USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 812 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 87 THR OG1 : rot -150:sc= -0.397 USER MOD Set 1.2: A 101 SER OG : rot 80:sc= -3.33! USER MOD Set 2.1: A 17 ASN : amide:sc= -0.161 K(o=-0.32,f=-4.3!) USER MOD Set 2.2: A 19 ASN :FLIP amide:sc= -0.164 F(o=-0.96,f=-0.32) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 82:sc= 0.0314 USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= -0.171! (180deg=-0.581!) USER MOD Single : A 30 LYS NZ :NH3+ -145:sc= 0.765 (180deg=-0.222) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.871 F(o=-2.8!,f=-0.87) USER MOD Single : A 38 GLN : amide:sc=-0.00143 X(o=-0.0014,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot -111:sc= 0.458 USER MOD Single : A 53 TYR OH : rot 150:sc= -0.631 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.000777 X(o=-0.00078,f=-0.36) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.928 X(o=-0.93,f=-1.1) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -4! C(o=-4!,f=-5.7!) USER MOD Single : A 89 LYS NZ :NH3+ -132:sc= 0.968 (180deg=-0.215) USER MOD Single : A 92 HIS : no HD1:sc= -6.44! C(o=-6.4!,f=-6.2!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0.00252 X(o=0.0025,f=-0.45) USER MOD Single : A 113 GLN : amide:sc= -0.0646 X(o=-0.065,f=0) USER MOD Single : A 115 MET CE :methyl 176:sc= -1.04 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -12.382 3.807 -5.846 1.00 0.00 N ATOM 177 CA LYS A 15 -12.873 2.451 -5.635 1.00 0.00 C ATOM 178 C LYS A 15 -12.207 1.474 -6.598 1.00 0.00 C ATOM 179 O LYS A 15 -11.844 1.840 -7.716 1.00 0.00 O ATOM 180 CB LYS A 15 -14.393 2.403 -5.813 1.00 0.00 C ATOM 181 CG LYS A 15 -15.060 1.276 -5.045 1.00 0.00 C ATOM 182 CD LYS A 15 -15.108 -0.004 -5.862 1.00 0.00 C ATOM 183 CE LYS A 15 -16.238 -0.915 -5.406 1.00 0.00 C ATOM 184 NZ LYS A 15 -17.504 -0.639 -6.141 1.00 0.00 N ATOM 0 HA LYS A 15 -12.623 2.156 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.818 3.353 -5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.623 2.295 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.517 1.096 -4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.073 1.571 -4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.239 0.241 -6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.157 -0.530 -5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.950 -1.955 -5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.403 -0.782 -4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.249 -1.280 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.793 0.346 -5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.354 -0.790 -7.159 1.00 0.00 H new ATOM 198 N ARG A 16 -12.050 0.230 -6.157 1.00 0.00 N ATOM 199 CA ARG A 16 -11.427 -0.800 -6.981 1.00 0.00 C ATOM 200 C ARG A 16 -12.380 -1.270 -8.076 1.00 0.00 C ATOM 201 O ARG A 16 -13.578 -1.428 -7.843 1.00 0.00 O ATOM 202 CB ARG A 16 -11.001 -1.987 -6.115 1.00 0.00 C ATOM 203 CG ARG A 16 -10.397 -3.133 -6.909 1.00 0.00 C ATOM 204 CD ARG A 16 -10.254 -4.385 -6.058 1.00 0.00 C ATOM 205 NE ARG A 16 -10.372 -5.604 -6.854 1.00 0.00 N ATOM 206 CZ ARG A 16 -11.534 -6.158 -7.181 1.00 0.00 C ATOM 207 NH1 ARG A 16 -12.671 -5.605 -6.784 1.00 0.00 N ATOM 208 NH2 ARG A 16 -11.560 -7.268 -7.908 1.00 0.00 N ATOM 0 H ARG A 16 -12.345 -0.089 -5.234 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.544 -0.369 -7.453 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.276 -1.646 -5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.867 -2.354 -5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.025 -3.349 -7.773 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.420 -2.837 -7.291 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.287 -4.373 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.018 -4.384 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.515 -6.054 -7.176 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.655 -4.751 -6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.562 -6.033 -7.037 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.687 -7.696 -8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.453 -7.693 -8.159 1.00 0.00 H new ATOM 222 N ASN A 17 -11.839 -1.492 -9.269 1.00 0.00 N ATOM 223 CA ASN A 17 -12.642 -1.944 -10.400 1.00 0.00 C ATOM 224 C ASN A 17 -12.761 -3.465 -10.409 1.00 0.00 C ATOM 225 O ASN A 17 -11.767 -4.191 -10.414 1.00 0.00 O ATOM 226 CB ASN A 17 -12.025 -1.462 -11.715 1.00 0.00 C ATOM 227 CG ASN A 17 -13.070 -1.204 -12.783 1.00 0.00 C ATOM 228 OD1 ASN A 17 -13.865 -2.083 -13.115 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.073 0.008 -13.327 1.00 0.00 N ATOM 0 H ASN A 17 -10.849 -1.367 -9.478 1.00 0.00 H new ATOM 0 HA ASN A 17 -13.641 -1.520 -10.297 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.460 -0.547 -11.535 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.317 -2.208 -12.076 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.753 0.241 -14.051 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.395 0.706 -13.021 1.00 0.00 H new ATOM 236 N PRO A 18 -14.008 -3.961 -10.412 1.00 0.00 N ATOM 237 CA PRO A 18 -14.288 -5.400 -10.421 1.00 0.00 C ATOM 238 C PRO A 18 -13.920 -6.053 -11.749 1.00 0.00 C ATOM 239 O PRO A 18 -13.857 -7.277 -11.853 1.00 0.00 O ATOM 240 CB PRO A 18 -15.800 -5.468 -10.192 1.00 0.00 C ATOM 241 CG PRO A 18 -16.318 -4.163 -10.689 1.00 0.00 C ATOM 242 CD PRO A 18 -15.240 -3.154 -10.406 1.00 0.00 C ATOM 0 HA PRO A 18 -13.705 -5.934 -9.671 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.245 -6.303 -10.734 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.035 -5.611 -9.137 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.537 -4.211 -11.756 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.246 -3.894 -10.185 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.212 -2.372 -11.165 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.393 -2.661 -9.446 1.00 0.00 H new ATOM 250 N ASN A 19 -13.678 -5.227 -12.762 1.00 0.00 N ATOM 251 CA ASN A 19 -13.317 -5.725 -14.085 1.00 0.00 C ATOM 252 C ASN A 19 -11.807 -5.911 -14.202 1.00 0.00 C ATOM 253 O ASN A 19 -11.335 -6.844 -14.851 1.00 0.00 O ATOM 254 CB ASN A 19 -13.810 -4.763 -15.167 1.00 0.00 C ATOM 255 CG ASN A 19 -15.219 -4.269 -14.904 1.00 0.00 C ATOM 256 OD1 ASN A 19 -15.457 -2.989 -15.169 1.00 0.00 O flip ATOM 257 ND2 ASN A 19 -16.084 -5.028 -14.466 1.00 0.00 N flip ATOM 0 H ASN A 19 -13.725 -4.210 -12.692 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.796 -6.694 -14.225 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.134 -3.910 -15.226 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.778 -5.263 -16.135 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -15.857 -6.004 -14.276 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -17.027 -4.680 -14.293 1.00 0.00 H new ATOM 264 N ALA A 20 -11.056 -5.016 -13.570 1.00 0.00 N ATOM 265 CA ALA A 20 -9.600 -5.082 -13.601 1.00 0.00 C ATOM 266 C ALA A 20 -9.090 -6.306 -12.848 1.00 0.00 C ATOM 267 O ALA A 20 -9.460 -6.558 -11.701 1.00 0.00 O ATOM 268 CB ALA A 20 -9.001 -3.812 -13.015 1.00 0.00 C ATOM 0 H ALA A 20 -11.432 -4.236 -13.030 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.287 -5.171 -14.641 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.913 -3.875 -13.045 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.330 -2.952 -13.598 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.330 -3.698 -11.982 1.00 0.00 H new ATOM 274 N PRO A 21 -8.219 -7.086 -13.505 1.00 0.00 N ATOM 275 CA PRO A 21 -7.640 -8.297 -12.916 1.00 0.00 C ATOM 276 C PRO A 21 -6.659 -7.982 -11.792 1.00 0.00 C ATOM 277 O PRO A 21 -5.762 -7.154 -11.951 1.00 0.00 O ATOM 278 CB PRO A 21 -6.912 -8.951 -14.094 1.00 0.00 C ATOM 279 CG PRO A 21 -6.602 -7.825 -15.019 1.00 0.00 C ATOM 280 CD PRO A 21 -7.733 -6.846 -14.875 1.00 0.00 C ATOM 0 HA PRO A 21 -8.399 -8.933 -12.461 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.003 -9.456 -13.767 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.537 -9.701 -14.579 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.650 -7.361 -14.763 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.519 -8.177 -16.047 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.394 -5.818 -15.007 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.514 -7.022 -15.615 1.00 0.00 H new ATOM 288 N VAL A 22 -6.834 -8.649 -10.656 1.00 0.00 N ATOM 289 CA VAL A 22 -5.963 -8.442 -9.505 1.00 0.00 C ATOM 290 C VAL A 22 -4.497 -8.600 -9.890 1.00 0.00 C ATOM 291 O VAL A 22 -4.032 -9.706 -10.171 1.00 0.00 O ATOM 292 CB VAL A 22 -6.293 -9.426 -8.367 1.00 0.00 C ATOM 293 CG1 VAL A 22 -5.311 -9.261 -7.217 1.00 0.00 C ATOM 294 CG2 VAL A 22 -7.724 -9.228 -7.890 1.00 0.00 C ATOM 0 H VAL A 22 -7.572 -9.338 -10.508 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.136 -7.424 -9.156 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.199 -10.442 -8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.560 -9.964 -6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.299 -9.457 -7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.369 -8.243 -6.832 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.940 -9.931 -7.086 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.848 -8.209 -7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.411 -9.402 -8.718 1.00 0.00 H new ATOM 304 N THR A 23 -3.770 -7.487 -9.902 1.00 0.00 N ATOM 305 CA THR A 23 -2.356 -7.501 -10.253 1.00 0.00 C ATOM 306 C THR A 23 -1.567 -8.416 -9.323 1.00 0.00 C ATOM 307 O THR A 23 -0.935 -9.375 -9.767 1.00 0.00 O ATOM 308 CB THR A 23 -1.749 -6.087 -10.199 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.576 -5.171 -10.926 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.343 -6.078 -10.779 1.00 0.00 C ATOM 0 H THR A 23 -4.138 -6.564 -9.672 1.00 0.00 H new ATOM 0 HA THR A 23 -2.288 -7.879 -11.273 1.00 0.00 H new ATOM 0 HB THR A 23 -1.696 -5.779 -9.155 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.326 -4.889 -10.362 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.064 -5.068 -10.730 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.291 -6.754 -10.206 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.376 -6.406 -11.818 1.00 0.00 H new ATOM 318 N LYS A 24 -1.609 -8.115 -8.030 1.00 0.00 N ATOM 319 CA LYS A 24 -0.901 -8.911 -7.035 1.00 0.00 C ATOM 320 C LYS A 24 -1.567 -8.792 -5.668 1.00 0.00 C ATOM 321 O LYS A 24 -1.972 -7.706 -5.257 1.00 0.00 O ATOM 322 CB LYS A 24 0.561 -8.467 -6.942 1.00 0.00 C ATOM 323 CG LYS A 24 1.493 -9.545 -6.417 1.00 0.00 C ATOM 324 CD LYS A 24 2.720 -8.945 -5.751 1.00 0.00 C ATOM 325 CE LYS A 24 3.274 -9.864 -4.673 1.00 0.00 C ATOM 326 NZ LYS A 24 2.233 -10.243 -3.678 1.00 0.00 N ATOM 0 H LYS A 24 -2.127 -7.324 -7.646 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.938 -9.954 -7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.900 -8.155 -7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.626 -7.594 -6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.960 -10.172 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.803 -10.191 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.488 -8.758 -6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.462 -7.981 -5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.679 -10.764 -5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.100 -9.369 -4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.685 -10.695 -2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.724 -9.391 -3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.562 -10.908 -4.114 1.00 0.00 H new ATOM 340 N ALA A 25 -1.675 -9.917 -4.967 1.00 0.00 N ATOM 341 CA ALA A 25 -2.288 -9.937 -3.645 1.00 0.00 C ATOM 342 C ALA A 25 -1.399 -10.659 -2.639 1.00 0.00 C ATOM 343 O ALA A 25 -0.924 -11.764 -2.896 1.00 0.00 O ATOM 344 CB ALA A 25 -3.659 -10.595 -3.709 1.00 0.00 C ATOM 0 H ALA A 25 -1.346 -10.826 -5.293 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.407 -8.906 -3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.105 -10.603 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.300 -10.035 -4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.555 -11.619 -4.068 1.00 0.00 H new ATOM 350 N GLY A 26 -1.178 -10.027 -1.490 1.00 0.00 N ATOM 351 CA GLY A 26 -0.345 -10.624 -0.463 1.00 0.00 C ATOM 352 C GLY A 26 -0.430 -9.882 0.856 1.00 0.00 C ATOM 353 O GLY A 26 -0.516 -8.654 0.880 1.00 0.00 O ATOM 0 H GLY A 26 -1.561 -9.112 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.646 -11.661 -0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.691 -10.638 -0.802 1.00 0.00 H new ATOM 357 N TRP A 27 -0.406 -10.627 1.955 1.00 0.00 N ATOM 358 CA TRP A 27 -0.483 -10.031 3.284 1.00 0.00 C ATOM 359 C TRP A 27 0.804 -9.287 3.622 1.00 0.00 C ATOM 360 O TRP A 27 1.833 -9.902 3.904 1.00 0.00 O ATOM 361 CB TRP A 27 -0.753 -11.110 4.334 1.00 0.00 C ATOM 362 CG TRP A 27 -2.198 -11.494 4.433 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.815 -12.536 3.802 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.208 -10.838 5.209 1.00 0.00 C ATOM 365 NE1 TRP A 27 -4.147 -12.567 4.138 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.413 -11.537 5.000 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.211 -9.730 6.060 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.606 -11.162 5.611 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.396 -9.358 6.666 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.580 -10.073 6.440 1.00 0.00 C ATOM 0 H TRP A 27 -0.334 -11.644 1.952 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.306 -9.316 3.287 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.165 -11.996 4.094 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.412 -10.754 5.306 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.328 -13.233 3.137 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.828 -13.247 3.800 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.303 -9.174 6.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.520 -11.711 5.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.410 -8.502 7.325 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.490 -9.759 6.930 1.00 0.00 H new ATOM 381 N LEU A 28 0.740 -7.960 3.591 1.00 0.00 N ATOM 382 CA LEU A 28 1.902 -7.131 3.895 1.00 0.00 C ATOM 383 C LEU A 28 1.715 -6.395 5.217 1.00 0.00 C ATOM 384 O LEU A 28 0.645 -6.450 5.825 1.00 0.00 O ATOM 385 CB LEU A 28 2.144 -6.125 2.768 1.00 0.00 C ATOM 386 CG LEU A 28 2.702 -6.698 1.465 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.489 -5.723 0.318 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.179 -7.030 1.618 1.00 0.00 C ATOM 0 H LEU A 28 -0.103 -7.435 3.359 1.00 0.00 H new ATOM 0 HA LEU A 28 2.770 -7.784 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.202 -5.624 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.833 -5.362 3.131 1.00 0.00 H new ATOM 0 HG LEU A 28 2.165 -7.618 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.893 -6.148 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.423 -5.535 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.999 -4.785 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.559 -7.437 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.731 -6.125 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.306 -7.767 2.411 1.00 0.00 H new ATOM 400 N PHE A 29 2.761 -5.704 5.658 1.00 0.00 N ATOM 401 CA PHE A 29 2.712 -4.956 6.908 1.00 0.00 C ATOM 402 C PHE A 29 2.896 -3.462 6.655 1.00 0.00 C ATOM 403 O PHE A 29 4.001 -3.000 6.370 1.00 0.00 O ATOM 404 CB PHE A 29 3.790 -5.458 7.871 1.00 0.00 C ATOM 405 CG PHE A 29 3.504 -6.821 8.433 1.00 0.00 C ATOM 406 CD1 PHE A 29 3.339 -7.911 7.593 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.399 -7.013 9.801 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.075 -9.166 8.107 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.137 -8.266 10.321 1.00 0.00 C ATOM 410 CZ PHE A 29 2.973 -9.344 9.472 1.00 0.00 C ATOM 0 H PHE A 29 3.653 -5.647 5.167 1.00 0.00 H new ATOM 0 HA PHE A 29 1.732 -5.113 7.358 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.748 -5.482 7.351 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.891 -4.749 8.693 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.418 -7.778 6.524 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.523 -6.173 10.469 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.949 -10.007 7.441 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.060 -8.403 11.390 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.765 -10.324 9.876 1.00 0.00 H new ATOM 420 N LYS A 30 1.805 -2.711 6.761 1.00 0.00 N ATOM 421 CA LYS A 30 1.844 -1.270 6.545 1.00 0.00 C ATOM 422 C LYS A 30 2.294 -0.542 7.808 1.00 0.00 C ATOM 423 O LYS A 30 1.616 -0.584 8.833 1.00 0.00 O ATOM 424 CB LYS A 30 0.466 -0.761 6.115 1.00 0.00 C ATOM 425 CG LYS A 30 0.514 0.548 5.346 1.00 0.00 C ATOM 426 CD LYS A 30 -0.829 1.259 5.372 1.00 0.00 C ATOM 427 CE LYS A 30 -1.697 0.854 4.190 1.00 0.00 C ATOM 428 NZ LYS A 30 -1.374 1.642 2.969 1.00 0.00 N ATOM 0 H LYS A 30 0.882 -3.077 6.995 1.00 0.00 H new ATOM 0 HA LYS A 30 2.564 -1.066 5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.015 -1.519 5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.156 -0.630 7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.278 1.196 5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.804 0.354 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.347 1.026 6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.671 2.337 5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.558 -0.207 3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.747 0.995 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.244 1.811 2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.956 2.554 3.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.696 1.113 2.384 1.00 0.00 H new ATOM 442 N GLN A 31 3.441 0.124 7.724 1.00 0.00 N ATOM 443 CA GLN A 31 3.981 0.861 8.860 1.00 0.00 C ATOM 444 C GLN A 31 2.948 1.836 9.416 1.00 0.00 C ATOM 445 O GLN A 31 1.996 2.205 8.730 1.00 0.00 O ATOM 446 CB GLN A 31 5.245 1.618 8.450 1.00 0.00 C ATOM 447 CG GLN A 31 6.247 1.785 9.581 1.00 0.00 C ATOM 448 CD GLN A 31 7.172 2.968 9.371 1.00 0.00 C ATOM 449 OE1 GLN A 31 8.384 2.696 8.900 1.00 0.00 O flip ATOM 450 NE2 GLN A 31 6.802 4.114 9.629 1.00 0.00 N flip ATOM 0 H GLN A 31 4.014 0.168 6.881 1.00 0.00 H new ATOM 0 HA GLN A 31 4.234 0.143 9.640 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.724 1.089 7.626 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.964 2.603 8.076 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.710 1.911 10.521 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.841 0.876 9.672 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.862 4.277 9.989 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.436 4.900 9.482 1.00 0.00 H new ATOM 459 N ALA A 32 3.144 2.250 10.664 1.00 0.00 N ATOM 460 CA ALA A 32 2.231 3.183 11.312 1.00 0.00 C ATOM 461 C ALA A 32 2.765 4.610 11.245 1.00 0.00 C ATOM 462 O ALA A 32 3.874 4.845 10.764 1.00 0.00 O ATOM 463 CB ALA A 32 1.995 2.773 12.758 1.00 0.00 C ATOM 0 H ALA A 32 3.927 1.954 11.246 1.00 0.00 H new ATOM 0 HA ALA A 32 1.281 3.153 10.778 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.311 3.479 13.229 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.561 1.773 12.787 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.943 2.773 13.295 1.00 0.00 H new ATOM 536 N GLN A 38 4.469 0.612 15.589 1.00 0.00 N ATOM 537 CA GLN A 38 4.180 -0.802 15.382 1.00 0.00 C ATOM 538 C GLN A 38 3.528 -1.031 14.022 1.00 0.00 C ATOM 539 O GLN A 38 2.472 -0.472 13.728 1.00 0.00 O ATOM 540 CB GLN A 38 3.268 -1.325 16.493 1.00 0.00 C ATOM 541 CG GLN A 38 1.812 -0.919 16.327 1.00 0.00 C ATOM 542 CD GLN A 38 0.967 -1.271 17.535 1.00 0.00 C ATOM 543 OE1 GLN A 38 0.091 -2.133 17.464 1.00 0.00 O ATOM 544 NE2 GLN A 38 1.225 -0.603 18.653 1.00 0.00 N ATOM 0 HA GLN A 38 5.123 -1.348 15.408 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.332 -2.413 16.522 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.632 -0.958 17.453 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.756 0.155 16.150 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.400 -1.409 15.445 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.961 0.103 18.667 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.688 -0.796 19.498 1.00 0.00 H new ATOM 553 N TRP A 39 4.164 -1.856 13.198 1.00 0.00 N ATOM 554 CA TRP A 39 3.646 -2.158 11.869 1.00 0.00 C ATOM 555 C TRP A 39 2.273 -2.816 11.957 1.00 0.00 C ATOM 556 O TRP A 39 2.011 -3.606 12.863 1.00 0.00 O ATOM 557 CB TRP A 39 4.616 -3.071 11.117 1.00 0.00 C ATOM 558 CG TRP A 39 5.980 -2.474 10.943 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.950 -2.356 11.897 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.523 -1.912 9.743 1.00 0.00 C ATOM 561 NE1 TRP A 39 8.064 -1.755 11.362 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.828 -1.473 10.043 1.00 0.00 C ATOM 563 CE3 TRP A 39 6.035 -1.738 8.446 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.647 -0.872 9.091 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.849 -1.141 7.502 1.00 0.00 C ATOM 566 CH2 TRP A 39 8.144 -0.714 7.828 1.00 0.00 C ATOM 0 H TRP A 39 5.039 -2.328 13.427 1.00 0.00 H new ATOM 0 HA TRP A 39 3.544 -1.220 11.323 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.706 -4.015 11.655 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.200 -3.302 10.136 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.856 -2.686 12.921 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.927 -1.552 11.866 1.00 0.00 H new ATOM 0 HE3 TRP A 39 5.039 -2.064 8.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.645 -0.542 9.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.481 -1.001 6.496 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.756 -0.252 7.068 1.00 0.00 H new ATOM 577 N ASN A 40 1.402 -2.486 11.009 1.00 0.00 N ATOM 578 CA ASN A 40 0.056 -3.046 10.981 1.00 0.00 C ATOM 579 C ASN A 40 -0.110 -4.004 9.805 1.00 0.00 C ATOM 580 O ASN A 40 -0.099 -3.590 8.645 1.00 0.00 O ATOM 581 CB ASN A 40 -0.983 -1.926 10.891 1.00 0.00 C ATOM 582 CG ASN A 40 -0.659 -0.762 11.807 1.00 0.00 C ATOM 583 OD1 ASN A 40 -0.419 0.355 11.349 1.00 0.00 O ATOM 584 ND2 ASN A 40 -0.649 -1.020 13.110 1.00 0.00 N ATOM 0 H ASN A 40 1.604 -1.834 10.251 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.098 -3.603 11.905 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.041 -1.570 9.862 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.965 -2.324 11.147 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.436 -0.277 13.775 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.854 -1.961 13.445 1.00 0.00 H new ATOM 591 N LYS A 41 -0.266 -5.287 10.112 1.00 0.00 N ATOM 592 CA LYS A 41 -0.436 -6.306 9.082 1.00 0.00 C ATOM 593 C LYS A 41 -1.858 -6.289 8.531 1.00 0.00 C ATOM 594 O LYS A 41 -2.822 -6.498 9.267 1.00 0.00 O ATOM 595 CB LYS A 41 -0.114 -7.691 9.647 1.00 0.00 C ATOM 596 CG LYS A 41 -0.164 -8.798 8.609 1.00 0.00 C ATOM 597 CD LYS A 41 -0.306 -10.165 9.258 1.00 0.00 C ATOM 598 CE LYS A 41 -0.808 -11.203 8.266 1.00 0.00 C ATOM 599 NZ LYS A 41 -0.402 -12.583 8.654 1.00 0.00 N ATOM 0 H LYS A 41 -0.278 -5.647 11.066 1.00 0.00 H new ATOM 0 HA LYS A 41 0.254 -6.083 8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.879 -7.669 10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.819 -7.921 10.446 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.002 -8.626 7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.743 -8.773 8.005 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.657 -10.480 9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.996 -10.100 10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.895 -11.149 8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.419 -10.975 7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.763 -13.261 7.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.636 -12.642 8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.795 -12.810 9.590 1.00 0.00 H new ATOM 613 N ARG A 42 -1.981 -6.040 7.231 1.00 0.00 N ATOM 614 CA ARG A 42 -3.286 -5.997 6.581 1.00 0.00 C ATOM 615 C ARG A 42 -3.224 -6.633 5.196 1.00 0.00 C ATOM 616 O ARG A 42 -2.143 -6.891 4.668 1.00 0.00 O ATOM 617 CB ARG A 42 -3.776 -4.552 6.470 1.00 0.00 C ATOM 618 CG ARG A 42 -4.005 -3.881 7.814 1.00 0.00 C ATOM 619 CD ARG A 42 -5.430 -4.089 8.304 1.00 0.00 C ATOM 620 NE ARG A 42 -5.522 -4.028 9.760 1.00 0.00 N ATOM 621 CZ ARG A 42 -5.643 -2.894 10.442 1.00 0.00 C ATOM 622 NH1 ARG A 42 -5.686 -1.733 9.802 1.00 0.00 N ATOM 623 NH2 ARG A 42 -5.721 -2.920 11.767 1.00 0.00 N ATOM 0 H ARG A 42 -1.193 -5.865 6.607 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.988 -6.565 7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.047 -3.973 5.904 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.706 -4.535 5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.305 -4.282 8.547 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.800 -2.814 7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.078 -3.329 7.868 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.795 -5.056 7.958 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.492 -4.904 10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.626 -1.709 8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.779 -0.864 10.328 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.688 -3.811 12.262 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.814 -2.049 12.290 1.00 0.00 H new ATOM 637 N TRP A 43 -4.391 -6.883 4.613 1.00 0.00 N ATOM 638 CA TRP A 43 -4.470 -7.489 3.289 1.00 0.00 C ATOM 639 C TRP A 43 -4.251 -6.446 2.199 1.00 0.00 C ATOM 640 O TRP A 43 -5.041 -5.513 2.050 1.00 0.00 O ATOM 641 CB TRP A 43 -5.827 -8.168 3.097 1.00 0.00 C ATOM 642 CG TRP A 43 -5.924 -8.951 1.822 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.888 -8.836 0.861 1.00 0.00 C ATOM 644 CD2 TRP A 43 -5.025 -9.970 1.371 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.642 -9.722 -0.160 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.504 -10.428 0.128 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.860 -10.537 1.895 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.859 -11.428 -0.595 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.222 -11.530 1.176 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.721 -11.966 -0.058 1.00 0.00 C ATOM 0 H TRP A 43 -5.295 -6.675 5.036 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.682 -8.238 3.212 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.014 -8.834 3.939 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.610 -7.410 3.110 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.721 -8.150 0.898 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.214 -9.836 -0.997 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.466 -10.205 2.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.243 -11.767 -1.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.323 -11.978 1.573 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.197 -12.742 -0.596 1.00 0.00 H new ATOM 661 N PHE A 44 -3.174 -6.609 1.438 1.00 0.00 N ATOM 662 CA PHE A 44 -2.851 -5.680 0.361 1.00 0.00 C ATOM 663 C PHE A 44 -3.275 -6.247 -0.991 1.00 0.00 C ATOM 664 O PHE A 44 -3.061 -7.425 -1.278 1.00 0.00 O ATOM 665 CB PHE A 44 -1.351 -5.378 0.352 1.00 0.00 C ATOM 666 CG PHE A 44 -0.967 -4.227 1.237 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.475 -4.123 2.522 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.096 -3.248 0.785 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.124 -3.065 3.338 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.259 -2.187 1.596 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.254 -2.096 2.875 1.00 0.00 C ATOM 0 H PHE A 44 -2.510 -7.376 1.547 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.400 -4.755 0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.807 -6.268 0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.038 -5.161 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.154 -4.878 2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.310 -3.315 -0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.529 -2.995 4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.937 -1.430 1.230 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.024 -1.269 3.512 1.00 0.00 H new ATOM 681 N VAL A 45 -3.877 -5.399 -1.819 1.00 0.00 N ATOM 682 CA VAL A 45 -4.331 -5.813 -3.141 1.00 0.00 C ATOM 683 C VAL A 45 -4.034 -4.742 -4.185 1.00 0.00 C ATOM 684 O VAL A 45 -4.405 -3.579 -4.020 1.00 0.00 O ATOM 685 CB VAL A 45 -5.841 -6.115 -3.147 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.318 -6.425 -4.558 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.157 -7.265 -2.203 1.00 0.00 C ATOM 0 H VAL A 45 -4.062 -4.421 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.785 -6.722 -3.392 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.373 -5.231 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.387 -6.636 -4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.127 -5.568 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.782 -7.294 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.228 -7.465 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.616 -8.156 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.853 -6.999 -1.191 1.00 0.00 H new ATOM 697 N LEU A 46 -3.363 -5.141 -5.259 1.00 0.00 N ATOM 698 CA LEU A 46 -3.016 -4.215 -6.332 1.00 0.00 C ATOM 699 C LEU A 46 -3.938 -4.402 -7.532 1.00 0.00 C ATOM 700 O LEU A 46 -3.906 -5.436 -8.199 1.00 0.00 O ATOM 701 CB LEU A 46 -1.560 -4.419 -6.757 1.00 0.00 C ATOM 702 CG LEU A 46 -0.997 -3.390 -7.738 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.918 -2.018 -7.086 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.372 -3.824 -8.239 1.00 0.00 C ATOM 0 H LEU A 46 -3.048 -6.099 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.140 -3.199 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.938 -4.417 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.469 -5.408 -7.206 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.670 -3.325 -8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.515 -1.299 -7.799 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.915 -1.704 -6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.267 -2.067 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.757 -3.080 -8.936 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.055 -3.918 -7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.286 -4.785 -8.746 1.00 0.00 H new ATOM 716 N VAL A 47 -4.760 -3.393 -7.803 1.00 0.00 N ATOM 717 CA VAL A 47 -5.690 -3.444 -8.925 1.00 0.00 C ATOM 718 C VAL A 47 -5.825 -2.078 -9.590 1.00 0.00 C ATOM 719 O VAL A 47 -5.946 -1.056 -8.913 1.00 0.00 O ATOM 720 CB VAL A 47 -7.083 -3.925 -8.478 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.136 -3.538 -9.505 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.078 -5.428 -8.247 1.00 0.00 C ATOM 0 H VAL A 47 -4.801 -2.530 -7.261 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.281 -4.155 -9.643 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.333 -3.437 -7.536 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.114 -3.886 -9.172 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.155 -2.454 -9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.895 -3.996 -10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.070 -5.751 -7.932 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.808 -5.937 -9.172 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.353 -5.675 -7.472 1.00 0.00 H new ATOM 732 N ASP A 48 -5.803 -2.068 -10.918 1.00 0.00 N ATOM 733 CA ASP A 48 -5.925 -0.828 -11.675 1.00 0.00 C ATOM 734 C ASP A 48 -4.815 0.149 -11.299 1.00 0.00 C ATOM 735 O ASP A 48 -5.081 1.290 -10.921 1.00 0.00 O ATOM 736 CB ASP A 48 -7.291 -0.187 -11.429 1.00 0.00 C ATOM 737 CG ASP A 48 -7.647 0.841 -12.485 1.00 0.00 C ATOM 738 OD1 ASP A 48 -7.792 0.455 -13.663 1.00 0.00 O ATOM 739 OD2 ASP A 48 -7.781 2.032 -12.133 1.00 0.00 O ATOM 0 H ASP A 48 -5.702 -2.905 -11.493 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.831 -1.067 -12.734 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.055 -0.964 -11.410 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.295 0.288 -10.448 1.00 0.00 H new ATOM 744 N ARG A 49 -3.571 -0.307 -11.405 1.00 0.00 N ATOM 745 CA ARG A 49 -2.422 0.526 -11.074 1.00 0.00 C ATOM 746 C ARG A 49 -2.654 1.278 -9.766 1.00 0.00 C ATOM 747 O ARG A 49 -2.123 2.371 -9.565 1.00 0.00 O ATOM 748 CB ARG A 49 -2.143 1.520 -12.203 1.00 0.00 C ATOM 749 CG ARG A 49 -1.569 0.875 -13.454 1.00 0.00 C ATOM 750 CD ARG A 49 -0.661 1.834 -14.209 1.00 0.00 C ATOM 751 NE ARG A 49 -0.501 1.448 -15.608 1.00 0.00 N ATOM 752 CZ ARG A 49 0.540 1.804 -16.353 1.00 0.00 C ATOM 753 NH1 ARG A 49 1.507 2.548 -15.836 1.00 0.00 N ATOM 754 NH2 ARG A 49 0.615 1.413 -17.620 1.00 0.00 N ATOM 0 H ARG A 49 -3.334 -1.249 -11.717 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.557 -0.125 -10.950 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.069 2.033 -12.461 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.448 2.279 -11.844 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.008 -0.019 -13.179 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.382 0.554 -14.105 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.073 2.842 -14.156 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.316 1.864 -13.727 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.227 0.874 -16.036 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.454 2.849 -14.863 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.305 2.819 -16.411 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.127 0.839 -18.021 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.414 1.686 -18.192 1.00 0.00 H new ATOM 768 N CYS A 50 -3.449 0.686 -8.882 1.00 0.00 N ATOM 769 CA CYS A 50 -3.752 1.300 -7.594 1.00 0.00 C ATOM 770 C CYS A 50 -3.646 0.278 -6.467 1.00 0.00 C ATOM 771 O CYS A 50 -3.927 -0.906 -6.659 1.00 0.00 O ATOM 772 CB CYS A 50 -5.153 1.912 -7.615 1.00 0.00 C ATOM 773 SG CYS A 50 -5.497 3.016 -6.225 1.00 0.00 S ATOM 0 H CYS A 50 -3.896 -0.218 -9.033 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.022 2.089 -7.414 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.282 2.465 -8.545 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.889 1.108 -7.617 1.00 0.00 H new ATOM 0 HG CYS A 50 -6.375 2.465 -5.440 1.00 0.00 H new ATOM 779 N LEU A 51 -3.238 0.743 -5.291 1.00 0.00 N ATOM 780 CA LEU A 51 -3.094 -0.131 -4.132 1.00 0.00 C ATOM 781 C LEU A 51 -4.310 -0.027 -3.216 1.00 0.00 C ATOM 782 O LEU A 51 -4.744 1.071 -2.866 1.00 0.00 O ATOM 783 CB LEU A 51 -1.825 0.225 -3.355 1.00 0.00 C ATOM 784 CG LEU A 51 -1.190 -0.909 -2.551 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.252 -0.573 -2.200 1.00 0.00 C ATOM 786 CD2 LEU A 51 -1.996 -1.185 -1.290 1.00 0.00 C ATOM 0 H LEU A 51 -3.001 1.719 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.019 -1.158 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.085 0.602 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.059 1.041 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.193 -1.809 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.687 -1.392 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.825 -0.426 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.278 0.340 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.529 -1.995 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.025 -0.287 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.012 -1.471 -1.563 1.00 0.00 H new ATOM 798 N PHE A 52 -4.854 -1.176 -2.831 1.00 0.00 N ATOM 799 CA PHE A 52 -6.019 -1.215 -1.956 1.00 0.00 C ATOM 800 C PHE A 52 -5.802 -2.193 -0.804 1.00 0.00 C ATOM 801 O PHE A 52 -5.602 -3.388 -1.020 1.00 0.00 O ATOM 802 CB PHE A 52 -7.267 -1.611 -2.748 1.00 0.00 C ATOM 803 CG PHE A 52 -7.484 -0.779 -3.979 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.665 0.591 -3.882 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.508 -1.367 -5.234 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.865 1.360 -5.013 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.707 -0.603 -6.368 1.00 0.00 C ATOM 808 CZ PHE A 52 -7.887 0.762 -6.258 1.00 0.00 C ATOM 0 H PHE A 52 -4.506 -2.093 -3.111 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.163 -0.218 -1.541 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.187 -2.659 -3.037 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.140 -1.524 -2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.650 1.064 -2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.370 -2.434 -5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.004 2.427 -4.923 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.722 -1.073 -7.340 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.045 1.360 -7.143 1.00 0.00 H new ATOM 818 N TYR A 53 -5.843 -1.676 0.418 1.00 0.00 N ATOM 819 CA TYR A 53 -5.649 -2.501 1.604 1.00 0.00 C ATOM 820 C TYR A 53 -6.953 -2.658 2.380 1.00 0.00 C ATOM 821 O TYR A 53 -7.530 -1.678 2.852 1.00 0.00 O ATOM 822 CB TYR A 53 -4.576 -1.889 2.507 1.00 0.00 C ATOM 823 CG TYR A 53 -4.997 -0.587 3.150 1.00 0.00 C ATOM 824 CD1 TYR A 53 -5.741 -0.577 4.323 1.00 0.00 C ATOM 825 CD2 TYR A 53 -4.651 0.634 2.583 1.00 0.00 C ATOM 826 CE1 TYR A 53 -6.128 0.611 4.913 1.00 0.00 C ATOM 827 CE2 TYR A 53 -5.033 1.826 3.167 1.00 0.00 C ATOM 828 CZ TYR A 53 -5.771 1.809 4.332 1.00 0.00 C ATOM 829 OH TYR A 53 -6.155 2.995 4.916 1.00 0.00 O ATOM 0 H TYR A 53 -6.009 -0.689 0.614 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.321 -3.488 1.278 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.319 -2.604 3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.673 -1.720 1.921 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.022 -1.514 4.782 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.074 0.651 1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.707 0.601 5.825 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.755 2.766 2.714 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.490 3.687 4.718 1.00 0.00 H new ATOM 839 N TYR A 54 -7.412 -3.898 2.507 1.00 0.00 N ATOM 840 CA TYR A 54 -8.650 -4.185 3.223 1.00 0.00 C ATOM 841 C TYR A 54 -8.358 -4.758 4.606 1.00 0.00 C ATOM 842 O TYR A 54 -7.438 -5.558 4.779 1.00 0.00 O ATOM 843 CB TYR A 54 -9.511 -5.164 2.424 1.00 0.00 C ATOM 844 CG TYR A 54 -9.811 -4.698 1.017 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.958 -5.007 -0.035 1.00 0.00 C ATOM 846 CD2 TYR A 54 -10.947 -3.948 0.740 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.227 -4.583 -1.322 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.226 -3.521 -0.544 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.363 -3.840 -1.571 1.00 0.00 C ATOM 850 OH TYR A 54 -10.636 -3.415 -2.851 1.00 0.00 O ATOM 0 H TYR A 54 -6.946 -4.720 2.124 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.195 -3.249 3.345 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.003 -6.127 2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.451 -5.324 2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.069 -5.589 0.157 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.624 -3.694 1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.553 -4.831 -2.128 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.115 -2.941 -0.742 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.473 -2.905 -2.855 1.00 0.00 H new ATOM 860 N LYS A 55 -9.150 -4.345 5.590 1.00 0.00 N ATOM 861 CA LYS A 55 -8.980 -4.817 6.959 1.00 0.00 C ATOM 862 C LYS A 55 -8.656 -6.307 6.984 1.00 0.00 C ATOM 863 O LYS A 55 -7.803 -6.753 7.753 1.00 0.00 O ATOM 864 CB LYS A 55 -10.247 -4.546 7.774 1.00 0.00 C ATOM 865 CG LYS A 55 -11.492 -5.199 7.198 1.00 0.00 C ATOM 866 CD LYS A 55 -12.743 -4.769 7.945 1.00 0.00 C ATOM 867 CE LYS A 55 -13.989 -5.421 7.367 1.00 0.00 C ATOM 868 NZ LYS A 55 -14.560 -4.629 6.243 1.00 0.00 N ATOM 0 H LYS A 55 -9.916 -3.684 5.464 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.146 -4.274 7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.097 -4.904 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.407 -3.469 7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.588 -4.936 6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.392 -6.283 7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.648 -5.033 8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.843 -3.685 7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.745 -6.424 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.738 -5.531 8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.408 -5.107 5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.817 -3.680 6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.854 -4.546 5.483 1.00 0.00 H new ATOM 882 N ASP A 56 -9.339 -7.071 6.139 1.00 0.00 N ATOM 883 CA ASP A 56 -9.121 -8.511 6.063 1.00 0.00 C ATOM 884 C ASP A 56 -9.215 -8.999 4.621 1.00 0.00 C ATOM 885 O ASP A 56 -9.356 -8.202 3.694 1.00 0.00 O ATOM 886 CB ASP A 56 -10.141 -9.249 6.932 1.00 0.00 C ATOM 887 CG ASP A 56 -10.060 -8.844 8.391 1.00 0.00 C ATOM 888 OD1 ASP A 56 -8.942 -8.850 8.948 1.00 0.00 O ATOM 889 OD2 ASP A 56 -11.115 -8.520 8.975 1.00 0.00 O ATOM 0 H ASP A 56 -10.048 -6.717 5.497 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.118 -8.722 6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.145 -9.049 6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.977 -10.323 6.847 1.00 0.00 H new ATOM 894 N GLU A 57 -9.133 -10.314 4.440 1.00 0.00 N ATOM 895 CA GLU A 57 -9.207 -10.907 3.110 1.00 0.00 C ATOM 896 C GLU A 57 -10.656 -11.027 2.647 1.00 0.00 C ATOM 897 O GLU A 57 -11.053 -12.038 2.068 1.00 0.00 O ATOM 898 CB GLU A 57 -8.543 -12.285 3.105 1.00 0.00 C ATOM 899 CG GLU A 57 -9.159 -13.262 4.092 1.00 0.00 C ATOM 900 CD GLU A 57 -10.311 -14.046 3.495 1.00 0.00 C ATOM 901 OE1 GLU A 57 -10.143 -14.597 2.387 1.00 0.00 O ATOM 902 OE2 GLU A 57 -11.381 -14.109 4.137 1.00 0.00 O ATOM 0 H GLU A 57 -9.015 -10.988 5.197 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.676 -10.253 2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.608 -12.706 2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.484 -12.169 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.392 -13.956 4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.511 -12.715 4.967 1.00 0.00 H new ATOM 909 N LYS A 58 -11.442 -9.988 2.908 1.00 0.00 N ATOM 910 CA LYS A 58 -12.847 -9.974 2.519 1.00 0.00 C ATOM 911 C LYS A 58 -13.049 -9.173 1.236 1.00 0.00 C ATOM 912 O LYS A 58 -13.920 -9.490 0.427 1.00 0.00 O ATOM 913 CB LYS A 58 -13.703 -9.383 3.641 1.00 0.00 C ATOM 914 CG LYS A 58 -13.729 -10.235 4.899 1.00 0.00 C ATOM 915 CD LYS A 58 -14.881 -11.226 4.876 1.00 0.00 C ATOM 916 CE LYS A 58 -15.113 -11.841 6.248 1.00 0.00 C ATOM 917 NZ LYS A 58 -15.950 -10.966 7.114 1.00 0.00 N ATOM 0 H LYS A 58 -11.129 -9.144 3.388 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.157 -11.003 2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.325 -8.392 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.723 -9.253 3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.786 -10.773 4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.819 -9.591 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.789 -10.723 4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.670 -12.014 4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.598 -12.810 6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.153 -12.020 6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.085 -11.421 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.475 -10.050 7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.876 -10.815 6.664 1.00 0.00 H new ATOM 931 N GLU A 59 -12.236 -8.137 1.057 1.00 0.00 N ATOM 932 CA GLU A 59 -12.326 -7.292 -0.128 1.00 0.00 C ATOM 933 C GLU A 59 -13.740 -6.745 -0.300 1.00 0.00 C ATOM 934 O GLU A 59 -14.313 -6.809 -1.387 1.00 0.00 O ATOM 935 CB GLU A 59 -11.917 -8.079 -1.375 1.00 0.00 C ATOM 936 CG GLU A 59 -10.442 -8.443 -1.408 1.00 0.00 C ATOM 937 CD GLU A 59 -10.092 -9.354 -2.568 1.00 0.00 C ATOM 938 OE1 GLU A 59 -10.679 -10.453 -2.657 1.00 0.00 O ATOM 939 OE2 GLU A 59 -9.231 -8.969 -3.387 1.00 0.00 O ATOM 0 H GLU A 59 -11.508 -7.863 1.717 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.643 -6.452 0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.509 -8.992 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.157 -7.491 -2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.848 -7.531 -1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.171 -8.932 -0.472 1.00 0.00 H new ATOM 946 N GLU A 60 -14.296 -6.207 0.781 1.00 0.00 N ATOM 947 CA GLU A 60 -15.643 -5.650 0.750 1.00 0.00 C ATOM 948 C GLU A 60 -15.602 -4.125 0.780 1.00 0.00 C ATOM 949 O GLU A 60 -16.020 -3.464 -0.170 1.00 0.00 O ATOM 950 CB GLU A 60 -16.462 -6.173 1.933 1.00 0.00 C ATOM 951 CG GLU A 60 -16.772 -7.658 1.850 1.00 0.00 C ATOM 952 CD GLU A 60 -18.037 -7.947 1.065 1.00 0.00 C ATOM 953 OE1 GLU A 60 -18.910 -7.057 0.999 1.00 0.00 O ATOM 954 OE2 GLU A 60 -18.153 -9.063 0.516 1.00 0.00 O ATOM 0 H GLU A 60 -13.835 -6.145 1.689 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.118 -5.965 -0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.918 -5.975 2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.398 -5.618 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.933 -8.175 1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.874 -8.061 2.858 1.00 0.00 H new ATOM 961 N SER A 61 -15.097 -3.574 1.879 1.00 0.00 N ATOM 962 CA SER A 61 -15.005 -2.127 2.035 1.00 0.00 C ATOM 963 C SER A 61 -13.549 -1.671 2.029 1.00 0.00 C ATOM 964 O SER A 61 -12.716 -2.207 2.761 1.00 0.00 O ATOM 965 CB SER A 61 -15.682 -1.690 3.336 1.00 0.00 C ATOM 966 OG SER A 61 -16.198 -0.374 3.225 1.00 0.00 O ATOM 0 H SER A 61 -14.745 -4.107 2.674 1.00 0.00 H new ATOM 0 HA SER A 61 -15.517 -1.662 1.192 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.489 -2.381 3.580 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.965 -1.735 4.156 1.00 0.00 H new ATOM 0 HG SER A 61 -16.627 -0.119 4.068 1.00 0.00 H new ATOM 972 N ILE A 62 -13.250 -0.680 1.196 1.00 0.00 N ATOM 973 CA ILE A 62 -11.896 -0.151 1.094 1.00 0.00 C ATOM 974 C ILE A 62 -11.621 0.874 2.190 1.00 0.00 C ATOM 975 O ILE A 62 -12.284 1.910 2.267 1.00 0.00 O ATOM 976 CB ILE A 62 -11.649 0.504 -0.278 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.819 -0.526 -1.397 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.260 1.123 -0.328 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.925 0.090 -2.774 1.00 0.00 C ATOM 0 H ILE A 62 -13.927 -0.227 0.582 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.218 -0.996 1.212 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.384 1.296 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.973 -1.213 -1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.714 -1.117 -1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.101 1.582 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.172 1.883 0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.510 0.349 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.044 -0.698 -3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.788 0.755 -2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -11.020 0.658 -2.989 1.00 0.00 H new ATOM 991 N LEU A 63 -10.640 0.579 3.036 1.00 0.00 N ATOM 992 CA LEU A 63 -10.276 1.475 4.127 1.00 0.00 C ATOM 993 C LEU A 63 -9.479 2.668 3.609 1.00 0.00 C ATOM 994 O LEU A 63 -9.738 3.811 3.986 1.00 0.00 O ATOM 995 CB LEU A 63 -9.462 0.723 5.181 1.00 0.00 C ATOM 996 CG LEU A 63 -10.101 -0.549 5.741 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.137 -1.263 6.676 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.400 -0.220 6.461 1.00 0.00 C ATOM 0 H LEU A 63 -10.083 -0.274 2.987 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.195 1.845 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.497 0.460 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.264 1.402 6.011 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.329 -1.215 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.609 -2.166 7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.233 -1.532 6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.878 -0.603 7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.841 -1.137 6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.196 0.465 7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.095 0.247 5.763 1.00 0.00 H new ATOM 1010 N GLY A 64 -8.510 2.395 2.741 1.00 0.00 N ATOM 1011 CA GLY A 64 -7.692 3.456 2.184 1.00 0.00 C ATOM 1012 C GLY A 64 -7.047 3.062 0.870 1.00 0.00 C ATOM 1013 O GLY A 64 -6.496 1.968 0.745 1.00 0.00 O ATOM 0 H GLY A 64 -8.277 1.458 2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.307 4.343 2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.916 3.726 2.900 1.00 0.00 H new ATOM 1017 N SER A 65 -7.116 3.954 -0.113 1.00 0.00 N ATOM 1018 CA SER A 65 -6.538 3.691 -1.426 1.00 0.00 C ATOM 1019 C SER A 65 -5.437 4.697 -1.746 1.00 0.00 C ATOM 1020 O SER A 65 -5.608 5.902 -1.557 1.00 0.00 O ATOM 1021 CB SER A 65 -7.623 3.744 -2.503 1.00 0.00 C ATOM 1022 OG SER A 65 -8.398 4.925 -2.388 1.00 0.00 O ATOM 0 H SER A 65 -7.566 4.865 -0.025 1.00 0.00 H new ATOM 0 HA SER A 65 -6.100 2.693 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.162 3.702 -3.490 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.270 2.871 -2.416 1.00 0.00 H new ATOM 0 HG SER A 65 -9.083 4.936 -3.088 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.307 4.193 -2.231 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.178 5.047 -2.579 1.00 0.00 C ATOM 1030 C ILE A 66 -2.826 4.918 -4.057 1.00 0.00 C ATOM 1031 O ILE A 66 -2.505 3.837 -4.552 1.00 0.00 O ATOM 1032 CB ILE A 66 -1.935 4.708 -1.735 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -2.305 4.623 -0.253 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -0.846 5.747 -1.956 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -2.718 3.236 0.188 1.00 0.00 C ATOM 0 H ILE A 66 -4.149 3.198 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.481 6.073 -2.369 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.553 3.737 -2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.453 4.947 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.120 5.318 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.026 5.494 -1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.567 5.763 -3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.216 6.730 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.966 3.250 1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.589 2.917 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.897 2.540 0.017 1.00 0.00 H new ATOM 1047 N PRO A 67 -2.886 6.046 -4.780 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.574 6.086 -6.212 1.00 0.00 C ATOM 1049 C PRO A 67 -1.090 5.871 -6.489 1.00 0.00 C ATOM 1050 O PRO A 67 -0.346 6.826 -6.716 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.997 7.497 -6.628 1.00 0.00 C ATOM 1052 CG PRO A 67 -2.905 8.304 -5.379 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.261 7.370 -4.256 1.00 0.00 C ATOM 0 HA PRO A 67 -3.083 5.294 -6.762 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.343 7.894 -7.405 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.010 7.504 -7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.901 8.707 -5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.588 9.153 -5.412 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.714 7.611 -3.345 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.322 7.420 -4.013 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.666 4.612 -6.469 1.00 0.00 N ATOM 1062 CA LEU A 68 0.731 4.272 -6.718 1.00 0.00 C ATOM 1063 C LEU A 68 1.227 4.917 -8.008 1.00 0.00 C ATOM 1064 O LEU A 68 2.395 5.291 -8.119 1.00 0.00 O ATOM 1065 CB LEU A 68 0.900 2.753 -6.796 1.00 0.00 C ATOM 1066 CG LEU A 68 0.648 1.982 -5.500 1.00 0.00 C ATOM 1067 CD1 LEU A 68 0.590 0.487 -5.772 1.00 0.00 C ATOM 1068 CD2 LEU A 68 1.725 2.299 -4.474 1.00 0.00 C ATOM 0 H LEU A 68 -1.269 3.810 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 68 1.326 4.656 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.223 2.371 -7.560 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.914 2.537 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.314 2.294 -5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.410 -0.046 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.218 0.276 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.537 0.158 -6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.530 1.742 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.700 2.016 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.718 3.367 -4.257 1.00 0.00 H new ATOM 1080 N LEU A 69 0.331 5.047 -8.981 1.00 0.00 N ATOM 1081 CA LEU A 69 0.677 5.650 -10.263 1.00 0.00 C ATOM 1082 C LEU A 69 1.402 6.977 -10.064 1.00 0.00 C ATOM 1083 O LEU A 69 2.064 7.477 -10.973 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.583 5.865 -11.104 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.487 6.930 -12.197 1.00 0.00 C ATOM 1086 CD1 LEU A 69 0.269 6.391 -13.402 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.874 7.404 -12.604 1.00 0.00 C ATOM 0 H LEU A 69 -0.640 4.743 -8.906 1.00 0.00 H new ATOM 0 HA LEU A 69 1.346 4.968 -10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.850 4.917 -11.571 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.401 6.132 -10.435 1.00 0.00 H new ATOM 0 HG LEU A 69 0.064 7.782 -11.799 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.327 7.163 -14.170 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.276 6.102 -13.100 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.254 5.522 -13.800 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.786 8.162 -13.383 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.450 6.560 -12.983 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.381 7.831 -11.739 1.00 0.00 H new ATOM 1099 N SER A 70 1.273 7.541 -8.867 1.00 0.00 N ATOM 1100 CA SER A 70 1.915 8.811 -8.548 1.00 0.00 C ATOM 1101 C SER A 70 2.822 8.671 -7.329 1.00 0.00 C ATOM 1102 O SER A 70 2.782 9.492 -6.413 1.00 0.00 O ATOM 1103 CB SER A 70 0.860 9.889 -8.291 1.00 0.00 C ATOM 1104 OG SER A 70 0.107 10.155 -9.462 1.00 0.00 O ATOM 0 H SER A 70 0.730 7.139 -8.103 1.00 0.00 H new ATOM 0 HA SER A 70 2.526 9.105 -9.402 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.193 9.566 -7.491 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.346 10.804 -7.951 1.00 0.00 H new ATOM 0 HG SER A 70 -0.561 10.846 -9.271 1.00 0.00 H new ATOM 1110 N PHE A 71 3.639 7.623 -7.326 1.00 0.00 N ATOM 1111 CA PHE A 71 4.556 7.372 -6.220 1.00 0.00 C ATOM 1112 C PHE A 71 5.842 6.718 -6.717 1.00 0.00 C ATOM 1113 O PHE A 71 5.914 6.251 -7.854 1.00 0.00 O ATOM 1114 CB PHE A 71 3.890 6.480 -5.169 1.00 0.00 C ATOM 1115 CG PHE A 71 3.025 7.237 -4.202 1.00 0.00 C ATOM 1116 CD1 PHE A 71 1.793 7.733 -4.597 1.00 0.00 C ATOM 1117 CD2 PHE A 71 3.444 7.452 -2.899 1.00 0.00 C ATOM 1118 CE1 PHE A 71 0.995 8.430 -3.709 1.00 0.00 C ATOM 1119 CE2 PHE A 71 2.650 8.148 -2.007 1.00 0.00 C ATOM 1120 CZ PHE A 71 1.424 8.637 -2.412 1.00 0.00 C ATOM 0 H PHE A 71 3.685 6.934 -8.077 1.00 0.00 H new ATOM 0 HA PHE A 71 4.808 8.330 -5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.284 5.727 -5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.662 5.948 -4.614 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.452 7.573 -5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.402 7.071 -2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.037 8.812 -4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.988 8.309 -0.994 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.802 9.180 -1.716 1.00 0.00 H new ATOM 1130 N ARG A 72 6.855 6.690 -5.857 1.00 0.00 N ATOM 1131 CA ARG A 72 8.139 6.096 -6.209 1.00 0.00 C ATOM 1132 C ARG A 72 8.514 4.991 -5.225 1.00 0.00 C ATOM 1133 O ARG A 72 9.198 5.237 -4.231 1.00 0.00 O ATOM 1134 CB ARG A 72 9.232 7.166 -6.231 1.00 0.00 C ATOM 1135 CG ARG A 72 9.236 8.006 -7.498 1.00 0.00 C ATOM 1136 CD ARG A 72 10.275 9.115 -7.428 1.00 0.00 C ATOM 1137 NE ARG A 72 11.602 8.646 -7.816 1.00 0.00 N ATOM 1138 CZ ARG A 72 12.563 9.447 -8.262 1.00 0.00 C ATOM 1139 NH1 ARG A 72 12.345 10.749 -8.377 1.00 0.00 N ATOM 1140 NH2 ARG A 72 13.746 8.945 -8.595 1.00 0.00 N ATOM 0 H ARG A 72 6.811 7.072 -4.912 1.00 0.00 H new ATOM 0 HA ARG A 72 8.048 5.659 -7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.104 7.822 -5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.203 6.684 -6.122 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.440 7.368 -8.358 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.248 8.441 -7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.975 9.935 -8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.313 9.513 -6.414 1.00 0.00 H new ATOM 0 HE ARG A 72 11.802 7.649 -7.740 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.437 11.139 -8.123 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.085 11.362 -8.720 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.918 7.943 -8.508 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.483 9.561 -8.937 1.00 0.00 H new ATOM 1154 N VAL A 73 8.063 3.774 -5.510 1.00 0.00 N ATOM 1155 CA VAL A 73 8.351 2.631 -4.651 1.00 0.00 C ATOM 1156 C VAL A 73 9.835 2.285 -4.678 1.00 0.00 C ATOM 1157 O VAL A 73 10.493 2.408 -5.711 1.00 0.00 O ATOM 1158 CB VAL A 73 7.538 1.393 -5.073 1.00 0.00 C ATOM 1159 CG1 VAL A 73 7.694 0.278 -4.050 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.072 1.756 -5.258 1.00 0.00 C ATOM 0 H VAL A 73 7.497 3.554 -6.329 1.00 0.00 H new ATOM 0 HA VAL A 73 8.065 2.915 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 73 7.923 1.035 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.113 -0.589 -4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.745 0.001 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.336 0.622 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.512 0.869 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.671 2.140 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.981 2.519 -6.031 1.00 0.00 H new ATOM 1170 N ALA A 74 10.357 1.849 -3.536 1.00 0.00 N ATOM 1171 CA ALA A 74 11.763 1.482 -3.429 1.00 0.00 C ATOM 1172 C ALA A 74 12.075 0.901 -2.054 1.00 0.00 C ATOM 1173 O ALA A 74 11.429 1.242 -1.064 1.00 0.00 O ATOM 1174 CB ALA A 74 12.647 2.689 -3.707 1.00 0.00 C ATOM 0 H ALA A 74 9.826 1.741 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 74 11.970 0.715 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.695 2.400 -3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.452 3.059 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.429 3.474 -2.983 1.00 0.00 H new ATOM 1180 N ALA A 75 13.070 0.021 -2.001 1.00 0.00 N ATOM 1181 CA ALA A 75 13.468 -0.607 -0.747 1.00 0.00 C ATOM 1182 C ALA A 75 13.999 0.427 0.240 1.00 0.00 C ATOM 1183 O ALA A 75 14.503 1.477 -0.157 1.00 0.00 O ATOM 1184 CB ALA A 75 14.516 -1.680 -1.004 1.00 0.00 C ATOM 0 H ALA A 75 13.615 -0.273 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 75 12.587 -1.073 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.804 -2.141 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.103 -2.440 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.392 -1.229 -1.470 1.00 0.00 H new ATOM 1190 N VAL A 76 13.881 0.123 1.529 1.00 0.00 N ATOM 1191 CA VAL A 76 14.349 1.026 2.573 1.00 0.00 C ATOM 1192 C VAL A 76 15.871 1.114 2.582 1.00 0.00 C ATOM 1193 O VAL A 76 16.550 0.348 1.899 1.00 0.00 O ATOM 1194 CB VAL A 76 13.863 0.576 3.964 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.394 0.922 4.154 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.097 -0.915 4.152 1.00 0.00 C ATOM 0 H VAL A 76 13.465 -0.742 1.875 1.00 0.00 H new ATOM 0 HA VAL A 76 13.933 2.009 2.351 1.00 0.00 H new ATOM 0 HB VAL A 76 14.438 1.109 4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.068 0.597 5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.260 2.000 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.800 0.418 3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.748 -1.216 5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.549 -1.468 3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.162 -1.130 4.062 1.00 0.00 H new ATOM 1206 N GLN A 77 16.400 2.052 3.362 1.00 0.00 N ATOM 1207 CA GLN A 77 17.842 2.239 3.459 1.00 0.00 C ATOM 1208 C GLN A 77 18.320 2.047 4.895 1.00 0.00 C ATOM 1209 O GLN A 77 17.549 2.140 5.850 1.00 0.00 O ATOM 1210 CB GLN A 77 18.232 3.633 2.963 1.00 0.00 C ATOM 1211 CG GLN A 77 18.428 3.709 1.457 1.00 0.00 C ATOM 1212 CD GLN A 77 19.396 4.803 1.050 1.00 0.00 C ATOM 1213 OE1 GLN A 77 20.522 4.867 1.543 1.00 0.00 O ATOM 1214 NE2 GLN A 77 18.961 5.671 0.144 1.00 0.00 N ATOM 0 H GLN A 77 15.852 2.693 3.935 1.00 0.00 H new ATOM 0 HA GLN A 77 18.323 1.489 2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.460 4.344 3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.153 3.941 3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.796 2.750 1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.465 3.884 0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.020 5.580 -0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 77 19.568 6.428 -0.170 1.00 0.00 H new ATOM 1223 N PRO A 78 19.623 1.771 5.053 1.00 0.00 N ATOM 1224 CA PRO A 78 20.234 1.559 6.369 1.00 0.00 C ATOM 1225 C PRO A 78 20.305 2.844 7.188 1.00 0.00 C ATOM 1226 O PRO A 78 20.825 2.851 8.304 1.00 0.00 O ATOM 1227 CB PRO A 78 21.641 1.061 6.031 1.00 0.00 C ATOM 1228 CG PRO A 78 21.923 1.612 4.676 1.00 0.00 C ATOM 1229 CD PRO A 78 20.602 1.645 3.960 1.00 0.00 C ATOM 0 HA PRO A 78 19.657 0.864 6.980 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.371 1.412 6.761 1.00 0.00 H new ATOM 0 HB3 PRO A 78 21.686 -0.028 6.033 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.356 2.610 4.743 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.641 0.989 4.143 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.541 2.485 3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.438 0.739 3.377 1.00 0.00 H new ATOM 1237 N SER A 79 19.779 3.928 6.627 1.00 0.00 N ATOM 1238 CA SER A 79 19.787 5.219 7.305 1.00 0.00 C ATOM 1239 C SER A 79 18.401 5.556 7.847 1.00 0.00 C ATOM 1240 O SER A 79 18.258 6.392 8.740 1.00 0.00 O ATOM 1241 CB SER A 79 20.254 6.318 6.349 1.00 0.00 C ATOM 1242 OG SER A 79 21.642 6.206 6.083 1.00 0.00 O ATOM 0 H SER A 79 19.342 3.938 5.705 1.00 0.00 H new ATOM 0 HA SER A 79 20.481 5.157 8.143 1.00 0.00 H new ATOM 0 HB2 SER A 79 19.695 6.254 5.415 1.00 0.00 H new ATOM 0 HB3 SER A 79 20.041 7.296 6.782 1.00 0.00 H new ATOM 0 HG SER A 79 21.916 6.918 5.468 1.00 0.00 H new ATOM 1248 N ASP A 80 17.383 4.901 7.300 1.00 0.00 N ATOM 1249 CA ASP A 80 16.008 5.129 7.727 1.00 0.00 C ATOM 1250 C ASP A 80 15.751 4.494 9.091 1.00 0.00 C ATOM 1251 O ASP A 80 16.516 3.646 9.546 1.00 0.00 O ATOM 1252 CB ASP A 80 15.030 4.565 6.696 1.00 0.00 C ATOM 1253 CG ASP A 80 14.670 5.577 5.626 1.00 0.00 C ATOM 1254 OD1 ASP A 80 14.646 6.786 5.937 1.00 0.00 O ATOM 1255 OD2 ASP A 80 14.411 5.160 4.477 1.00 0.00 O ATOM 0 H ASP A 80 17.485 4.207 6.559 1.00 0.00 H new ATOM 0 HA ASP A 80 15.853 6.205 7.811 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.469 3.685 6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.122 4.237 7.202 1.00 0.00 H new ATOM 1260 N ASN A 81 14.668 4.913 9.737 1.00 0.00 N ATOM 1261 CA ASN A 81 14.310 4.387 11.050 1.00 0.00 C ATOM 1262 C ASN A 81 13.534 3.079 10.919 1.00 0.00 C ATOM 1263 O ASN A 81 12.592 2.827 11.670 1.00 0.00 O ATOM 1264 CB ASN A 81 13.478 5.411 11.823 1.00 0.00 C ATOM 1265 CG ASN A 81 12.057 5.513 11.303 1.00 0.00 C ATOM 1266 OD1 ASN A 81 11.815 6.075 10.235 1.00 0.00 O ATOM 1267 ND2 ASN A 81 11.110 4.969 12.058 1.00 0.00 N ATOM 0 H ASN A 81 14.023 5.615 9.373 1.00 0.00 H new ATOM 0 HA ASN A 81 15.231 4.189 11.598 1.00 0.00 H new ATOM 0 HB2 ASN A 81 13.457 5.136 12.878 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.957 6.388 11.757 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.135 5.007 11.760 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.357 4.513 12.936 1.00 0.00 H new ATOM 1274 N ILE A 82 13.938 2.252 9.961 1.00 0.00 N ATOM 1275 CA ILE A 82 13.283 0.970 9.733 1.00 0.00 C ATOM 1276 C ILE A 82 14.064 -0.170 10.377 1.00 0.00 C ATOM 1277 O ILE A 82 15.142 -0.539 9.910 1.00 0.00 O ATOM 1278 CB ILE A 82 13.121 0.680 8.229 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.379 1.829 7.543 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.384 -0.634 8.019 1.00 0.00 C ATOM 1281 CD1 ILE A 82 10.966 2.024 8.049 1.00 0.00 C ATOM 0 H ILE A 82 14.716 2.447 9.330 1.00 0.00 H new ATOM 0 HA ILE A 82 12.296 1.035 10.191 1.00 0.00 H new ATOM 0 HB ILE A 82 14.111 0.594 7.782 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.940 2.752 7.690 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.349 1.642 6.470 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.277 -0.825 6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.949 -1.445 8.478 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.397 -0.575 8.477 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.501 2.855 7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.389 1.115 7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.989 2.243 9.117 1.00 0.00 H new ATOM 1293 N SER A 83 13.513 -0.725 11.452 1.00 0.00 N ATOM 1294 CA SER A 83 14.159 -1.822 12.162 1.00 0.00 C ATOM 1295 C SER A 83 13.883 -3.154 11.472 1.00 0.00 C ATOM 1296 O SER A 83 13.639 -4.167 12.128 1.00 0.00 O ATOM 1297 CB SER A 83 13.673 -1.875 13.612 1.00 0.00 C ATOM 1298 OG SER A 83 14.096 -0.732 14.334 1.00 0.00 O ATOM 0 H SER A 83 12.621 -0.433 11.850 1.00 0.00 H new ATOM 0 HA SER A 83 15.234 -1.645 12.153 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.585 -1.939 13.632 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.055 -2.775 14.094 1.00 0.00 H new ATOM 0 HG SER A 83 13.771 -0.789 15.257 1.00 0.00 H new ATOM 1304 N ARG A 84 13.924 -3.144 10.143 1.00 0.00 N ATOM 1305 CA ARG A 84 13.676 -4.350 9.363 1.00 0.00 C ATOM 1306 C ARG A 84 14.741 -4.527 8.284 1.00 0.00 C ATOM 1307 O ARG A 84 15.603 -3.668 8.100 1.00 0.00 O ATOM 1308 CB ARG A 84 12.289 -4.293 8.721 1.00 0.00 C ATOM 1309 CG ARG A 84 11.170 -4.023 9.713 1.00 0.00 C ATOM 1310 CD ARG A 84 9.865 -4.667 9.271 1.00 0.00 C ATOM 1311 NE ARG A 84 9.986 -6.117 9.144 1.00 0.00 N ATOM 1312 CZ ARG A 84 8.953 -6.949 9.211 1.00 0.00 C ATOM 1313 NH1 ARG A 84 7.729 -6.477 9.402 1.00 0.00 N ATOM 1314 NH2 ARG A 84 9.143 -8.256 9.087 1.00 0.00 N ATOM 0 H ARG A 84 14.126 -2.315 9.585 1.00 0.00 H new ATOM 0 HA ARG A 84 13.720 -5.205 10.038 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.283 -3.514 7.958 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.093 -5.238 8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.452 -4.406 10.694 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.028 -2.947 9.819 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.082 -4.430 9.991 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.557 -4.244 8.315 1.00 0.00 H new ATOM 0 HE ARG A 84 10.915 -6.512 8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.579 -5.473 9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.937 -7.118 9.453 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.083 -8.623 8.940 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.349 -8.894 9.139 1.00 0.00 H new ATOM 1328 N LYS A 85 14.674 -5.647 7.572 1.00 0.00 N ATOM 1329 CA LYS A 85 15.630 -5.938 6.510 1.00 0.00 C ATOM 1330 C LYS A 85 14.984 -5.779 5.138 1.00 0.00 C ATOM 1331 O LYS A 85 15.346 -4.887 4.369 1.00 0.00 O ATOM 1332 CB LYS A 85 16.180 -7.357 6.666 1.00 0.00 C ATOM 1333 CG LYS A 85 17.402 -7.441 7.564 1.00 0.00 C ATOM 1334 CD LYS A 85 18.688 -7.271 6.772 1.00 0.00 C ATOM 1335 CE LYS A 85 19.900 -7.721 7.574 1.00 0.00 C ATOM 1336 NZ LYS A 85 20.251 -6.746 8.644 1.00 0.00 N ATOM 0 H LYS A 85 13.967 -6.369 7.711 1.00 0.00 H new ATOM 0 HA LYS A 85 16.452 -5.226 6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.397 -7.998 7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.436 -7.749 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.343 -6.671 8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.413 -8.403 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.627 -7.847 5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.806 -6.225 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.698 -8.694 8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.751 -7.848 6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.082 -7.089 9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.468 -5.824 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.448 -6.644 9.297 1.00 0.00 H new ATOM 1350 N HIS A 86 14.025 -6.648 4.836 1.00 0.00 N ATOM 1351 CA HIS A 86 13.326 -6.602 3.556 1.00 0.00 C ATOM 1352 C HIS A 86 12.094 -5.707 3.641 1.00 0.00 C ATOM 1353 O HIS A 86 10.979 -6.185 3.856 1.00 0.00 O ATOM 1354 CB HIS A 86 12.919 -8.011 3.123 1.00 0.00 C ATOM 1355 CG HIS A 86 13.834 -9.082 3.631 1.00 0.00 C ATOM 1356 ND1 HIS A 86 15.169 -9.154 3.294 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.600 -10.128 4.459 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.716 -10.198 3.891 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.785 -10.806 4.604 1.00 0.00 N ATOM 0 H HIS A 86 13.714 -7.393 5.460 1.00 0.00 H new ATOM 0 HA HIS A 86 14.006 -6.184 2.814 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.907 -8.212 3.475 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.892 -8.054 2.034 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.657 -10.382 4.920 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.749 -10.503 3.810 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.924 -11.643 5.170 1.00 0.00 H new ATOM 1368 N THR A 87 12.301 -4.405 3.472 1.00 0.00 N ATOM 1369 CA THR A 87 11.208 -3.443 3.532 1.00 0.00 C ATOM 1370 C THR A 87 11.273 -2.465 2.364 1.00 0.00 C ATOM 1371 O THR A 87 12.335 -2.246 1.782 1.00 0.00 O ATOM 1372 CB THR A 87 11.229 -2.650 4.853 1.00 0.00 C ATOM 1373 OG1 THR A 87 11.031 -3.537 5.959 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.151 -1.577 4.856 1.00 0.00 C ATOM 0 H THR A 87 13.216 -3.992 3.292 1.00 0.00 H new ATOM 0 HA THR A 87 10.281 -4.013 3.474 1.00 0.00 H new ATOM 0 HB THR A 87 12.201 -2.166 4.946 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.583 -3.058 6.687 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.185 -1.030 5.798 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.322 -0.887 4.030 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.173 -2.044 4.742 1.00 0.00 H new ATOM 1382 N PHE A 88 10.129 -1.877 2.027 1.00 0.00 N ATOM 1383 CA PHE A 88 10.056 -0.922 0.928 1.00 0.00 C ATOM 1384 C PHE A 88 8.947 0.098 1.167 1.00 0.00 C ATOM 1385 O PHE A 88 7.815 -0.262 1.493 1.00 0.00 O ATOM 1386 CB PHE A 88 9.816 -1.652 -0.395 1.00 0.00 C ATOM 1387 CG PHE A 88 8.493 -2.360 -0.458 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.262 -3.495 0.303 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.479 -1.890 -1.277 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.046 -4.148 0.246 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.260 -2.539 -1.337 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.043 -3.669 -0.574 1.00 0.00 C ATOM 0 H PHE A 88 9.241 -2.045 2.499 1.00 0.00 H new ATOM 0 HA PHE A 88 11.008 -0.393 0.876 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.874 -0.934 -1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.615 -2.377 -0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.041 -3.873 0.948 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.643 -1.006 -1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.880 -5.033 0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.478 -2.163 -1.980 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.091 -4.177 -0.618 1.00 0.00 H new ATOM 1402 N LYS A 89 9.279 1.374 1.004 1.00 0.00 N ATOM 1403 CA LYS A 89 8.314 2.449 1.202 1.00 0.00 C ATOM 1404 C LYS A 89 8.141 3.266 -0.075 1.00 0.00 C ATOM 1405 O LYS A 89 9.091 3.458 -0.833 1.00 0.00 O ATOM 1406 CB LYS A 89 8.760 3.360 2.347 1.00 0.00 C ATOM 1407 CG LYS A 89 9.880 4.312 1.965 1.00 0.00 C ATOM 1408 CD LYS A 89 11.246 3.691 2.203 1.00 0.00 C ATOM 1409 CE LYS A 89 12.292 4.263 1.258 1.00 0.00 C ATOM 1410 NZ LYS A 89 12.288 3.567 -0.059 1.00 0.00 N ATOM 0 H LYS A 89 10.211 1.689 0.735 1.00 0.00 H new ATOM 0 HA LYS A 89 7.355 1.999 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.904 3.939 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.088 2.744 3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.782 4.587 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.791 5.231 2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.552 3.866 3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.184 2.611 2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.103 5.326 1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.279 4.175 1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.262 3.315 -0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.712 2.703 0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.887 4.196 -0.783 1.00 0.00 H new ATOM 1424 N ALA A 90 6.923 3.746 -0.304 1.00 0.00 N ATOM 1425 CA ALA A 90 6.627 4.545 -1.487 1.00 0.00 C ATOM 1426 C ALA A 90 6.532 6.027 -1.138 1.00 0.00 C ATOM 1427 O ALA A 90 6.156 6.388 -0.024 1.00 0.00 O ATOM 1428 CB ALA A 90 5.336 4.070 -2.136 1.00 0.00 C ATOM 0 H ALA A 90 6.126 3.596 0.314 1.00 0.00 H new ATOM 0 HA ALA A 90 7.445 4.417 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.128 4.676 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.439 3.025 -2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.515 4.168 -1.426 1.00 0.00 H new ATOM 1434 N GLU A 91 6.876 6.879 -2.099 1.00 0.00 N ATOM 1435 CA GLU A 91 6.830 8.322 -1.891 1.00 0.00 C ATOM 1436 C GLU A 91 6.310 9.035 -3.136 1.00 0.00 C ATOM 1437 O GLU A 91 6.725 8.735 -4.256 1.00 0.00 O ATOM 1438 CB GLU A 91 8.219 8.852 -1.529 1.00 0.00 C ATOM 1439 CG GLU A 91 9.109 9.098 -2.735 1.00 0.00 C ATOM 1440 CD GLU A 91 10.582 9.124 -2.378 1.00 0.00 C ATOM 1441 OE1 GLU A 91 11.110 8.074 -1.957 1.00 0.00 O ATOM 1442 OE2 GLU A 91 11.208 10.196 -2.519 1.00 0.00 O ATOM 0 H GLU A 91 7.189 6.596 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 91 6.146 8.523 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.110 9.783 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.709 8.139 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.933 8.319 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.834 10.046 -3.197 1.00 0.00 H new ATOM 1449 N HIS A 92 5.398 9.980 -2.932 1.00 0.00 N ATOM 1450 CA HIS A 92 4.820 10.736 -4.037 1.00 0.00 C ATOM 1451 C HIS A 92 5.362 12.163 -4.061 1.00 0.00 C ATOM 1452 O HIS A 92 5.024 12.950 -4.945 1.00 0.00 O ATOM 1453 CB HIS A 92 3.295 10.759 -3.925 1.00 0.00 C ATOM 1454 CG HIS A 92 2.649 11.820 -4.762 1.00 0.00 C ATOM 1455 ND1 HIS A 92 1.764 12.746 -4.252 1.00 0.00 N ATOM 1456 CD2 HIS A 92 2.765 12.100 -6.081 1.00 0.00 C ATOM 1457 CE1 HIS A 92 1.363 13.549 -5.221 1.00 0.00 C ATOM 1458 NE2 HIS A 92 1.956 13.179 -6.341 1.00 0.00 N ATOM 0 H HIS A 92 5.043 10.240 -2.012 1.00 0.00 H new ATOM 0 HA HIS A 92 5.101 10.243 -4.968 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.903 9.786 -4.220 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.018 10.912 -2.882 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.379 11.573 -6.796 1.00 0.00 H new ATOM 0 HE1 HIS A 92 0.668 14.369 -5.115 1.00 0.00 H new ATOM 0 HE2 HIS A 92 1.833 13.622 -7.251 1.00 0.00 H new ATOM 1467 N ALA A 93 6.202 12.488 -3.085 1.00 0.00 N ATOM 1468 CA ALA A 93 6.791 13.818 -2.995 1.00 0.00 C ATOM 1469 C ALA A 93 5.723 14.900 -3.108 1.00 0.00 C ATOM 1470 O ALA A 93 5.929 15.925 -3.756 1.00 0.00 O ATOM 1471 CB ALA A 93 7.847 14.002 -4.075 1.00 0.00 C ATOM 0 H ALA A 93 6.490 11.848 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 93 7.265 13.913 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.278 15.000 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.632 13.256 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.388 13.882 -5.057 1.00 0.00 H new ATOM 1477 N GLY A 94 4.578 14.665 -2.473 1.00 0.00 N ATOM 1478 CA GLY A 94 3.494 15.628 -2.516 1.00 0.00 C ATOM 1479 C GLY A 94 2.439 15.360 -1.461 1.00 0.00 C ATOM 1480 O GLY A 94 1.928 16.288 -0.834 1.00 0.00 O ATOM 0 H GLY A 94 4.383 13.824 -1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 94 3.897 16.631 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.031 15.606 -3.503 1.00 0.00 H new ATOM 1484 N VAL A 95 2.109 14.087 -1.265 1.00 0.00 N ATOM 1485 CA VAL A 95 1.107 13.700 -0.280 1.00 0.00 C ATOM 1486 C VAL A 95 1.760 13.123 0.971 1.00 0.00 C ATOM 1487 O VAL A 95 1.705 13.722 2.045 1.00 0.00 O ATOM 1488 CB VAL A 95 0.124 12.664 -0.857 1.00 0.00 C ATOM 1489 CG1 VAL A 95 -0.864 12.214 0.208 1.00 0.00 C ATOM 1490 CG2 VAL A 95 -0.604 13.235 -2.064 1.00 0.00 C ATOM 0 H VAL A 95 2.521 13.306 -1.776 1.00 0.00 H new ATOM 0 HA VAL A 95 0.558 14.604 -0.016 1.00 0.00 H new ATOM 0 HB VAL A 95 0.692 11.793 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.550 11.482 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.322 11.762 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.428 13.074 0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.294 12.490 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.161 14.124 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.121 13.502 -2.833 1.00 0.00 H new ATOM 1500 N ARG A 96 2.380 11.956 0.824 1.00 0.00 N ATOM 1501 CA ARG A 96 3.044 11.298 1.942 1.00 0.00 C ATOM 1502 C ARG A 96 3.869 10.108 1.460 1.00 0.00 C ATOM 1503 O ARG A 96 3.955 9.843 0.260 1.00 0.00 O ATOM 1504 CB ARG A 96 2.013 10.833 2.973 1.00 0.00 C ATOM 1505 CG ARG A 96 1.323 9.531 2.599 1.00 0.00 C ATOM 1506 CD ARG A 96 0.031 9.342 3.379 1.00 0.00 C ATOM 1507 NE ARG A 96 0.270 8.767 4.701 1.00 0.00 N ATOM 1508 CZ ARG A 96 -0.573 8.893 5.720 1.00 0.00 C ATOM 1509 NH1 ARG A 96 -1.703 9.570 5.570 1.00 0.00 N ATOM 1510 NH2 ARG A 96 -0.286 8.341 6.892 1.00 0.00 N ATOM 0 H ARG A 96 2.436 11.447 -0.058 1.00 0.00 H new ATOM 0 HA ARG A 96 3.715 12.019 2.409 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.506 10.709 3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.260 11.611 3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.108 9.525 1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.993 8.694 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.471 10.303 3.487 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.640 8.693 2.817 1.00 0.00 H new ATOM 0 HE ARG A 96 1.131 8.240 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.927 9.996 4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.348 9.665 6.354 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.582 7.819 7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.934 8.438 7.674 1.00 0.00 H new ATOM 1524 N THR A 97 4.476 9.394 2.403 1.00 0.00 N ATOM 1525 CA THR A 97 5.296 8.235 2.075 1.00 0.00 C ATOM 1526 C THR A 97 4.822 6.996 2.828 1.00 0.00 C ATOM 1527 O THR A 97 4.975 6.902 4.046 1.00 0.00 O ATOM 1528 CB THR A 97 6.780 8.485 2.404 1.00 0.00 C ATOM 1529 OG1 THR A 97 7.202 9.733 1.843 1.00 0.00 O ATOM 1530 CG2 THR A 97 7.650 7.360 1.864 1.00 0.00 C ATOM 0 H THR A 97 4.415 9.599 3.400 1.00 0.00 H new ATOM 0 HA THR A 97 5.193 8.068 1.003 1.00 0.00 H new ATOM 0 HB THR A 97 6.889 8.519 3.488 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.146 9.886 2.058 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.694 7.558 2.108 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.345 6.416 2.315 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.536 7.299 0.782 1.00 0.00 H new ATOM 1538 N TYR A 98 4.248 6.049 2.095 1.00 0.00 N ATOM 1539 CA TYR A 98 3.750 4.816 2.694 1.00 0.00 C ATOM 1540 C TYR A 98 4.872 3.793 2.848 1.00 0.00 C ATOM 1541 O TYR A 98 5.823 3.775 2.066 1.00 0.00 O ATOM 1542 CB TYR A 98 2.623 4.229 1.843 1.00 0.00 C ATOM 1543 CG TYR A 98 1.286 4.901 2.062 1.00 0.00 C ATOM 1544 CD1 TYR A 98 0.965 6.082 1.404 1.00 0.00 C ATOM 1545 CD2 TYR A 98 0.346 4.356 2.926 1.00 0.00 C ATOM 1546 CE1 TYR A 98 -0.255 6.700 1.601 1.00 0.00 C ATOM 1547 CE2 TYR A 98 -0.877 4.966 3.128 1.00 0.00 C ATOM 1548 CZ TYR A 98 -1.173 6.138 2.463 1.00 0.00 C ATOM 1549 OH TYR A 98 -2.389 6.750 2.663 1.00 0.00 O ATOM 0 H TYR A 98 4.116 6.111 1.086 1.00 0.00 H new ATOM 0 HA TYR A 98 3.362 5.055 3.684 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.893 4.311 0.790 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.527 3.166 2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.681 6.524 0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.575 3.439 3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.488 7.618 1.083 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.597 4.528 3.803 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.919 6.225 3.298 1.00 0.00 H new ATOM 1559 N PHE A 99 4.754 2.943 3.862 1.00 0.00 N ATOM 1560 CA PHE A 99 5.757 1.916 4.120 1.00 0.00 C ATOM 1561 C PHE A 99 5.137 0.523 4.064 1.00 0.00 C ATOM 1562 O PHE A 99 3.994 0.323 4.476 1.00 0.00 O ATOM 1563 CB PHE A 99 6.408 2.142 5.486 1.00 0.00 C ATOM 1564 CG PHE A 99 7.516 3.156 5.462 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.233 4.510 5.378 1.00 0.00 C ATOM 1566 CD2 PHE A 99 8.841 2.755 5.523 1.00 0.00 C ATOM 1567 CE1 PHE A 99 8.250 5.445 5.355 1.00 0.00 C ATOM 1568 CE2 PHE A 99 9.862 3.686 5.502 1.00 0.00 C ATOM 1569 CZ PHE A 99 9.566 5.033 5.417 1.00 0.00 C ATOM 0 H PHE A 99 3.974 2.945 4.519 1.00 0.00 H new ATOM 0 HA PHE A 99 6.520 1.986 3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.645 2.466 6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.802 1.194 5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.205 4.838 5.330 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.078 1.703 5.588 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.016 6.497 5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.891 3.361 5.552 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.363 5.762 5.399 1.00 0.00 H new ATOM 1579 N PHE A 100 5.899 -0.437 3.550 1.00 0.00 N ATOM 1580 CA PHE A 100 5.425 -1.811 3.438 1.00 0.00 C ATOM 1581 C PHE A 100 6.567 -2.800 3.656 1.00 0.00 C ATOM 1582 O PHE A 100 7.543 -2.813 2.907 1.00 0.00 O ATOM 1583 CB PHE A 100 4.790 -2.043 2.065 1.00 0.00 C ATOM 1584 CG PHE A 100 3.938 -0.898 1.597 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.814 -0.516 2.311 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.262 -0.203 0.443 1.00 0.00 C ATOM 1587 CE1 PHE A 100 2.028 0.537 1.883 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.480 0.851 0.010 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.361 1.221 0.731 1.00 0.00 C ATOM 0 H PHE A 100 6.847 -0.288 3.205 1.00 0.00 H new ATOM 0 HA PHE A 100 4.674 -1.974 4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.579 -2.221 1.334 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.181 -2.946 2.103 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.549 -1.048 3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.135 -0.488 -0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.154 0.824 2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.743 1.385 -0.891 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.748 2.044 0.394 1.00 0.00 H new ATOM 1599 N SER A 101 6.436 -3.626 4.689 1.00 0.00 N ATOM 1600 CA SER A 101 7.458 -4.615 5.010 1.00 0.00 C ATOM 1601 C SER A 101 7.011 -6.013 4.593 1.00 0.00 C ATOM 1602 O SER A 101 5.845 -6.376 4.747 1.00 0.00 O ATOM 1603 CB SER A 101 7.767 -4.593 6.508 1.00 0.00 C ATOM 1604 OG SER A 101 8.507 -5.738 6.894 1.00 0.00 O ATOM 0 H SER A 101 5.633 -3.630 5.318 1.00 0.00 H new ATOM 0 HA SER A 101 8.361 -4.360 4.456 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.331 -3.693 6.753 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.836 -4.550 7.074 1.00 0.00 H new ATOM 0 HG SER A 101 9.451 -5.610 6.663 1.00 0.00 H new ATOM 1610 N ALA A 102 7.947 -6.793 4.063 1.00 0.00 N ATOM 1611 CA ALA A 102 7.652 -8.152 3.624 1.00 0.00 C ATOM 1612 C ALA A 102 8.371 -9.178 4.493 1.00 0.00 C ATOM 1613 O ALA A 102 9.565 -9.048 4.762 1.00 0.00 O ATOM 1614 CB ALA A 102 8.038 -8.331 2.164 1.00 0.00 C ATOM 0 H ALA A 102 8.917 -6.507 3.927 1.00 0.00 H new ATOM 0 HA ALA A 102 6.579 -8.315 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.812 -9.350 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.474 -7.629 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.105 -8.142 2.044 1.00 0.00 H new ATOM 1620 N GLU A 103 7.637 -10.196 4.930 1.00 0.00 N ATOM 1621 CA GLU A 103 8.207 -11.243 5.770 1.00 0.00 C ATOM 1622 C GLU A 103 9.544 -11.721 5.212 1.00 0.00 C ATOM 1623 O GLU A 103 10.555 -11.726 5.914 1.00 0.00 O ATOM 1624 CB GLU A 103 7.238 -12.422 5.881 1.00 0.00 C ATOM 1625 CG GLU A 103 5.923 -12.069 6.556 1.00 0.00 C ATOM 1626 CD GLU A 103 4.888 -11.547 5.579 1.00 0.00 C ATOM 1627 OE1 GLU A 103 4.328 -12.361 4.815 1.00 0.00 O ATOM 1628 OE2 GLU A 103 4.637 -10.323 5.580 1.00 0.00 O ATOM 0 H GLU A 103 6.647 -10.318 4.717 1.00 0.00 H new ATOM 0 HA GLU A 103 8.376 -10.825 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.032 -12.807 4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.719 -13.225 6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.529 -12.952 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.104 -11.317 7.324 1.00 0.00 H new ATOM 1635 N SER A 104 9.541 -12.121 3.945 1.00 0.00 N ATOM 1636 CA SER A 104 10.753 -12.605 3.293 1.00 0.00 C ATOM 1637 C SER A 104 11.199 -11.645 2.195 1.00 0.00 C ATOM 1638 O SER A 104 10.427 -10.821 1.703 1.00 0.00 O ATOM 1639 CB SER A 104 10.520 -13.998 2.704 1.00 0.00 C ATOM 1640 OG SER A 104 10.836 -15.009 3.646 1.00 0.00 O ATOM 0 H SER A 104 8.713 -12.120 3.349 1.00 0.00 H new ATOM 0 HA SER A 104 11.541 -12.663 4.044 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.479 -14.096 2.395 1.00 0.00 H new ATOM 0 HB3 SER A 104 11.131 -14.125 1.810 1.00 0.00 H new ATOM 0 HG SER A 104 10.677 -15.890 3.246 1.00 0.00 H new ATOM 1646 N PRO A 105 12.477 -11.751 1.800 1.00 0.00 N ATOM 1647 CA PRO A 105 13.056 -10.901 0.755 1.00 0.00 C ATOM 1648 C PRO A 105 12.499 -11.222 -0.628 1.00 0.00 C ATOM 1649 O PRO A 105 12.593 -10.409 -1.547 1.00 0.00 O ATOM 1650 CB PRO A 105 14.550 -11.229 0.819 1.00 0.00 C ATOM 1651 CG PRO A 105 14.612 -12.605 1.389 1.00 0.00 C ATOM 1652 CD PRO A 105 13.454 -12.711 2.342 1.00 0.00 C ATOM 0 HA PRO A 105 12.830 -9.847 0.915 1.00 0.00 H new ATOM 0 HB2 PRO A 105 15.007 -11.189 -0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 105 15.085 -10.516 1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.540 -13.357 0.603 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.558 -12.772 1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 105 13.049 -13.723 2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.747 -12.455 3.360 1.00 0.00 H new ATOM 1660 N GLU A 106 11.920 -12.410 -0.767 1.00 0.00 N ATOM 1661 CA GLU A 106 11.348 -12.836 -2.039 1.00 0.00 C ATOM 1662 C GLU A 106 10.076 -12.054 -2.353 1.00 0.00 C ATOM 1663 O GLU A 106 9.810 -11.720 -3.507 1.00 0.00 O ATOM 1664 CB GLU A 106 11.044 -14.335 -2.010 1.00 0.00 C ATOM 1665 CG GLU A 106 12.274 -15.202 -1.796 1.00 0.00 C ATOM 1666 CD GLU A 106 12.063 -16.634 -2.246 1.00 0.00 C ATOM 1667 OE1 GLU A 106 11.311 -16.847 -3.220 1.00 0.00 O ATOM 1668 OE2 GLU A 106 12.651 -17.544 -1.624 1.00 0.00 O ATOM 0 H GLU A 106 11.835 -13.094 -0.015 1.00 0.00 H new ATOM 0 HA GLU A 106 12.079 -12.636 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.326 -14.536 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.569 -14.619 -2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.115 -14.774 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.541 -15.193 -0.739 1.00 0.00 H new ATOM 1675 N GLU A 107 9.294 -11.766 -1.317 1.00 0.00 N ATOM 1676 CA GLU A 107 8.050 -11.024 -1.483 1.00 0.00 C ATOM 1677 C GLU A 107 8.328 -9.561 -1.816 1.00 0.00 C ATOM 1678 O GLU A 107 7.801 -9.025 -2.790 1.00 0.00 O ATOM 1679 CB GLU A 107 7.201 -11.117 -0.213 1.00 0.00 C ATOM 1680 CG GLU A 107 6.357 -12.378 -0.137 1.00 0.00 C ATOM 1681 CD GLU A 107 7.189 -13.643 -0.209 1.00 0.00 C ATOM 1682 OE1 GLU A 107 7.971 -13.895 0.731 1.00 0.00 O ATOM 1683 OE2 GLU A 107 7.058 -14.383 -1.208 1.00 0.00 O ATOM 0 H GLU A 107 9.500 -12.035 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 107 7.500 -11.469 -2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.857 -11.076 0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.546 -10.247 -0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.788 -12.374 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.634 -12.376 -0.953 1.00 0.00 H new ATOM 1690 N GLN A 108 9.159 -8.922 -0.998 1.00 0.00 N ATOM 1691 CA GLN A 108 9.506 -7.521 -1.205 1.00 0.00 C ATOM 1692 C GLN A 108 9.848 -7.255 -2.667 1.00 0.00 C ATOM 1693 O GLN A 108 9.196 -6.448 -3.329 1.00 0.00 O ATOM 1694 CB GLN A 108 10.687 -7.130 -0.314 1.00 0.00 C ATOM 1695 CG GLN A 108 11.249 -5.751 -0.620 1.00 0.00 C ATOM 1696 CD GLN A 108 12.705 -5.613 -0.221 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.527 -6.479 -0.520 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.032 -4.520 0.458 1.00 0.00 N ATOM 0 H GLN A 108 9.604 -9.352 -0.187 1.00 0.00 H new ATOM 0 HA GLN A 108 8.641 -6.915 -0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.371 -7.161 0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.479 -7.870 -0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.148 -5.550 -1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.660 -4.998 -0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.318 -3.828 0.684 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.997 -4.373 0.753 1.00 0.00 H new ATOM 1707 N GLU A 109 10.874 -7.939 -3.164 1.00 0.00 N ATOM 1708 CA GLU A 109 11.302 -7.774 -4.548 1.00 0.00 C ATOM 1709 C GLU A 109 10.144 -8.025 -5.510 1.00 0.00 C ATOM 1710 O GLU A 109 9.870 -7.214 -6.394 1.00 0.00 O ATOM 1711 CB GLU A 109 12.457 -8.726 -4.865 1.00 0.00 C ATOM 1712 CG GLU A 109 12.004 -10.091 -5.355 1.00 0.00 C ATOM 1713 CD GLU A 109 13.165 -10.986 -5.744 1.00 0.00 C ATOM 1714 OE1 GLU A 109 14.253 -10.840 -5.148 1.00 0.00 O ATOM 1715 OE2 GLU A 109 12.985 -11.833 -6.644 1.00 0.00 O ATOM 0 H GLU A 109 11.423 -8.612 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 109 11.642 -6.746 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.095 -8.271 -5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.067 -8.854 -3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.421 -10.578 -4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.344 -9.964 -6.213 1.00 0.00 H new ATOM 1722 N ALA A 110 9.467 -9.155 -5.329 1.00 0.00 N ATOM 1723 CA ALA A 110 8.338 -9.513 -6.179 1.00 0.00 C ATOM 1724 C ALA A 110 7.332 -8.370 -6.265 1.00 0.00 C ATOM 1725 O ALA A 110 6.811 -8.070 -7.339 1.00 0.00 O ATOM 1726 CB ALA A 110 7.664 -10.774 -5.657 1.00 0.00 C ATOM 0 H ALA A 110 9.681 -9.838 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 110 8.717 -9.705 -7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.823 -11.030 -6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.381 -11.595 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.305 -10.601 -4.642 1.00 0.00 H new ATOM 1732 N TRP A 111 7.063 -7.738 -5.129 1.00 0.00 N ATOM 1733 CA TRP A 111 6.118 -6.628 -5.076 1.00 0.00 C ATOM 1734 C TRP A 111 6.629 -5.440 -5.884 1.00 0.00 C ATOM 1735 O TRP A 111 6.001 -5.025 -6.859 1.00 0.00 O ATOM 1736 CB TRP A 111 5.873 -6.208 -3.626 1.00 0.00 C ATOM 1737 CG TRP A 111 4.768 -6.975 -2.964 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.902 -7.974 -2.043 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.362 -6.805 -3.175 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.663 -8.436 -1.668 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.702 -7.735 -2.347 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.596 -5.958 -3.980 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.315 -7.839 -2.304 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.219 -6.063 -3.936 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.590 -6.997 -3.103 1.00 0.00 C ATOM 0 H TRP A 111 7.486 -7.975 -4.231 1.00 0.00 H new ATOM 0 HA TRP A 111 5.177 -6.963 -5.513 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.792 -6.344 -3.056 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.635 -5.145 -3.599 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.843 -8.346 -1.665 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.488 -9.180 -0.993 1.00 0.00 H new ATOM 0 HE3 TRP A 111 3.072 -5.234 -4.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.828 -8.559 -1.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.617 -5.414 -4.555 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.488 -7.054 -3.091 1.00 0.00 H new ATOM 1756 N ILE A 112 7.770 -4.898 -5.473 1.00 0.00 N ATOM 1757 CA ILE A 112 8.364 -3.758 -6.160 1.00 0.00 C ATOM 1758 C ILE A 112 8.225 -3.894 -7.672 1.00 0.00 C ATOM 1759 O ILE A 112 8.059 -2.902 -8.381 1.00 0.00 O ATOM 1760 CB ILE A 112 9.855 -3.601 -5.805 1.00 0.00 C ATOM 1761 CG1 ILE A 112 10.013 -3.225 -4.330 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.505 -2.554 -6.697 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.453 -3.192 -3.867 1.00 0.00 C ATOM 0 H ILE A 112 8.301 -5.230 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 112 7.824 -2.872 -5.826 1.00 0.00 H new ATOM 0 HB ILE A 112 10.356 -4.554 -5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.563 -2.246 -4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.460 -3.939 -3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.558 -2.455 -6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.419 -2.860 -7.740 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.004 -1.596 -6.558 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.490 -2.919 -2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.901 -4.176 -4.003 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.007 -2.457 -4.452 1.00 0.00 H new ATOM 1775 N GLN A 113 8.292 -5.129 -8.158 1.00 0.00 N ATOM 1776 CA GLN A 113 8.172 -5.394 -9.587 1.00 0.00 C ATOM 1777 C GLN A 113 6.821 -4.926 -10.116 1.00 0.00 C ATOM 1778 O GLN A 113 6.743 -4.267 -11.153 1.00 0.00 O ATOM 1779 CB GLN A 113 8.353 -6.887 -9.867 1.00 0.00 C ATOM 1780 CG GLN A 113 9.747 -7.402 -9.545 1.00 0.00 C ATOM 1781 CD GLN A 113 10.167 -8.550 -10.441 1.00 0.00 C ATOM 1782 OE1 GLN A 113 10.348 -9.678 -9.981 1.00 0.00 O ATOM 1783 NE2 GLN A 113 10.324 -8.269 -11.729 1.00 0.00 N ATOM 0 H GLN A 113 8.429 -5.961 -7.584 1.00 0.00 H new ATOM 0 HA GLN A 113 8.955 -4.837 -10.101 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.623 -7.449 -9.284 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.137 -7.080 -10.918 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.463 -6.587 -9.646 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.779 -7.727 -8.505 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.163 -7.320 -12.067 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.605 -9.002 -12.380 1.00 0.00 H new ATOM 1792 N ALA A 114 5.757 -5.272 -9.398 1.00 0.00 N ATOM 1793 CA ALA A 114 4.409 -4.886 -9.794 1.00 0.00 C ATOM 1794 C ALA A 114 4.088 -3.467 -9.338 1.00 0.00 C ATOM 1795 O ALA A 114 3.573 -2.658 -10.110 1.00 0.00 O ATOM 1796 CB ALA A 114 3.392 -5.866 -9.229 1.00 0.00 C ATOM 0 H ALA A 114 5.803 -5.819 -8.539 1.00 0.00 H new ATOM 0 HA ALA A 114 4.356 -4.911 -10.882 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.389 -5.565 -9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.601 -6.866 -9.608 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.456 -5.870 -8.141 1.00 0.00 H new ATOM 1802 N MET A 115 4.395 -3.171 -8.079 1.00 0.00 N ATOM 1803 CA MET A 115 4.139 -1.848 -7.521 1.00 0.00 C ATOM 1804 C MET A 115 4.978 -0.788 -8.228 1.00 0.00 C ATOM 1805 O MET A 115 4.443 0.114 -8.871 1.00 0.00 O ATOM 1806 CB MET A 115 4.439 -1.837 -6.021 1.00 0.00 C ATOM 1807 CG MET A 115 3.248 -2.222 -5.160 1.00 0.00 C ATOM 1808 SD MET A 115 3.379 -1.598 -3.473 1.00 0.00 S ATOM 1809 CE MET A 115 3.142 -3.105 -2.535 1.00 0.00 C ATOM 0 H MET A 115 4.821 -3.829 -7.426 1.00 0.00 H new ATOM 0 HA MET A 115 3.086 -1.614 -7.675 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.261 -2.524 -5.818 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.778 -0.842 -5.734 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.336 -1.837 -5.616 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.158 -3.308 -5.136 1.00 0.00 H new ATOM 0 HE1 MET A 115 3.266 -2.896 -1.473 1.00 0.00 H new ATOM 0 HE2 MET A 115 2.138 -3.491 -2.714 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.877 -3.847 -2.847 1.00 0.00 H new ATOM 1819 N GLY A 116 6.297 -0.904 -8.104 1.00 0.00 N ATOM 1820 CA GLY A 116 7.188 0.051 -8.736 1.00 0.00 C ATOM 1821 C GLY A 116 6.735 0.432 -10.132 1.00 0.00 C ATOM 1822 O GLY A 116 6.582 1.613 -10.440 1.00 0.00 O ATOM 0 H GLY A 116 6.764 -1.642 -7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.250 0.948 -8.120 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.192 -0.371 -8.786 1.00 0.00 H new ATOM 1826 N GLU A 117 6.520 -0.571 -10.977 1.00 0.00 N ATOM 1827 CA GLU A 117 6.084 -0.334 -12.348 1.00 0.00 C ATOM 1828 C GLU A 117 4.746 0.400 -12.374 1.00 0.00 C ATOM 1829 O GLU A 117 4.643 1.505 -12.906 1.00 0.00 O ATOM 1830 CB GLU A 117 5.967 -1.658 -13.106 1.00 0.00 C ATOM 1831 CG GLU A 117 7.307 -2.255 -13.499 1.00 0.00 C ATOM 1832 CD GLU A 117 7.177 -3.341 -14.549 1.00 0.00 C ATOM 1833 OE1 GLU A 117 6.645 -3.051 -15.641 1.00 0.00 O ATOM 1834 OE2 GLU A 117 7.607 -4.482 -14.279 1.00 0.00 O ATOM 0 H GLU A 117 6.641 -1.555 -10.737 1.00 0.00 H new ATOM 0 HA GLU A 117 6.831 0.291 -12.837 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.427 -2.375 -12.487 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.371 -1.501 -14.005 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.955 -1.465 -13.877 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.790 -2.667 -12.613 1.00 0.00 H new ATOM 1841 N ALA A 118 3.725 -0.224 -11.796 1.00 0.00 N ATOM 1842 CA ALA A 118 2.394 0.370 -11.752 1.00 0.00 C ATOM 1843 C ALA A 118 2.446 1.792 -11.205 1.00 0.00 C ATOM 1844 O ALA A 118 1.505 2.567 -11.376 1.00 0.00 O ATOM 1845 CB ALA A 118 1.462 -0.488 -10.909 1.00 0.00 C ATOM 0 H ALA A 118 3.794 -1.140 -11.352 1.00 0.00 H new ATOM 0 HA ALA A 118 2.008 0.414 -12.770 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.472 -0.033 -10.884 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.393 -1.485 -11.344 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.853 -0.561 -9.894 1.00 0.00 H new ATOM 1851 N ALA A 119 3.550 2.129 -10.547 1.00 0.00 N ATOM 1852 CA ALA A 119 3.724 3.459 -9.977 1.00 0.00 C ATOM 1853 C ALA A 119 4.414 4.394 -10.965 1.00 0.00 C ATOM 1854 O ALA A 119 4.061 5.569 -11.072 1.00 0.00 O ATOM 1855 CB ALA A 119 4.518 3.378 -8.682 1.00 0.00 C ATOM 0 H ALA A 119 4.338 1.499 -10.395 1.00 0.00 H new ATOM 0 HA ALA A 119 2.737 3.867 -9.760 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.641 4.378 -8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.985 2.751 -7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.498 2.946 -8.883 1.00 0.00 H new ATOM 1861 N ARG A 120 5.398 3.865 -11.684 1.00 0.00 N ATOM 1862 CA ARG A 120 6.138 4.654 -12.662 1.00 0.00 C ATOM 1863 C ARG A 120 5.261 4.992 -13.864 1.00 0.00 C ATOM 1864 O ARG A 120 4.519 4.145 -14.362 1.00 0.00 O ATOM 1865 CB ARG A 120 7.384 3.894 -13.124 1.00 0.00 C ATOM 1866 CG ARG A 120 7.132 2.974 -14.307 1.00 0.00 C ATOM 1867 CD ARG A 120 8.255 1.962 -14.474 1.00 0.00 C ATOM 1868 NE ARG A 120 9.316 2.460 -15.345 1.00 0.00 N ATOM 1869 CZ ARG A 120 9.285 2.364 -16.670 1.00 0.00 C ATOM 1870 NH1 ARG A 120 8.252 1.792 -17.272 1.00 0.00 N ATOM 1871 NH2 ARG A 120 10.289 2.841 -17.394 1.00 0.00 N ATOM 0 H ARG A 120 5.701 2.894 -11.608 1.00 0.00 H new ATOM 0 HA ARG A 120 6.444 5.585 -12.184 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.159 4.612 -13.392 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.769 3.305 -12.292 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.186 2.450 -14.167 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.037 3.567 -15.217 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.672 1.719 -13.497 1.00 0.00 H new ATOM 0 HD3 ARG A 120 7.851 1.037 -14.887 1.00 0.00 H new ATOM 0 HE ARG A 120 10.125 2.906 -14.913 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.478 1.424 -16.718 1.00 0.00 H new ATOM 0 HH12 ARG A 120 8.231 1.720 -18.289 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.085 3.282 -16.934 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.265 2.767 -18.411 1.00 0.00 H new