USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 804 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 54 THR OG1 : rot 14:sc= -0.409! USER MOD Set 1.2: A 57 SER OG : rot 24:sc= 0.755 USER MOD Single : A 17 THR OG1 : rot 48:sc= 0.81 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.6!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -4.86! C(o=-4.9!,f=-13!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -122:sc= -0.212 (180deg=-0.907) USER MOD Single : A 35 TYR OH : rot 165:sc= -0.284 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -2.46 USER MOD Single : A 42 HIS : no HD1:sc= -0.175 K(o=-0.18,f=-1.5) USER MOD Single : A 43 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.2!) USER MOD Single : A 46 THR OG1 : rot -34:sc= 0.636! USER MOD Single : A 48 ASN : amide:sc= -3.53! C(o=-3.5!,f=-2.9!) USER MOD Single : A 50 GLN : amide:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 52 HIS : no HD1:sc=-0.00541 X(o=-0.0054,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.3!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -148:sc= -2.4 (180deg=-5.67!) USER MOD Single : A 69 SER OG : rot 180:sc= -0.463 USER MOD Single : A 70 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 71 SER OG : rot -37:sc= 0.507 USER MOD Single : A 72 MET CE :methyl -141:sc= -8.51! (180deg=-12.9!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -3.04! C(o=-3!,f=-3.7!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 63:sc= 0.882 USER MOD Single : A 87 SER OG : rot -44:sc= -0.0808 USER MOD Single : A 88 LYS NZ :NH3+ 131:sc= -0.47 (180deg=-1.27) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0173) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -2:sc= 0.66 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -163:sc= 2.4 (180deg=1.14) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0226 X(o=-0.023,f=-0.0012) USER MOD Single : A 106 THR OG1 : rot -160:sc= -0.021 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N THR A 17 -8.352 -6.478 9.654 1.00 0.00 N ATOM 198 CA THR A 17 -8.051 -5.628 8.514 1.00 0.00 C ATOM 199 C THR A 17 -7.944 -6.465 7.238 1.00 0.00 C ATOM 200 O THR A 17 -7.500 -7.612 7.279 1.00 0.00 O ATOM 201 CB THR A 17 -6.777 -4.842 8.834 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.717 -4.843 10.257 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.896 -3.361 8.467 1.00 0.00 C ATOM 0 HA THR A 17 -8.854 -4.914 8.330 1.00 0.00 H new ATOM 0 HB THR A 17 -5.935 -5.282 8.300 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.873 -5.751 10.590 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.966 -2.849 8.714 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.090 -3.265 7.399 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.717 -2.912 9.027 1.00 0.00 H new ATOM 211 N VAL A 18 -8.358 -5.860 6.135 1.00 0.00 N ATOM 212 CA VAL A 18 -8.315 -6.535 4.849 1.00 0.00 C ATOM 213 C VAL A 18 -6.877 -6.537 4.327 1.00 0.00 C ATOM 214 O VAL A 18 -6.127 -5.590 4.560 1.00 0.00 O ATOM 215 CB VAL A 18 -9.301 -5.880 3.880 1.00 0.00 C ATOM 216 CG1 VAL A 18 -9.072 -6.370 2.449 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.746 -6.126 4.319 1.00 0.00 C ATOM 0 H VAL A 18 -8.725 -4.909 6.105 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.625 -7.575 4.954 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.123 -4.805 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.786 -5.889 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.058 -6.120 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.208 -7.451 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.427 -5.650 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.941 -7.198 4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.901 -5.705 5.313 1.00 0.00 H new ATOM 227 N LYS A 19 -6.535 -7.612 3.632 1.00 0.00 N ATOM 228 CA LYS A 19 -5.200 -7.750 3.075 1.00 0.00 C ATOM 229 C LYS A 19 -5.224 -7.353 1.598 1.00 0.00 C ATOM 230 O LYS A 19 -5.983 -7.918 0.812 1.00 0.00 O ATOM 231 CB LYS A 19 -4.658 -9.159 3.325 1.00 0.00 C ATOM 232 CG LYS A 19 -5.009 -10.094 2.166 1.00 0.00 C ATOM 233 CD LYS A 19 -4.958 -11.558 2.608 1.00 0.00 C ATOM 234 CE LYS A 19 -5.001 -12.497 1.401 1.00 0.00 C ATOM 235 NZ LYS A 19 -6.219 -13.336 1.440 1.00 0.00 N ATOM 0 H LYS A 19 -7.159 -8.396 3.442 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.507 -7.074 3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.576 -9.120 3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.072 -9.553 4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.005 -9.858 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.313 -9.935 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.048 -11.737 3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.798 -11.771 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.982 -11.915 0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.115 -13.132 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.232 -13.967 0.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.221 -13.905 2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.061 -12.726 1.423 1.00 0.00 H new ATOM 249 N ILE A 20 -4.384 -6.384 1.264 1.00 0.00 N ATOM 250 CA ILE A 20 -4.300 -5.905 -0.105 1.00 0.00 C ATOM 251 C ILE A 20 -3.422 -6.856 -0.920 1.00 0.00 C ATOM 252 O ILE A 20 -2.198 -6.733 -0.917 1.00 0.00 O ATOM 253 CB ILE A 20 -3.825 -4.451 -0.136 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.640 -3.588 0.829 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.849 -3.896 -1.561 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.168 -2.132 0.794 1.00 0.00 C ATOM 0 H ILE A 20 -3.756 -5.918 1.918 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.286 -5.904 -0.569 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.789 -4.423 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.696 -3.638 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.546 -3.980 1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.507 -2.861 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.192 -4.491 -2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.866 -3.939 -1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.763 -1.540 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.118 -2.083 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.286 -1.735 -0.214 1.00 0.00 H new ATOM 268 N SER A 21 -4.081 -7.784 -1.599 1.00 0.00 N ATOM 269 CA SER A 21 -3.375 -8.756 -2.417 1.00 0.00 C ATOM 270 C SER A 21 -2.989 -8.129 -3.758 1.00 0.00 C ATOM 271 O SER A 21 -1.807 -8.031 -4.084 1.00 0.00 O ATOM 272 CB SER A 21 -4.226 -10.008 -2.642 1.00 0.00 C ATOM 273 OG SER A 21 -3.425 -11.169 -2.841 1.00 0.00 O ATOM 0 H SER A 21 -5.096 -7.883 -1.599 1.00 0.00 H new ATOM 0 HA SER A 21 -2.470 -9.055 -1.889 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.880 -10.161 -1.783 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.869 -9.858 -3.509 1.00 0.00 H new ATOM 0 HG SER A 21 -4.005 -11.947 -2.979 1.00 0.00 H new ATOM 279 N ASN A 22 -4.009 -7.721 -4.499 1.00 0.00 N ATOM 280 CA ASN A 22 -3.790 -7.106 -5.798 1.00 0.00 C ATOM 281 C ASN A 22 -3.535 -5.609 -5.612 1.00 0.00 C ATOM 282 O ASN A 22 -4.383 -4.891 -5.084 1.00 0.00 O ATOM 283 CB ASN A 22 -5.018 -7.268 -6.697 1.00 0.00 C ATOM 284 CG ASN A 22 -4.635 -7.894 -8.039 1.00 0.00 C ATOM 285 OD1 ASN A 22 -3.472 -8.043 -8.375 1.00 0.00 O ATOM 286 ND2 ASN A 22 -5.676 -8.252 -8.786 1.00 0.00 N ATOM 0 H ASN A 22 -4.988 -7.804 -4.225 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.934 -7.595 -6.263 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.759 -7.893 -6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.482 -6.296 -6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.525 -8.679 -9.700 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.625 -8.099 -8.445 1.00 0.00 H new ATOM 293 N TYR A 23 -2.362 -5.182 -6.056 1.00 0.00 N ATOM 294 CA TYR A 23 -1.984 -3.783 -5.946 1.00 0.00 C ATOM 295 C TYR A 23 -1.077 -3.367 -7.105 1.00 0.00 C ATOM 296 O TYR A 23 -0.106 -4.055 -7.417 1.00 0.00 O ATOM 297 CB TYR A 23 -1.205 -3.659 -4.634 1.00 0.00 C ATOM 298 CG TYR A 23 0.050 -4.531 -4.572 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.216 -4.106 -5.175 1.00 0.00 C ATOM 300 CD2 TYR A 23 0.017 -5.742 -3.912 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.398 -4.926 -5.116 1.00 0.00 C ATOM 302 CE2 TYR A 23 1.199 -6.563 -3.853 1.00 0.00 C ATOM 303 CZ TYR A 23 2.331 -6.114 -4.458 1.00 0.00 C ATOM 304 OH TYR A 23 3.448 -6.889 -4.402 1.00 0.00 O ATOM 0 H TYR A 23 -1.661 -5.780 -6.493 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.867 -3.144 -5.971 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.919 -2.617 -4.490 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.862 -3.926 -3.806 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.242 -3.158 -5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.895 -6.075 -3.439 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.317 -4.605 -5.584 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.186 -7.513 -3.340 1.00 0.00 H new ATOM 0 HH TYR A 23 3.253 -7.708 -3.899 1.00 0.00 H new ATOM 314 N GLY A 24 -1.425 -2.242 -7.712 1.00 0.00 N ATOM 315 CA GLY A 24 -0.654 -1.726 -8.831 1.00 0.00 C ATOM 316 C GLY A 24 0.570 -0.949 -8.341 1.00 0.00 C ATOM 317 O GLY A 24 0.470 -0.145 -7.415 1.00 0.00 O ATOM 0 H GLY A 24 -2.230 -1.673 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.335 -2.551 -9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.282 -1.076 -9.441 1.00 0.00 H new ATOM 321 N TRP A 25 1.697 -1.215 -8.984 1.00 0.00 N ATOM 322 CA TRP A 25 2.939 -0.551 -8.625 1.00 0.00 C ATOM 323 C TRP A 25 3.672 -0.189 -9.919 1.00 0.00 C ATOM 324 O TRP A 25 3.689 -0.973 -10.867 1.00 0.00 O ATOM 325 CB TRP A 25 3.776 -1.423 -7.687 1.00 0.00 C ATOM 326 CG TRP A 25 4.434 -2.622 -8.374 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.961 -3.871 -8.484 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.711 -2.634 -9.044 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.837 -4.684 -9.174 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.935 -3.908 -9.526 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.647 -1.603 -9.239 1.00 0.00 C ATOM 332 CZ2 TRP A 25 7.089 -4.269 -10.232 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.795 -1.980 -9.946 1.00 0.00 C ATOM 334 CH2 TRP A 25 8.035 -3.258 -10.437 1.00 0.00 C ATOM 0 H TRP A 25 1.776 -1.882 -9.752 1.00 0.00 H new ATOM 0 HA TRP A 25 2.740 0.365 -8.069 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.552 -0.808 -7.231 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.140 -1.784 -6.879 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.014 -4.200 -8.083 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.703 -5.673 -9.387 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.492 -0.599 -8.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.241 -5.273 -10.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.547 -1.225 -10.122 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.948 -3.470 -10.974 1.00 0.00 H new ATOM 345 N ASP A 26 4.260 0.998 -9.916 1.00 0.00 N ATOM 346 CA ASP A 26 4.993 1.473 -11.077 1.00 0.00 C ATOM 347 C ASP A 26 6.300 2.122 -10.619 1.00 0.00 C ATOM 348 O ASP A 26 6.336 2.794 -9.589 1.00 0.00 O ATOM 349 CB ASP A 26 4.187 2.523 -11.845 1.00 0.00 C ATOM 350 CG ASP A 26 2.674 2.301 -11.850 1.00 0.00 C ATOM 351 OD1 ASP A 26 2.271 1.137 -11.638 1.00 0.00 O ATOM 352 OD2 ASP A 26 1.954 3.300 -12.066 1.00 0.00 O ATOM 0 H ASP A 26 4.244 1.645 -9.128 1.00 0.00 H new ATOM 0 HA ASP A 26 5.185 0.619 -11.727 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.394 3.503 -11.415 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.539 2.546 -12.876 1.00 0.00 H new ATOM 357 N GLN A 27 7.342 1.898 -11.406 1.00 0.00 N ATOM 358 CA GLN A 27 8.649 2.453 -11.094 1.00 0.00 C ATOM 359 C GLN A 27 9.136 3.341 -12.241 1.00 0.00 C ATOM 360 O GLN A 27 8.794 3.108 -13.399 1.00 0.00 O ATOM 361 CB GLN A 27 9.658 1.343 -10.792 1.00 0.00 C ATOM 362 CG GLN A 27 10.031 0.581 -12.065 1.00 0.00 C ATOM 363 CD GLN A 27 9.011 -0.521 -12.363 1.00 0.00 C ATOM 364 OE1 GLN A 27 7.819 -0.285 -12.473 1.00 0.00 O ATOM 365 NE2 GLN A 27 9.544 -1.733 -12.488 1.00 0.00 N ATOM 0 H GLN A 27 7.308 1.340 -12.259 1.00 0.00 H new ATOM 0 HA GLN A 27 8.557 3.068 -10.199 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.554 1.773 -10.345 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.237 0.653 -10.061 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.081 1.273 -12.906 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.023 0.143 -11.954 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.551 -1.861 -12.384 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.946 -2.535 -12.688 1.00 0.00 H new ATOM 374 N SER A 28 9.927 4.340 -11.878 1.00 0.00 N ATOM 375 CA SER A 28 10.465 5.263 -12.862 1.00 0.00 C ATOM 376 C SER A 28 11.922 5.591 -12.531 1.00 0.00 C ATOM 377 O SER A 28 12.300 5.642 -11.361 1.00 0.00 O ATOM 378 CB SER A 28 9.633 6.546 -12.926 1.00 0.00 C ATOM 379 OG SER A 28 9.127 6.789 -14.235 1.00 0.00 O ATOM 0 H SER A 28 10.208 4.530 -10.916 1.00 0.00 H new ATOM 0 HA SER A 28 10.421 4.784 -13.840 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.802 6.475 -12.224 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.245 7.391 -12.611 1.00 0.00 H new ATOM 0 HG SER A 28 8.600 7.615 -14.234 1.00 0.00 H new ATOM 385 N ASP A 29 12.701 5.806 -13.581 1.00 0.00 N ATOM 386 CA ASP A 29 14.108 6.128 -13.416 1.00 0.00 C ATOM 387 C ASP A 29 14.238 7.482 -12.716 1.00 0.00 C ATOM 388 O ASP A 29 14.576 8.482 -13.348 1.00 0.00 O ATOM 389 CB ASP A 29 14.813 6.226 -14.770 1.00 0.00 C ATOM 390 CG ASP A 29 15.111 4.885 -15.443 1.00 0.00 C ATOM 391 OD1 ASP A 29 14.239 3.994 -15.344 1.00 0.00 O ATOM 392 OD2 ASP A 29 16.204 4.780 -16.041 1.00 0.00 O ATOM 0 H ASP A 29 12.384 5.763 -14.550 1.00 0.00 H new ATOM 0 HA ASP A 29 14.569 5.335 -12.826 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.196 6.823 -15.441 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.751 6.764 -14.636 1.00 0.00 H new ATOM 397 N LYS A 30 13.965 7.471 -11.419 1.00 0.00 N ATOM 398 CA LYS A 30 14.047 8.685 -10.627 1.00 0.00 C ATOM 399 C LYS A 30 13.358 8.458 -9.280 1.00 0.00 C ATOM 400 O LYS A 30 13.916 8.776 -8.231 1.00 0.00 O ATOM 401 CB LYS A 30 13.489 9.875 -11.410 1.00 0.00 C ATOM 402 CG LYS A 30 14.605 10.845 -11.804 1.00 0.00 C ATOM 403 CD LYS A 30 14.034 12.094 -12.478 1.00 0.00 C ATOM 404 CE LYS A 30 13.737 13.185 -11.449 1.00 0.00 C ATOM 405 NZ LYS A 30 13.593 14.500 -12.114 1.00 0.00 N ATOM 0 H LYS A 30 13.687 6.640 -10.898 1.00 0.00 H new ATOM 0 HA LYS A 30 15.087 8.932 -10.416 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.979 9.519 -12.305 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.746 10.396 -10.806 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.171 11.132 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.301 10.349 -12.480 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.742 12.469 -13.217 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.121 11.837 -13.014 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.823 12.943 -10.907 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.541 13.229 -10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.392 15.230 -11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.475 14.736 -12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.811 14.459 -12.798 1.00 0.00 H new ATOM 419 N PHE A 31 12.154 7.909 -9.352 1.00 0.00 N ATOM 420 CA PHE A 31 11.383 7.635 -8.152 1.00 0.00 C ATOM 421 C PHE A 31 10.356 6.528 -8.400 1.00 0.00 C ATOM 422 O PHE A 31 9.846 6.388 -9.510 1.00 0.00 O ATOM 423 CB PHE A 31 10.646 8.926 -7.789 1.00 0.00 C ATOM 424 CG PHE A 31 11.571 10.100 -7.464 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.427 10.020 -6.410 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.538 11.225 -8.228 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.285 11.110 -6.107 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.396 12.315 -7.926 1.00 0.00 C ATOM 429 CZ PHE A 31 13.252 12.234 -6.872 1.00 0.00 C ATOM 0 H PHE A 31 11.694 7.647 -10.224 1.00 0.00 H new ATOM 0 HA PHE A 31 12.046 7.306 -7.352 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.997 9.207 -8.618 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.002 8.736 -6.930 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.454 9.127 -5.803 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.859 11.289 -9.065 1.00 0.00 H new ATOM 0 HE1 PHE A 31 13.964 11.047 -5.269 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.369 13.208 -8.533 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.906 13.063 -6.643 1.00 0.00 H new ATOM 439 N VAL A 32 10.084 5.771 -7.348 1.00 0.00 N ATOM 440 CA VAL A 32 9.128 4.681 -7.438 1.00 0.00 C ATOM 441 C VAL A 32 7.833 5.085 -6.730 1.00 0.00 C ATOM 442 O VAL A 32 7.864 5.804 -5.733 1.00 0.00 O ATOM 443 CB VAL A 32 9.742 3.398 -6.874 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.665 2.340 -6.620 1.00 0.00 C ATOM 445 CG2 VAL A 32 10.833 2.859 -7.801 1.00 0.00 C ATOM 0 H VAL A 32 10.509 5.891 -6.429 1.00 0.00 H new ATOM 0 HA VAL A 32 8.880 4.476 -8.479 1.00 0.00 H new ATOM 0 HB VAL A 32 10.205 3.640 -5.918 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.128 1.438 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.939 2.724 -5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.160 2.103 -7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.253 1.947 -7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.404 2.640 -8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.620 3.605 -7.909 1.00 0.00 H new ATOM 455 N LYS A 33 6.724 4.604 -7.274 1.00 0.00 N ATOM 456 CA LYS A 33 5.421 4.906 -6.707 1.00 0.00 C ATOM 457 C LYS A 33 4.488 3.712 -6.919 1.00 0.00 C ATOM 458 O LYS A 33 4.598 3.003 -7.919 1.00 0.00 O ATOM 459 CB LYS A 33 4.879 6.218 -7.278 1.00 0.00 C ATOM 460 CG LYS A 33 3.377 6.349 -7.022 1.00 0.00 C ATOM 461 CD LYS A 33 2.924 7.805 -7.143 1.00 0.00 C ATOM 462 CE LYS A 33 3.733 8.543 -8.212 1.00 0.00 C ATOM 463 NZ LYS A 33 3.191 9.904 -8.426 1.00 0.00 N ATOM 0 H LYS A 33 6.702 4.008 -8.101 1.00 0.00 H new ATOM 0 HA LYS A 33 5.501 5.062 -5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.403 7.060 -6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.074 6.260 -8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.828 5.733 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.140 5.972 -6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.864 7.840 -7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.040 8.307 -6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.778 8.605 -7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.706 7.984 -9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.920 10.017 -9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.356 10.044 -7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.916 10.609 -8.182 1.00 0.00 H new ATOM 477 N ILE A 34 3.591 3.525 -5.962 1.00 0.00 N ATOM 478 CA ILE A 34 2.639 2.429 -6.032 1.00 0.00 C ATOM 479 C ILE A 34 1.217 2.993 -6.043 1.00 0.00 C ATOM 480 O ILE A 34 0.952 4.030 -5.435 1.00 0.00 O ATOM 481 CB ILE A 34 2.894 1.426 -4.905 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.262 0.758 -5.064 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.762 0.401 -4.816 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.273 1.335 -4.071 1.00 0.00 C ATOM 0 H ILE A 34 3.503 4.114 -5.134 1.00 0.00 H new ATOM 0 HA ILE A 34 2.768 1.871 -6.960 1.00 0.00 H new ATOM 0 HB ILE A 34 2.910 1.970 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.166 -0.317 -4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.624 0.901 -6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.968 -0.300 -4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.821 0.915 -4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.689 -0.143 -5.758 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.236 0.843 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.385 2.405 -4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.919 1.168 -3.054 1.00 0.00 H new ATOM 496 N TYR A 35 0.340 2.287 -6.740 1.00 0.00 N ATOM 497 CA TYR A 35 -1.048 2.704 -6.838 1.00 0.00 C ATOM 498 C TYR A 35 -1.994 1.546 -6.514 1.00 0.00 C ATOM 499 O TYR A 35 -2.135 0.615 -7.306 1.00 0.00 O ATOM 500 CB TYR A 35 -1.260 3.128 -8.293 1.00 0.00 C ATOM 501 CG TYR A 35 -0.099 3.932 -8.882 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.122 3.324 -9.098 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.272 5.264 -9.197 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.214 4.081 -9.652 1.00 0.00 C ATOM 505 CE2 TYR A 35 0.821 6.021 -9.751 1.00 0.00 C ATOM 506 CZ TYR A 35 2.010 5.392 -9.952 1.00 0.00 C ATOM 507 OH TYR A 35 3.042 6.107 -10.475 1.00 0.00 O ATOM 0 H TYR A 35 0.564 1.428 -7.243 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.257 3.509 -6.133 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.417 2.237 -8.901 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.171 3.723 -8.358 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.258 2.281 -8.851 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.227 5.739 -9.028 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.174 3.618 -9.826 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.699 7.065 -10.001 1.00 0.00 H new ATOM 0 HH TYR A 35 2.700 6.942 -10.858 1.00 0.00 H new ATOM 517 N ILE A 36 -2.617 1.640 -5.349 1.00 0.00 N ATOM 518 CA ILE A 36 -3.544 0.611 -4.911 1.00 0.00 C ATOM 519 C ILE A 36 -4.976 1.135 -5.036 1.00 0.00 C ATOM 520 O ILE A 36 -5.225 2.325 -4.848 1.00 0.00 O ATOM 521 CB ILE A 36 -3.186 0.131 -3.503 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.818 -0.553 -3.488 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.284 -0.770 -2.935 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.801 0.270 -2.695 1.00 0.00 C ATOM 0 H ILE A 36 -2.498 2.413 -4.695 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.468 -0.268 -5.551 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.117 1.003 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.909 -1.546 -3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.464 -0.688 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.004 -1.097 -1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.221 -0.215 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.410 -1.640 -3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.163 -0.239 -2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.694 1.254 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.146 0.382 -1.667 1.00 0.00 H new ATOM 536 N THR A 37 -5.881 0.221 -5.354 1.00 0.00 N ATOM 537 CA THR A 37 -7.282 0.575 -5.507 1.00 0.00 C ATOM 538 C THR A 37 -8.016 0.437 -4.172 1.00 0.00 C ATOM 539 O THR A 37 -8.277 -0.675 -3.715 1.00 0.00 O ATOM 540 CB THR A 37 -7.872 -0.296 -6.618 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.413 0.317 -7.820 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.395 -0.186 -6.701 1.00 0.00 C ATOM 0 H THR A 37 -5.671 -0.765 -5.510 1.00 0.00 H new ATOM 0 HA THR A 37 -7.396 1.619 -5.798 1.00 0.00 H new ATOM 0 HB THR A 37 -7.592 -1.336 -6.451 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.748 -0.185 -8.592 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.763 -0.823 -7.505 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.835 -0.504 -5.756 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.675 0.848 -6.901 1.00 0.00 H new ATOM 550 N LEU A 38 -8.328 1.582 -3.583 1.00 0.00 N ATOM 551 CA LEU A 38 -9.027 1.603 -2.309 1.00 0.00 C ATOM 552 C LEU A 38 -10.079 2.713 -2.327 1.00 0.00 C ATOM 553 O LEU A 38 -9.751 3.887 -2.155 1.00 0.00 O ATOM 554 CB LEU A 38 -8.031 1.718 -1.153 1.00 0.00 C ATOM 555 CG LEU A 38 -8.276 0.790 0.038 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.771 0.534 0.235 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.486 -0.512 -0.109 1.00 0.00 C ATOM 0 H LEU A 38 -8.110 2.502 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.557 0.664 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.031 1.523 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.039 2.747 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.913 1.287 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.917 -0.129 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.281 1.480 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.182 0.068 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.678 -1.153 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.795 -1.024 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.421 -0.287 -0.163 1.00 0.00 H new ATOM 569 N THR A 39 -11.321 2.304 -2.538 1.00 0.00 N ATOM 570 CA THR A 39 -12.423 3.250 -2.581 1.00 0.00 C ATOM 571 C THR A 39 -12.819 3.673 -1.164 1.00 0.00 C ATOM 572 O THR A 39 -13.282 2.852 -0.374 1.00 0.00 O ATOM 573 CB THR A 39 -13.568 2.607 -3.365 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.310 2.971 -4.718 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.922 3.250 -3.058 1.00 0.00 C ATOM 0 H THR A 39 -11.589 1.330 -2.681 1.00 0.00 H new ATOM 0 HA THR A 39 -12.135 4.169 -3.092 1.00 0.00 H new ATOM 0 HB THR A 39 -13.612 1.542 -3.135 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.005 2.594 -5.297 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.700 2.756 -3.641 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.142 3.145 -1.996 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.890 4.308 -3.319 1.00 0.00 H new ATOM 583 N GLY A 40 -12.622 4.953 -0.886 1.00 0.00 N ATOM 584 CA GLY A 40 -12.952 5.495 0.421 1.00 0.00 C ATOM 585 C GLY A 40 -11.699 6.006 1.135 1.00 0.00 C ATOM 586 O GLY A 40 -11.788 6.855 2.021 1.00 0.00 O ATOM 0 H GLY A 40 -12.238 5.631 -1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.669 6.308 0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.432 4.726 1.027 1.00 0.00 H new ATOM 590 N VAL A 41 -10.561 5.468 0.723 1.00 0.00 N ATOM 591 CA VAL A 41 -9.292 5.859 1.312 1.00 0.00 C ATOM 592 C VAL A 41 -9.108 7.371 1.160 1.00 0.00 C ATOM 593 O VAL A 41 -8.320 7.980 1.882 1.00 0.00 O ATOM 594 CB VAL A 41 -8.153 5.053 0.685 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.931 5.460 -0.773 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.865 5.200 1.498 1.00 0.00 C ATOM 0 H VAL A 41 -10.491 4.764 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.282 5.635 2.379 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.440 4.001 0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.116 4.872 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.842 5.280 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.677 6.519 -0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.071 4.617 1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.573 6.250 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.032 4.838 2.512 1.00 0.00 H new ATOM 606 N HIS A 42 -9.849 7.933 0.216 1.00 0.00 N ATOM 607 CA HIS A 42 -9.777 9.361 -0.040 1.00 0.00 C ATOM 608 C HIS A 42 -10.801 10.091 0.833 1.00 0.00 C ATOM 609 O HIS A 42 -10.954 11.307 0.731 1.00 0.00 O ATOM 610 CB HIS A 42 -9.953 9.655 -1.531 1.00 0.00 C ATOM 611 CG HIS A 42 -11.389 9.633 -1.997 1.00 0.00 C ATOM 612 ND1 HIS A 42 -12.045 8.465 -2.346 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.287 10.645 -2.166 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.282 8.773 -2.709 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.430 10.125 -2.597 1.00 0.00 N ATOM 0 H HIS A 42 -10.502 7.425 -0.381 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.789 9.733 0.230 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.526 10.633 -1.751 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.385 8.923 -2.105 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.100 11.692 -1.981 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -14.040 8.076 -3.036 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.279 10.649 -2.809 1.00 0.00 H new ATOM 623 N GLN A 43 -11.475 9.317 1.671 1.00 0.00 N ATOM 624 CA GLN A 43 -12.479 9.874 2.561 1.00 0.00 C ATOM 625 C GLN A 43 -12.039 9.723 4.018 1.00 0.00 C ATOM 626 O GLN A 43 -12.574 10.388 4.904 1.00 0.00 O ATOM 627 CB GLN A 43 -13.842 9.219 2.328 1.00 0.00 C ATOM 628 CG GLN A 43 -14.313 9.429 0.888 1.00 0.00 C ATOM 629 CD GLN A 43 -15.841 9.400 0.801 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.545 9.435 1.796 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.311 9.335 -0.441 1.00 0.00 N ATOM 0 H GLN A 43 -11.345 8.309 1.752 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.582 10.937 2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.778 8.152 2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.574 9.639 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.942 10.384 0.516 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.894 8.653 0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.665 9.309 -1.230 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.317 9.312 -0.605 1.00 0.00 H new ATOM 640 N VAL A 44 -11.069 8.844 4.222 1.00 0.00 N ATOM 641 CA VAL A 44 -10.551 8.597 5.557 1.00 0.00 C ATOM 642 C VAL A 44 -9.432 9.596 5.859 1.00 0.00 C ATOM 643 O VAL A 44 -8.760 10.074 4.946 1.00 0.00 O ATOM 644 CB VAL A 44 -10.102 7.140 5.683 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.254 6.182 5.373 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.897 6.858 4.783 1.00 0.00 C ATOM 0 H VAL A 44 -10.628 8.294 3.485 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.331 8.748 6.303 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.796 6.972 6.716 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.908 5.153 5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.071 6.357 6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.605 6.352 4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.598 5.815 4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.165 7.052 3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.068 7.505 5.071 1.00 0.00 H new ATOM 656 N PRO A 45 -9.263 9.890 7.176 1.00 0.00 N ATOM 657 CA PRO A 45 -8.238 10.824 7.608 1.00 0.00 C ATOM 658 C PRO A 45 -6.849 10.184 7.538 1.00 0.00 C ATOM 659 O PRO A 45 -6.728 8.977 7.333 1.00 0.00 O ATOM 660 CB PRO A 45 -8.637 11.221 9.020 1.00 0.00 C ATOM 661 CG PRO A 45 -9.605 10.150 9.496 1.00 0.00 C ATOM 662 CD PRO A 45 -10.042 9.344 8.283 1.00 0.00 C ATOM 0 HA PRO A 45 -8.171 11.702 6.965 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.765 11.277 9.671 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.106 12.205 9.031 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.127 9.503 10.232 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.468 10.604 9.983 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.843 8.281 8.421 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.112 9.447 8.103 1.00 0.00 H new ATOM 670 N THR A 46 -5.838 11.022 7.710 1.00 0.00 N ATOM 671 CA THR A 46 -4.463 10.554 7.668 1.00 0.00 C ATOM 672 C THR A 46 -4.125 9.777 8.942 1.00 0.00 C ATOM 673 O THR A 46 -3.025 9.242 9.074 1.00 0.00 O ATOM 674 CB THR A 46 -3.557 11.765 7.437 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.242 11.218 7.422 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.548 12.726 8.628 1.00 0.00 C ATOM 0 H THR A 46 -5.943 12.022 7.879 1.00 0.00 H new ATOM 0 HA THR A 46 -4.309 9.854 6.847 1.00 0.00 H new ATOM 0 HB THR A 46 -3.885 12.297 6.544 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.194 10.465 8.048 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.890 13.567 8.412 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.559 13.093 8.807 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.189 12.203 9.515 1.00 0.00 H new ATOM 684 N GLU A 47 -5.091 9.741 9.849 1.00 0.00 N ATOM 685 CA GLU A 47 -4.909 9.039 11.108 1.00 0.00 C ATOM 686 C GLU A 47 -5.243 7.555 10.941 1.00 0.00 C ATOM 687 O GLU A 47 -4.755 6.716 11.698 1.00 0.00 O ATOM 688 CB GLU A 47 -5.757 9.670 12.214 1.00 0.00 C ATOM 689 CG GLU A 47 -7.246 9.415 11.977 1.00 0.00 C ATOM 690 CD GLU A 47 -7.984 9.203 13.301 1.00 0.00 C ATOM 691 OE1 GLU A 47 -7.611 8.244 14.011 1.00 0.00 O ATOM 692 OE2 GLU A 47 -8.904 10.004 13.572 1.00 0.00 O ATOM 0 H GLU A 47 -6.002 10.187 9.737 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.863 9.125 11.402 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.464 9.260 13.180 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.570 10.743 12.253 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.683 10.260 11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.372 8.538 11.342 1.00 0.00 H new ATOM 699 N ASN A 48 -6.071 7.275 9.945 1.00 0.00 N ATOM 700 CA ASN A 48 -6.475 5.907 9.669 1.00 0.00 C ATOM 701 C ASN A 48 -5.478 5.272 8.697 1.00 0.00 C ATOM 702 O ASN A 48 -5.437 4.051 8.555 1.00 0.00 O ATOM 703 CB ASN A 48 -7.860 5.862 9.022 1.00 0.00 C ATOM 704 CG ASN A 48 -8.957 6.118 10.058 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.722 6.153 11.254 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.166 6.295 9.532 1.00 0.00 N ATOM 0 H ASN A 48 -6.473 7.973 9.319 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.501 5.365 10.615 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.920 6.609 8.231 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.016 4.890 8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.966 6.473 10.140 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.293 6.253 8.521 1.00 0.00 H new ATOM 713 N VAL A 49 -4.700 6.129 8.053 1.00 0.00 N ATOM 714 CA VAL A 49 -3.707 5.667 7.098 1.00 0.00 C ATOM 715 C VAL A 49 -2.315 5.777 7.723 1.00 0.00 C ATOM 716 O VAL A 49 -1.739 6.863 7.778 1.00 0.00 O ATOM 717 CB VAL A 49 -3.837 6.447 5.788 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.998 5.804 4.682 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.303 6.567 5.365 1.00 0.00 C ATOM 0 H VAL A 49 -4.737 7.141 8.174 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.872 4.618 6.853 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.454 7.453 5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.108 6.378 3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.950 5.794 4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.338 4.782 4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.368 7.126 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.723 5.571 5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.864 7.090 6.140 1.00 0.00 H new ATOM 729 N GLN A 50 -1.814 4.639 8.179 1.00 0.00 N ATOM 730 CA GLN A 50 -0.500 4.594 8.799 1.00 0.00 C ATOM 731 C GLN A 50 0.486 3.847 7.898 1.00 0.00 C ATOM 732 O GLN A 50 0.384 2.632 7.733 1.00 0.00 O ATOM 733 CB GLN A 50 -0.570 3.953 10.186 1.00 0.00 C ATOM 734 CG GLN A 50 -0.670 5.019 11.279 1.00 0.00 C ATOM 735 CD GLN A 50 0.267 4.698 12.445 1.00 0.00 C ATOM 736 OE1 GLN A 50 0.219 3.633 13.039 1.00 0.00 O ATOM 737 NE2 GLN A 50 1.119 5.676 12.739 1.00 0.00 N ATOM 0 H GLN A 50 -2.294 3.740 8.132 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.144 5.616 8.926 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.433 3.289 10.241 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.315 3.339 10.352 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.419 5.995 10.864 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.697 5.080 11.639 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.106 6.543 12.201 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.786 5.559 13.502 1.00 0.00 H new ATOM 746 N VAL A 51 1.418 4.605 7.339 1.00 0.00 N ATOM 747 CA VAL A 51 2.422 4.030 6.460 1.00 0.00 C ATOM 748 C VAL A 51 3.811 4.481 6.915 1.00 0.00 C ATOM 749 O VAL A 51 4.001 5.638 7.287 1.00 0.00 O ATOM 750 CB VAL A 51 2.119 4.401 5.007 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.505 5.799 4.915 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.375 4.295 4.140 1.00 0.00 C ATOM 0 H VAL A 51 1.499 5.612 7.478 1.00 0.00 H new ATOM 0 HA VAL A 51 2.400 2.942 6.515 1.00 0.00 H new ATOM 0 HB VAL A 51 1.388 3.688 4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.299 6.038 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.575 5.826 5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.202 6.530 5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.131 4.564 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.139 4.973 4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.751 3.272 4.168 1.00 0.00 H new ATOM 762 N HIS A 52 4.747 3.545 6.870 1.00 0.00 N ATOM 763 CA HIS A 52 6.113 3.832 7.272 1.00 0.00 C ATOM 764 C HIS A 52 7.080 3.352 6.188 1.00 0.00 C ATOM 765 O HIS A 52 6.986 2.216 5.726 1.00 0.00 O ATOM 766 CB HIS A 52 6.414 3.225 8.644 1.00 0.00 C ATOM 767 CG HIS A 52 7.805 3.518 9.154 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.504 2.645 9.969 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.618 4.595 8.956 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.684 3.183 10.243 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.752 4.392 9.615 1.00 0.00 N ATOM 0 H HIS A 52 4.586 2.586 6.561 1.00 0.00 H new ATOM 0 HA HIS A 52 6.245 4.909 7.377 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.687 3.602 9.364 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.278 2.145 8.590 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.379 5.466 8.363 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.456 2.742 10.856 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.544 5.034 9.647 1.00 0.00 H new ATOM 779 N PHE A 53 7.986 4.243 5.812 1.00 0.00 N ATOM 780 CA PHE A 53 8.969 3.925 4.790 1.00 0.00 C ATOM 781 C PHE A 53 10.302 3.517 5.420 1.00 0.00 C ATOM 782 O PHE A 53 10.683 4.037 6.467 1.00 0.00 O ATOM 783 CB PHE A 53 9.177 5.193 3.960 1.00 0.00 C ATOM 784 CG PHE A 53 7.897 5.734 3.318 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.182 4.952 2.465 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.475 6.995 3.600 1.00 0.00 C ATOM 787 CE1 PHE A 53 5.995 5.453 1.869 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.288 7.497 3.004 1.00 0.00 C ATOM 789 CZ PHE A 53 5.573 6.715 2.151 1.00 0.00 C ATOM 0 H PHE A 53 8.060 5.185 6.197 1.00 0.00 H new ATOM 0 HA PHE A 53 8.617 3.093 4.180 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.606 5.966 4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.905 4.986 3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.517 3.950 2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.043 7.615 4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.427 4.832 1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.953 8.499 3.228 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.670 7.096 1.698 1.00 0.00 H new ATOM 799 N THR A 54 10.976 2.591 4.754 1.00 0.00 N ATOM 800 CA THR A 54 12.259 2.107 5.235 1.00 0.00 C ATOM 801 C THR A 54 13.310 2.192 4.127 1.00 0.00 C ATOM 802 O THR A 54 13.065 2.784 3.077 1.00 0.00 O ATOM 803 CB THR A 54 12.058 0.690 5.775 1.00 0.00 C ATOM 804 OG1 THR A 54 11.349 0.020 4.736 1.00 0.00 O ATOM 805 CG2 THR A 54 11.100 0.648 6.967 1.00 0.00 C ATOM 0 H THR A 54 10.658 2.163 3.885 1.00 0.00 H new ATOM 0 HA THR A 54 12.637 2.728 6.047 1.00 0.00 H new ATOM 0 HB THR A 54 13.021 0.274 6.069 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.394 0.551 3.914 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.993 -0.381 7.311 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.498 1.262 7.775 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.126 1.033 6.665 1.00 0.00 H new ATOM 813 N GLU A 55 14.459 1.591 4.398 1.00 0.00 N ATOM 814 CA GLU A 55 15.549 1.591 3.437 1.00 0.00 C ATOM 815 C GLU A 55 15.268 0.588 2.316 1.00 0.00 C ATOM 816 O GLU A 55 15.631 0.822 1.164 1.00 0.00 O ATOM 817 CB GLU A 55 16.884 1.288 4.122 1.00 0.00 C ATOM 818 CG GLU A 55 17.405 -0.093 3.720 1.00 0.00 C ATOM 819 CD GLU A 55 18.505 -0.563 4.675 1.00 0.00 C ATOM 820 OE1 GLU A 55 18.292 -0.422 5.899 1.00 0.00 O ATOM 821 OE2 GLU A 55 19.533 -1.053 4.160 1.00 0.00 O ATOM 0 H GLU A 55 14.659 1.100 5.270 1.00 0.00 H new ATOM 0 HA GLU A 55 15.621 2.586 2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.616 2.049 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.760 1.333 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.584 -0.810 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.793 -0.057 2.702 1.00 0.00 H new ATOM 828 N ARG A 56 14.625 -0.507 2.693 1.00 0.00 N ATOM 829 CA ARG A 56 14.291 -1.546 1.733 1.00 0.00 C ATOM 830 C ARG A 56 12.943 -2.180 2.085 1.00 0.00 C ATOM 831 O ARG A 56 12.863 -3.384 2.321 1.00 0.00 O ATOM 832 CB ARG A 56 15.366 -2.634 1.704 1.00 0.00 C ATOM 833 CG ARG A 56 16.697 -2.076 1.194 1.00 0.00 C ATOM 834 CD ARG A 56 16.870 -2.351 -0.301 1.00 0.00 C ATOM 835 NE ARG A 56 17.987 -3.297 -0.516 1.00 0.00 N ATOM 836 CZ ARG A 56 17.846 -4.629 -0.562 1.00 0.00 C ATOM 837 NH1 ARG A 56 16.634 -5.180 -0.408 1.00 0.00 N ATOM 838 NH2 ARG A 56 18.916 -5.410 -0.761 1.00 0.00 N ATOM 0 H ARG A 56 14.326 -0.698 3.649 1.00 0.00 H new ATOM 0 HA ARG A 56 14.232 -1.082 0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.499 -3.045 2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.042 -3.454 1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.739 -1.002 1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.521 -2.527 1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.949 -2.764 -0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.065 -1.418 -0.830 1.00 0.00 H new ATOM 0 HE ARG A 56 18.923 -2.911 -0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.819 -4.586 -0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.526 -6.194 -0.443 1.00 0.00 H new ATOM 0 HH21 ARG A 56 19.839 -4.991 -0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 56 18.808 -6.424 -0.796 1.00 0.00 H new ATOM 852 N SER A 57 11.919 -1.340 2.108 1.00 0.00 N ATOM 853 CA SER A 57 10.579 -1.803 2.426 1.00 0.00 C ATOM 854 C SER A 57 9.675 -0.611 2.744 1.00 0.00 C ATOM 855 O SER A 57 10.132 0.531 2.767 1.00 0.00 O ATOM 856 CB SER A 57 10.599 -2.783 3.601 1.00 0.00 C ATOM 857 OG SER A 57 11.534 -2.394 4.604 1.00 0.00 O ATOM 0 H SER A 57 11.990 -0.342 1.912 1.00 0.00 H new ATOM 0 HA SER A 57 10.184 -2.328 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.603 -2.845 4.039 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.850 -3.780 3.238 1.00 0.00 H new ATOM 0 HG SER A 57 11.691 -1.428 4.548 1.00 0.00 H new ATOM 863 N PHE A 58 8.408 -0.916 2.982 1.00 0.00 N ATOM 864 CA PHE A 58 7.435 0.116 3.298 1.00 0.00 C ATOM 865 C PHE A 58 6.097 -0.499 3.713 1.00 0.00 C ATOM 866 O PHE A 58 5.546 -1.334 2.998 1.00 0.00 O ATOM 867 CB PHE A 58 7.231 0.942 2.026 1.00 0.00 C ATOM 868 CG PHE A 58 6.006 0.530 1.207 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.756 0.729 1.704 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.168 -0.036 -0.020 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.620 0.347 0.944 1.00 0.00 C ATOM 872 CE2 PHE A 58 5.031 -0.419 -0.780 1.00 0.00 C ATOM 873 CZ PHE A 58 3.782 -0.220 -0.283 1.00 0.00 C ATOM 0 H PHE A 58 8.032 -1.864 2.962 1.00 0.00 H new ATOM 0 HA PHE A 58 7.795 0.726 4.126 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.136 1.993 2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.120 0.854 1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.628 1.178 2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.161 -0.194 -0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.627 0.506 1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.159 -0.869 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.918 -0.512 -0.861 1.00 0.00 H new ATOM 883 N ASP A 59 5.614 -0.062 4.867 1.00 0.00 N ATOM 884 CA ASP A 59 4.352 -0.560 5.386 1.00 0.00 C ATOM 885 C ASP A 59 3.268 0.500 5.180 1.00 0.00 C ATOM 886 O ASP A 59 3.542 1.697 5.254 1.00 0.00 O ATOM 887 CB ASP A 59 4.449 -0.852 6.884 1.00 0.00 C ATOM 888 CG ASP A 59 5.188 0.209 7.703 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.435 0.224 7.618 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.489 0.980 8.395 1.00 0.00 O ATOM 0 H ASP A 59 6.074 0.631 5.457 1.00 0.00 H new ATOM 0 HA ASP A 59 4.108 -1.480 4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.441 -0.961 7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.951 -1.810 7.020 1.00 0.00 H new ATOM 895 N LEU A 60 2.059 0.022 4.924 1.00 0.00 N ATOM 896 CA LEU A 60 0.932 0.914 4.707 1.00 0.00 C ATOM 897 C LEU A 60 -0.326 0.300 5.325 1.00 0.00 C ATOM 898 O LEU A 60 -0.787 -0.752 4.885 1.00 0.00 O ATOM 899 CB LEU A 60 0.789 1.243 3.220 1.00 0.00 C ATOM 900 CG LEU A 60 -0.195 2.363 2.873 1.00 0.00 C ATOM 901 CD1 LEU A 60 -0.926 2.064 1.562 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.167 2.616 4.027 1.00 0.00 C ATOM 0 H LEU A 60 1.835 -0.971 4.862 1.00 0.00 H new ATOM 0 HA LEU A 60 1.099 1.868 5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.771 1.516 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.479 0.339 2.696 1.00 0.00 H new ATOM 0 HG LEU A 60 0.372 3.282 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.619 2.875 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.201 1.973 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.480 1.130 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.855 3.416 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.731 1.707 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.608 2.906 4.917 1.00 0.00 H new ATOM 914 N LEU A 61 -0.844 0.983 6.335 1.00 0.00 N ATOM 915 CA LEU A 61 -2.039 0.517 7.018 1.00 0.00 C ATOM 916 C LEU A 61 -3.211 1.439 6.672 1.00 0.00 C ATOM 917 O LEU A 61 -3.021 2.635 6.456 1.00 0.00 O ATOM 918 CB LEU A 61 -1.782 0.387 8.520 1.00 0.00 C ATOM 919 CG LEU A 61 -3.022 0.227 9.402 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.875 1.496 9.384 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.826 -1.010 8.997 1.00 0.00 C ATOM 0 H LEU A 61 -0.458 1.855 6.697 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.307 -0.483 6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.131 -0.472 8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.236 1.270 8.853 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.693 0.075 10.430 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.750 1.355 10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.287 2.335 9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.197 1.704 8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.702 -1.101 9.639 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.145 -0.913 7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.204 -1.899 9.103 1.00 0.00 H new ATOM 933 N VAL A 62 -4.395 0.847 6.631 1.00 0.00 N ATOM 934 CA VAL A 62 -5.597 1.601 6.315 1.00 0.00 C ATOM 935 C VAL A 62 -6.755 1.089 7.174 1.00 0.00 C ATOM 936 O VAL A 62 -7.209 -0.041 7.001 1.00 0.00 O ATOM 937 CB VAL A 62 -5.886 1.521 4.815 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.227 2.175 4.479 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.750 2.149 4.004 1.00 0.00 C ATOM 0 H VAL A 62 -4.548 -0.145 6.811 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.458 2.656 6.550 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.950 0.468 4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.408 2.104 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.026 1.664 5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.204 3.224 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.980 2.079 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.640 3.197 4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.820 1.619 4.209 1.00 0.00 H new ATOM 949 N LYS A 63 -7.200 1.945 8.082 1.00 0.00 N ATOM 950 CA LYS A 63 -8.296 1.594 8.969 1.00 0.00 C ATOM 951 C LYS A 63 -9.536 2.405 8.586 1.00 0.00 C ATOM 952 O LYS A 63 -9.438 3.385 7.850 1.00 0.00 O ATOM 953 CB LYS A 63 -7.878 1.763 10.431 1.00 0.00 C ATOM 954 CG LYS A 63 -7.707 0.404 11.113 1.00 0.00 C ATOM 955 CD LYS A 63 -6.392 0.343 11.891 1.00 0.00 C ATOM 956 CE LYS A 63 -5.800 -1.067 11.859 1.00 0.00 C ATOM 957 NZ LYS A 63 -6.050 -1.764 13.140 1.00 0.00 N ATOM 0 H LYS A 63 -6.821 2.882 8.223 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.555 0.541 8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.943 2.320 10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.628 2.349 10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.543 0.225 11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.728 -0.388 10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.680 1.050 11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.562 0.646 12.924 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.240 -1.634 11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.728 -1.013 11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.641 -2.720 13.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.610 -1.231 13.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.075 -1.832 13.304 1.00 0.00 H new ATOM 971 N ASN A 64 -10.674 1.965 9.102 1.00 0.00 N ATOM 972 CA ASN A 64 -11.932 2.637 8.823 1.00 0.00 C ATOM 973 C ASN A 64 -11.968 3.052 7.351 1.00 0.00 C ATOM 974 O ASN A 64 -11.528 4.146 7.000 1.00 0.00 O ATOM 975 CB ASN A 64 -12.082 3.900 9.675 1.00 0.00 C ATOM 976 CG ASN A 64 -13.515 4.046 10.190 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.203 3.079 10.470 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.924 5.307 10.299 1.00 0.00 N ATOM 0 H ASN A 64 -10.751 1.151 9.712 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.743 1.946 9.056 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.391 3.859 10.517 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.813 4.776 9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.866 5.511 10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.296 6.070 10.047 1.00 0.00 H new ATOM 985 N LEU A 65 -12.496 2.157 6.530 1.00 0.00 N ATOM 986 CA LEU A 65 -12.595 2.417 5.104 1.00 0.00 C ATOM 987 C LEU A 65 -14.035 2.176 4.645 1.00 0.00 C ATOM 988 O LEU A 65 -14.977 2.679 5.254 1.00 0.00 O ATOM 989 CB LEU A 65 -11.559 1.594 4.336 1.00 0.00 C ATOM 990 CG LEU A 65 -11.243 2.069 2.916 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.928 3.405 2.620 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.732 2.136 2.683 1.00 0.00 C ATOM 0 H LEU A 65 -12.860 1.251 6.825 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.362 3.460 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.632 1.587 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.910 0.563 4.283 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.645 1.338 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.687 3.720 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.007 3.290 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.578 4.158 3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.535 2.476 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.285 2.833 3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.298 1.146 2.825 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.159 1.406 3.573 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.468 1.092 3.026 1.00 0.00 C ATOM 1006 C ASN A 66 -16.142 0.034 3.901 1.00 0.00 C ATOM 1007 O ASN A 66 -16.278 -1.119 3.494 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.351 0.529 1.608 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.529 0.977 0.741 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -17.447 0.225 0.459 1.00 0.00 O ATOM 1011 ND2 ASN A 66 -16.452 2.242 0.335 1.00 0.00 N ATOM 0 H ASN A 66 -13.375 0.991 3.069 1.00 0.00 H new ATOM 0 HA ASN A 66 -16.053 2.011 3.002 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.416 0.861 1.157 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.317 -0.560 1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.190 2.636 -0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.655 2.817 0.607 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.547 0.464 5.087 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.204 -0.433 6.024 1.00 0.00 C ATOM 1020 C GLY A 67 -16.247 -1.529 6.496 1.00 0.00 C ATOM 1021 O GLY A 67 -16.683 -2.578 6.969 1.00 0.00 O ATOM 0 H GLY A 67 -16.433 1.421 5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.566 0.133 6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.075 -0.885 5.550 1.00 0.00 H new ATOM 1025 N LYS A 68 -14.960 -1.249 6.352 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.937 -2.199 6.758 1.00 0.00 C ATOM 1027 C LYS A 68 -12.574 -1.504 6.761 1.00 0.00 C ATOM 1028 O LYS A 68 -12.492 -0.290 6.579 1.00 0.00 O ATOM 1029 CB LYS A 68 -13.988 -3.450 5.878 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.558 -3.125 4.496 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.793 -3.870 3.399 1.00 0.00 C ATOM 1032 CE LYS A 68 -14.209 -5.341 3.344 1.00 0.00 C ATOM 1033 NZ LYS A 68 -13.907 -6.014 4.627 1.00 0.00 N ATOM 0 H LYS A 68 -14.602 -0.378 5.960 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.121 -2.545 7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.986 -3.867 5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.602 -4.212 6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.612 -3.399 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.502 -2.051 4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.982 -3.399 2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.721 -3.798 3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.275 -5.416 3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.685 -5.843 2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.669 -7.011 4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.101 -5.543 5.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.738 -5.962 5.250 1.00 0.00 H new ATOM 1047 N SER A 69 -11.539 -2.304 6.969 1.00 0.00 N ATOM 1048 CA SER A 69 -10.183 -1.780 6.998 1.00 0.00 C ATOM 1049 C SER A 69 -9.289 -2.592 6.059 1.00 0.00 C ATOM 1050 O SER A 69 -9.591 -3.744 5.749 1.00 0.00 O ATOM 1051 CB SER A 69 -9.616 -1.799 8.418 1.00 0.00 C ATOM 1052 OG SER A 69 -10.285 -0.875 9.272 1.00 0.00 O ATOM 0 H SER A 69 -11.611 -3.310 7.119 1.00 0.00 H new ATOM 0 HA SER A 69 -10.209 -0.744 6.660 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.705 -2.804 8.831 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.553 -1.560 8.387 1.00 0.00 H new ATOM 0 HG SER A 69 -9.895 -0.918 10.170 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.206 -1.960 5.631 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.266 -2.609 4.733 1.00 0.00 C ATOM 1060 C TYR A 70 -5.826 -2.414 5.213 1.00 0.00 C ATOM 1061 O TYR A 70 -5.510 -1.408 5.847 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.436 -1.924 3.376 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.795 -2.175 2.719 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -9.937 -1.624 3.262 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -8.878 -2.953 1.582 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.216 -1.861 2.643 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.156 -3.190 0.963 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.262 -2.632 1.524 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.470 -2.855 0.940 1.00 0.00 O ATOM 0 H TYR A 70 -7.959 -1.005 5.890 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.458 -3.681 4.686 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.298 -0.850 3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.650 -2.270 2.705 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.872 -1.015 4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.984 -3.384 1.156 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.118 -1.436 3.058 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.235 -3.797 0.073 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.351 -3.421 0.149 1.00 0.00 H new ATOM 1079 N SER A 71 -4.991 -3.391 4.891 1.00 0.00 N ATOM 1080 CA SER A 71 -3.592 -3.339 5.280 1.00 0.00 C ATOM 1081 C SER A 71 -2.706 -3.749 4.103 1.00 0.00 C ATOM 1082 O SER A 71 -3.066 -4.633 3.328 1.00 0.00 O ATOM 1083 CB SER A 71 -3.323 -4.241 6.487 1.00 0.00 C ATOM 1084 OG SER A 71 -3.733 -5.585 6.251 1.00 0.00 O ATOM 0 H SER A 71 -5.257 -4.224 4.365 1.00 0.00 H new ATOM 0 HA SER A 71 -3.354 -2.314 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.259 -4.223 6.723 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.849 -3.849 7.357 1.00 0.00 H new ATOM 0 HG SER A 71 -4.561 -5.587 5.727 1.00 0.00 H new ATOM 1090 N MET A 72 -1.562 -3.086 4.006 1.00 0.00 N ATOM 1091 CA MET A 72 -0.621 -3.370 2.936 1.00 0.00 C ATOM 1092 C MET A 72 0.810 -3.039 3.362 1.00 0.00 C ATOM 1093 O MET A 72 1.115 -1.892 3.687 1.00 0.00 O ATOM 1094 CB MET A 72 -0.990 -2.547 1.700 1.00 0.00 C ATOM 1095 CG MET A 72 0.167 -2.514 0.699 1.00 0.00 C ATOM 1096 SD MET A 72 -0.445 -2.102 -0.927 1.00 0.00 S ATOM 1097 CE MET A 72 0.152 -3.510 -1.848 1.00 0.00 C ATOM 0 H MET A 72 -1.266 -2.353 4.651 1.00 0.00 H new ATOM 0 HA MET A 72 -0.674 -4.434 2.704 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.874 -2.973 1.226 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.247 -1.531 1.999 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.910 -1.781 1.013 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.665 -3.483 0.674 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.499 -3.183 -2.828 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.977 -3.975 -1.308 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.654 -4.233 -1.971 1.00 0.00 H new ATOM 1107 N ILE A 73 1.650 -4.063 3.348 1.00 0.00 N ATOM 1108 CA ILE A 73 3.042 -3.895 3.729 1.00 0.00 C ATOM 1109 C ILE A 73 3.934 -4.626 2.723 1.00 0.00 C ATOM 1110 O ILE A 73 3.560 -5.678 2.206 1.00 0.00 O ATOM 1111 CB ILE A 73 3.258 -4.337 5.178 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.507 -3.423 6.148 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.750 -4.422 5.508 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.966 -3.657 7.588 1.00 0.00 C ATOM 0 H ILE A 73 1.393 -5.013 3.079 1.00 0.00 H new ATOM 0 HA ILE A 73 3.321 -2.842 3.696 1.00 0.00 H new ATOM 0 HB ILE A 73 2.845 -5.339 5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.673 -2.381 5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.435 -3.606 6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.876 -4.738 6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.228 -5.145 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.210 -3.444 5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.417 -2.995 8.257 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.776 -4.694 7.867 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.033 -3.450 7.668 1.00 0.00 H new ATOM 1126 N VAL A 74 5.096 -4.040 2.476 1.00 0.00 N ATOM 1127 CA VAL A 74 6.044 -4.623 1.541 1.00 0.00 C ATOM 1128 C VAL A 74 7.414 -4.735 2.214 1.00 0.00 C ATOM 1129 O VAL A 74 7.980 -3.732 2.647 1.00 0.00 O ATOM 1130 CB VAL A 74 6.077 -3.803 0.250 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.753 -3.069 0.033 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.253 -2.824 0.252 1.00 0.00 C ATOM 0 H VAL A 74 5.403 -3.168 2.907 1.00 0.00 H new ATOM 0 HA VAL A 74 5.736 -5.631 1.262 1.00 0.00 H new ATOM 0 HB VAL A 74 6.217 -4.493 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.803 -2.494 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.942 -3.794 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.569 -2.395 0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.253 -2.254 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.157 -2.142 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.188 -3.378 0.338 1.00 0.00 H new ATOM 1142 N ASN A 75 7.906 -5.963 2.281 1.00 0.00 N ATOM 1143 CA ASN A 75 9.199 -6.218 2.893 1.00 0.00 C ATOM 1144 C ASN A 75 10.165 -6.750 1.833 1.00 0.00 C ATOM 1145 O ASN A 75 9.856 -7.715 1.134 1.00 0.00 O ATOM 1146 CB ASN A 75 9.086 -7.269 4.000 1.00 0.00 C ATOM 1147 CG ASN A 75 8.754 -6.617 5.343 1.00 0.00 C ATOM 1148 OD1 ASN A 75 9.593 -6.023 5.999 1.00 0.00 O ATOM 1149 ND2 ASN A 75 7.485 -6.761 5.715 1.00 0.00 N ATOM 0 H ASN A 75 7.433 -6.792 1.922 1.00 0.00 H new ATOM 0 HA ASN A 75 9.561 -5.282 3.319 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.313 -7.992 3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.023 -7.819 4.081 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.164 -6.362 6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.833 -7.271 5.118 1.00 0.00 H new ATOM 1156 N ASN A 76 11.315 -6.099 1.746 1.00 0.00 N ATOM 1157 CA ASN A 76 12.328 -6.495 0.782 1.00 0.00 C ATOM 1158 C ASN A 76 12.008 -5.865 -0.575 1.00 0.00 C ATOM 1159 O ASN A 76 11.181 -6.383 -1.324 1.00 0.00 O ATOM 1160 CB ASN A 76 12.356 -8.014 0.604 1.00 0.00 C ATOM 1161 CG ASN A 76 12.137 -8.727 1.940 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.500 -8.241 2.999 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.526 -9.903 1.832 1.00 0.00 N ATOM 0 H ASN A 76 11.568 -5.300 2.327 1.00 0.00 H new ATOM 0 HA ASN A 76 13.296 -6.158 1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.584 -8.315 -0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.313 -8.316 0.179 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.335 -10.457 2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.249 -10.251 0.914 1.00 0.00 H new ATOM 1170 N LEU A 77 12.681 -4.757 -0.851 1.00 0.00 N ATOM 1171 CA LEU A 77 12.478 -4.052 -2.105 1.00 0.00 C ATOM 1172 C LEU A 77 13.698 -4.261 -3.005 1.00 0.00 C ATOM 1173 O LEU A 77 14.835 -4.140 -2.554 1.00 0.00 O ATOM 1174 CB LEU A 77 12.151 -2.580 -1.845 1.00 0.00 C ATOM 1175 CG LEU A 77 10.819 -2.303 -1.144 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.743 -0.852 -0.666 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.639 -2.673 -2.044 1.00 0.00 C ATOM 0 H LEU A 77 13.367 -4.331 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 77 11.616 -4.457 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.952 -2.151 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.153 -2.054 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 77 10.760 -2.937 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.787 -0.681 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.554 -0.657 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.834 -0.182 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.705 -2.467 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.681 -2.083 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.689 -3.733 -2.292 1.00 0.00 H new ATOM 1189 N LEU A 78 13.419 -4.572 -4.263 1.00 0.00 N ATOM 1190 CA LEU A 78 14.479 -4.798 -5.230 1.00 0.00 C ATOM 1191 C LEU A 78 15.615 -3.805 -4.978 1.00 0.00 C ATOM 1192 O LEU A 78 16.781 -4.192 -4.920 1.00 0.00 O ATOM 1193 CB LEU A 78 13.923 -4.749 -6.655 1.00 0.00 C ATOM 1194 CG LEU A 78 14.595 -5.677 -7.670 1.00 0.00 C ATOM 1195 CD1 LEU A 78 14.256 -7.141 -7.382 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.236 -5.275 -9.102 1.00 0.00 C ATOM 0 H LEU A 78 12.474 -4.673 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 78 14.898 -5.797 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.861 -4.992 -6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 78 14.003 -3.725 -7.020 1.00 0.00 H new ATOM 0 HG LEU A 78 15.675 -5.571 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.746 -7.779 -8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.604 -7.405 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.177 -7.283 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.726 -5.950 -9.803 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.156 -5.334 -9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.570 -4.254 -9.288 1.00 0.00 H new ATOM 1208 N LYS A 79 15.235 -2.544 -4.836 1.00 0.00 N ATOM 1209 CA LYS A 79 16.207 -1.492 -4.592 1.00 0.00 C ATOM 1210 C LYS A 79 15.779 -0.683 -3.366 1.00 0.00 C ATOM 1211 O LYS A 79 14.599 -0.651 -3.019 1.00 0.00 O ATOM 1212 CB LYS A 79 16.406 -0.644 -5.850 1.00 0.00 C ATOM 1213 CG LYS A 79 16.640 -1.528 -7.076 1.00 0.00 C ATOM 1214 CD LYS A 79 18.135 -1.675 -7.369 1.00 0.00 C ATOM 1215 CE LYS A 79 18.385 -2.768 -8.411 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.785 -3.241 -8.339 1.00 0.00 N ATOM 0 H LYS A 79 14.267 -2.227 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 79 17.184 -1.920 -4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.530 -0.016 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.256 0.024 -5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.200 -2.511 -6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.137 -1.096 -7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.534 -0.726 -7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.668 -1.916 -6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.704 -3.602 -8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.176 -2.382 -9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.938 -3.982 -9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.430 -2.446 -8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.972 -3.628 -7.392 1.00 0.00 H new ATOM 1230 N PRO A 80 16.787 -0.032 -2.727 1.00 0.00 N ATOM 1231 CA PRO A 80 16.528 0.775 -1.547 1.00 0.00 C ATOM 1232 C PRO A 80 15.864 2.101 -1.925 1.00 0.00 C ATOM 1233 O PRO A 80 15.783 2.446 -3.103 1.00 0.00 O ATOM 1234 CB PRO A 80 17.885 0.957 -0.887 1.00 0.00 C ATOM 1235 CG PRO A 80 18.915 0.643 -1.960 1.00 0.00 C ATOM 1236 CD PRO A 80 18.196 -0.047 -3.109 1.00 0.00 C ATOM 0 HA PRO A 80 15.827 0.301 -0.860 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.005 1.975 -0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 80 17.996 0.290 -0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.397 1.557 -2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.699 0.001 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.357 0.479 -4.050 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.558 -1.066 -3.248 1.00 0.00 H new ATOM 1244 N ILE A 81 15.407 2.810 -0.903 1.00 0.00 N ATOM 1245 CA ILE A 81 14.753 4.090 -1.113 1.00 0.00 C ATOM 1246 C ILE A 81 15.001 4.989 0.100 1.00 0.00 C ATOM 1247 O ILE A 81 15.113 4.504 1.225 1.00 0.00 O ATOM 1248 CB ILE A 81 13.272 3.889 -1.437 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.625 2.907 -0.458 1.00 0.00 C ATOM 1250 CG2 ILE A 81 13.083 3.456 -2.892 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.601 3.615 0.432 1.00 0.00 C ATOM 0 H ILE A 81 15.477 2.522 0.073 1.00 0.00 H new ATOM 0 HA ILE A 81 15.178 4.597 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 81 12.763 4.845 -1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.138 2.104 -1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.394 2.446 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 81 12.021 3.320 -3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.485 4.222 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.609 2.517 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.156 2.895 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.096 4.401 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.821 4.054 -0.190 1.00 0.00 H new ATOM 1263 N SER A 82 15.079 6.284 -0.169 1.00 0.00 N ATOM 1264 CA SER A 82 15.311 7.256 0.886 1.00 0.00 C ATOM 1265 C SER A 82 14.069 7.372 1.773 1.00 0.00 C ATOM 1266 O SER A 82 13.027 7.849 1.327 1.00 0.00 O ATOM 1267 CB SER A 82 15.679 8.623 0.306 1.00 0.00 C ATOM 1268 OG SER A 82 17.078 8.878 0.388 1.00 0.00 O ATOM 0 H SER A 82 14.986 6.683 -1.103 1.00 0.00 H new ATOM 0 HA SER A 82 16.150 6.911 1.490 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.362 8.672 -0.736 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.136 9.402 0.841 1.00 0.00 H new ATOM 0 HG SER A 82 17.273 9.759 0.006 1.00 0.00 H new ATOM 1274 N VAL A 83 14.222 6.928 3.012 1.00 0.00 N ATOM 1275 CA VAL A 83 13.126 6.977 3.964 1.00 0.00 C ATOM 1276 C VAL A 83 12.635 8.420 4.097 1.00 0.00 C ATOM 1277 O VAL A 83 11.535 8.748 3.656 1.00 0.00 O ATOM 1278 CB VAL A 83 13.565 6.370 5.298 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.587 6.738 6.416 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.721 4.852 5.184 1.00 0.00 C ATOM 0 H VAL A 83 15.088 6.533 3.378 1.00 0.00 H new ATOM 0 HA VAL A 83 12.286 6.379 3.610 1.00 0.00 H new ATOM 0 HB VAL A 83 14.538 6.789 5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.922 6.294 7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.547 7.822 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.595 6.360 6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.034 4.445 6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.768 4.409 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.473 4.619 4.430 1.00 0.00 H new ATOM 1290 N GLU A 84 13.475 9.243 4.707 1.00 0.00 N ATOM 1291 CA GLU A 84 13.140 10.644 4.904 1.00 0.00 C ATOM 1292 C GLU A 84 12.827 11.308 3.561 1.00 0.00 C ATOM 1293 O GLU A 84 12.241 12.389 3.521 1.00 0.00 O ATOM 1294 CB GLU A 84 14.267 11.380 5.630 1.00 0.00 C ATOM 1295 CG GLU A 84 14.231 11.093 7.133 1.00 0.00 C ATOM 1296 CD GLU A 84 14.939 12.198 7.919 1.00 0.00 C ATOM 1297 OE1 GLU A 84 16.174 12.083 8.072 1.00 0.00 O ATOM 1298 OE2 GLU A 84 14.229 13.132 8.350 1.00 0.00 O ATOM 0 H GLU A 84 14.387 8.967 5.071 1.00 0.00 H new ATOM 0 HA GLU A 84 12.251 10.701 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.229 11.073 5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.175 12.453 5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.197 11.010 7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.709 10.134 7.335 1.00 0.00 H new ATOM 1305 N GLY A 85 13.231 10.634 2.495 1.00 0.00 N ATOM 1306 CA GLY A 85 13.001 11.145 1.155 1.00 0.00 C ATOM 1307 C GLY A 85 11.684 10.615 0.584 1.00 0.00 C ATOM 1308 O GLY A 85 11.148 11.173 -0.371 1.00 0.00 O ATOM 0 H GLY A 85 13.717 9.738 2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.980 12.235 1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.826 10.855 0.505 1.00 0.00 H new ATOM 1312 N SER A 86 11.201 9.542 1.194 1.00 0.00 N ATOM 1313 CA SER A 86 9.958 8.930 0.759 1.00 0.00 C ATOM 1314 C SER A 86 8.769 9.782 1.209 1.00 0.00 C ATOM 1315 O SER A 86 8.929 10.701 2.011 1.00 0.00 O ATOM 1316 CB SER A 86 9.825 7.505 1.301 1.00 0.00 C ATOM 1317 OG SER A 86 10.966 6.709 0.993 1.00 0.00 O ATOM 0 H SER A 86 11.649 9.081 1.986 1.00 0.00 H new ATOM 0 HA SER A 86 9.967 8.876 -0.330 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.688 7.539 2.382 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.934 7.039 0.881 1.00 0.00 H new ATOM 0 HG SER A 86 11.756 7.086 1.433 1.00 0.00 H new ATOM 1323 N SER A 87 7.605 9.446 0.675 1.00 0.00 N ATOM 1324 CA SER A 87 6.390 10.169 1.012 1.00 0.00 C ATOM 1325 C SER A 87 5.164 9.327 0.653 1.00 0.00 C ATOM 1326 O SER A 87 5.248 8.424 -0.178 1.00 0.00 O ATOM 1327 CB SER A 87 6.336 11.519 0.295 1.00 0.00 C ATOM 1328 OG SER A 87 7.632 12.087 0.126 1.00 0.00 O ATOM 0 H SER A 87 7.477 8.682 0.011 1.00 0.00 H new ATOM 0 HA SER A 87 6.391 10.359 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.866 11.393 -0.680 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.710 12.207 0.864 1.00 0.00 H new ATOM 0 HG SER A 87 8.142 11.990 0.957 1.00 0.00 H new ATOM 1334 N LYS A 88 4.053 9.654 1.296 1.00 0.00 N ATOM 1335 CA LYS A 88 2.810 8.940 1.055 1.00 0.00 C ATOM 1336 C LYS A 88 1.796 9.890 0.417 1.00 0.00 C ATOM 1337 O LYS A 88 1.721 11.062 0.784 1.00 0.00 O ATOM 1338 CB LYS A 88 2.311 8.283 2.343 1.00 0.00 C ATOM 1339 CG LYS A 88 0.834 7.901 2.228 1.00 0.00 C ATOM 1340 CD LYS A 88 -0.028 8.762 3.153 1.00 0.00 C ATOM 1341 CE LYS A 88 -1.235 7.975 3.668 1.00 0.00 C ATOM 1342 NZ LYS A 88 -2.429 8.846 3.740 1.00 0.00 N ATOM 0 H LYS A 88 3.987 10.404 1.984 1.00 0.00 H new ATOM 0 HA LYS A 88 2.970 8.124 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.905 7.394 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.449 8.966 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.502 8.024 1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.706 6.849 2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.571 9.109 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.369 9.648 2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.433 7.130 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.016 7.566 4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.233 8.371 3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.661 9.036 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.234 9.744 3.253 1.00 0.00 H new ATOM 1356 N LYS A 89 1.040 9.351 -0.528 1.00 0.00 N ATOM 1357 CA LYS A 89 0.033 10.137 -1.221 1.00 0.00 C ATOM 1358 C LYS A 89 -1.245 9.308 -1.363 1.00 0.00 C ATOM 1359 O LYS A 89 -1.204 8.080 -1.298 1.00 0.00 O ATOM 1360 CB LYS A 89 0.581 10.656 -2.552 1.00 0.00 C ATOM 1361 CG LYS A 89 1.177 12.056 -2.391 1.00 0.00 C ATOM 1362 CD LYS A 89 0.549 13.036 -3.385 1.00 0.00 C ATOM 1363 CE LYS A 89 1.008 12.737 -4.813 1.00 0.00 C ATOM 1364 NZ LYS A 89 0.242 13.551 -5.784 1.00 0.00 N ATOM 0 H LYS A 89 1.105 8.379 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.224 11.024 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.344 9.973 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.217 10.680 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.014 12.410 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.255 12.016 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.538 12.972 -3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.823 14.057 -3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.073 12.949 -4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.873 11.678 -5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.566 13.336 -6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.771 13.329 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.392 14.561 -5.585 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.351 10.013 -1.555 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.639 9.358 -1.707 1.00 0.00 C ATOM 1380 C VAL A 90 -4.397 9.998 -2.871 1.00 0.00 C ATOM 1381 O VAL A 90 -4.384 11.218 -3.029 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.412 9.411 -0.388 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.879 9.032 -0.597 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.759 8.516 0.667 1.00 0.00 C ATOM 0 H VAL A 90 -2.381 11.031 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.505 8.303 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.380 10.437 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.406 9.078 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.338 9.728 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.940 8.020 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.328 8.572 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.745 7.486 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.738 8.852 0.847 1.00 0.00 H new ATOM 1394 N LYS A 91 -5.041 9.147 -3.657 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.803 9.614 -4.801 1.00 0.00 C ATOM 1396 C LYS A 91 -7.281 9.271 -4.599 1.00 0.00 C ATOM 1397 O LYS A 91 -7.692 8.909 -3.498 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.215 9.059 -6.100 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.188 7.962 -5.812 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.577 7.429 -7.109 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.740 8.505 -7.804 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.450 9.025 -8.994 1.00 0.00 N ATOM 0 H LYS A 91 -5.050 8.136 -3.523 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.736 10.699 -4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.015 8.659 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.744 9.864 -6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.400 8.356 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.665 7.146 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.953 6.562 -6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.370 7.092 -7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.536 9.320 -7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.777 8.090 -8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.944 9.854 -9.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.488 8.287 -9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.417 9.300 -8.729 1.00 0.00 H new ATOM 1416 N THR A 92 -8.038 9.397 -5.679 1.00 0.00 N ATOM 1417 CA THR A 92 -9.460 9.105 -5.634 1.00 0.00 C ATOM 1418 C THR A 92 -9.693 7.593 -5.593 1.00 0.00 C ATOM 1419 O THR A 92 -9.497 6.904 -6.593 1.00 0.00 O ATOM 1420 CB THR A 92 -10.122 9.789 -6.832 1.00 0.00 C ATOM 1421 OG1 THR A 92 -9.963 11.180 -6.569 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.638 9.586 -6.858 1.00 0.00 C ATOM 0 H THR A 92 -7.693 9.697 -6.591 1.00 0.00 H new ATOM 0 HA THR A 92 -9.915 9.498 -4.725 1.00 0.00 H new ATOM 0 HB THR A 92 -9.688 9.404 -7.755 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.363 11.699 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.058 10.091 -7.728 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.862 8.521 -6.914 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.076 10.001 -5.950 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.108 7.122 -4.426 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.369 5.705 -4.241 1.00 0.00 C ATOM 1432 C ASP A 93 -9.090 4.914 -4.522 1.00 0.00 C ATOM 1433 O ASP A 93 -9.149 3.762 -4.948 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.450 5.214 -5.206 1.00 0.00 C ATOM 1435 CG ASP A 93 -12.876 5.635 -4.848 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -13.076 6.024 -3.677 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -13.735 5.560 -5.754 1.00 0.00 O ATOM 0 H ASP A 93 -10.270 7.697 -3.599 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.706 5.555 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.218 5.583 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.409 4.126 -5.250 1.00 0.00 H new ATOM 1442 N THR A 94 -7.963 5.564 -4.272 1.00 0.00 N ATOM 1443 CA THR A 94 -6.672 4.936 -4.492 1.00 0.00 C ATOM 1444 C THR A 94 -5.620 5.536 -3.556 1.00 0.00 C ATOM 1445 O THR A 94 -5.604 6.744 -3.328 1.00 0.00 O ATOM 1446 CB THR A 94 -6.321 5.084 -5.974 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.183 4.157 -6.629 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.914 4.576 -6.296 1.00 0.00 C ATOM 0 H THR A 94 -7.917 6.520 -3.919 1.00 0.00 H new ATOM 0 HA THR A 94 -6.704 3.873 -4.255 1.00 0.00 H new ATOM 0 HB THR A 94 -6.404 6.132 -6.264 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.711 3.672 -5.960 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.716 4.704 -7.360 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.182 5.142 -5.720 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.841 3.520 -6.038 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.768 4.663 -3.039 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.716 5.091 -2.133 1.00 0.00 C ATOM 1458 C VAL A 95 -2.375 5.076 -2.872 1.00 0.00 C ATOM 1459 O VAL A 95 -2.019 4.079 -3.499 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.717 4.215 -0.879 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.530 2.740 -1.240 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.648 4.677 0.113 1.00 0.00 C ATOM 0 H VAL A 95 -4.785 3.661 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.892 6.114 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.689 4.321 -0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.534 2.139 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.343 2.419 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.579 2.610 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.670 4.038 0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.666 4.615 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.846 5.708 0.407 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.669 6.192 -2.773 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.376 6.320 -3.423 1.00 0.00 C ATOM 1474 C LEU A 96 0.732 6.079 -2.397 1.00 0.00 C ATOM 1475 O LEU A 96 0.585 6.425 -1.225 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.268 7.667 -4.140 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.455 7.636 -5.658 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.054 8.928 -6.300 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.203 6.396 -6.266 1.00 0.00 C ATOM 0 H LEU A 96 -1.968 7.016 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.263 5.562 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.011 8.342 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.711 8.094 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.522 7.571 -5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.091 8.880 -7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.499 9.777 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.115 9.049 -6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.055 6.398 -7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.270 6.406 -6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.247 5.499 -5.840 1.00 0.00 H new ATOM 1491 N ILE A 97 1.818 5.487 -2.873 1.00 0.00 N ATOM 1492 CA ILE A 97 2.951 5.195 -2.011 1.00 0.00 C ATOM 1493 C ILE A 97 4.249 5.493 -2.764 1.00 0.00 C ATOM 1494 O ILE A 97 4.791 4.623 -3.444 1.00 0.00 O ATOM 1495 CB ILE A 97 2.864 3.763 -1.479 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.494 3.493 -0.853 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.007 3.471 -0.504 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.332 4.256 0.463 1.00 0.00 C ATOM 0 H ILE A 97 1.937 5.202 -3.845 1.00 0.00 H new ATOM 0 HA ILE A 97 2.937 5.839 -1.132 1.00 0.00 H new ATOM 0 HB ILE A 97 2.974 3.078 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.708 3.789 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.376 2.424 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.922 2.447 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.962 3.597 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.952 4.161 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.350 4.046 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.105 3.940 1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.426 5.326 0.277 1.00 0.00 H new ATOM 1510 N LEU A 98 4.710 6.727 -2.618 1.00 0.00 N ATOM 1511 CA LEU A 98 5.934 7.151 -3.276 1.00 0.00 C ATOM 1512 C LEU A 98 7.137 6.581 -2.521 1.00 0.00 C ATOM 1513 O LEU A 98 7.191 6.645 -1.294 1.00 0.00 O ATOM 1514 CB LEU A 98 5.964 8.673 -3.422 1.00 0.00 C ATOM 1515 CG LEU A 98 4.805 9.295 -4.204 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.220 10.495 -3.456 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.236 9.661 -5.626 1.00 0.00 C ATOM 0 H LEU A 98 4.258 7.446 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 98 5.978 6.756 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.981 9.113 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.897 8.953 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 98 4.013 8.551 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.398 10.918 -4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.851 10.172 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.994 11.250 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.394 10.101 -6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.055 10.380 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.567 8.763 -6.148 1.00 0.00 H new ATOM 1529 N CYS A 99 8.072 6.038 -3.287 1.00 0.00 N ATOM 1530 CA CYS A 99 9.271 5.458 -2.705 1.00 0.00 C ATOM 1531 C CYS A 99 10.484 6.216 -3.249 1.00 0.00 C ATOM 1532 O CYS A 99 10.869 6.032 -4.402 1.00 0.00 O ATOM 1533 CB CYS A 99 9.365 3.956 -2.984 1.00 0.00 C ATOM 1534 SG CYS A 99 8.020 3.073 -2.113 1.00 0.00 S ATOM 0 H CYS A 99 8.024 5.987 -4.305 1.00 0.00 H new ATOM 0 HA CYS A 99 9.237 5.559 -1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 99 9.297 3.772 -4.056 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.333 3.577 -2.656 1.00 0.00 H new ATOM 0 HG CYS A 99 8.107 1.799 -2.358 1.00 0.00 H new ATOM 1540 N ARG A 100 11.051 7.052 -2.392 1.00 0.00 N ATOM 1541 CA ARG A 100 12.212 7.839 -2.772 1.00 0.00 C ATOM 1542 C ARG A 100 13.351 6.922 -3.222 1.00 0.00 C ATOM 1543 O ARG A 100 14.013 6.296 -2.395 1.00 0.00 O ATOM 1544 CB ARG A 100 12.695 8.706 -1.607 1.00 0.00 C ATOM 1545 CG ARG A 100 13.146 10.083 -2.099 1.00 0.00 C ATOM 1546 CD ARG A 100 12.200 10.617 -3.176 1.00 0.00 C ATOM 1547 NE ARG A 100 10.798 10.308 -2.818 1.00 0.00 N ATOM 1548 CZ ARG A 100 9.734 10.721 -3.520 1.00 0.00 C ATOM 1549 NH1 ARG A 100 9.906 11.464 -4.622 1.00 0.00 N ATOM 1550 NH2 ARG A 100 8.498 10.393 -3.120 1.00 0.00 N ATOM 0 H ARG A 100 10.728 7.202 -1.436 1.00 0.00 H new ATOM 0 HA ARG A 100 11.917 8.489 -3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.893 8.821 -0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.521 8.209 -1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.179 10.780 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.158 10.017 -2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.328 11.694 -3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.444 10.171 -4.140 1.00 0.00 H new ATOM 0 HE ARG A 100 10.631 9.745 -1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.847 11.715 -4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.096 11.778 -5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.367 9.829 -2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.689 10.708 -3.655 1.00 0.00 H new ATOM 1564 N LYS A 101 13.544 6.870 -4.531 1.00 0.00 N ATOM 1565 CA LYS A 101 14.592 6.040 -5.101 1.00 0.00 C ATOM 1566 C LYS A 101 15.944 6.466 -4.526 1.00 0.00 C ATOM 1567 O LYS A 101 16.260 7.654 -4.490 1.00 0.00 O ATOM 1568 CB LYS A 101 14.534 6.078 -6.630 1.00 0.00 C ATOM 1569 CG LYS A 101 13.766 4.874 -7.180 1.00 0.00 C ATOM 1570 CD LYS A 101 14.350 4.417 -8.518 1.00 0.00 C ATOM 1571 CE LYS A 101 14.294 2.893 -8.648 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.437 2.502 -9.790 1.00 0.00 N ATOM 0 H LYS A 101 12.992 7.389 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 101 14.443 4.996 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.053 7.000 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.546 6.085 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.806 4.054 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.716 5.135 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.796 4.876 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.383 4.755 -8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.300 2.497 -8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.905 2.457 -7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.174 1.500 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.577 3.087 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.957 2.644 -10.679 1.00 0.00 H new ATOM 1585 N LYS A 102 16.706 5.473 -4.092 1.00 0.00 N ATOM 1586 CA LYS A 102 18.017 5.730 -3.520 1.00 0.00 C ATOM 1587 C LYS A 102 18.961 6.217 -4.621 1.00 0.00 C ATOM 1588 O LYS A 102 19.774 7.111 -4.395 1.00 0.00 O ATOM 1589 CB LYS A 102 18.527 4.496 -2.773 1.00 0.00 C ATOM 1590 CG LYS A 102 19.890 4.767 -2.134 1.00 0.00 C ATOM 1591 CD LYS A 102 20.044 3.996 -0.822 1.00 0.00 C ATOM 1592 CE LYS A 102 21.512 3.920 -0.399 1.00 0.00 C ATOM 1593 NZ LYS A 102 21.661 3.077 0.809 1.00 0.00 N ATOM 0 H LYS A 102 16.441 4.489 -4.125 1.00 0.00 H new ATOM 0 HA LYS A 102 17.959 6.523 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.810 4.211 -2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.605 3.655 -3.463 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.683 4.479 -2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 102 20.002 5.835 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.461 4.483 -0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.643 2.989 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 102 22.110 3.509 -1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 102 21.891 4.922 -0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 22.664 3.036 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 21.106 3.485 1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.318 2.116 0.606 1.00 0.00 H new ATOM 1607 N VAL A 103 18.823 5.605 -5.788 1.00 0.00 N ATOM 1608 CA VAL A 103 19.654 5.965 -6.925 1.00 0.00 C ATOM 1609 C VAL A 103 18.800 5.971 -8.194 1.00 0.00 C ATOM 1610 O VAL A 103 18.247 4.942 -8.579 1.00 0.00 O ATOM 1611 CB VAL A 103 20.854 5.020 -7.016 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.651 3.790 -6.128 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.121 4.612 -8.466 1.00 0.00 C ATOM 0 H VAL A 103 18.148 4.862 -5.971 1.00 0.00 H new ATOM 0 HA VAL A 103 20.057 6.970 -6.800 1.00 0.00 H new ATOM 0 HB VAL A 103 21.731 5.555 -6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.518 3.134 -6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.532 4.105 -5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.758 3.253 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 103 21.979 3.940 -8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 103 20.245 4.104 -8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.330 5.501 -9.061 1.00 0.00 H new ATOM 1623 N GLU A 104 18.719 7.142 -8.809 1.00 0.00 N ATOM 1624 CA GLU A 104 17.942 7.295 -10.027 1.00 0.00 C ATOM 1625 C GLU A 104 18.540 6.444 -11.149 1.00 0.00 C ATOM 1626 O GLU A 104 19.648 5.927 -11.018 1.00 0.00 O ATOM 1627 CB GLU A 104 17.857 8.766 -10.442 1.00 0.00 C ATOM 1628 CG GLU A 104 17.385 9.637 -9.276 1.00 0.00 C ATOM 1629 CD GLU A 104 18.573 10.270 -8.548 1.00 0.00 C ATOM 1630 OE1 GLU A 104 19.410 10.877 -9.250 1.00 0.00 O ATOM 1631 OE2 GLU A 104 18.616 10.133 -7.307 1.00 0.00 O ATOM 0 H GLU A 104 19.179 7.993 -8.486 1.00 0.00 H new ATOM 0 HA GLU A 104 16.928 6.946 -9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.834 9.108 -10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.170 8.872 -11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.722 10.419 -9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.806 9.033 -8.578 1.00 0.00 H new ATOM 1638 N ASN A 105 17.778 6.323 -12.227 1.00 0.00 N ATOM 1639 CA ASN A 105 18.219 5.543 -13.371 1.00 0.00 C ATOM 1640 C ASN A 105 18.397 4.083 -12.948 1.00 0.00 C ATOM 1641 O ASN A 105 19.457 3.496 -13.162 1.00 0.00 O ATOM 1642 CB ASN A 105 19.562 6.050 -13.899 1.00 0.00 C ATOM 1643 CG ASN A 105 19.449 7.495 -14.389 1.00 0.00 C ATOM 1644 OD1 ASN A 105 18.627 7.831 -15.225 1.00 0.00 O ATOM 1645 ND2 ASN A 105 20.317 8.327 -13.823 1.00 0.00 N ATOM 0 H ASN A 105 16.859 6.752 -12.332 1.00 0.00 H new ATOM 0 HA ASN A 105 17.466 5.636 -14.154 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.313 5.987 -13.112 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.901 5.411 -14.715 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.321 9.313 -14.082 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.979 7.979 -13.129 1.00 0.00 H new ATOM 1652 N THR A 106 17.344 3.538 -12.357 1.00 0.00 N ATOM 1653 CA THR A 106 17.371 2.158 -11.902 1.00 0.00 C ATOM 1654 C THR A 106 16.040 1.470 -12.210 1.00 0.00 C ATOM 1655 O THR A 106 14.978 1.977 -11.855 1.00 0.00 O ATOM 1656 CB THR A 106 17.726 2.157 -10.414 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.124 2.432 -10.391 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.609 0.767 -9.785 1.00 0.00 C ATOM 0 H THR A 106 16.466 4.027 -12.183 1.00 0.00 H new ATOM 0 HA THR A 106 18.130 1.581 -12.431 1.00 0.00 H new ATOM 0 HB THR A 106 17.073 2.851 -9.884 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.500 2.144 -9.533 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.872 0.822 -8.729 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.585 0.407 -9.886 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.287 0.080 -10.292 1.00 0.00 H new ATOM 1666 N ARG A 107 16.142 0.324 -12.868 1.00 0.00 N ATOM 1667 CA ARG A 107 14.959 -0.440 -13.227 1.00 0.00 C ATOM 1668 C ARG A 107 14.623 -1.447 -12.126 1.00 0.00 C ATOM 1669 O ARG A 107 15.516 -1.954 -11.449 1.00 0.00 O ATOM 1670 CB ARG A 107 15.166 -1.187 -14.547 1.00 0.00 C ATOM 1671 CG ARG A 107 13.825 -1.552 -15.186 1.00 0.00 C ATOM 1672 CD ARG A 107 14.028 -2.424 -16.427 1.00 0.00 C ATOM 1673 NE ARG A 107 13.420 -1.772 -17.608 1.00 0.00 N ATOM 1674 CZ ARG A 107 13.044 -2.426 -18.716 1.00 0.00 C ATOM 1675 NH1 ARG A 107 13.212 -3.753 -18.801 1.00 0.00 N ATOM 1676 NH2 ARG A 107 12.500 -1.753 -19.739 1.00 0.00 N ATOM 0 H ARG A 107 17.025 -0.094 -13.162 1.00 0.00 H new ATOM 0 HA ARG A 107 14.134 0.262 -13.345 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.743 -0.567 -15.233 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.747 -2.092 -14.370 1.00 0.00 H new ATOM 0 HG2 ARG A 107 13.206 -2.082 -14.462 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.289 -0.643 -15.460 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.092 -2.586 -16.598 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.578 -3.404 -16.270 1.00 0.00 H new ATOM 0 HE ARG A 107 13.278 -0.762 -17.577 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.626 -4.266 -18.022 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.926 -4.250 -19.644 1.00 0.00 H new ATOM 0 HH21 ARG A 107 12.372 -0.743 -19.675 1.00 0.00 H new ATOM 0 HH22 ARG A 107 12.214 -2.251 -20.582 1.00 0.00 H new ATOM 1690 N TRP A 108 13.332 -1.708 -11.981 1.00 0.00 N ATOM 1691 CA TRP A 108 12.867 -2.646 -10.974 1.00 0.00 C ATOM 1692 C TRP A 108 12.186 -3.813 -11.692 1.00 0.00 C ATOM 1693 O TRP A 108 11.049 -3.688 -12.147 1.00 0.00 O ATOM 1694 CB TRP A 108 11.954 -1.954 -9.960 1.00 0.00 C ATOM 1695 CG TRP A 108 12.702 -1.126 -8.913 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.853 -0.456 -9.060 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.300 -0.906 -7.544 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.222 0.177 -7.890 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.248 -0.105 -6.940 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.174 -1.368 -6.841 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.166 0.304 -5.603 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 11.107 -0.950 -5.506 1.00 0.00 C ATOM 1703 CH2 TRP A 108 12.052 -0.144 -4.882 1.00 0.00 C ATOM 0 H TRP A 108 12.594 -1.286 -12.544 1.00 0.00 H new ATOM 0 HA TRP A 108 13.704 -3.035 -10.394 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.261 -1.304 -10.495 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.355 -2.709 -9.451 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.420 -0.416 -9.978 1.00 0.00 H new ATOM 0 HE1 TRP A 108 15.056 0.747 -7.749 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.421 -1.995 -7.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.921 0.931 -5.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.261 -1.277 -4.920 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.928 0.135 -3.846 1.00 0.00 H new ATOM 1714 N ASP A 109 12.909 -4.920 -11.773 1.00 0.00 N ATOM 1715 CA ASP A 109 12.389 -6.108 -12.429 1.00 0.00 C ATOM 1716 C ASP A 109 11.189 -6.636 -11.640 1.00 0.00 C ATOM 1717 O ASP A 109 10.387 -7.407 -12.165 1.00 0.00 O ATOM 1718 CB ASP A 109 13.444 -7.214 -12.482 1.00 0.00 C ATOM 1719 CG ASP A 109 14.685 -6.884 -13.313 1.00 0.00 C ATOM 1720 OD1 ASP A 109 14.560 -6.011 -14.198 1.00 0.00 O ATOM 1721 OD2 ASP A 109 15.732 -7.513 -13.044 1.00 0.00 O ATOM 0 H ASP A 109 13.851 -5.020 -11.395 1.00 0.00 H new ATOM 0 HA ASP A 109 12.102 -5.835 -13.444 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.758 -7.445 -11.464 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.984 -8.116 -12.886 1.00 0.00 H new ATOM 1726 N TYR A 110 11.103 -6.200 -10.392 1.00 0.00 N ATOM 1727 CA TYR A 110 10.015 -6.620 -9.526 1.00 0.00 C ATOM 1728 C TYR A 110 9.869 -5.675 -8.331 1.00 0.00 C ATOM 1729 O TYR A 110 10.855 -5.112 -7.856 1.00 0.00 O ATOM 1730 CB TYR A 110 10.393 -8.012 -9.017 1.00 0.00 C ATOM 1731 CG TYR A 110 10.760 -9.001 -10.125 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.765 -9.647 -10.831 1.00 0.00 C ATOM 1733 CD2 TYR A 110 12.086 -9.247 -10.419 1.00 0.00 C ATOM 1734 CE1 TYR A 110 10.110 -10.578 -11.874 1.00 0.00 C ATOM 1735 CE2 TYR A 110 12.431 -10.178 -11.462 1.00 0.00 C ATOM 1736 CZ TYR A 110 11.426 -10.797 -12.138 1.00 0.00 C ATOM 1737 OH TYR A 110 11.752 -11.677 -13.123 1.00 0.00 O ATOM 0 H TYR A 110 11.769 -5.560 -9.960 1.00 0.00 H new ATOM 0 HA TYR A 110 9.070 -6.616 -10.069 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.236 -7.921 -8.332 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.559 -8.417 -8.444 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.728 -9.454 -10.601 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.864 -8.741 -9.867 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.341 -11.090 -12.434 1.00 0.00 H new ATOM 0 HE2 TYR A 110 13.464 -10.380 -11.702 1.00 0.00 H new ATOM 0 HH TYR A 110 12.727 -11.733 -13.202 1.00 0.00 H new ATOM 1747 N LEU A 111 8.633 -5.530 -7.879 1.00 0.00 N ATOM 1748 CA LEU A 111 8.346 -4.663 -6.748 1.00 0.00 C ATOM 1749 C LEU A 111 9.266 -5.031 -5.583 1.00 0.00 C ATOM 1750 O LEU A 111 9.866 -4.155 -4.961 1.00 0.00 O ATOM 1751 CB LEU A 111 6.858 -4.716 -6.397 1.00 0.00 C ATOM 1752 CG LEU A 111 6.324 -3.550 -5.562 1.00 0.00 C ATOM 1753 CD1 LEU A 111 6.226 -3.934 -4.084 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.169 -2.293 -5.773 1.00 0.00 C ATOM 0 H LEU A 111 7.818 -5.998 -8.275 1.00 0.00 H new ATOM 0 HA LEU A 111 8.553 -3.624 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.288 -4.764 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.665 -5.643 -5.856 1.00 0.00 H new ATOM 0 HG LEU A 111 5.314 -3.320 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.844 -3.088 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.550 -4.782 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.214 -4.206 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.768 -1.479 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.199 -2.493 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 111 7.143 -2.010 -6.825 1.00 0.00 H new ATOM 1766 N THR A 112 9.350 -6.327 -5.323 1.00 0.00 N ATOM 1767 CA THR A 112 10.188 -6.821 -4.243 1.00 0.00 C ATOM 1768 C THR A 112 11.162 -7.879 -4.765 1.00 0.00 C ATOM 1769 O THR A 112 11.084 -8.281 -5.925 1.00 0.00 O ATOM 1770 CB THR A 112 9.271 -7.336 -3.131 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.379 -8.224 -3.800 1.00 0.00 O ATOM 1772 CG2 THR A 112 8.359 -6.243 -2.571 1.00 0.00 C ATOM 0 H THR A 112 8.852 -7.050 -5.841 1.00 0.00 H new ATOM 0 HA THR A 112 10.810 -6.027 -3.830 1.00 0.00 H new ATOM 0 HB THR A 112 9.876 -7.752 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.750 -8.605 -3.152 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.730 -6.661 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.967 -5.438 -2.158 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.730 -5.850 -3.369 1.00 0.00 H new