ASN A 57 -0.489 10.713 -5.860 1.00 0.00 N ATOM 0 H ASN A 57 -0.251 10.287 -1.163 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.376 8.121 -2.729 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.937 10.369 -3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.262 10.882 -3.332 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.381 10.545 -6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.380 11.656 -5.486 1.00 0.00 H new ATOM 801 N GLU A 58 1.833 8.916 -2.935 1.00 0.00 N ATOM 802 CA GLU A 58 3.141 8.405 -3.330 1.00 0.00 C ATOM 803 C GLU A 58 3.534 7.201 -2.479 1.00 0.00 C ATOM 804 O GLU A 58 4.177 6.269 -2.962 1.00 0.00 O ATOM 805 CB GLU A 58 4.200 9.501 -3.203 1.00 0.00 C ATOM 806 CG GLU A 58 4.783 9.626 -1.806 1.00 0.00 C ATOM 807 CD GLU A 58 5.950 8.685 -1.574 1.00 0.00 C ATOM 808 OE1 GLU A 58 6.067 7.691 -2.322 1.00 0.00 O ATOM 809 OE2 GLU A 58 6.745 8.942 -0.646 1.00 0.00 O ATOM 0 H GLU A 58 1.852 9.844 -2.511 1.00 0.00 H new ATOM 0 HA GLU A 58 3.080 8.088 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.007 9.298 -3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.759 10.456 -3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.111 10.653 -1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.004 9.421 -1.072 1.00 0.00 H new ATOM 816 N VAL A 59 3.144 7.229 -1.208 1.00 0.00 N ATOM 817 CA VAL A 59 3.455 6.141 -0.289 1.00 0.00 C ATOM 818 C VAL A 59 2.886 4.819 -0.790 1.00 0.00 C ATOM 819 O VAL A 59 3.526 3.773 -0.676 1.00 0.00 O ATOM 820 CB VAL A 59 2.903 6.423 1.121 1.00 0.00 C ATOM 821 CG1 VAL A 59 2.986 5.175 1.987 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.652 7.579 1.765 1.00 0.00 C ATOM 0 H VAL A 59 2.612 7.993 -0.792 1.00 0.00 H new ATOM 0 HA VAL A 59 4.542 6.070 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 59 1.854 6.705 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.592 5.394 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.400 4.377 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.026 4.859 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.249 7.764 2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.710 7.329 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.535 8.474 1.154 1.00 0.00 H new ATOM 832 N MET A 60 1.681 4.872 -1.348 1.00 0.00 N ATOM 833 CA MET A 60 1.027 3.678 -1.869 1.00 0.00 C ATOM 834 C MET A 60 1.719 3.188 -3.137 1.00 0.00 C ATOM 835 O MET A 60 1.976 1.995 -3.294 1.00 0.00 O ATOM 836 CB MET A 60 -0.448 3.963 -2.157 1.00 0.00 C ATOM 837 CG MET A 60 -1.321 3.969 -0.912 1.00 0.00 C ATOM 838 SD MET A 60 -3.012 3.443 -1.247 1.00 0.00 S ATOM 839 CE MET A 60 -3.240 4.071 -2.909 1.00 0.00 C ATOM 0 H MET A 60 1.138 5.729 -1.451 1.00 0.00 H new ATOM 0 HA MET A 60 1.098 2.896 -1.113 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.532 4.929 -2.654 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.826 3.213 -2.852 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.882 3.311 -0.162 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.334 4.973 -0.487 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.305 4.133 -3.132 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.795 5.063 -2.987 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.759 3.400 -3.621 1.00 0.00 H new ATOM 849 N ALA A 61 2.019 4.117 -4.039 1.00 0.00 N ATOM 850 CA ALA A 61 2.683 3.779 -5.291 1.00 0.00 C ATOM 851 C ALA A 61 3.921 2.924 -5.044 1.00 0.00 C ATOM 852 O ALA A 61 4.054 1.834 -5.598 1.00 0.00 O ATOM 853 CB ALA A 61 3.057 5.045 -6.048 1.00 0.00 C ATOM 0 H ALA A 61 1.812 5.109 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 61 1.987 3.198 -5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.552 4.778 -6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.156 5.618 -6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.731 5.647 -5.439 1.00 0.00 H new ATOM 859 N GLU A 62 4.825 3.427 -4.208 1.00 0.00 N ATOM 860 CA GLU A 62 6.053 2.709 -3.889 1.00 0.00 C ATOM 861 C GLU A 62 5.745 1.293 -3.409 1.00 0.00 C ATOM 862 O GLU A 62 6.462 0.345 -3.735 1.00 0.00 O ATOM 863 CB GLU A 62 6.847 3.461 -2.819 1.00 0.00 C ATOM 864 CG GLU A 62 7.384 4.802 -3.290 1.00 0.00 C ATOM 865 CD GLU A 62 8.767 4.694 -3.901 1.00 0.00 C ATOM 866 OE1 GLU A 62 9.607 3.959 -3.340 1.00 0.00 O ATOM 867 OE2 GLU A 62 9.011 5.345 -4.938 1.00 0.00 O ATOM 0 H GLU A 62 4.730 4.328 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 62 6.653 2.645 -4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.209 3.620 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.681 2.839 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.699 5.226 -4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.416 5.493 -2.447 1.00 0.00 H new ATOM 874 N LEU A 63 4.676 1.157 -2.632 1.00 0.00 N ATOM 875 CA LEU A 63 4.273 -0.142 -2.106 1.00 0.00 C ATOM 876 C LEU A 63 3.642 -1.000 -3.198 1.00 0.00 C ATOM 877 O LEU A 63 3.799 -2.221 -3.211 1.00 0.00 O ATOM 878 CB LEU A 63 3.288 0.037 -0.950 1.00 0.00 C ATOM 879 CG LEU A 63 3.865 0.623 0.339 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.750 1.116 1.248 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.723 -0.410 1.057 1.00 0.00 C ATOM 0 H LEU A 63 4.073 1.931 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 63 5.165 -0.650 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.476 0.682 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.849 -0.934 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 63 4.496 1.473 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.180 1.530 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.177 1.888 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.093 0.284 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.126 0.024 1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.114 -1.280 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.544 -0.715 0.408 1.00 0.00 H new ATOM 893 N ALA A 64 2.930 -0.353 -4.115 1.00 0.00 N ATOM 894 CA ALA A 64 2.279 -1.056 -5.213 1.00 0.00 C ATOM 895 C ALA A 64 3.293 -1.836 -6.043 1.00 0.00 C ATOM 896 O ALA A 64 3.128 -3.033 -6.280 1.00 0.00 O ATOM 897 CB ALA A 64 1.520 -0.073 -6.092 1.00 0.00 C ATOM 0 H ALA A 64 2.790 0.657 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 64 1.572 -1.768 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.039 -0.612 -6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.762 0.437 -5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.215 0.661 -6.501 1.00 0.00 H new ATOM 903 N LYS A 65 4.344 -1.151 -6.482 1.00 0.00 N ATOM 904 CA LYS A 65 5.386 -1.780 -7.286 1.00 0.00 C ATOM 905 C LYS A 65 6.223 -2.735 -6.440 1.00 0.00 C ATOM 906 O LYS A 65 6.650 -3.786 -6.916 1.00 0.00 O ATOM 907 CB LYS A 65 6.287 -0.714 -7.913 1.00 0.00 C ATOM 908 CG LYS A 65 7.093 0.077 -6.897 1.00 0.00 C ATOM 909 CD LYS A 65 7.354 1.496 -7.374 1.00 0.00 C ATOM 910 CE LYS A 65 8.633 2.059 -6.775 1.00 0.00 C ATOM 911 NZ LYS A 65 8.736 1.772 -5.317 1.00 0.00 N ATOM 0 H LYS A 65 4.497 -0.160 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 65 4.904 -2.352 -8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.971 -1.194 -8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.672 -0.025 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.557 0.104 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.042 -0.426 -6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.424 1.508 -8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.512 2.133 -7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.494 1.633 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.666 3.137 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.992 2.643 -4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.821 1.423 -4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.467 1.050 -5.156 1.00 0.00 H new ATOM 925 N GLU A 66 6.451 -2.362 -5.185 1.00 0.00 N ATOM 926 CA GLU A 66 7.236 -3.187 -4.274 1.00 0.00 C ATOM 927 C GLU A 66 6.535 -4.514 -4.001 1.00 0.00 C ATOM 928 O GLU A 66 7.178 -5.559 -3.898 1.00 0.00 O ATOM 929 CB GLU A 66 7.478 -2.445 -2.958 1.00 0.00 C ATOM 930 CG GLU A 66 8.175 -3.288 -1.903 1.00 0.00 C ATOM 931 CD GLU A 66 9.644 -3.507 -2.209 1.00 0.00 C ATOM 932 OE1 GLU A 66 9.951 -4.038 -3.296 1.00 0.00 O ATOM 933 OE2 GLU A 66 10.486 -3.148 -1.359 1.00 0.00 O ATOM 0 H GLU A 66 6.104 -1.495 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 66 8.196 -3.394 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.078 -1.557 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.522 -2.102 -2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.078 -2.802 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.676 -4.254 -1.827 1.00 0.00 H new ATOM 940 N LEU A 67 5.213 -4.465 -3.885 1.00 0.00 N ATOM 941 CA LEU A 67 4.422 -5.663 -3.623 1.00 0.00 C ATOM 942 C LEU A 67 3.480 -5.958 -4.786 1.00 0.00 C ATOM 943 O LEU A 67 2.366 -5.439 -4.861 1.00 0.00 O ATOM 944 CB LEU A 67 3.621 -5.497 -2.331 1.00 0.00 C ATOM 945 CG LEU A 67 4.386 -4.929 -1.135 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.421 -4.369 -0.102 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.274 -5.998 -0.514 1.00 0.00 C ATOM 0 H LEU A 67 4.665 -3.608 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 67 5.107 -6.504 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.771 -4.846 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.217 -6.470 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 67 5.021 -4.116 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.983 -3.969 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.827 -3.573 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.760 -5.163 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.811 -5.576 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.658 -6.832 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.990 -6.353 -1.256 1.00 0.00 H new ATOM 959 N PRO A 68 3.934 -6.814 -5.713 1.00 0.00 N ATOM 960 CA PRO A 68 3.146 -7.200 -6.887 1.00 0.00 C ATOM 961 C PRO A 68 1.953 -8.077 -6.522 1.00 0.00 C ATOM 962 O PRO A 68 1.015 -8.222 -7.306 1.00 0.00 O ATOM 963 CB PRO A 68 4.144 -7.985 -7.742 1.00 0.00 C ATOM 964 CG PRO A 68 5.146 -8.507 -6.771 1.00 0.00 C ATOM 965 CD PRO A 68 5.252 -7.470 -5.687 1.00 0.00 C ATOM 0 HA PRO A 68 2.718 -6.334 -7.393 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.653 -8.797 -8.279 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.613 -7.346 -8.490 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.830 -9.467 -6.363 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.110 -8.667 -7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.457 -7.922 -4.717 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.057 -6.762 -5.885 1.00 0.00 H new ATOM 973 N GLN A 69 1.995 -8.658 -5.328 1.00 0.00 N ATOM 974 CA GLN A 69 0.917 -9.521 -4.860 1.00 0.00 C ATOM 975 C GLN A 69 -0.155 -8.709 -4.139 1.00 0.00 C ATOM 976 O GLN A 69 -1.023 -9.267 -3.467 1.00 0.00 O ATOM 977 CB GLN A 69 1.468 -10.601 -3.927 1.00 0.00 C ATOM 978 CG GLN A 69 2.051 -10.051 -2.636 1.00 0.00 C ATOM 979 CD GLN A 69 3.525 -9.718 -2.756 1.00 0.00 C ATOM 980 OE1 GLN A 69 4.153 -9.988 -3.781 1.00 0.00 O ATOM 981 NE2 GLN A 69 4.086 -9.127 -1.708 1.00 0.00 N ATOM 0 H GLN A 69 2.764 -8.547 -4.667 1.00 0.00 H new ATOM 0 HA GLN A 69 0.464 -9.998 -5.729 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.669 -11.302 -3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.239 -11.165 -4.453 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.502 -9.155 -2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.911 -10.781 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.528 -8.922 -0.879 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.075 -8.878 -1.732 1.00 0.00 H new ATOM 990 N VAL A 70 -0.089 -7.390 -4.284 1.00 0.00 N ATOM 991 CA VAL A 70 -1.054 -6.501 -3.648 1.00 0.00 C ATOM 992 C VAL A 70 -1.757 -5.625 -4.679 1.00 0.00 C ATOM 993 O VAL A 70 -1.233 -5.387 -5.767 1.00 0.00 O ATOM 994 CB VAL A 70 -0.380 -5.599 -2.598 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.354 -4.544 -2.096 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.157 -6.433 -1.445 1.00 0.00 C ATOM 0 H VAL A 70 0.623 -6.913 -4.837 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.789 -7.135 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 70 0.460 -5.088 -3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.860 -3.916 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.685 -3.927 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.216 -5.032 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.630 -5.779 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.664 -6.973 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.890 -7.146 -1.822 1.00 0.00 H new ATOM 1006 N SER A 71 -2.948 -5.148 -4.329 1.00 0.00 N ATOM 1007 CA SER A 71 -3.725 -4.300 -5.225 1.00 0.00 C ATOM 1008 C SER A 71 -4.072 -2.975 -4.554 1.00 0.00 C ATOM 1009 O SER A 71 -4.864 -2.931 -3.612 1.00 0.00 O ATOM 1010 CB SER A 71 -5.006 -5.017 -5.656 1.00 0.00 C ATOM 1011 OG SER A 71 -4.726 -6.040 -6.596 1.00 0.00 O ATOM 0 H SER A 71 -3.395 -5.335 -3.431 1.00 0.00 H new ATOM 0 HA SER A 71 -3.118 -4.093 -6.107 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.498 -5.446 -4.783 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.700 -4.298 -6.092 1.00 0.00 H new ATOM 0 HG SER A 71 -5.071 -5.779 -7.476 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.473 -1.895 -5.046 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.717 -0.568 -4.495 1.00 0.00 C ATOM 1019 C PHE A 72 -4.701 0.210 -5.364 1.00 0.00 C ATOM 1020 O PHE A 72 -4.390 0.579 -6.496 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.403 0.207 -4.375 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.467 -0.357 -3.345 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -0.577 -1.366 -3.677 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -1.475 0.122 -2.045 1.00 0.00 C ATOM 1025 CE1 PHE A 72 0.285 -1.888 -2.731 1.00 0.00 C ATOM 1026 CE2 PHE A 72 -0.615 -0.395 -1.094 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.267 -1.401 -1.439 1.00 0.00 C ATOM 0 H PHE A 72 -2.815 -1.914 -5.825 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.152 -0.689 -3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.904 0.212 -5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.624 1.245 -4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.557 -1.749 -4.687 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.162 0.909 -1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.972 -2.676 -3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.633 -0.013 -0.084 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.942 -1.806 -0.699 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.892 0.455 -4.825 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.922 1.189 -5.549 1.00 0.00 C ATOM 1039 C VAL A 73 -7.375 2.417 -4.768 1.00 0.00 C ATOM 1040 O VAL A 73 -7.832 2.309 -3.630 1.00 0.00 O ATOM 1041 CB VAL A 73 -8.146 0.299 -5.839 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.793 -0.783 -6.849 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.675 -0.314 -4.552 1.00 0.00 C ATOM 0 H VAL A 73 -6.166 0.155 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.479 1.506 -6.493 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.932 0.921 -6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.670 -1.401 -7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.465 -0.319 -7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.991 -1.404 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.539 -0.939 -4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.896 -0.922 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.969 0.480 -3.865 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.244 3.586 -5.386 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.641 4.837 -4.751 1.00 0.00 C ATOM 1055 C LYS A 74 -9.031 5.264 -5.211 1.00 0.00 C ATOM 1056 O LYS A 74 -9.283 5.407 -6.408 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.626 5.938 -5.068 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.475 6.216 -6.554 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.238 7.050 -6.842 1.00 0.00 C ATOM 1060 CE LYS A 74 -5.547 8.539 -6.794 1.00 0.00 C ATOM 1061 NZ LYS A 74 -5.358 9.101 -5.428 1.00 0.00 N ATOM 0 H LYS A 74 -6.865 3.693 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.668 4.676 -3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.929 6.856 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.656 5.655 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.414 5.273 -7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.360 6.737 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.461 6.815 -6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.843 6.791 -7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.902 9.067 -7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.574 8.707 -7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.232 9.575 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.132 8.333 -4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.578 9.788 -5.440 1.00 0.00 H new ATOM 1075 N LEU A 75 -9.929 5.467 -4.253 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.294 5.880 -4.560 1.00 0.00 C ATOM 1077 C LEU A 75 -11.594 7.254 -3.970 1.00 0.00 C ATOM 1078 O LEU A 75 -11.140 7.581 -2.873 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.292 4.853 -4.022 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.739 5.328 -3.889 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.702 4.166 -4.077 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -13.960 5.993 -2.538 1.00 0.00 C ATOM 0 H LEU A 75 -9.737 5.352 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.393 5.941 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.275 3.982 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.948 4.521 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.933 6.063 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.727 4.523 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.562 3.734 -5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.508 3.407 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.995 6.325 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.747 5.279 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.296 6.852 -2.442 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.361 8.054 -4.703 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.722 9.392 -4.251 1.00 0.00 C ATOM 1096 C GLU A 76 -13.958 9.349 -3.356 1.00 0.00 C ATOM 1097 O GLU A 76 -15.043 8.972 -3.797 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.978 10.308 -5.449 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.983 11.786 -5.095 1.00 0.00 C ATOM 1100 CD GLU A 76 -13.597 12.644 -6.184 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -13.053 12.653 -7.309 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -14.619 13.307 -5.913 1.00 0.00 O ATOM 0 H GLU A 76 -12.745 7.799 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.888 9.789 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.213 10.127 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.937 10.047 -5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.536 11.932 -4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.960 12.115 -4.911 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.784 9.738 -2.098 1.00 0.00 N ATOM 1110 CA ALA A 77 -14.884 9.746 -1.141 1.00 0.00 C ATOM 1111 C ALA A 77 -16.025 10.634 -1.625 1.00 0.00 C ATOM 1112 O ALA A 77 -17.195 10.352 -1.364 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.394 10.209 0.223 1.00 0.00 C ATOM 0 H ALA A 77 -12.891 10.052 -1.717 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.263 8.728 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.226 10.210 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.617 9.532 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.987 11.217 0.141 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.677 11.706 -2.330 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.675 12.635 -2.848 1.00 0.00 C ATOM 1121 C GLU A 78 -17.098 12.245 -4.262 1.00 0.00 C ATOM 1122 O GLU A 78 -18.173 12.623 -4.726 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.125 14.063 -2.844 1.00 0.00 C ATOM 1124 CG GLU A 78 -15.968 14.650 -1.452 1.00 0.00 C ATOM 1125 CD GLU A 78 -17.295 15.033 -0.827 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -18.250 15.309 -1.582 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -17.379 15.055 0.419 1.00 0.00 O ATOM 0 H GLU A 78 -14.713 11.952 -2.555 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.550 12.588 -2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.157 14.072 -3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.790 14.701 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.464 13.926 -0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.327 15.530 -1.503 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.244 11.487 -4.942 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.546 11.059 -6.295 1.00 0.00 C ATOM 1136 C GLY A 79 -17.494 9.877 -6.331 1.00 0.00 C ATOM 1137 O GLY A 79 -18.495 9.896 -7.049 1.00 0.00 O ATOM 0 H GLY A 79 -15.348 11.161 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.986 11.890 -6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.620 10.793 -6.804 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.180 8.844 -5.557 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.011 7.647 -5.504 1.00 0.00 C ATOM 1143 C VAL A 80 -18.653 7.484 -4.130 1.00 0.00 C ATOM 1144 O VAL A 80 -18.180 6.727 -3.283 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.196 6.382 -5.831 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.077 5.145 -5.756 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.550 6.505 -7.203 1.00 0.00 C ATOM 0 H VAL A 80 -16.356 8.812 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 80 -18.792 7.771 -6.255 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.404 6.279 -5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.484 4.261 -5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.487 5.051 -4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -18.893 5.235 -6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.978 5.602 -7.418 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.324 6.633 -7.960 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.884 7.368 -7.216 1.00 0.00 H new ATOM 1157 N PRO A 81 -19.757 8.211 -3.903 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.488 8.164 -2.633 1.00 0.00 C ATOM 1159 C PRO A 81 -21.203 6.833 -2.425 1.00 0.00 C ATOM 1160 O PRO A 81 -21.414 6.402 -1.292 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.504 9.301 -2.766 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.700 9.465 -4.234 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.376 9.135 -4.868 1.00 0.00 C ATOM 0 HA PRO A 81 -19.823 8.267 -1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.441 9.055 -2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.132 10.219 -2.311 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.484 8.802 -4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -22.006 10.483 -4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.503 8.669 -5.845 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.768 10.027 -5.017 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.573 6.187 -3.527 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.265 4.905 -3.463 1.00 0.00 C ATOM 1173 C GLU A 82 -21.576 3.963 -2.480 1.00 0.00 C ATOM 1174 O GLU A 82 -22.230 3.305 -1.671 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.320 4.261 -4.850 1.00 0.00 C ATOM 1176 CG GLU A 82 -22.980 2.892 -4.860 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.492 2.975 -4.937 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -25.007 4.001 -5.429 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.161 2.012 -4.506 1.00 0.00 O ATOM 0 H GLU A 82 -21.405 6.530 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.281 5.087 -3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -22.862 4.921 -5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.306 4.169 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -22.607 2.319 -5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -22.695 2.349 -3.959 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.250 3.903 -2.557 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.471 3.043 -1.675 1.00 0.00 C ATOM 1188 C VAL A 83 -19.269 3.694 -0.311 1.00 0.00 C ATOM 1189 O VAL A 83 -19.483 3.066 0.726 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.096 2.713 -2.283 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.271 1.876 -1.317 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.261 1.997 -3.615 1.00 0.00 C ATOM 0 H VAL A 83 -19.693 4.440 -3.222 1.00 0.00 H new ATOM 0 HA VAL A 83 -20.037 2.119 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.564 3.647 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.303 1.653 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.123 2.430 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.795 0.945 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.279 1.771 -4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.813 1.069 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.809 2.637 -4.306 1.00 0.00 H new ATOM 1202 N SER A 84 -18.854 4.957 -0.320 1.00 0.00 N ATOM 1203 CA SER A 84 -18.619 5.693 0.917 1.00 0.00 C ATOM 1204 C SER A 84 -19.783 5.512 1.886 1.00 0.00 C ATOM 1205 O SER A 84 -19.582 5.343 3.088 1.00 0.00 O ATOM 1206 CB SER A 84 -18.414 7.179 0.619 1.00 0.00 C ATOM 1207 OG SER A 84 -17.367 7.373 -0.317 1.00 0.00 O ATOM 0 H SER A 84 -18.674 5.492 -1.170 1.00 0.00 H new ATOM 0 HA SER A 84 -17.717 5.295 1.382 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.338 7.606 0.229 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.183 7.710 1.543 1.00 0.00 H new ATOM 0 HG SER A 84 -17.359 8.308 -0.609 1.00 0.00 H new ATOM 1213 N GLU A 85 -21.000 5.549 1.353 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.196 5.390 2.171 1.00 0.00 C ATOM 1215 C GLU A 85 -22.227 4.014 2.829 1.00 0.00 C ATOM 1216 O GLU A 85 -22.300 3.899 4.053 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.453 5.590 1.321 1.00 0.00 C ATOM 1218 CG GLU A 85 -24.724 5.739 2.140 1.00 0.00 C ATOM 1219 CD GLU A 85 -24.611 6.813 3.204 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -24.675 8.008 2.849 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -24.456 6.458 4.391 1.00 0.00 O ATOM 0 H GLU A 85 -21.183 5.688 0.359 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.172 6.147 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.325 6.477 0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.563 4.742 0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -25.554 5.978 1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -24.960 4.786 2.614 1.00 0.00 H new ATOM 1228 N LYS A 86 -22.171 2.971 2.008 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.192 1.601 2.507 1.00 0.00 C ATOM 1230 C LYS A 86 -21.275 1.449 3.716 1.00 0.00 C ATOM 1231 O LYS A 86 -21.717 1.060 4.798 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.766 0.628 1.405 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.958 -0.832 1.775 1.00 0.00 C ATOM 1234 CD LYS A 86 -21.057 -1.739 0.954 1.00 0.00 C ATOM 1235 CE LYS A 86 -21.075 -3.166 1.479 1.00 0.00 C ATOM 1236 NZ LYS A 86 -20.539 -4.131 0.479 1.00 0.00 N ATOM 0 H LYS A 86 -22.111 3.048 0.993 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.212 1.368 2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.337 0.843 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.716 0.799 1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.746 -0.970 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.999 -1.114 1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -21.380 -1.729 -0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.037 -1.355 0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.484 -3.224 2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -22.096 -3.444 1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.568 -5.093 0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.118 -4.094 -0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.556 -3.881 0.248 1.00 0.00 H new ATOM 1250 N TYR A 87 -19.997 1.760 3.527 1.00 0.00 N ATOM 1251 CA TYR A 87 -19.018 1.656 4.602 1.00 0.00 C ATOM 1252 C TYR A 87 -19.095 2.868 5.527 1.00 0.00 C ATOM 1253 O TYR A 87 -18.535 2.861 6.623 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.607 1.530 4.025 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.404 0.287 3.189 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -16.982 -0.903 3.770 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -17.632 0.302 1.819 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -16.795 -2.042 3.010 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -17.449 -0.832 1.051 1.00 0.00 C ATOM 1260 CZ TYR A 87 -17.030 -2.001 1.651 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.844 -3.132 0.890 1.00 0.00 O ATOM 0 H TYR A 87 -19.615 2.086 2.639 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.247 0.762 5.183 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.393 2.407 3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.887 1.529 4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -16.797 -0.938 4.833 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -17.958 1.216 1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -16.467 -2.959 3.477 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -17.633 -0.803 -0.013 1.00 0.00 H new ATOM 0 HH TYR A 87 -17.054 -2.934 -0.047 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.793 3.905 5.076 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.943 5.124 5.863 1.00 0.00 C ATOM 1273 C GLU A 88 -18.592 5.796 6.088 1.00 0.00 C ATOM 1274 O GLU A 88 -18.256 6.177 7.210 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.600 4.811 7.208 1.00 0.00 C ATOM 1276 CG GLU A 88 -21.853 3.959 7.091 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.376 3.501 8.438 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -22.627 4.366 9.303 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -22.534 2.276 8.628 1.00 0.00 O ATOM 0 H GLU A 88 -20.263 3.926 4.171 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.582 5.810 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.879 4.297 7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.853 5.747 7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.629 4.529 6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.638 3.087 6.473 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.821 5.937 5.015 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.508 6.563 5.095 1.00 0.00 C ATOM 1288 C ILE A 89 -16.616 8.081 5.003 1.00 0.00 C ATOM 1289 O ILE A 89 -16.555 8.653 3.915 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.574 6.057 3.979 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.305 4.561 4.149 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.269 6.839 3.986 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.407 4.237 5.322 1.00 0.00 C ATOM 0 H ILE A 89 -18.084 5.626 4.080 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.086 6.289 6.062 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.063 6.212 3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.255 4.042 4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.850 4.176 3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.620 6.470 3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.478 7.896 3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.774 6.712 4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.260 3.159 5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.443 4.728 5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.870 4.591 6.243 1.00 0.00 H new ATOM 1305 N SER A 90 -16.775 8.729 6.153 1.00 0.00 N ATOM 1306 CA SER A 90 -16.893 10.181 6.202 1.00 0.00 C ATOM 1307 C SER A 90 -15.604 10.814 6.719 1.00 0.00 C ATOM 1308 O SER A 90 -15.637 11.774 7.489 1.00 0.00 O ATOM 1309 CB SER A 90 -18.068 10.588 7.094 1.00 0.00 C ATOM 1310 OG SER A 90 -18.296 11.985 7.030 1.00 0.00 O ATOM 0 H SER A 90 -16.825 8.271 7.063 1.00 0.00 H new ATOM 0 HA SER A 90 -17.073 10.541 5.189 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.967 10.055 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.865 10.296 8.124 1.00 0.00 H new ATOM 0 HG SER A 90 -17.481 12.462 7.293 1.00 0.00 H new ATOM 1316 N SER A 91 -14.471 10.269 6.289 1.00 0.00 N ATOM 1317 CA SER A 91 -13.171 10.776 6.711 1.00 0.00 C ATOM 1318 C SER A 91 -12.075 10.328 5.748 1.00 0.00 C ATOM 1319 O SER A 91 -12.041 9.174 5.321 1.00 0.00 O ATOM 1320 CB SER A 91 -12.848 10.298 8.128 1.00 0.00 C ATOM 1321 OG SER A 91 -13.364 11.193 9.098 1.00 0.00 O ATOM 0 H SER A 91 -14.427 9.476 5.649 1.00 0.00 H new ATOM 0 HA SER A 91 -13.214 11.865 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.269 9.305 8.285 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.768 10.210 8.248 1.00 0.00 H new ATOM 0 HG SER A 91 -14.193 11.595 8.764 1.00 0.00 H new ATOM 1327 N VAL A 92 -11.179 11.250 5.411 1.00 0.00 N ATOM 1328 CA VAL A 92 -10.080 10.952 4.500 1.00 0.00 C ATOM 1329 C VAL A 92 -8.812 11.693 4.907 1.00 0.00 C ATOM 1330 O VAL A 92 -8.856 12.771 5.500 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.437 11.326 3.049 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.574 10.455 2.537 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.798 12.800 2.953 1.00 0.00 C ATOM 0 H VAL A 92 -11.193 12.210 5.755 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.904 9.878 4.558 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.564 11.148 2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.812 10.734 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.273 9.408 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.453 10.598 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.047 13.047 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.656 13.007 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.950 13.404 3.276 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.652 11.103 4.582 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.587 9.819 3.877 1.00 0.00 C ATOM 1345 C PRO A 93 -8.047 8.655 4.748 1.00 0.00 C ATOM 1346 O PRO A 93 -8.151 8.782 5.968 1.00 0.00 O ATOM 1347 CB PRO A 93 -6.101 9.677 3.536 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.397 10.494 4.563 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.314 11.643 4.879 1.00 0.00 C ATOM 0 HA PRO A 93 -8.243 9.798 3.006 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.784 8.635 3.574 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.889 10.038 2.530 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.189 9.904 5.456 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.439 10.852 4.187 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.227 11.952 5.921 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.089 12.517 4.268 1.00 0.00 H new ATOM 1357 N THR A 94 -8.323 7.520 4.113 1.00 0.00 N ATOM 1358 CA THR A 94 -8.773 6.334 4.830 1.00 0.00 C ATOM 1359 C THR A 94 -8.566 5.075 3.995 1.00 0.00 C ATOM 1360 O THR A 94 -9.174 4.913 2.936 1.00 0.00 O ATOM 1361 CB THR A 94 -10.261 6.441 5.215 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.433 7.436 6.231 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.788 5.104 5.714 1.00 0.00 C ATOM 0 H THR A 94 -8.243 7.398 3.104 1.00 0.00 H new ATOM 0 HA THR A 94 -8.174 6.268 5.738 1.00 0.00 H new ATOM 0 HB THR A 94 -10.824 6.727 4.327 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.816 8.246 5.834 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.840 5.204 5.980 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.682 4.355 4.929 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.220 4.794 6.591 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.705 4.186 4.477 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.417 2.941 3.774 1.00 0.00 C ATOM 1373 C PHE A 95 -8.285 1.803 4.305 1.00 0.00 C ATOM 1374 O PHE A 95 -8.507 1.688 5.512 1.00 0.00 O ATOM 1375 CB PHE A 95 -5.938 2.579 3.919 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.008 3.700 3.553 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.734 4.713 4.458 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.408 3.741 2.305 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.878 5.746 4.125 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.551 4.771 1.966 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.287 5.776 2.877 1.00 0.00 C ATOM 0 H PHE A 95 -7.194 4.304 5.352 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.646 3.088 2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.745 2.279 4.949 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.720 1.716 3.289 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.195 4.695 5.435 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.612 2.959 1.589 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.672 6.529 4.840 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.088 4.790 0.990 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.620 6.583 2.614 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.774 0.967 3.397 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.618 -0.162 3.772 1.00 0.00 C ATOM 1393 C LEU A 96 -9.062 -1.468 3.214 1.00 0.00 C ATOM 1394 O LEU A 96 -9.044 -1.679 2.001 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.046 0.054 3.268 1.00 0.00 C ATOM 1396 CG LEU A 96 -11.913 1.006 4.093 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.251 1.239 3.409 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.118 0.458 5.498 1.00 0.00 C ATOM 0 H LEU A 96 -8.601 1.049 2.395 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.629 -0.229 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.996 0.433 2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.545 -0.914 3.225 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.397 1.963 4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.854 1.919 4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.085 1.676 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.775 0.289 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.737 1.148 6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.612 -0.512 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.151 0.345 5.989 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.610 -2.342 4.107 1.00 0.00 N ATOM 1411 CA PHE A 97 -8.054 -3.629 3.704 1.00 0.00 C ATOM 1412 C PHE A 97 -9.161 -4.659 3.497 1.00 0.00 C ATOM 1413 O PHE A 97 -9.889 -5.000 4.429 1.00 0.00 O ATOM 1414 CB PHE A 97 -7.063 -4.132 4.756 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.966 -3.154 5.063 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -6.138 -2.184 6.038 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.763 -3.203 4.378 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -5.131 -1.282 6.323 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.752 -2.304 4.659 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.936 -1.342 5.632 1.00 0.00 C ATOM 0 H PHE A 97 -8.618 -2.183 5.114 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.530 -3.490 2.758 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.604 -4.358 5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.620 -5.065 4.409 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.070 -2.133 6.581 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.613 -3.953 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.278 -0.531 7.085 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.819 -2.354 4.118 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.147 -0.638 5.853 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.281 -5.149 2.268 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.300 -6.139 1.936 1.00 0.00 C ATOM 1432 C PHE A 98 -9.662 -7.415 1.394 1.00 0.00 C ATOM 1433 O PHE A 98 -9.085 -7.421 0.307 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.280 -5.569 0.909 1.00 0.00 C ATOM 1435 CG PHE A 98 -12.009 -4.347 1.390 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -12.900 -4.428 2.449 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.805 -3.118 0.784 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.572 -3.305 2.895 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.474 -1.993 1.225 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.360 -2.086 2.281 1.00 0.00 C ATOM 0 H PHE A 98 -8.686 -4.877 1.485 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.843 -6.385 2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.736 -5.322 -0.003 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -12.008 -6.337 0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.071 -5.379 2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -11.115 -3.039 -0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.262 -3.381 3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.305 -1.041 0.744 1.00 0.00 H new ATOM 0 HZ PHE A 98 -13.886 -1.208 2.626 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.771 -8.495 2.160 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.206 -9.778 1.758 1.00 0.00 C ATOM 1452 C LYS A 99 -10.307 -10.808 1.525 1.00 0.00 C ATOM 1453 O LYS A 99 -10.972 -11.243 2.464 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.235 -10.288 2.826 1.00 0.00 C ATOM 1455 CG LYS A 99 -6.805 -9.819 2.620 1.00 0.00 C ATOM 1456 CD LYS A 99 -5.808 -10.779 3.248 1.00 0.00 C ATOM 1457 CE LYS A 99 -4.527 -10.066 3.652 1.00 0.00 C ATOM 1458 NZ LYS A 99 -3.853 -10.742 4.795 1.00 0.00 N ATOM 0 H LYS A 99 -10.245 -8.508 3.063 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.665 -9.632 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.579 -9.958 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.254 -11.378 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.601 -9.728 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.680 -8.827 3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.256 -11.249 4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.575 -11.576 2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.848 -10.029 2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.755 -9.035 3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.846 -10.483 4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.298 -10.443 5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.944 -11.773 4.691 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.493 -11.193 0.267 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.513 -12.173 -0.090 1.00 0.00 C ATOM 1474 C ASN A 100 -12.911 -11.574 0.038 1.00 0.00 C ATOM 1475 O ASN A 100 -13.845 -12.241 0.482 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.394 -13.411 0.801 1.00 0.00 C ATOM 1477 CG ASN A 100 -12.137 -14.605 0.233 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -13.349 -14.737 0.407 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -11.412 -15.483 -0.451 1.00 0.00 N ATOM 0 H ASN A 100 -9.951 -10.842 -0.522 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.355 -12.464 -1.128 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.342 -13.667 0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.785 -13.181 1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -11.857 -16.306 -0.857 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -10.410 -15.334 -0.571 1.00 0.00 H new ATOM 1486 N SER A 101 -13.046 -10.311 -0.356 1.00 0.00 N ATOM 1487 CA SER A 101 -14.328 -9.621 -0.283 1.00 0.00 C ATOM 1488 C SER A 101 -14.816 -9.532 1.160 1.00 0.00 C ATOM 1489 O SER A 101 -16.013 -9.626 1.427 1.00 0.00 O ATOM 1490 CB SER A 101 -15.369 -10.341 -1.142 1.00 0.00 C ATOM 1491 OG SER A 101 -15.981 -11.397 -0.422 1.00 0.00 O ATOM 0 H SER A 101 -12.283 -9.746 -0.729 1.00 0.00 H new ATOM 0 HA SER A 101 -14.190 -8.609 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 101 -16.129 -9.631 -1.469 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.894 -10.736 -2.040 1.00 0.00 H new ATOM 0 HG SER A 101 -15.301 -12.054 -0.163 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.879 -9.351 2.085 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.213 -9.250 3.500 1.00 0.00 C ATOM 1499 C GLN A 102 -13.207 -8.371 4.236 1.00 0.00 C ATOM 1500 O GLN A 102 -12.021 -8.694 4.311 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.253 -10.641 4.137 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.305 -11.556 3.531 1.00 0.00 C ATOM 1503 CD GLN A 102 -15.761 -12.637 4.492 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -14.966 -13.470 4.929 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -17.046 -12.629 4.826 1.00 0.00 N ATOM 0 H GLN A 102 -12.883 -9.271 1.880 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.198 -8.791 3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.274 -11.108 4.033 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.445 -10.537 5.205 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.165 -10.961 3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -14.902 -12.021 2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.669 -11.920 4.440 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.410 -13.332 5.469 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.687 -7.257 4.778 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.831 -6.330 5.508 1.00 0.00 C ATOM 1516 C LYS A 103 -12.177 -7.019 6.702 1.00 0.00 C ATOM 1517 O LYS A 103 -12.860 -7.602 7.544 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.642 -5.122 5.984 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.783 -3.954 6.437 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.633 -2.761 6.842 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.229 -2.947 8.229 1.00 0.00 C ATOM 1522 NZ LYS A 103 -14.518 -1.643 8.888 1.00 0.00 N ATOM 0 H LYS A 103 -14.666 -6.974 4.725 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.046 -5.990 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.294 -4.791 5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.287 -5.429 6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.163 -4.262 7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.107 -3.664 5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.025 -1.857 6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.434 -2.620 6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.148 -3.528 8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.539 -3.521 8.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.923 -1.813 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -13.637 -1.099 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.196 -1.106 8.311 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.852 -6.946 6.768 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.108 -7.561 7.860 1.00 0.00 C ATOM 1538 C ILE A 104 -9.344 -6.513 8.663 1.00 0.00 C ATOM 1539 O ILE A 104 -9.099 -6.689 9.857 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.115 -8.617 7.340 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.070 -7.963 6.433 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -9.854 -9.719 6.598 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.828 -8.804 6.238 1.00 0.00 C ATOM 0 H ILE A 104 -10.272 -6.467 6.079 1.00 0.00 H new ATOM 0 HA ILE A 104 -10.839 -8.048 8.505 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.601 -9.062 8.192 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.519 -7.762 5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.784 -7.000 6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.138 -10.458 6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.563 -10.200 7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.392 -9.291 5.752 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.132 -8.278 5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.355 -8.983 7.203 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.101 -9.757 5.785 1.00 0.00 H new ATOM 1555 N ASP A 105 -8.974 -5.423 8.001 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.240 -4.344 8.654 1.00 0.00 C ATOM 1557 C ASP A 105 -8.692 -2.985 8.128 1.00 0.00 C ATOM 1558 O ASP A 105 -9.399 -2.900 7.124 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.736 -4.516 8.435 1.00 0.00 C ATOM 1560 CG ASP A 105 -5.919 -3.509 9.219 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -5.727 -3.720 10.435 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.471 -2.510 8.618 1.00 0.00 O ATOM 0 H ASP A 105 -9.170 -5.262 7.013 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.450 -4.388 9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.442 -5.524 8.727 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.512 -4.414 7.373 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.280 -1.924 8.815 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.644 -0.569 8.419 1.00 0.00 C ATOM 1569 C ARG A 106 -7.717 0.454 9.069 1.00 0.00 C ATOM 1570 O ARG A 106 -7.426 0.374 10.263 1.00 0.00 O ATOM 1571 CB ARG A 106 -10.095 -0.275 8.803 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.472 1.192 8.682 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.717 1.516 9.493 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.352 2.754 9.049 1.00 0.00 N ATOM 1575 CZ ARG A 106 -13.513 3.195 9.521 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -14.161 2.502 10.447 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -14.027 4.331 9.067 1.00 0.00 N ATOM 0 H ARG A 106 -7.694 -1.977 9.648 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.540 -0.493 7.337 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.756 -0.865 8.168 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.263 -0.601 9.829 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.643 1.811 9.024 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.644 1.439 7.634 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.428 0.694 9.410 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.451 1.602 10.547 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.878 3.311 8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.768 1.629 10.798 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -15.052 2.842 10.808 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.531 4.867 8.355 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.918 4.669 9.430 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.257 1.415 8.276 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.362 2.455 8.773 1.00 0.00 C ATOM 1593 C LEU A 107 -6.995 3.835 8.623 1.00 0.00 C ATOM 1594 O LEU A 107 -7.227 4.304 7.509 1.00 0.00 O ATOM 1595 CB LEU A 107 -5.029 2.409 8.025 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.809 2.916 8.795 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.540 2.703 7.986 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.977 4.386 9.151 1.00 0.00 C ATOM 0 H LEU A 107 -7.489 1.496 7.286 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.183 2.270 9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.840 1.379 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.127 2.996 7.112 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.724 2.346 9.720 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.683 3.070 8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.412 1.640 7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.614 3.246 7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.100 4.730 9.699 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.088 4.971 8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.864 4.511 9.772 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.270 4.480 9.751 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.873 5.808 9.746 1.00 0.00 C ATOM 1612 C ASP A 108 -6.833 6.878 10.064 1.00 0.00 C ATOM 1613 O ASP A 108 -6.111 6.781 11.055 1.00 0.00 O ATOM 1614 CB ASP A 108 -9.018 5.875 10.757 1.00 0.00 C ATOM 1615 CG ASP A 108 -8.532 5.784 12.190 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -8.282 4.655 12.661 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -8.401 6.842 12.841 1.00 0.00 O ATOM 0 H ASP A 108 -7.085 4.105 10.681 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.269 5.997 8.748 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.565 6.808 10.621 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.719 5.063 10.562 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.762 7.898 9.214 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.807 8.971 9.421 1.00 0.00 C ATOM 1624 C GLY A 109 -4.569 8.819 8.560 1.00 0.00 C ATOM 1625 O GLY A 109 -4.015 7.727 8.443 1.00 0.00 O ATOM 0 H GLY A 109 -7.349 8.000 8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.284 9.926 9.200 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.515 8.996 10.471 1.00 0.00 H new ATOM 1629 N ALA A 110 -4.134 9.919 7.953 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.954 9.904 7.098 1.00 0.00 C ATOM 1631 C ALA A 110 -1.723 9.438 7.868 1.00 0.00 C ATOM 1632 O ALA A 110 -1.211 10.153 8.730 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.716 11.284 6.503 1.00 0.00 C ATOM 0 H ALA A 110 -4.582 10.832 8.038 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.132 9.197 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.831 11.258 5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.582 11.579 5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.564 12.005 7.306 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.254 8.235 7.554 1.00 0.00 N ATOM 1640 CA HIS A 111 -0.082 7.674 8.217 1.00 0.00 C ATOM 1641 C HIS A 111 0.859 7.028 7.205 1.00 0.00 C ATOM 1642 O HIS A 111 0.496 6.062 6.534 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.508 6.644 9.265 1.00 0.00 C ATOM 1644 CG HIS A 111 -1.231 7.241 10.433 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -0.603 8.001 11.397 1.00 0.00 N ATOM 1646 CD2 HIS A 111 -2.536 7.189 10.787 1.00 0.00 C ATOM 1647 CE1 HIS A 111 -1.491 8.388 12.296 1.00 0.00 C ATOM 1648 NE2 HIS A 111 -2.672 7.909 11.948 1.00 0.00 N ATOM 0 H HIS A 111 -1.667 7.630 6.845 1.00 0.00 H new ATOM 0 HA HIS A 111 0.449 8.487 8.711 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.150 5.901 8.792 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.376 6.118 9.626 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.324 6.676 10.255 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.286 8.993 13.167 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.543 8.051 12.459 1.00 0.00 H new ATOM 1657 N ALA A 112 2.068 7.569 7.099 1.00 0.00 N ATOM 1658 CA ALA A 112 3.061 7.045 6.170 1.00 0.00 C ATOM 1659 C ALA A 112 3.550 5.668 6.608 1.00 0.00 C ATOM 1660 O ALA A 112 3.413 4.677 5.890 1.00 0.00 O ATOM 1661 CB ALA A 112 4.232 8.009 6.049 1.00 0.00 C ATOM 0 H ALA A 112 2.383 8.370 7.645 1.00 0.00 H new ATOM 0 HA ALA A 112 2.589 6.940 5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.966 7.604 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.875 8.971 5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.696 8.143 7.026 1.00 0.00 H new ATOM 1667 N PRO A 113 4.135 5.603 7.813 1.00 0.00 N ATOM 1668 CA PRO A 113 4.657 4.353 8.373 1.00 0.00 C ATOM 1669 C PRO A 113 3.546 3.379 8.751 1.00 0.00 C ATOM 1670 O PRO A 113 3.584 2.206 8.380 1.00 0.00 O ATOM 1671 CB PRO A 113 5.413 4.812 9.622 1.00 0.00 C ATOM 1672 CG PRO A 113 4.763 6.096 10.008 1.00 0.00 C ATOM 1673 CD PRO A 113 4.332 6.745 8.722 1.00 0.00 C ATOM 0 HA PRO A 113 5.277 3.813 7.657 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.340 4.075 10.422 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.474 4.952 9.414 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.909 5.920 10.662 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.456 6.735 10.555 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.415 7.320 8.850 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.089 7.433 8.345 1.00 0.00 H new ATOM 1681 N GLU A 114 2.558 3.873 9.490 1.00 0.00 N ATOM 1682 CA GLU A 114 1.436 3.045 9.918 1.00 0.00 C ATOM 1683 C GLU A 114 0.843 2.281 8.738 1.00 0.00 C ATOM 1684 O GLU A 114 0.429 1.129 8.875 1.00 0.00 O ATOM 1685 CB GLU A 114 0.357 3.909 10.575 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.444 3.177 11.639 1.00 0.00 C ATOM 1687 CD GLU A 114 0.435 2.546 12.700 1.00 0.00 C ATOM 1688 OE1 GLU A 114 1.099 3.298 13.444 1.00 0.00 O ATOM 1689 OE2 GLU A 114 0.460 1.301 12.788 1.00 0.00 O ATOM 0 H GLU A 114 2.511 4.842 9.805 1.00 0.00 H new ATOM 0 HA GLU A 114 1.807 2.324 10.646 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.827 4.784 11.024 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.324 4.273 9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.135 3.875 12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -1.048 2.403 11.165 1.00 0.00 H new ATOM 1696 N LEU A 115 0.804 2.930 7.580 1.00 0.00 N ATOM 1697 CA LEU A 115 0.261 2.313 6.375 1.00 0.00 C ATOM 1698 C LEU A 115 1.130 1.143 5.923 1.00 0.00 C ATOM 1699 O LEU A 115 0.676 -0.001 5.877 1.00 0.00 O ATOM 1700 CB LEU A 115 0.154 3.347 5.252 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.574 2.891 3.987 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -2.048 2.653 4.276 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.405 3.917 2.876 1.00 0.00 C ATOM 0 H LEU A 115 1.142 3.884 7.450 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.734 1.934 6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.356 4.227 5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.161 3.659 4.975 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.134 1.950 3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.550 2.329 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.149 1.882 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.503 3.577 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.929 3.576 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.819 4.873 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.655 4.038 2.650 1.00 0.00 H new ATOM 1715 N THR A 116 2.384 1.437 5.592 1.00 0.00 N ATOM 1716 CA THR A 116 3.317 0.411 5.146 1.00 0.00 C ATOM 1717 C THR A 116 3.222 -0.836 6.018 1.00 0.00 C ATOM 1718 O THR A 116 2.963 -1.934 5.525 1.00 0.00 O ATOM 1719 CB THR A 116 4.769 0.926 5.162 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.871 2.126 4.388 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.721 -0.123 4.608 1.00 0.00 C ATOM 0 H THR A 116 2.776 2.378 5.625 1.00 0.00 H new ATOM 0 HA THR A 116 3.041 0.157 4.123 1.00 0.00 H new ATOM 0 HB THR A 116 5.046 1.136 6.195 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.796 2.448 4.404 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.740 0.263 4.629 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.662 -1.025 5.217 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.444 -0.359 3.581 1.00 0.00 H new ATOM 1729 N LYS A 117 3.434 -0.659 7.318 1.00 0.00 N ATOM 1730 CA LYS A 117 3.371 -1.769 8.262 1.00 0.00 C ATOM 1731 C LYS A 117 2.166 -2.660 7.974 1.00 0.00 C ATOM 1732 O LYS A 117 2.315 -3.839 7.654 1.00 0.00 O ATOM 1733 CB LYS A 117 3.298 -1.243 9.697 1.00 0.00 C ATOM 1734 CG LYS A 117 4.481 -0.374 10.087 1.00 0.00 C ATOM 1735 CD LYS A 117 4.128 0.574 11.220 1.00 0.00 C ATOM 1736 CE LYS A 117 4.329 -0.081 12.578 1.00 0.00 C ATOM 1737 NZ LYS A 117 3.239 -1.044 12.896 1.00 0.00 N ATOM 0 H LYS A 117 3.651 0.243 7.742 1.00 0.00 H new ATOM 0 HA LYS A 117 4.277 -2.363 8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.380 -0.668 9.818 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.237 -2.088 10.382 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.315 -1.008 10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.813 0.200 9.222 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.745 1.470 11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.091 0.893 11.119 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.288 -0.600 12.593 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.371 0.688 13.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.110 -1.095 13.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.354 -0.726 12.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.490 -1.985 12.532 1.00 0.00 H new ATOM 1751 N LYS A 118 0.972 -2.088 8.089 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.259 -2.828 7.839 1.00 0.00 C ATOM 1753 C LYS A 118 -0.225 -3.493 6.466 1.00 0.00 C ATOM 1754 O LYS A 118 -0.635 -4.643 6.312 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.468 -1.895 7.936 1.00 0.00 C ATOM 1756 CG LYS A 118 -1.855 -1.547 9.362 1.00 0.00 C ATOM 1757 CD LYS A 118 -2.854 -0.403 9.406 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.560 -0.330 10.751 1.00 0.00 C ATOM 1759 NZ LYS A 118 -4.615 -1.373 10.881 1.00 0.00 N ATOM 0 H LYS A 118 0.831 -1.113 8.354 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.346 -3.606 8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.251 -0.975 7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.319 -2.364 7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.283 -2.424 9.848 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -0.963 -1.274 9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.339 0.538 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.591 -0.532 8.614 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -2.830 -0.450 11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -4.007 0.656 10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.215 -1.159 11.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.198 -1.386 10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.169 -2.303 11.011 1.00 0.00 H new ATOM 1773 N VAL A 119 0.269 -2.762 5.472 1.00 0.00 N ATOM 1774 CA VAL A 119 0.359 -3.282 4.113 1.00 0.00 C ATOM 1775 C VAL A 119 1.206 -4.548 4.064 1.00 0.00 C ATOM 1776 O VAL A 119 0.723 -5.615 3.686 1.00 0.00 O ATOM 1777 CB VAL A 119 0.960 -2.238 3.152 1.00 0.00 C ATOM 1778 CG1 VAL A 119 1.102 -2.820 1.753 1.00 0.00 C ATOM 1779 CG2 VAL A 119 0.105 -0.980 3.131 1.00 0.00 C ATOM 0 H VAL A 119 0.613 -1.808 5.582 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.657 -3.516 3.795 1.00 0.00 H new ATOM 0 HB VAL A 119 1.954 -1.968 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.528 -2.069 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.758 -3.690 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.122 -3.119 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.544 -0.253 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -0.902 -1.230 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.060 -0.554 4.133 1.00 0.00 H new ATOM 1789 N GLN A 120 2.472 -4.422 4.449 1.00 0.00 N ATOM 1790 CA GLN A 120 3.387 -5.558 4.449 1.00 0.00 C ATOM 1791 C GLN A 120 2.790 -6.737 5.210 1.00 0.00 C ATOM 1792 O GLN A 120 2.724 -7.853 4.693 1.00 0.00 O ATOM 1793 CB GLN A 120 4.727 -5.161 5.069 1.00 0.00 C ATOM 1794 CG GLN A 120 5.485 -4.118 4.263 1.00 0.00 C ATOM 1795 CD GLN A 120 6.939 -4.004 4.678 1.00 0.00 C ATOM 1796 OE1 GLN A 120 7.260 -4.007 5.867 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.828 -3.902 3.697 1.00 0.00 N ATOM 0 H GLN A 120 2.887 -3.546 4.765 1.00 0.00 H new ATOM 0 HA GLN A 120 3.550 -5.861 3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.553 -4.776 6.074 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.348 -6.051 5.172 1.00 0.00 H new ATOM 0 HG2 GLN A 120 5.432 -4.373 3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.000 -3.149 4.382 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.518 -3.904 2.725 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.821 -3.822 3.915 1.00 0.00 H new ATOM 1806 N ARG A 121 2.358 -6.483 6.440 1.00 0.00 N ATOM 1807 CA ARG A 121 1.768 -7.524 7.273 1.00 0.00 C ATOM 1808 C ARG A 121 0.634 -8.232 6.537 1.00 0.00 C ATOM 1809 O ARG A 121 0.704 -9.434 6.277 1.00 0.00 O ATOM 1810 CB ARG A 121 1.247 -6.927 8.581 1.00 0.00 C ATOM 1811 CG ARG A 121 0.603 -7.949 9.504 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.227 -7.277 10.587 1.00 0.00 C ATOM 1813 NE ARG A 121 -1.135 -8.215 11.242 1.00 0.00 N ATOM 1814 CZ ARG A 121 -2.122 -7.841 12.048 1.00 0.00 C ATOM 1815 NH1 ARG A 121 -2.328 -6.555 12.296 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -2.906 -8.754 12.606 1.00 0.00 N ATOM 0 H ARG A 121 2.405 -5.565 6.882 1.00 0.00 H new ATOM 0 HA ARG A 121 2.544 -8.256 7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.073 -6.446 9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.519 -6.149 8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.030 -8.619 8.922 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.377 -8.563 9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.437 -6.836 11.331 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.802 -6.461 10.149 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.004 -9.212 11.071 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.728 -5.850 11.867 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.087 -6.270 12.915 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.751 -9.744 12.416 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.664 -8.466 13.225 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.410 -7.480 6.206 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.559 -8.035 5.500 1.00 0.00 C ATOM 1832 C HIS A 122 -1.159 -8.524 4.111 1.00 0.00 C ATOM 1833 O HIS A 122 -1.914 -9.239 3.453 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.668 -6.989 5.385 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.090 -6.417 6.703 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.514 -7.194 7.761 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.150 -5.134 7.133 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -3.818 -6.415 8.783 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.605 -5.160 8.428 1.00 0.00 N ATOM 0 H HIS A 122 -0.484 -6.484 6.415 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.930 -8.885 6.073 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.327 -6.180 4.739 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.534 -7.441 4.900 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -3.582 -8.212 7.755 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -2.889 -4.254 6.563 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.179 -6.747 9.745 1.00 0.00 H new ATOM 1848 N ALA A 123 0.032 -8.132 3.671 1.00 0.00 N ATOM 1849 CA ALA A 123 0.532 -8.532 2.362 1.00 0.00 C ATOM 1850 C ALA A 123 1.379 -9.796 2.460 1.00 0.00 C ATOM 1851 O ALA A 123 2.213 -10.064 1.595 1.00 0.00 O ATOM 1852 CB ALA A 123 1.338 -7.402 1.738 1.00 0.00 C ATOM 0 H ALA A 123 0.668 -7.538 4.202 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.325 -8.749 1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.706 -7.714 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.704 -6.523 1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.183 -7.159 2.383 1.00 0.00 H new