USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 560 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 MET CE :methyl 176:sc= -0.211 (180deg=-0.269) USER MOD Set 2.1: A 17 GLN : amide:sc= 1.05 K(o=2.4,f=-6.9!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 174:sc= 1.3 (180deg=0) USER MOD Set 3.1: A 23 ASN : amide:sc= 1.03 K(o=1.9,f=0) USER MOD Set 3.2: A 24 ASN : amide:sc= 0.893 K(o=1.9,f=-0.29) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0386 USER MOD Single : A 42 GLN : amide:sc= -3.04! C(o=-3!,f=-6.7!) USER MOD Single : A 44 THR OG1 : rot -85:sc= 1.23 USER MOD Single : A 48 THR OG1 : rot 61:sc= -0.674 USER MOD Single : A 49 SER OG : rot -59:sc= -1.07! USER MOD Single : A 53 TYR OH : rot -137:sc= 1.27 USER MOD Single : A 59 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.4) USER MOD Single : A 67 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.7!) USER MOD Single : B 81 GLN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : B 84 MET CE :methyl 174:sc= -0.407 (180deg=-0.466) USER MOD Single : B 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 86 HIS : no HD1:sc= -2.82! C(o=-2.8!,f=-3.3!) USER MOD Single : B 90 HIS :FLIP no HE2:sc=-0.00869 F(o=-0.78,f=-0.0087) USER MOD Single : B 93 GLN : amide:sc= -0.197 K(o=-0.2,f=-1) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -0.523 10.571 -2.403 1.00 0.00 N ATOM 169 CA VAL A 12 -0.519 9.286 -1.695 1.00 0.00 C ATOM 170 C VAL A 12 0.784 9.065 -0.902 1.00 0.00 C ATOM 171 O VAL A 12 0.866 8.177 -0.052 1.00 0.00 O ATOM 172 CB VAL A 12 -0.764 8.111 -2.672 1.00 0.00 C ATOM 173 CG1 VAL A 12 -0.921 6.792 -1.934 1.00 0.00 C ATOM 174 CG2 VAL A 12 -1.988 8.387 -3.533 1.00 0.00 C ATOM 0 HA VAL A 12 -1.339 9.318 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 12 0.111 8.026 -3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.091 5.991 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.015 6.583 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.770 6.855 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.148 7.552 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.863 8.507 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.831 9.300 -4.107 1.00 0.00 H new ATOM 184 N GLY A 13 1.781 9.911 -1.149 1.00 0.00 N ATOM 185 CA GLY A 13 3.093 9.702 -0.568 1.00 0.00 C ATOM 186 C GLY A 13 3.787 8.538 -1.239 1.00 0.00 C ATOM 187 O GLY A 13 4.624 7.865 -0.642 1.00 0.00 O ATOM 0 H GLY A 13 1.702 10.737 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.694 10.604 -0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.998 9.510 0.501 1.00 0.00 H new ATOM 191 N TRP A 14 3.418 8.308 -2.492 1.00 0.00 N ATOM 192 CA TRP A 14 3.874 7.150 -3.235 1.00 0.00 C ATOM 193 C TRP A 14 4.504 7.559 -4.563 1.00 0.00 C ATOM 194 O TRP A 14 4.039 8.488 -5.228 1.00 0.00 O ATOM 195 CB TRP A 14 2.682 6.212 -3.467 1.00 0.00 C ATOM 196 CG TRP A 14 2.948 5.094 -4.426 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.561 3.906 -4.156 1.00 0.00 C ATOM 198 CD2 TRP A 14 2.596 5.058 -5.813 1.00 0.00 C ATOM 199 NE1 TRP A 14 3.615 3.133 -5.289 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.026 3.820 -6.320 1.00 0.00 C ATOM 201 CE3 TRP A 14 1.954 5.954 -6.669 1.00 0.00 C ATOM 202 CZ2 TRP A 14 2.840 3.460 -7.651 1.00 0.00 C ATOM 203 CZ3 TRP A 14 1.772 5.594 -7.990 1.00 0.00 C ATOM 204 CH2 TRP A 14 2.211 4.355 -8.469 1.00 0.00 C ATOM 0 H TRP A 14 2.795 8.921 -3.018 1.00 0.00 H new ATOM 0 HA TRP A 14 4.642 6.634 -2.659 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.378 5.788 -2.510 1.00 0.00 H new ATOM 0 HB3 TRP A 14 1.841 6.799 -3.837 1.00 0.00 H new ATOM 0 HD1 TRP A 14 3.948 3.615 -3.190 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.025 2.201 -5.354 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.606 6.910 -6.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.181 2.506 -8.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.282 6.281 -8.665 1.00 0.00 H new ATOM 0 HH2 TRP A 14 2.049 4.101 -9.506 1.00 0.00 H new ATOM 215 N ASP A 15 5.575 6.873 -4.926 1.00 0.00 N ATOM 216 CA ASP A 15 6.204 7.041 -6.227 1.00 0.00 C ATOM 217 C ASP A 15 6.281 5.696 -6.928 1.00 0.00 C ATOM 218 O ASP A 15 6.761 4.729 -6.345 1.00 0.00 O ATOM 219 CB ASP A 15 7.604 7.641 -6.091 1.00 0.00 C ATOM 220 CG ASP A 15 7.579 9.150 -5.964 1.00 0.00 C ATOM 221 OD1 ASP A 15 7.485 9.647 -4.823 1.00 0.00 O ATOM 222 OD2 ASP A 15 7.652 9.846 -6.996 1.00 0.00 O ATOM 0 H ASP A 15 6.033 6.185 -4.329 1.00 0.00 H new ATOM 0 HA ASP A 15 5.600 7.730 -6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.095 7.214 -5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.201 7.363 -6.959 1.00 0.00 H new ATOM 227 N PRO A 16 5.818 5.624 -8.186 1.00 0.00 N ATOM 228 CA PRO A 16 5.660 4.361 -8.926 1.00 0.00 C ATOM 229 C PRO A 16 6.833 3.392 -8.789 1.00 0.00 C ATOM 230 O PRO A 16 6.634 2.200 -8.556 1.00 0.00 O ATOM 231 CB PRO A 16 5.522 4.830 -10.371 1.00 0.00 C ATOM 232 CG PRO A 16 4.870 6.162 -10.263 1.00 0.00 C ATOM 233 CD PRO A 16 5.401 6.784 -8.998 1.00 0.00 C ATOM 0 HA PRO A 16 4.815 3.789 -8.544 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.493 4.901 -10.861 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.918 4.138 -10.958 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.102 6.781 -11.129 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.785 6.063 -10.223 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.238 7.452 -9.201 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.638 7.374 -8.491 1.00 0.00 H new ATOM 241 N GLN A 17 8.047 3.900 -8.924 1.00 0.00 N ATOM 242 CA GLN A 17 9.227 3.043 -8.935 1.00 0.00 C ATOM 243 C GLN A 17 9.978 3.090 -7.604 1.00 0.00 C ATOM 244 O GLN A 17 10.951 2.358 -7.406 1.00 0.00 O ATOM 245 CB GLN A 17 10.154 3.459 -10.067 1.00 0.00 C ATOM 246 CG GLN A 17 9.458 3.568 -11.414 1.00 0.00 C ATOM 247 CD GLN A 17 8.946 2.239 -11.935 1.00 0.00 C ATOM 248 OE1 GLN A 17 7.806 1.851 -11.678 1.00 0.00 O ATOM 249 NE2 GLN A 17 9.781 1.535 -12.680 1.00 0.00 N ATOM 0 H GLN A 17 8.244 4.896 -9.027 1.00 0.00 H new ATOM 0 HA GLN A 17 8.892 2.017 -9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.605 4.420 -9.822 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.966 2.736 -10.144 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.622 4.263 -11.328 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.152 3.992 -12.140 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.718 1.890 -12.871 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.488 0.637 -13.064 1.00 0.00 H new ATOM 258 N ASN A 18 9.528 3.942 -6.693 1.00 0.00 N ATOM 259 CA ASN A 18 10.218 4.119 -5.415 1.00 0.00 C ATOM 260 C ASN A 18 9.426 3.508 -4.270 1.00 0.00 C ATOM 261 O ASN A 18 10.004 2.965 -3.328 1.00 0.00 O ATOM 262 CB ASN A 18 10.479 5.598 -5.128 1.00 0.00 C ATOM 263 CG ASN A 18 11.491 6.207 -6.078 1.00 0.00 C ATOM 264 OD1 ASN A 18 11.136 6.710 -7.144 1.00 0.00 O ATOM 265 ND2 ASN A 18 12.760 6.173 -5.695 1.00 0.00 N ATOM 0 H ASN A 18 8.695 4.519 -6.810 1.00 0.00 H new ATOM 0 HA ASN A 18 11.174 3.602 -5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.541 6.149 -5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.836 5.708 -4.104 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.484 6.573 -6.292 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.012 5.747 -4.803 1.00 0.00 H new ATOM 272 N GLY A 19 8.109 3.602 -4.353 1.00 0.00 N ATOM 273 CA GLY A 19 7.257 3.040 -3.332 1.00 0.00 C ATOM 274 C GLY A 19 6.596 4.100 -2.479 1.00 0.00 C ATOM 275 O GLY A 19 6.551 5.272 -2.854 1.00 0.00 O ATOM 0 H GLY A 19 7.613 4.062 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.489 2.426 -3.802 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.846 2.381 -2.694 1.00 0.00 H new ATOM 279 N PHE A 20 6.083 3.678 -1.334 1.00 0.00 N ATOM 280 CA PHE A 20 5.455 4.577 -0.380 1.00 0.00 C ATOM 281 C PHE A 20 6.502 5.126 0.572 1.00 0.00 C ATOM 282 O PHE A 20 7.319 4.375 1.110 1.00 0.00 O ATOM 283 CB PHE A 20 4.375 3.852 0.434 1.00 0.00 C ATOM 284 CG PHE A 20 3.150 3.469 -0.347 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.094 4.356 -0.474 1.00 0.00 C ATOM 286 CD2 PHE A 20 3.048 2.224 -0.944 1.00 0.00 C ATOM 287 CE1 PHE A 20 0.962 4.007 -1.182 1.00 0.00 C ATOM 288 CE2 PHE A 20 1.917 1.871 -1.652 1.00 0.00 C ATOM 289 CZ PHE A 20 0.874 2.764 -1.772 1.00 0.00 C ATOM 0 H PHE A 20 6.091 2.701 -1.040 1.00 0.00 H new ATOM 0 HA PHE A 20 4.989 5.389 -0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.809 2.951 0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.075 4.491 1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.157 5.331 -0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.863 1.521 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.145 4.707 -1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.849 0.896 -2.112 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.011 2.490 -2.327 1.00 0.00 H new ATOM 299 N ASP A 21 6.478 6.430 0.782 1.00 0.00 N ATOM 300 CA ASP A 21 7.380 7.058 1.731 1.00 0.00 C ATOM 301 C ASP A 21 6.861 6.813 3.139 1.00 0.00 C ATOM 302 O ASP A 21 6.209 7.666 3.720 1.00 0.00 O ATOM 303 CB ASP A 21 7.488 8.563 1.464 1.00 0.00 C ATOM 304 CG ASP A 21 8.681 9.200 2.152 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.698 9.277 3.398 1.00 0.00 O ATOM 306 OD2 ASP A 21 9.620 9.627 1.443 1.00 0.00 O ATOM 0 H ASP A 21 5.844 7.074 0.309 1.00 0.00 H new ATOM 0 HA ASP A 21 8.374 6.625 1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.561 8.732 0.390 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.575 9.053 1.802 1.00 0.00 H new ATOM 311 N VAL A 22 7.144 5.621 3.656 1.00 0.00 N ATOM 312 CA VAL A 22 6.677 5.173 4.977 1.00 0.00 C ATOM 313 C VAL A 22 6.979 6.199 6.079 1.00 0.00 C ATOM 314 O VAL A 22 6.272 6.263 7.084 1.00 0.00 O ATOM 315 CB VAL A 22 7.321 3.800 5.322 1.00 0.00 C ATOM 316 CG1 VAL A 22 8.834 3.855 5.170 1.00 0.00 C ATOM 317 CG2 VAL A 22 6.950 3.330 6.722 1.00 0.00 C ATOM 0 H VAL A 22 7.710 4.926 3.169 1.00 0.00 H new ATOM 0 HA VAL A 22 5.593 5.068 4.929 1.00 0.00 H new ATOM 0 HB VAL A 22 6.921 3.076 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.260 2.883 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.087 4.111 4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.240 4.610 5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.422 2.367 6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.295 4.060 7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.868 3.225 6.796 1.00 0.00 H new ATOM 327 N ASN A 23 8.004 7.015 5.881 1.00 0.00 N ATOM 328 CA ASN A 23 8.346 8.046 6.854 1.00 0.00 C ATOM 329 C ASN A 23 7.279 9.141 6.873 1.00 0.00 C ATOM 330 O ASN A 23 6.896 9.630 7.934 1.00 0.00 O ATOM 331 CB ASN A 23 9.716 8.646 6.539 1.00 0.00 C ATOM 332 CG ASN A 23 10.127 9.710 7.539 1.00 0.00 C ATOM 333 OD1 ASN A 23 10.692 9.406 8.589 1.00 0.00 O ATOM 334 ND2 ASN A 23 9.853 10.963 7.215 1.00 0.00 N ATOM 0 H ASN A 23 8.611 6.985 5.062 1.00 0.00 H new ATOM 0 HA ASN A 23 8.387 7.585 7.841 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.463 7.853 6.530 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.698 9.079 5.539 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.112 11.721 7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.383 11.171 6.334 1.00 0.00 H new ATOM 341 N ASN A 24 6.793 9.498 5.695 1.00 0.00 N ATOM 342 CA ASN A 24 5.755 10.513 5.553 1.00 0.00 C ATOM 343 C ASN A 24 4.515 9.873 4.951 1.00 0.00 C ATOM 344 O ASN A 24 3.872 10.423 4.054 1.00 0.00 O ATOM 345 CB ASN A 24 6.239 11.665 4.666 1.00 0.00 C ATOM 346 CG ASN A 24 7.425 12.400 5.258 1.00 0.00 C ATOM 347 OD1 ASN A 24 8.580 12.085 4.964 1.00 0.00 O ATOM 348 ND2 ASN A 24 7.151 13.377 6.104 1.00 0.00 N ATOM 0 H ASN A 24 7.104 9.095 4.811 1.00 0.00 H new ATOM 0 HA ASN A 24 5.518 10.922 6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.512 11.274 3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.421 12.368 4.512 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.909 13.902 6.540 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.181 13.607 6.321 1.00 0.00 H new ATOM 355 N LEU A 25 4.202 8.696 5.463 1.00 0.00 N ATOM 356 CA LEU A 25 3.161 7.861 4.926 1.00 0.00 C ATOM 357 C LEU A 25 1.890 8.011 5.762 1.00 0.00 C ATOM 358 O LEU A 25 1.937 8.008 6.994 1.00 0.00 O ATOM 359 CB LEU A 25 3.708 6.427 4.895 1.00 0.00 C ATOM 360 CG LEU A 25 2.827 5.354 5.484 1.00 0.00 C ATOM 361 CD1 LEU A 25 1.726 4.999 4.514 1.00 0.00 C ATOM 362 CD2 LEU A 25 3.634 4.121 5.842 1.00 0.00 C ATOM 0 H LEU A 25 4.674 8.295 6.273 1.00 0.00 H new ATOM 0 HA LEU A 25 2.881 8.149 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.917 6.165 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.660 6.414 5.425 1.00 0.00 H new ATOM 0 HG LEU A 25 2.382 5.741 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.095 4.223 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.124 5.884 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.163 4.633 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.973 3.364 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.112 3.726 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.397 4.386 6.574 1.00 0.00 H new ATOM 374 N ASP A 26 0.767 8.177 5.065 1.00 0.00 N ATOM 375 CA ASP A 26 -0.527 8.469 5.688 1.00 0.00 C ATOM 376 C ASP A 26 -0.893 7.436 6.756 1.00 0.00 C ATOM 377 O ASP A 26 -0.796 6.229 6.535 1.00 0.00 O ATOM 378 CB ASP A 26 -1.617 8.511 4.614 1.00 0.00 C ATOM 379 CG ASP A 26 -2.946 9.005 5.149 1.00 0.00 C ATOM 380 OD1 ASP A 26 -3.701 8.187 5.717 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.245 10.208 5.007 1.00 0.00 O ATOM 0 H ASP A 26 0.727 8.113 4.048 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.449 9.439 6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.294 9.159 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.747 7.513 4.195 1.00 0.00 H new ATOM 386 N PRO A 27 -1.316 7.935 7.935 1.00 0.00 N ATOM 387 CA PRO A 27 -1.668 7.112 9.107 1.00 0.00 C ATOM 388 C PRO A 27 -2.695 6.019 8.812 1.00 0.00 C ATOM 389 O PRO A 27 -2.589 4.911 9.342 1.00 0.00 O ATOM 390 CB PRO A 27 -2.256 8.127 10.091 1.00 0.00 C ATOM 391 CG PRO A 27 -1.649 9.428 9.709 1.00 0.00 C ATOM 392 CD PRO A 27 -1.469 9.377 8.218 1.00 0.00 C ATOM 0 HA PRO A 27 -0.796 6.572 9.475 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.343 8.162 10.019 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.013 7.865 11.121 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.293 10.259 9.996 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.694 9.576 10.213 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.328 9.799 7.696 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.593 9.943 7.900 1.00 0.00 H new ATOM 400 N ASP A 28 -3.691 6.319 7.981 1.00 0.00 N ATOM 401 CA ASP A 28 -4.713 5.328 7.650 1.00 0.00 C ATOM 402 C ASP A 28 -4.131 4.252 6.750 1.00 0.00 C ATOM 403 O ASP A 28 -4.452 3.071 6.889 1.00 0.00 O ATOM 404 CB ASP A 28 -5.936 5.963 6.980 1.00 0.00 C ATOM 405 CG ASP A 28 -6.944 6.506 7.977 1.00 0.00 C ATOM 406 OD1 ASP A 28 -7.406 5.736 8.846 1.00 0.00 O ATOM 407 OD2 ASP A 28 -7.302 7.703 7.877 1.00 0.00 O ATOM 0 H ASP A 28 -3.812 7.226 7.530 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.045 4.880 8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.607 6.772 6.328 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.423 5.221 6.347 1.00 0.00 H new ATOM 412 N LEU A 29 -3.261 4.658 5.835 1.00 0.00 N ATOM 413 CA LEU A 29 -2.562 3.708 4.988 1.00 0.00 C ATOM 414 C LEU A 29 -1.652 2.833 5.836 1.00 0.00 C ATOM 415 O LEU A 29 -1.595 1.618 5.654 1.00 0.00 O ATOM 416 CB LEU A 29 -1.746 4.439 3.928 1.00 0.00 C ATOM 417 CG LEU A 29 -2.558 5.282 2.949 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.621 6.018 2.009 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.534 4.410 2.169 1.00 0.00 C ATOM 0 H LEU A 29 -3.025 5.635 5.663 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.297 3.079 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.026 5.086 4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.174 3.704 3.362 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.140 6.014 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.204 6.619 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.963 6.668 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.022 5.296 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.103 5.030 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.981 3.656 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.217 3.919 2.862 1.00 0.00 H new ATOM 431 N ARG A 30 -0.958 3.463 6.778 1.00 0.00 N ATOM 432 CA ARG A 30 -0.097 2.753 7.716 1.00 0.00 C ATOM 433 C ARG A 30 -0.903 1.689 8.460 1.00 0.00 C ATOM 434 O ARG A 30 -0.434 0.567 8.661 1.00 0.00 O ATOM 435 CB ARG A 30 0.543 3.758 8.690 1.00 0.00 C ATOM 436 CG ARG A 30 1.553 3.166 9.671 1.00 0.00 C ATOM 437 CD ARG A 30 0.878 2.594 10.907 1.00 0.00 C ATOM 438 NE ARG A 30 1.846 2.123 11.897 1.00 0.00 N ATOM 439 CZ ARG A 30 1.543 1.295 12.897 1.00 0.00 C ATOM 440 NH1 ARG A 30 0.306 0.831 13.029 1.00 0.00 N ATOM 441 NH2 ARG A 30 2.474 0.944 13.770 1.00 0.00 N ATOM 0 H ARG A 30 -0.976 4.474 6.912 1.00 0.00 H new ATOM 0 HA ARG A 30 0.702 2.248 7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.039 4.536 8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.250 4.242 9.259 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.124 2.382 9.174 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.263 3.937 9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.242 3.356 11.357 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.229 1.769 10.615 1.00 0.00 H new ATOM 0 HE ARG A 30 2.810 2.447 11.818 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.416 1.108 12.364 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.078 0.198 13.795 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.423 1.307 13.677 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.243 0.311 14.535 1.00 0.00 H new ATOM 455 N SER A 31 -2.122 2.049 8.850 1.00 0.00 N ATOM 456 CA SER A 31 -3.035 1.114 9.492 1.00 0.00 C ATOM 457 C SER A 31 -3.301 -0.083 8.583 1.00 0.00 C ATOM 458 O SER A 31 -3.191 -1.235 9.000 1.00 0.00 O ATOM 459 CB SER A 31 -4.361 1.814 9.818 1.00 0.00 C ATOM 460 OG SER A 31 -5.249 0.950 10.509 1.00 0.00 O ATOM 0 H SER A 31 -2.501 2.989 8.731 1.00 0.00 H new ATOM 0 HA SER A 31 -2.574 0.762 10.415 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.167 2.699 10.424 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.829 2.156 8.895 1.00 0.00 H new ATOM 0 HG SER A 31 -6.083 1.426 10.703 1.00 0.00 H new ATOM 466 N LEU A 32 -3.635 0.214 7.335 1.00 0.00 N ATOM 467 CA LEU A 32 -4.017 -0.802 6.368 1.00 0.00 C ATOM 468 C LEU A 32 -2.874 -1.753 6.056 1.00 0.00 C ATOM 469 O LEU A 32 -3.005 -2.971 6.178 1.00 0.00 O ATOM 470 CB LEU A 32 -4.465 -0.139 5.070 1.00 0.00 C ATOM 471 CG LEU A 32 -4.808 -1.114 3.951 1.00 0.00 C ATOM 472 CD1 LEU A 32 -5.916 -2.045 4.389 1.00 0.00 C ATOM 473 CD2 LEU A 32 -5.209 -0.375 2.690 1.00 0.00 C ATOM 0 H LEU A 32 -3.648 1.165 6.966 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.832 -1.375 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.338 0.481 5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.675 0.528 4.725 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.918 -1.704 3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.151 -2.736 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.593 -2.608 5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.803 -1.463 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.449 -1.095 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.083 0.244 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.384 0.258 2.361 1.00 0.00 H new ATOM 485 N PHE A 33 -1.759 -1.185 5.643 1.00 0.00 N ATOM 486 CA PHE A 33 -0.639 -1.966 5.143 1.00 0.00 C ATOM 487 C PHE A 33 -0.096 -2.903 6.217 1.00 0.00 C ATOM 488 O PHE A 33 0.271 -4.043 5.931 1.00 0.00 O ATOM 489 CB PHE A 33 0.460 -1.038 4.627 1.00 0.00 C ATOM 490 CG PHE A 33 -0.015 -0.044 3.592 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.146 -0.316 2.839 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.655 1.160 3.372 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.602 0.578 1.893 1.00 0.00 C ATOM 494 CE2 PHE A 33 0.199 2.057 2.426 1.00 0.00 C ATOM 495 CZ PHE A 33 -0.851 1.808 1.689 1.00 0.00 C ATOM 0 H PHE A 33 -1.601 -0.177 5.643 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.994 -2.582 4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.888 -0.494 5.469 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.260 -1.641 4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.679 -1.242 2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.539 1.393 3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.493 0.371 1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.725 2.991 2.292 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.160 2.512 0.931 1.00 0.00 H new ATOM 505 N SER A 34 -0.085 -2.430 7.458 1.00 0.00 N ATOM 506 CA SER A 34 0.358 -3.240 8.586 1.00 0.00 C ATOM 507 C SER A 34 -0.555 -4.453 8.780 1.00 0.00 C ATOM 508 O SER A 34 -0.131 -5.490 9.292 1.00 0.00 O ATOM 509 CB SER A 34 0.395 -2.386 9.857 1.00 0.00 C ATOM 510 OG SER A 34 0.719 -3.157 11.008 1.00 0.00 O ATOM 0 H SER A 34 -0.379 -1.486 7.709 1.00 0.00 H new ATOM 0 HA SER A 34 1.363 -3.608 8.377 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.128 -1.589 9.737 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.574 -1.909 10.001 1.00 0.00 H new ATOM 0 HG SER A 34 0.734 -2.576 11.797 1.00 0.00 H new ATOM 516 N ARG A 35 -1.802 -4.321 8.355 1.00 0.00 N ATOM 517 CA ARG A 35 -2.768 -5.402 8.472 1.00 0.00 C ATOM 518 C ARG A 35 -2.584 -6.415 7.349 1.00 0.00 C ATOM 519 O ARG A 35 -2.746 -7.615 7.550 1.00 0.00 O ATOM 520 CB ARG A 35 -4.188 -4.847 8.451 1.00 0.00 C ATOM 521 CG ARG A 35 -4.559 -4.146 9.736 1.00 0.00 C ATOM 522 CD ARG A 35 -5.757 -3.230 9.554 1.00 0.00 C ATOM 523 NE ARG A 35 -5.964 -2.375 10.720 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.158 -2.068 11.225 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.270 -2.567 10.695 1.00 0.00 N ATOM 526 NH2 ARG A 35 -7.234 -1.263 12.273 1.00 0.00 N ATOM 0 H ARG A 35 -2.170 -3.473 7.924 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.601 -5.908 9.423 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.289 -4.150 7.619 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.889 -5.662 8.271 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.782 -4.888 10.503 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.708 -3.565 10.092 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.610 -2.610 8.669 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.650 -3.829 9.379 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.139 -1.987 11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.216 -3.193 9.892 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.178 -2.324 11.092 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.383 -0.883 12.687 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.144 -1.022 12.666 1.00 0.00 H new ATOM 540 N ALA A 36 -2.226 -5.918 6.170 1.00 0.00 N ATOM 541 CA ALA A 36 -2.069 -6.766 4.993 1.00 0.00 C ATOM 542 C ALA A 36 -0.802 -7.609 5.080 1.00 0.00 C ATOM 543 O ALA A 36 -0.736 -8.700 4.516 1.00 0.00 O ATOM 544 CB ALA A 36 -2.044 -5.924 3.727 1.00 0.00 C ATOM 0 H ALA A 36 -2.038 -4.929 6.003 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.925 -7.439 4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.926 -6.574 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.978 -5.369 3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.209 -5.224 3.772 1.00 0.00 H new ATOM 550 N GLY A 37 0.201 -7.101 5.781 1.00 0.00 N ATOM 551 CA GLY A 37 1.468 -7.800 5.862 1.00 0.00 C ATOM 552 C GLY A 37 2.581 -7.023 5.197 1.00 0.00 C ATOM 553 O GLY A 37 3.740 -7.436 5.220 1.00 0.00 O ATOM 0 H GLY A 37 0.161 -6.220 6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.721 -7.974 6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.375 -8.778 5.389 1.00 0.00 H new ATOM 557 N ILE A 38 2.213 -5.900 4.601 1.00 0.00 N ATOM 558 CA ILE A 38 3.155 -5.022 3.935 1.00 0.00 C ATOM 559 C ILE A 38 4.164 -4.448 4.925 1.00 0.00 C ATOM 560 O ILE A 38 3.801 -3.706 5.837 1.00 0.00 O ATOM 561 CB ILE A 38 2.406 -3.870 3.244 1.00 0.00 C ATOM 562 CG1 ILE A 38 1.292 -4.429 2.360 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.367 -3.030 2.422 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.305 -3.389 1.898 1.00 0.00 C ATOM 0 H ILE A 38 1.248 -5.573 4.567 1.00 0.00 H new ATOM 0 HA ILE A 38 3.692 -5.609 3.190 1.00 0.00 H new ATOM 0 HB ILE A 38 1.961 -3.231 4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.738 -4.907 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.759 -5.204 2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.821 -2.219 1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.135 -2.613 3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.837 -3.654 1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.456 -3.860 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.170 -2.928 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.825 -2.625 1.320 1.00 0.00 H new ATOM 576 N SER A 39 5.425 -4.810 4.747 1.00 0.00 N ATOM 577 CA SER A 39 6.487 -4.323 5.609 1.00 0.00 C ATOM 578 C SER A 39 7.061 -3.015 5.077 1.00 0.00 C ATOM 579 O SER A 39 6.633 -2.523 4.030 1.00 0.00 O ATOM 580 CB SER A 39 7.605 -5.358 5.706 1.00 0.00 C ATOM 581 OG SER A 39 8.214 -5.556 4.439 1.00 0.00 O ATOM 0 H SER A 39 5.737 -5.442 4.010 1.00 0.00 H new ATOM 0 HA SER A 39 6.063 -4.148 6.598 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.353 -5.027 6.427 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.203 -6.302 6.074 1.00 0.00 H new ATOM 0 HG SER A 39 8.929 -6.221 4.520 1.00 0.00 H new ATOM 587 N GLU A 40 8.037 -2.465 5.788 1.00 0.00 N ATOM 588 CA GLU A 40 8.772 -1.307 5.304 1.00 0.00 C ATOM 589 C GLU A 40 9.413 -1.632 3.956 1.00 0.00 C ATOM 590 O GLU A 40 9.395 -0.821 3.028 1.00 0.00 O ATOM 591 CB GLU A 40 9.854 -0.916 6.312 1.00 0.00 C ATOM 592 CG GLU A 40 10.611 0.345 5.938 1.00 0.00 C ATOM 593 CD GLU A 40 11.876 0.522 6.751 1.00 0.00 C ATOM 594 OE1 GLU A 40 12.891 -0.131 6.427 1.00 0.00 O ATOM 595 OE2 GLU A 40 11.860 1.315 7.715 1.00 0.00 O ATOM 0 H GLU A 40 8.337 -2.804 6.702 1.00 0.00 H new ATOM 0 HA GLU A 40 8.083 -0.472 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.393 -0.776 7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.562 -1.739 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.865 0.312 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.964 1.210 6.084 1.00 0.00 H new ATOM 602 N ALA A 41 9.950 -2.848 3.853 1.00 0.00 N ATOM 603 CA ALA A 41 10.608 -3.309 2.634 1.00 0.00 C ATOM 604 C ALA A 41 9.610 -3.436 1.495 1.00 0.00 C ATOM 605 O ALA A 41 9.944 -3.212 0.335 1.00 0.00 O ATOM 606 CB ALA A 41 11.308 -4.638 2.878 1.00 0.00 C ATOM 0 H ALA A 41 9.941 -3.535 4.607 1.00 0.00 H new ATOM 0 HA ALA A 41 11.356 -2.568 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.793 -4.968 1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.057 -4.517 3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.576 -5.383 3.189 1.00 0.00 H new ATOM 612 N GLN A 42 8.378 -3.774 1.838 1.00 0.00 N ATOM 613 CA GLN A 42 7.323 -3.908 0.844 1.00 0.00 C ATOM 614 C GLN A 42 6.813 -2.547 0.402 1.00 0.00 C ATOM 615 O GLN A 42 6.522 -2.335 -0.773 1.00 0.00 O ATOM 616 CB GLN A 42 6.163 -4.745 1.374 1.00 0.00 C ATOM 617 CG GLN A 42 6.299 -6.234 1.110 1.00 0.00 C ATOM 618 CD GLN A 42 5.037 -6.995 1.468 1.00 0.00 C ATOM 619 OE1 GLN A 42 3.934 -6.454 1.423 1.00 0.00 O ATOM 620 NE2 GLN A 42 5.183 -8.261 1.802 1.00 0.00 N ATOM 0 H GLN A 42 8.083 -3.961 2.796 1.00 0.00 H new ATOM 0 HA GLN A 42 7.755 -4.419 -0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.075 -4.584 2.448 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.237 -4.390 0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.533 -6.395 0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.136 -6.629 1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.114 -8.677 1.829 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.365 -8.825 2.034 1.00 0.00 H new ATOM 629 N LEU A 43 6.707 -1.622 1.342 1.00 0.00 N ATOM 630 CA LEU A 43 6.296 -0.266 1.014 1.00 0.00 C ATOM 631 C LEU A 43 7.332 0.412 0.137 1.00 0.00 C ATOM 632 O LEU A 43 7.013 1.318 -0.618 1.00 0.00 O ATOM 633 CB LEU A 43 6.052 0.557 2.279 1.00 0.00 C ATOM 634 CG LEU A 43 4.747 0.236 3.004 1.00 0.00 C ATOM 635 CD1 LEU A 43 4.553 1.154 4.198 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.577 0.358 2.042 1.00 0.00 C ATOM 0 H LEU A 43 6.898 -1.783 2.331 1.00 0.00 H new ATOM 0 HA LEU A 43 5.358 -0.327 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.883 0.398 2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.055 1.615 2.015 1.00 0.00 H new ATOM 0 HG LEU A 43 4.796 -0.789 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.617 0.907 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.382 1.026 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.521 2.190 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.649 0.128 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.531 1.375 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.710 -0.341 1.216 1.00 0.00 H new ATOM 648 N THR A 44 8.570 -0.046 0.224 1.00 0.00 N ATOM 649 CA THR A 44 9.637 0.509 -0.587 1.00 0.00 C ATOM 650 C THR A 44 10.023 -0.469 -1.695 1.00 0.00 C ATOM 651 O THR A 44 11.075 -0.345 -2.324 1.00 0.00 O ATOM 652 CB THR A 44 10.866 0.871 0.273 1.00 0.00 C ATOM 653 OG1 THR A 44 11.201 -0.219 1.141 1.00 0.00 O ATOM 654 CG2 THR A 44 10.596 2.121 1.106 1.00 0.00 C ATOM 0 H THR A 44 8.859 -0.800 0.848 1.00 0.00 H new ATOM 0 HA THR A 44 9.271 1.429 -1.043 1.00 0.00 H new ATOM 0 HB THR A 44 11.701 1.070 -0.398 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.657 -0.169 1.954 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.476 2.357 1.704 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.372 2.958 0.444 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.747 1.942 1.765 1.00 0.00 H new ATOM 662 N ASP A 45 9.153 -1.446 -1.919 1.00 0.00 N ATOM 663 CA ASP A 45 9.327 -2.415 -2.991 1.00 0.00 C ATOM 664 C ASP A 45 8.655 -1.915 -4.257 1.00 0.00 C ATOM 665 O ASP A 45 7.528 -1.429 -4.194 1.00 0.00 O ATOM 666 CB ASP A 45 8.710 -3.758 -2.601 1.00 0.00 C ATOM 667 CG ASP A 45 8.940 -4.823 -3.648 1.00 0.00 C ATOM 668 OD1 ASP A 45 10.069 -5.348 -3.724 1.00 0.00 O ATOM 669 OD2 ASP A 45 7.990 -5.136 -4.394 1.00 0.00 O ATOM 0 H ASP A 45 8.309 -1.588 -1.364 1.00 0.00 H new ATOM 0 HA ASP A 45 10.395 -2.544 -3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.134 -4.088 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.639 -3.631 -2.445 1.00 0.00 H new ATOM 674 N ALA A 46 9.333 -2.030 -5.395 1.00 0.00 N ATOM 675 CA ALA A 46 8.764 -1.593 -6.669 1.00 0.00 C ATOM 676 C ALA A 46 7.417 -2.234 -6.910 1.00 0.00 C ATOM 677 O ALA A 46 6.409 -1.559 -7.105 1.00 0.00 O ATOM 678 CB ALA A 46 9.667 -1.958 -7.831 1.00 0.00 C ATOM 0 H ALA A 46 10.273 -2.420 -5.463 1.00 0.00 H new ATOM 0 HA ALA A 46 8.659 -0.510 -6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.215 -1.619 -8.763 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.637 -1.478 -7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.799 -3.040 -7.864 1.00 0.00 H new ATOM 684 N GLU A 47 7.418 -3.552 -6.871 1.00 0.00 N ATOM 685 CA GLU A 47 6.270 -4.327 -7.265 1.00 0.00 C ATOM 686 C GLU A 47 5.146 -4.183 -6.261 1.00 0.00 C ATOM 687 O GLU A 47 4.022 -3.827 -6.619 1.00 0.00 O ATOM 688 CB GLU A 47 6.660 -5.787 -7.415 1.00 0.00 C ATOM 689 CG GLU A 47 5.656 -6.548 -8.230 1.00 0.00 C ATOM 690 CD GLU A 47 6.201 -7.851 -8.770 1.00 0.00 C ATOM 691 OE1 GLU A 47 7.325 -7.853 -9.314 1.00 0.00 O ATOM 692 OE2 GLU A 47 5.518 -8.887 -8.620 1.00 0.00 O ATOM 0 H GLU A 47 8.215 -4.110 -6.565 1.00 0.00 H new ATOM 0 HA GLU A 47 5.913 -3.951 -8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.640 -5.855 -7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.749 -6.243 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.779 -6.754 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.325 -5.926 -9.062 1.00 0.00 H new ATOM 699 N THR A 48 5.461 -4.468 -5.012 1.00 0.00 N ATOM 700 CA THR A 48 4.490 -4.384 -3.943 1.00 0.00 C ATOM 701 C THR A 48 3.763 -3.033 -3.922 1.00 0.00 C ATOM 702 O THR A 48 2.559 -2.976 -4.163 1.00 0.00 O ATOM 703 CB THR A 48 5.164 -4.642 -2.586 1.00 0.00 C ATOM 704 OG1 THR A 48 5.967 -5.827 -2.667 1.00 0.00 O ATOM 705 CG2 THR A 48 4.118 -4.802 -1.497 1.00 0.00 C ATOM 0 H THR A 48 6.391 -4.762 -4.713 1.00 0.00 H new ATOM 0 HA THR A 48 3.742 -5.154 -4.129 1.00 0.00 H new ATOM 0 HB THR A 48 5.797 -3.790 -2.338 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.666 -5.703 -3.343 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.612 -4.984 -0.542 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.521 -3.892 -1.429 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.469 -5.645 -1.737 1.00 0.00 H new ATOM 713 N SER A 49 4.502 -1.951 -3.682 1.00 0.00 N ATOM 714 CA SER A 49 3.898 -0.630 -3.481 1.00 0.00 C ATOM 715 C SER A 49 3.087 -0.172 -4.695 1.00 0.00 C ATOM 716 O SER A 49 1.979 0.351 -4.553 1.00 0.00 O ATOM 717 CB SER A 49 4.987 0.396 -3.167 1.00 0.00 C ATOM 718 OG SER A 49 5.867 0.552 -4.264 1.00 0.00 O ATOM 0 H SER A 49 5.520 -1.961 -3.622 1.00 0.00 H new ATOM 0 HA SER A 49 3.209 -0.711 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.529 1.355 -2.924 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.548 0.079 -2.288 1.00 0.00 H new ATOM 0 HG SER A 49 6.281 -0.310 -4.476 1.00 0.00 H new ATOM 724 N LYS A 50 3.643 -0.377 -5.879 1.00 0.00 N ATOM 725 CA LYS A 50 3.024 0.077 -7.116 1.00 0.00 C ATOM 726 C LYS A 50 1.665 -0.584 -7.313 1.00 0.00 C ATOM 727 O LYS A 50 0.707 0.054 -7.753 1.00 0.00 O ATOM 728 CB LYS A 50 3.960 -0.235 -8.284 1.00 0.00 C ATOM 729 CG LYS A 50 3.591 0.429 -9.599 1.00 0.00 C ATOM 730 CD LYS A 50 4.703 0.242 -10.616 1.00 0.00 C ATOM 731 CE LYS A 50 4.398 0.929 -11.932 1.00 0.00 C ATOM 732 NZ LYS A 50 5.544 0.821 -12.877 1.00 0.00 N ATOM 0 H LYS A 50 4.532 -0.860 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 50 2.859 1.153 -7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.970 0.070 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.982 -1.314 -8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.664 0.002 -9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.411 1.492 -9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.634 0.636 -10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.857 -0.823 -10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.511 0.483 -12.381 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.170 1.980 -11.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.269 1.210 -13.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.354 1.356 -12.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.810 -0.178 -12.987 1.00 0.00 H new ATOM 746 N LEU A 51 1.579 -1.854 -6.958 1.00 0.00 N ATOM 747 CA LEU A 51 0.335 -2.591 -7.082 1.00 0.00 C ATOM 748 C LEU A 51 -0.590 -2.306 -5.904 1.00 0.00 C ATOM 749 O LEU A 51 -1.810 -2.398 -6.037 1.00 0.00 O ATOM 750 CB LEU A 51 0.622 -4.081 -7.218 1.00 0.00 C ATOM 751 CG LEU A 51 1.301 -4.463 -8.533 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.840 -5.874 -8.462 1.00 0.00 C ATOM 753 CD2 LEU A 51 0.325 -4.323 -9.694 1.00 0.00 C ATOM 0 H LEU A 51 2.357 -2.396 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.180 -2.259 -7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.255 -4.396 -6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.315 -4.631 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 51 2.137 -3.784 -8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.320 -6.128 -9.407 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.569 -5.945 -7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.021 -6.567 -8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.823 -4.599 -10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.530 -4.980 -9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.018 -3.290 -9.759 1.00 0.00 H new ATOM 765 N ILE A 52 -0.014 -1.969 -4.751 1.00 0.00 N ATOM 766 CA ILE A 52 -0.806 -1.491 -3.626 1.00 0.00 C ATOM 767 C ILE A 52 -1.587 -0.244 -4.019 1.00 0.00 C ATOM 768 O ILE A 52 -2.784 -0.152 -3.770 1.00 0.00 O ATOM 769 CB ILE A 52 0.064 -1.157 -2.401 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.767 -2.407 -1.884 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.789 -0.532 -1.311 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.781 -2.125 -0.801 1.00 0.00 C ATOM 0 H ILE A 52 0.989 -2.018 -4.575 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.487 -2.299 -3.358 1.00 0.00 H new ATOM 0 HB ILE A 52 0.828 -0.439 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.020 -3.101 -1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.265 -2.904 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.164 -0.299 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.245 0.384 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.571 -1.232 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.241 -3.060 -0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.550 -1.456 -1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.285 -1.656 0.049 1.00 0.00 H new ATOM 784 N TYR A 53 -0.908 0.710 -4.638 1.00 0.00 N ATOM 785 CA TYR A 53 -1.566 1.927 -5.084 1.00 0.00 C ATOM 786 C TYR A 53 -2.648 1.606 -6.110 1.00 0.00 C ATOM 787 O TYR A 53 -3.764 2.124 -6.034 1.00 0.00 O ATOM 788 CB TYR A 53 -0.569 2.913 -5.684 1.00 0.00 C ATOM 789 CG TYR A 53 -1.263 4.078 -6.339 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.916 5.030 -5.573 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.309 4.197 -7.723 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.590 6.079 -6.167 1.00 0.00 C ATOM 793 CE2 TYR A 53 -1.987 5.237 -8.324 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.624 6.174 -7.542 1.00 0.00 C ATOM 795 OH TYR A 53 -3.309 7.205 -8.140 1.00 0.00 O ATOM 0 H TYR A 53 0.091 0.665 -4.841 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.023 2.389 -4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.097 3.279 -4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.053 2.400 -6.418 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.898 4.951 -4.496 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.806 3.464 -8.337 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.087 6.820 -5.558 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.018 5.316 -9.401 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.817 6.861 -8.904 1.00 0.00 H new ATOM 805 N ASP A 54 -2.305 0.757 -7.070 1.00 0.00 N ATOM 806 CA ASP A 54 -3.260 0.303 -8.079 1.00 0.00 C ATOM 807 C ASP A 54 -4.495 -0.291 -7.408 1.00 0.00 C ATOM 808 O ASP A 54 -5.619 -0.131 -7.883 1.00 0.00 O ATOM 809 CB ASP A 54 -2.596 -0.730 -8.995 1.00 0.00 C ATOM 810 CG ASP A 54 -3.581 -1.433 -9.906 1.00 0.00 C ATOM 811 OD1 ASP A 54 -3.881 -0.902 -10.994 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.046 -2.535 -9.541 1.00 0.00 O ATOM 0 H ASP A 54 -1.369 0.366 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.574 1.155 -8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.838 -0.235 -9.602 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.081 -1.472 -8.384 1.00 0.00 H new ATOM 817 N PHE A 55 -4.263 -0.958 -6.289 1.00 0.00 N ATOM 818 CA PHE A 55 -5.331 -1.491 -5.461 1.00 0.00 C ATOM 819 C PHE A 55 -6.171 -0.367 -4.861 1.00 0.00 C ATOM 820 O PHE A 55 -7.392 -0.379 -4.950 1.00 0.00 O ATOM 821 CB PHE A 55 -4.728 -2.355 -4.350 1.00 0.00 C ATOM 822 CG PHE A 55 -5.670 -2.651 -3.226 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.640 -3.632 -3.367 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.586 -1.957 -2.032 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.506 -3.914 -2.334 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.452 -2.235 -0.996 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.414 -3.187 -1.143 1.00 0.00 C ATOM 0 H PHE A 55 -3.327 -1.145 -5.929 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.986 -2.102 -6.082 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.387 -3.296 -4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.849 -1.851 -3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.717 -4.179 -4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.835 -1.190 -1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.250 -4.690 -2.443 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.367 -1.696 -0.064 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.108 -3.381 -0.338 1.00 0.00 H new ATOM 837 N ILE A 56 -5.502 0.604 -4.262 1.00 0.00 N ATOM 838 CA ILE A 56 -6.171 1.717 -3.598 1.00 0.00 C ATOM 839 C ILE A 56 -7.052 2.501 -4.570 1.00 0.00 C ATOM 840 O ILE A 56 -8.157 2.930 -4.224 1.00 0.00 O ATOM 841 CB ILE A 56 -5.130 2.647 -2.941 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.394 1.872 -1.848 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.784 3.901 -2.372 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.216 2.605 -1.256 1.00 0.00 C ATOM 0 H ILE A 56 -4.484 0.646 -4.221 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.819 1.307 -2.824 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.418 2.975 -3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.098 1.634 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.048 0.924 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.022 4.534 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.279 4.449 -3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.519 3.618 -1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.750 1.986 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.490 2.819 -2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.556 3.540 -0.811 1.00 0.00 H new ATOM 856 N GLU A 57 -6.579 2.653 -5.799 1.00 0.00 N ATOM 857 CA GLU A 57 -7.339 3.362 -6.817 1.00 0.00 C ATOM 858 C GLU A 57 -8.519 2.505 -7.279 1.00 0.00 C ATOM 859 O GLU A 57 -9.504 3.011 -7.817 1.00 0.00 O ATOM 860 CB GLU A 57 -6.442 3.721 -8.005 1.00 0.00 C ATOM 861 CG GLU A 57 -6.982 4.877 -8.835 1.00 0.00 C ATOM 862 CD GLU A 57 -6.044 5.309 -9.947 1.00 0.00 C ATOM 863 OE1 GLU A 57 -5.131 6.119 -9.681 1.00 0.00 O ATOM 864 OE2 GLU A 57 -6.231 4.861 -11.096 1.00 0.00 O ATOM 0 H GLU A 57 -5.677 2.296 -6.114 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.722 4.287 -6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.449 3.979 -7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.328 2.845 -8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.939 4.587 -9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.173 5.727 -8.180 1.00 0.00 H new ATOM 871 N ASP A 58 -8.413 1.202 -7.033 1.00 0.00 N ATOM 872 CA ASP A 58 -9.453 0.247 -7.406 1.00 0.00 C ATOM 873 C ASP A 58 -10.695 0.414 -6.528 1.00 0.00 C ATOM 874 O ASP A 58 -11.821 0.251 -7.000 1.00 0.00 O ATOM 875 CB ASP A 58 -8.907 -1.182 -7.312 1.00 0.00 C ATOM 876 CG ASP A 58 -9.951 -2.246 -7.576 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.442 -2.335 -8.718 1.00 0.00 O ATOM 878 OD2 ASP A 58 -10.262 -3.026 -6.649 1.00 0.00 O ATOM 0 H ASP A 58 -7.607 0.779 -6.571 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.750 0.443 -8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.092 -1.299 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.485 -1.337 -6.319 1.00 0.00 H new ATOM 883 N GLN A 59 -10.492 0.762 -5.256 1.00 0.00 N ATOM 884 CA GLN A 59 -11.614 1.032 -4.351 1.00 0.00 C ATOM 885 C GLN A 59 -12.218 2.403 -4.638 1.00 0.00 C ATOM 886 O GLN A 59 -13.359 2.679 -4.269 1.00 0.00 O ATOM 887 CB GLN A 59 -11.191 0.974 -2.878 1.00 0.00 C ATOM 888 CG GLN A 59 -10.935 -0.427 -2.336 1.00 0.00 C ATOM 889 CD GLN A 59 -9.742 -1.087 -2.978 1.00 0.00 C ATOM 890 OE1 GLN A 59 -8.618 -0.875 -2.551 1.00 0.00 O ATOM 891 NE2 GLN A 59 -9.981 -1.921 -3.974 1.00 0.00 N ATOM 0 H GLN A 59 -9.570 0.863 -4.831 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.356 0.254 -4.530 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.285 1.567 -2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.967 1.445 -2.274 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.780 -0.373 -1.258 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.819 -1.043 -2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.937 -2.067 -4.298 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.210 -2.419 -4.419 1.00 0.00 H new ATOM 900 N GLY A 60 -11.446 3.258 -5.292 1.00 0.00 N ATOM 901 CA GLY A 60 -11.929 4.582 -5.616 1.00 0.00 C ATOM 902 C GLY A 60 -11.108 5.684 -4.975 1.00 0.00 C ATOM 903 O GLY A 60 -11.594 6.801 -4.794 1.00 0.00 O ATOM 0 H GLY A 60 -10.495 3.058 -5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.920 4.712 -6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.966 4.674 -5.293 1.00 0.00 H new ATOM 907 N GLY A 61 -9.871 5.373 -4.613 1.00 0.00 N ATOM 908 CA GLY A 61 -8.969 6.396 -4.127 1.00 0.00 C ATOM 909 C GLY A 61 -8.654 6.257 -2.654 1.00 0.00 C ATOM 910 O GLY A 61 -9.127 5.330 -1.995 1.00 0.00 O ATOM 0 H GLY A 61 -9.477 4.433 -4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.041 6.354 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.410 7.376 -4.307 1.00 0.00 H new ATOM 914 N LEU A 62 -7.866 7.197 -2.138 1.00 0.00 N ATOM 915 CA LEU A 62 -7.410 7.148 -0.751 1.00 0.00 C ATOM 916 C LEU A 62 -8.578 7.145 0.227 1.00 0.00 C ATOM 917 O LEU A 62 -8.669 6.278 1.097 1.00 0.00 O ATOM 918 CB LEU A 62 -6.500 8.337 -0.449 1.00 0.00 C ATOM 919 CG LEU A 62 -5.193 8.367 -1.237 1.00 0.00 C ATOM 920 CD1 LEU A 62 -4.414 9.631 -0.920 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.358 7.136 -0.926 1.00 0.00 C ATOM 0 H LEU A 62 -7.529 8.005 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.855 6.218 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.050 9.256 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.265 8.334 0.615 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.429 8.364 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.485 9.638 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.011 10.503 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.187 9.661 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.430 7.173 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.129 7.111 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.916 6.240 -1.198 1.00 0.00 H new ATOM 933 N GLU A 63 -9.474 8.107 0.066 1.00 0.00 N ATOM 934 CA GLU A 63 -10.591 8.279 0.987 1.00 0.00 C ATOM 935 C GLU A 63 -11.508 7.061 0.985 1.00 0.00 C ATOM 936 O GLU A 63 -12.098 6.720 2.008 1.00 0.00 O ATOM 937 CB GLU A 63 -11.384 9.538 0.636 1.00 0.00 C ATOM 938 CG GLU A 63 -10.544 10.805 0.652 1.00 0.00 C ATOM 939 CD GLU A 63 -9.858 11.031 1.983 1.00 0.00 C ATOM 940 OE1 GLU A 63 -10.455 11.680 2.865 1.00 0.00 O ATOM 941 OE2 GLU A 63 -8.716 10.561 2.159 1.00 0.00 O ATOM 0 H GLU A 63 -9.450 8.784 -0.697 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.179 8.388 1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.826 9.416 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.208 9.648 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.792 10.748 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.179 11.661 0.425 1.00 0.00 H new ATOM 948 N ALA A 64 -11.602 6.393 -0.159 1.00 0.00 N ATOM 949 CA ALA A 64 -12.460 5.223 -0.291 1.00 0.00 C ATOM 950 C ALA A 64 -11.944 4.071 0.564 1.00 0.00 C ATOM 951 O ALA A 64 -12.719 3.357 1.196 1.00 0.00 O ATOM 952 CB ALA A 64 -12.560 4.802 -1.747 1.00 0.00 C ATOM 0 H ALA A 64 -11.094 6.642 -1.008 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.456 5.488 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.204 3.927 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.981 5.619 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.567 4.558 -2.124 1.00 0.00 H new ATOM 958 N VAL A 65 -10.627 3.913 0.595 1.00 0.00 N ATOM 959 CA VAL A 65 -9.994 2.868 1.389 1.00 0.00 C ATOM 960 C VAL A 65 -10.162 3.159 2.878 1.00 0.00 C ATOM 961 O VAL A 65 -10.257 2.250 3.705 1.00 0.00 O ATOM 962 CB VAL A 65 -8.495 2.742 1.041 1.00 0.00 C ATOM 963 CG1 VAL A 65 -7.809 1.716 1.927 1.00 0.00 C ATOM 964 CG2 VAL A 65 -8.324 2.371 -0.423 1.00 0.00 C ATOM 0 H VAL A 65 -9.973 4.499 0.076 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.482 1.922 1.154 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.025 3.709 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.755 1.650 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.899 2.018 2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.280 0.743 1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.262 2.285 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.816 1.418 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.771 3.144 -1.049 1.00 0.00 H new ATOM 974 N ARG A 66 -10.227 4.439 3.205 1.00 0.00 N ATOM 975 CA ARG A 66 -10.444 4.870 4.578 1.00 0.00 C ATOM 976 C ARG A 66 -11.873 4.543 5.006 1.00 0.00 C ATOM 977 O ARG A 66 -12.149 4.334 6.188 1.00 0.00 O ATOM 978 CB ARG A 66 -10.166 6.369 4.702 1.00 0.00 C ATOM 979 CG ARG A 66 -8.790 6.758 4.187 1.00 0.00 C ATOM 980 CD ARG A 66 -8.586 8.262 4.195 1.00 0.00 C ATOM 981 NE ARG A 66 -8.324 8.783 5.535 1.00 0.00 N ATOM 982 CZ ARG A 66 -8.271 10.080 5.829 1.00 0.00 C ATOM 983 NH1 ARG A 66 -8.480 10.995 4.892 1.00 0.00 N ATOM 984 NH2 ARG A 66 -7.992 10.465 7.066 1.00 0.00 N ATOM 0 H ARG A 66 -10.132 5.202 2.535 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.759 4.338 5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.925 6.922 4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.255 6.665 5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.025 6.285 4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.662 6.380 3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.752 8.516 3.540 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.472 8.748 3.786 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.173 8.113 6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.684 10.707 3.935 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.437 11.986 5.129 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.818 9.768 7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.951 11.458 7.294 1.00 0.00 H new ATOM 998 N GLN A 67 -12.773 4.482 4.030 1.00 0.00 N ATOM 999 CA GLN A 67 -14.148 4.067 4.277 1.00 0.00 C ATOM 1000 C GLN A 67 -14.211 2.572 4.545 1.00 0.00 C ATOM 1001 O GLN A 67 -15.007 2.112 5.365 1.00 0.00 O ATOM 1002 CB GLN A 67 -15.038 4.407 3.087 1.00 0.00 C ATOM 1003 CG GLN A 67 -15.125 5.890 2.782 1.00 0.00 C ATOM 1004 CD GLN A 67 -15.981 6.163 1.568 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -15.487 6.230 0.443 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -17.280 6.301 1.783 1.00 0.00 N ATOM 0 H GLN A 67 -12.573 4.716 3.057 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.508 4.606 5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.662 3.887 2.206 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.042 4.027 3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.538 6.415 3.644 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.123 6.287 2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.649 6.239 2.732 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.911 6.470 1.000 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.356 1.817 3.853 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.270 0.369 4.033 1.00 0.00 C ATOM 1017 C GLU A 68 -12.936 0.026 5.477 1.00 0.00 C ATOM 1018 O GLU A 68 -13.266 -1.057 5.960 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.205 -0.239 3.124 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.360 0.096 1.652 1.00 0.00 C ATOM 1021 CD GLU A 68 -13.722 -0.279 1.104 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -14.069 -1.476 1.124 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -14.453 0.629 0.661 1.00 0.00 O ATOM 0 H GLU A 68 -12.709 2.189 3.158 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.243 -0.047 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.225 0.100 3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.224 -1.323 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.197 1.164 1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.589 -0.423 1.083 1.00 0.00 H new ATOM 1030 N MET A 69 -12.291 0.964 6.164 1.00 0.00 N ATOM 1031 CA MET A 69 -11.947 0.800 7.574 1.00 0.00 C ATOM 1032 C MET A 69 -13.203 0.627 8.423 1.00 0.00 C ATOM 1033 O MET A 69 -13.138 0.166 9.561 1.00 0.00 O ATOM 1034 CB MET A 69 -11.154 2.011 8.077 1.00 0.00 C ATOM 1035 CG MET A 69 -9.723 2.079 7.568 1.00 0.00 C ATOM 1036 SD MET A 69 -8.678 0.781 8.261 1.00 0.00 S ATOM 1037 CE MET A 69 -7.081 1.232 7.585 1.00 0.00 C ATOM 0 H MET A 69 -11.993 1.854 5.763 1.00 0.00 H new ATOM 0 HA MET A 69 -11.333 -0.096 7.666 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.676 2.921 7.780 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.139 1.993 9.167 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.724 1.998 6.481 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.299 3.052 7.815 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.316 0.564 7.981 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.109 1.148 6.499 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.845 2.259 7.864 1.00 0.00 H new ATOM 1047 N ARG A 70 -14.344 1.035 7.875 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.630 0.880 8.541 1.00 0.00 C ATOM 1049 C ARG A 70 -16.581 0.101 7.644 1.00 0.00 C ATOM 1050 O ARG A 70 -17.791 0.093 7.863 1.00 0.00 O ATOM 1051 CB ARG A 70 -16.253 2.245 8.874 1.00 0.00 C ATOM 1052 CG ARG A 70 -15.618 2.972 10.053 1.00 0.00 C ATOM 1053 CD ARG A 70 -14.204 3.436 9.746 1.00 0.00 C ATOM 1054 NE ARG A 70 -13.598 4.131 10.876 1.00 0.00 N ATOM 1055 CZ ARG A 70 -12.845 3.540 11.803 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -12.614 2.233 11.746 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -12.326 4.262 12.785 1.00 0.00 N ATOM 0 H ARG A 70 -14.402 1.481 6.959 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.465 0.338 9.472 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.184 2.883 7.993 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -17.313 2.102 9.083 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -16.231 3.833 10.320 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -15.602 2.311 10.919 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.590 2.576 9.479 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.220 4.098 8.880 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.761 5.134 10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.014 1.677 10.990 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.037 1.786 12.458 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.504 5.265 12.829 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.749 3.814 13.497 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.383 -3.619 4.654 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.895 -3.700 3.279 1.00 0.00 C ATOM 1205 C VAL B 79 -8.576 -4.491 3.151 1.00 0.00 C ATOM 1206 O VAL B 79 -8.260 -5.000 2.072 1.00 0.00 O ATOM 1207 CB VAL B 79 -9.752 -2.266 2.691 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.069 -1.326 3.661 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -9.002 -2.254 1.378 1.00 0.00 C ATOM 0 HA VAL B 79 -10.632 -4.258 2.701 1.00 0.00 H new ATOM 0 HB VAL B 79 -10.769 -1.918 2.512 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -8.989 -0.336 3.213 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -9.654 -1.262 4.579 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -8.072 -1.702 3.891 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.929 -1.231 1.010 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -8.001 -2.658 1.527 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -9.535 -2.865 0.649 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.840 -4.635 4.251 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.532 -5.301 4.235 1.00 0.00 C ATOM 1221 C ALA B 80 -6.580 -6.690 3.597 1.00 0.00 C ATOM 1222 O ALA B 80 -5.661 -7.071 2.870 1.00 0.00 O ATOM 1223 CB ALA B 80 -5.969 -5.390 5.641 1.00 0.00 C ATOM 0 H ALA B 80 -8.126 -4.299 5.171 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.876 -4.690 3.615 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -4.999 -5.886 5.614 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -5.852 -4.387 6.050 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -6.651 -5.961 6.271 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.649 -7.441 3.847 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.768 -8.795 3.297 1.00 0.00 C ATOM 1231 C GLN B 81 -7.839 -8.752 1.772 1.00 0.00 C ATOM 1232 O GLN B 81 -7.248 -9.586 1.077 1.00 0.00 O ATOM 1233 CB GLN B 81 -9.008 -9.511 3.843 1.00 0.00 C ATOM 1234 CG GLN B 81 -10.323 -8.851 3.452 1.00 0.00 C ATOM 1235 CD GLN B 81 -11.517 -9.765 3.633 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -12.499 -9.675 2.900 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -11.441 -10.653 4.607 1.00 0.00 N ATOM 0 H GLN B 81 -8.439 -7.143 4.420 1.00 0.00 H new ATOM 0 HA GLN B 81 -6.881 -9.350 3.603 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -9.009 -10.540 3.484 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -8.943 -9.552 4.930 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -10.465 -7.952 4.052 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -10.269 -8.534 2.411 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -10.608 -10.696 5.194 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -12.215 -11.296 4.772 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.533 -7.744 1.266 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.765 -7.578 -0.149 1.00 0.00 C ATOM 1248 C ARG B 82 -7.477 -7.128 -0.838 1.00 0.00 C ATOM 1249 O ARG B 82 -7.314 -7.245 -2.056 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.887 -6.551 -0.317 1.00 0.00 C ATOM 1251 CG ARG B 82 -10.173 -6.167 -1.744 1.00 0.00 C ATOM 1252 CD ARG B 82 -11.226 -5.069 -1.818 1.00 0.00 C ATOM 1253 NE ARG B 82 -12.455 -5.445 -1.116 1.00 0.00 N ATOM 1254 CZ ARG B 82 -13.164 -4.622 -0.345 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -12.797 -3.352 -0.210 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -14.244 -5.072 0.284 1.00 0.00 N ATOM 0 H ARG B 82 -8.954 -7.012 1.839 1.00 0.00 H new ATOM 0 HA ARG B 82 -9.064 -8.518 -0.613 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.798 -6.951 0.128 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -9.627 -5.653 0.243 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -9.255 -5.827 -2.223 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -10.516 -7.041 -2.297 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -10.826 -4.152 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -11.455 -4.855 -2.862 1.00 0.00 H new ATOM 0 HE ARG B 82 -12.791 -6.402 -1.225 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -11.971 -3.005 -0.697 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -13.342 -2.724 0.381 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -14.529 -6.046 0.176 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -14.789 -4.444 0.875 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.545 -6.664 -0.025 1.00 0.00 N ATOM 1271 CA LEU B 83 -5.274 -6.150 -0.509 1.00 0.00 C ATOM 1272 C LEU B 83 -4.251 -7.272 -0.581 1.00 0.00 C ATOM 1273 O LEU B 83 -3.439 -7.327 -1.508 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.784 -5.030 0.412 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.338 -4.571 0.210 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.110 -4.050 -1.202 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.995 -3.504 1.235 1.00 0.00 C ATOM 0 H LEU B 83 -6.647 -6.632 0.989 1.00 0.00 H new ATOM 0 HA LEU B 83 -5.408 -5.743 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -5.438 -4.168 0.281 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -4.897 -5.362 1.444 1.00 0.00 H new ATOM 0 HG LEU B 83 -2.682 -5.430 0.349 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.073 -3.733 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.324 -4.841 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -3.770 -3.203 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -1.965 -3.178 1.090 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -3.665 -2.653 1.113 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.108 -3.914 2.239 1.00 0.00 H new ATOM 1289 N MET B 84 -4.310 -8.173 0.396 1.00 0.00 N ATOM 1290 CA MET B 84 -3.418 -9.328 0.435 1.00 0.00 C ATOM 1291 C MET B 84 -3.511 -10.111 -0.865 1.00 0.00 C ATOM 1292 O MET B 84 -2.503 -10.562 -1.410 1.00 0.00 O ATOM 1293 CB MET B 84 -3.778 -10.256 1.595 1.00 0.00 C ATOM 1294 CG MET B 84 -3.763 -9.601 2.963 1.00 0.00 C ATOM 1295 SD MET B 84 -4.324 -10.733 4.250 1.00 0.00 S ATOM 1296 CE MET B 84 -4.111 -9.724 5.710 1.00 0.00 C ATOM 0 H MET B 84 -4.968 -8.125 1.174 1.00 0.00 H new ATOM 0 HA MET B 84 -2.402 -8.958 0.572 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.771 -10.669 1.417 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.081 -11.094 1.601 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.753 -9.261 3.193 1.00 0.00 H new ATOM 0 HG3 MET B 84 -4.402 -8.718 2.951 1.00 0.00 H new ATOM 0 HE1 MET B 84 -4.515 -10.248 6.576 1.00 0.00 H new ATOM 0 HE2 MET B 84 -3.050 -9.530 5.866 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.638 -8.779 5.579 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.732 -10.254 -1.364 1.00 0.00 N ATOM 1307 CA GLN B 85 -4.979 -11.006 -2.573 1.00 0.00 C ATOM 1308 C GLN B 85 -4.511 -10.232 -3.798 1.00 0.00 C ATOM 1309 O GLN B 85 -3.903 -10.799 -4.703 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.470 -11.331 -2.663 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.016 -11.338 -4.072 1.00 0.00 C ATOM 1312 CD GLN B 85 -8.475 -11.738 -4.120 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -9.367 -10.894 -4.032 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -8.726 -13.028 -4.257 1.00 0.00 N ATOM 0 H GLN B 85 -5.569 -9.853 -0.941 1.00 0.00 H new ATOM 0 HA GLN B 85 -4.412 -11.937 -2.543 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -6.646 -12.308 -2.212 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -7.026 -10.602 -2.073 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -6.899 -10.347 -4.510 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -6.432 -12.027 -4.682 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -7.956 -13.693 -4.326 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -9.690 -13.359 -4.294 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.765 -8.928 -3.795 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.457 -8.072 -4.938 1.00 0.00 C ATOM 1325 C HIS B 86 -2.975 -8.146 -5.309 1.00 0.00 C ATOM 1326 O HIS B 86 -2.615 -8.066 -6.484 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.857 -6.626 -4.626 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.702 -5.684 -5.785 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.708 -5.436 -6.696 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -3.646 -4.937 -6.182 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.275 -4.586 -7.607 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.027 -4.267 -7.319 1.00 0.00 N ATOM 0 H HIS B 86 -5.187 -8.436 -3.007 1.00 0.00 H new ATOM 0 HA HIS B 86 -5.030 -8.428 -5.794 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.896 -6.611 -4.296 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -4.252 -6.264 -3.794 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -2.683 -4.878 -5.696 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -5.845 -4.214 -8.446 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -3.440 -3.627 -7.854 1.00 0.00 H new ATOM 1341 N LEU B 87 -2.119 -8.296 -4.310 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.684 -8.376 -4.549 1.00 0.00 C ATOM 1343 C LEU B 87 -0.269 -9.807 -4.868 1.00 0.00 C ATOM 1344 O LEU B 87 0.536 -10.050 -5.774 1.00 0.00 O ATOM 1345 CB LEU B 87 0.086 -7.880 -3.329 1.00 0.00 C ATOM 1346 CG LEU B 87 -0.328 -6.502 -2.822 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.285 -6.238 -1.458 1.00 0.00 C ATOM 1348 CD2 LEU B 87 0.086 -5.435 -3.819 1.00 0.00 C ATOM 0 H LEU B 87 -2.390 -8.365 -3.329 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.448 -7.742 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.040 -8.601 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.148 -7.857 -3.573 1.00 0.00 H new ATOM 0 HG LEU B 87 -1.413 -6.472 -2.718 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -0.018 -5.251 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -0.058 -6.995 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU B 87 1.372 -6.278 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.214 -4.455 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU B 87 1.168 -5.459 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.399 -5.624 -4.777 1.00 0.00 H new ATOM 1360 N ALA B 88 -0.833 -10.741 -4.115 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.523 -12.165 -4.265 1.00 0.00 C ATOM 1362 C ALA B 88 -0.762 -12.658 -5.691 1.00 0.00 C ATOM 1363 O ALA B 88 -0.045 -13.533 -6.180 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.343 -12.984 -3.281 1.00 0.00 C ATOM 0 H ALA B 88 -1.516 -10.539 -3.385 1.00 0.00 H new ATOM 0 HA ALA B 88 0.538 -12.294 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -1.105 -14.041 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -1.108 -12.672 -2.263 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.404 -12.827 -3.473 1.00 0.00 H new ATOM 1370 N GLU B 89 -1.766 -12.093 -6.353 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.090 -12.465 -7.728 1.00 0.00 C ATOM 1372 C GLU B 89 -0.908 -12.235 -8.669 1.00 0.00 C ATOM 1373 O GLU B 89 -0.728 -12.961 -9.648 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.290 -11.667 -8.227 1.00 0.00 C ATOM 1375 CG GLU B 89 -4.567 -11.905 -7.435 1.00 0.00 C ATOM 1376 CD GLU B 89 -5.066 -13.331 -7.543 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -5.775 -13.641 -8.521 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -4.744 -14.153 -6.655 1.00 0.00 O ATOM 0 H GLU B 89 -2.372 -11.373 -5.959 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.329 -13.529 -7.726 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -3.046 -10.605 -8.192 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -3.471 -11.919 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -4.389 -11.665 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -5.342 -11.226 -7.790 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.096 -11.232 -8.365 1.00 0.00 N ATOM 1386 CA HIS B 90 1.001 -10.855 -9.245 1.00 0.00 C ATOM 1387 C HIS B 90 2.299 -11.548 -8.844 1.00 0.00 C ATOM 1388 O HIS B 90 2.889 -12.277 -9.640 1.00 0.00 O ATOM 1389 CB HIS B 90 1.190 -9.336 -9.258 1.00 0.00 C ATOM 1390 CG HIS B 90 0.025 -8.591 -9.834 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -1.107 -8.134 -9.251 1.00 0.00 N flip ATOM 1392 CD2 HIS B 90 -0.060 -8.235 -11.161 1.00 0.00 C flip ATOM 1393 CE1 HIS B 90 -1.848 -7.519 -10.224 1.00 0.00 C flip ATOM 1394 NE2 HIS B 90 -1.193 -7.593 -11.367 1.00 0.00 N flip ATOM 0 H HIS B 90 -0.175 -10.667 -7.520 1.00 0.00 H new ATOM 0 HA HIS B 90 0.742 -11.182 -10.252 1.00 0.00 H new ATOM 0 HB2 HIS B 90 1.363 -8.991 -8.239 1.00 0.00 H new ATOM 0 HB3 HIS B 90 2.085 -9.095 -9.832 1.00 0.00 H new ATOM 0 HD1 HIS B 90 -1.361 -8.230 -8.268 1.00 0.00 H new ATOM 0 HD2 HIS B 90 0.684 -8.448 -11.914 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -2.810 -7.050 -10.080 1.00 0.00 H new ATOM 1403 N GLY B 91 2.737 -11.331 -7.611 1.00 0.00 N ATOM 1404 CA GLY B 91 3.957 -11.967 -7.146 1.00 0.00 C ATOM 1405 C GLY B 91 4.732 -11.123 -6.156 1.00 0.00 C ATOM 1406 O GLY B 91 5.956 -11.223 -6.077 1.00 0.00 O ATOM 0 H GLY B 91 2.275 -10.731 -6.928 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.707 -12.921 -6.682 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.594 -12.186 -8.003 1.00 0.00 H new ATOM 1410 N ILE B 92 4.020 -10.292 -5.404 1.00 0.00 N ATOM 1411 CA ILE B 92 4.630 -9.454 -4.384 1.00 0.00 C ATOM 1412 C ILE B 92 5.435 -10.283 -3.392 1.00 0.00 C ATOM 1413 O ILE B 92 5.023 -11.379 -2.998 1.00 0.00 O ATOM 1414 CB ILE B 92 3.550 -8.627 -3.652 1.00 0.00 C ATOM 1415 CG1 ILE B 92 3.247 -7.366 -4.454 1.00 0.00 C ATOM 1416 CG2 ILE B 92 3.960 -8.273 -2.225 1.00 0.00 C ATOM 1417 CD1 ILE B 92 2.599 -7.624 -5.791 1.00 0.00 C ATOM 0 H ILE B 92 3.009 -10.182 -5.485 1.00 0.00 H new ATOM 0 HA ILE B 92 5.319 -8.770 -4.879 1.00 0.00 H new ATOM 0 HB ILE B 92 2.651 -9.239 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.594 -6.722 -3.865 1.00 0.00 H new ATOM 0 HG13 ILE B 92 4.176 -6.818 -4.613 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.168 -7.692 -1.753 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.127 -9.188 -1.657 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.878 -7.686 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE B 92 2.417 -6.675 -6.296 1.00 0.00 H new ATOM 0 HD12 ILE B 92 3.258 -8.240 -6.402 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.652 -8.143 -5.642 1.00 0.00 H new ATOM 1429 N GLN B 93 6.588 -9.755 -3.004 1.00 0.00 N ATOM 1430 CA GLN B 93 7.490 -10.473 -2.117 1.00 0.00 C ATOM 1431 C GLN B 93 7.027 -10.355 -0.667 1.00 0.00 C ATOM 1432 O GLN B 93 6.974 -9.262 -0.108 1.00 0.00 O ATOM 1433 CB GLN B 93 8.919 -9.950 -2.277 1.00 0.00 C ATOM 1434 CG GLN B 93 9.460 -10.093 -3.693 1.00 0.00 C ATOM 1435 CD GLN B 93 9.434 -11.528 -4.184 1.00 0.00 C ATOM 1436 OE1 GLN B 93 9.543 -12.470 -3.398 1.00 0.00 O ATOM 1437 NE2 GLN B 93 9.300 -11.704 -5.489 1.00 0.00 N ATOM 0 H GLN B 93 6.919 -8.834 -3.290 1.00 0.00 H new ATOM 0 HA GLN B 93 7.478 -11.528 -2.389 1.00 0.00 H new ATOM 0 HB2 GLN B 93 8.948 -8.899 -1.989 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.573 -10.486 -1.590 1.00 0.00 H new ATOM 0 HG2 GLN B 93 8.872 -9.471 -4.368 1.00 0.00 H new ATOM 0 HG3 GLN B 93 10.484 -9.720 -3.727 1.00 0.00 H new ATOM 0 HE21 GLN B 93 9.213 -10.897 -6.106 1.00 0.00 H new ATOM 0 HE22 GLN B 93 9.284 -12.647 -5.877 1.00 0.00 H new