USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 68 SER OG : rot 180:sc= -0.0479 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.803 X(o=-0.85,f=-0.44) USER MOD Set 2.1: A 42 MET CE :methyl -173:sc= -6.54! (180deg=-3.01) USER MOD Set 2.2: A 61 MET CE :methyl 140:sc= -8.33! (180deg=-4.11!) USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= 0.0724 USER MOD Set 3.2: A 64 THR OG1 : rot -74:sc= 0.0732 USER MOD Single : A 21 ASN : amide:sc= -0.893 K(o=-0.89,f=-5.3!) USER MOD Single : A 23 GLN : amide:sc= -1.23 X(o=-1.2,f=-0.77) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 161:sc= -0.371 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc=-0.00316 X(o=-0.0032,f=-0.31) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0251 K(o=-0.025,f=-0.64) USER MOD Single : A 44 THR OG1 : rot 131:sc= 1.13 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -1.25 USER MOD Single : A 50 THR OG1 : rot 52:sc= 1.02 USER MOD Single : A 57 ASN : amide:sc= -3.98! C(o=-4!,f=-5.3!) USER MOD Single : A 58 GLN : amide:sc= -0.339 K(o=-0.34,f=-2.8!) USER MOD Single : A 60 GLN : amide:sc= -0.452 K(o=-0.45,f=-2.7!) USER MOD Single : A 70 SER OG : rot 131:sc= -0.425 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 173:sc= -0.16 (180deg=-0.177) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 16 -5.010 12.555 0.672 1.00 0.00 N ATOM 178 CA ALA A 16 -4.222 11.672 -0.172 1.00 0.00 C ATOM 179 C ALA A 16 -3.872 10.405 0.611 1.00 0.00 C ATOM 180 O ALA A 16 -2.747 9.913 0.532 1.00 0.00 O ATOM 181 CB ALA A 16 -2.978 12.414 -0.667 1.00 0.00 C ATOM 0 HA ALA A 16 -4.792 11.370 -1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.387 11.752 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.281 13.290 -1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.379 12.730 0.187 1.00 0.00 H new ATOM 187 N THR A 17 -4.856 9.912 1.348 1.00 0.00 N ATOM 188 CA THR A 17 -4.666 8.712 2.144 1.00 0.00 C ATOM 189 C THR A 17 -5.161 7.482 1.380 1.00 0.00 C ATOM 190 O THR A 17 -6.137 7.560 0.636 1.00 0.00 O ATOM 191 CB THR A 17 -5.371 8.918 3.486 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.642 9.976 4.102 1.00 0.00 O ATOM 193 CG2 THR A 17 -5.182 7.732 4.435 1.00 0.00 C ATOM 0 H THR A 17 -5.788 10.322 1.411 1.00 0.00 H new ATOM 0 HA THR A 17 -3.609 8.531 2.340 1.00 0.00 H new ATOM 0 HB THR A 17 -6.435 9.080 3.316 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.033 10.176 4.978 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.702 7.930 5.372 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.590 6.831 3.977 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.120 7.590 4.633 1.00 0.00 H new ATOM 201 N VAL A 18 -4.465 6.374 1.591 1.00 0.00 N ATOM 202 CA VAL A 18 -4.822 5.129 0.932 1.00 0.00 C ATOM 203 C VAL A 18 -4.653 3.970 1.916 1.00 0.00 C ATOM 204 O VAL A 18 -3.804 4.024 2.805 1.00 0.00 O ATOM 205 CB VAL A 18 -3.994 4.957 -0.343 1.00 0.00 C ATOM 206 CG1 VAL A 18 -4.076 6.205 -1.223 1.00 0.00 C ATOM 207 CG2 VAL A 18 -2.540 4.615 -0.011 1.00 0.00 C ATOM 0 H VAL A 18 -3.656 6.313 2.209 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.868 5.145 0.625 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.415 4.123 -0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.479 6.056 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.114 6.386 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.694 7.064 -0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.974 4.498 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.104 5.418 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.505 3.685 0.556 1.00 0.00 H new ATOM 217 N VAL A 19 -5.475 2.948 1.724 1.00 0.00 N ATOM 218 CA VAL A 19 -5.427 1.778 2.583 1.00 0.00 C ATOM 219 C VAL A 19 -4.713 0.640 1.850 1.00 0.00 C ATOM 220 O VAL A 19 -4.930 0.434 0.657 1.00 0.00 O ATOM 221 CB VAL A 19 -6.840 1.403 3.036 1.00 0.00 C ATOM 222 CG1 VAL A 19 -6.822 0.138 3.897 1.00 0.00 C ATOM 223 CG2 VAL A 19 -7.503 2.564 3.780 1.00 0.00 C ATOM 0 H VAL A 19 -6.178 2.907 0.986 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.856 1.991 3.486 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.433 1.193 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.838 -0.107 4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.409 -0.689 3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.206 0.308 4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.506 2.271 4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.910 2.819 4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.566 3.430 3.121 1.00 0.00 H new ATOM 233 N VAL A 20 -3.876 -0.068 2.594 1.00 0.00 N ATOM 234 CA VAL A 20 -3.129 -1.178 2.029 1.00 0.00 C ATOM 235 C VAL A 20 -3.551 -2.476 2.721 1.00 0.00 C ATOM 236 O VAL A 20 -3.807 -2.487 3.924 1.00 0.00 O ATOM 237 CB VAL A 20 -1.627 -0.906 2.135 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.816 -2.109 1.647 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.244 0.361 1.367 1.00 0.00 C ATOM 0 H VAL A 20 -3.699 0.106 3.583 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.352 -1.287 0.968 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.389 -0.746 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.248 -1.889 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.057 -2.981 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.061 -2.314 0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.171 0.532 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.504 0.242 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.783 1.214 1.780 1.00 0.00 H new ATOM 249 N ASN A 21 -3.612 -3.538 1.931 1.00 0.00 N ATOM 250 CA ASN A 21 -3.999 -4.837 2.453 1.00 0.00 C ATOM 251 C ASN A 21 -3.331 -5.935 1.622 1.00 0.00 C ATOM 252 O ASN A 21 -2.962 -5.709 0.471 1.00 0.00 O ATOM 253 CB ASN A 21 -5.514 -5.036 2.368 1.00 0.00 C ATOM 254 CG ASN A 21 -6.228 -4.300 3.503 1.00 0.00 C ATOM 255 OD1 ASN A 21 -6.056 -4.595 4.674 1.00 0.00 O ATOM 256 ND2 ASN A 21 -7.037 -3.327 3.093 1.00 0.00 N ATOM 0 H ASN A 21 -3.400 -3.525 0.933 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.686 -4.888 3.496 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.879 -4.672 1.408 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.748 -6.100 2.416 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.559 -2.776 3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.136 -3.132 2.097 1.00 0.00 H new ATOM 263 N LEU A 22 -3.197 -7.100 2.239 1.00 0.00 N ATOM 264 CA LEU A 22 -2.580 -8.233 1.571 1.00 0.00 C ATOM 265 C LEU A 22 -3.671 -9.189 1.084 1.00 0.00 C ATOM 266 O LEU A 22 -4.525 -9.609 1.862 1.00 0.00 O ATOM 267 CB LEU A 22 -1.545 -8.895 2.483 1.00 0.00 C ATOM 268 CG LEU A 22 -0.220 -8.148 2.648 1.00 0.00 C ATOM 269 CD1 LEU A 22 0.774 -8.970 3.470 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.355 -7.746 1.288 1.00 0.00 C ATOM 0 H LEU A 22 -3.505 -7.284 3.194 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.029 -7.902 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.990 -9.026 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.332 -9.891 2.094 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.412 -7.229 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.707 -8.416 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.357 -9.163 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.967 -9.917 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.297 -7.217 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.530 -8.639 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.351 -7.095 0.772 1.00 0.00 H new ATOM 282 N GLN A 23 -3.607 -9.504 -0.202 1.00 0.00 N ATOM 283 CA GLN A 23 -4.579 -10.402 -0.802 1.00 0.00 C ATOM 284 C GLN A 23 -4.476 -11.792 -0.172 1.00 0.00 C ATOM 285 O GLN A 23 -5.442 -12.290 0.405 1.00 0.00 O ATOM 286 CB GLN A 23 -4.397 -10.472 -2.319 1.00 0.00 C ATOM 287 CG GLN A 23 -4.999 -9.242 -3.001 1.00 0.00 C ATOM 288 CD GLN A 23 -5.969 -9.651 -4.112 1.00 0.00 C ATOM 289 OE1 GLN A 23 -5.637 -9.670 -5.285 1.00 0.00 O ATOM 290 NE2 GLN A 23 -7.183 -9.975 -3.677 1.00 0.00 N ATOM 0 H GLN A 23 -2.897 -9.153 -0.845 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.577 -10.009 -0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.336 -10.542 -2.559 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.871 -11.375 -2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.521 -8.632 -2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.202 -8.626 -3.418 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.394 -9.937 -2.680 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.903 -10.261 -4.340 1.00 0.00 H new ATOM 299 N SER A 24 -3.296 -12.381 -0.304 1.00 0.00 N ATOM 300 CA SER A 24 -3.055 -13.705 0.245 1.00 0.00 C ATOM 301 C SER A 24 -1.794 -13.690 1.111 1.00 0.00 C ATOM 302 O SER A 24 -0.750 -14.196 0.702 1.00 0.00 O ATOM 303 CB SER A 24 -2.923 -14.747 -0.868 1.00 0.00 C ATOM 304 OG SER A 24 -4.150 -15.428 -1.109 1.00 0.00 O ATOM 0 H SER A 24 -2.497 -11.966 -0.783 1.00 0.00 H new ATOM 0 HA SER A 24 -3.909 -13.980 0.863 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.593 -14.258 -1.785 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.154 -15.470 -0.598 1.00 0.00 H new ATOM 0 HG SER A 24 -4.025 -16.083 -1.827 1.00 0.00 H new ATOM 310 N PRO A 25 -1.935 -13.089 2.323 1.00 0.00 N ATOM 311 CA PRO A 25 -0.820 -13.002 3.250 1.00 0.00 C ATOM 312 C PRO A 25 -0.551 -14.354 3.913 1.00 0.00 C ATOM 313 O PRO A 25 -1.385 -15.256 3.852 1.00 0.00 O ATOM 314 CB PRO A 25 -1.217 -11.922 4.243 1.00 0.00 C ATOM 315 CG PRO A 25 -2.724 -11.772 4.115 1.00 0.00 C ATOM 316 CD PRO A 25 -3.157 -12.479 2.840 1.00 0.00 C ATOM 0 HA PRO A 25 0.118 -12.746 2.757 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.937 -12.203 5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.711 -10.982 4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.225 -12.205 4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.001 -10.718 4.080 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.920 -13.231 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.584 -11.777 2.123 1.00 0.00 H new ATOM 324 N THR A 26 0.617 -14.453 4.531 1.00 0.00 N ATOM 325 CA THR A 26 1.006 -15.680 5.205 1.00 0.00 C ATOM 326 C THR A 26 0.760 -15.563 6.710 1.00 0.00 C ATOM 327 O THR A 26 0.194 -14.575 7.175 1.00 0.00 O ATOM 328 CB THR A 26 2.464 -15.973 4.848 1.00 0.00 C ATOM 329 OG1 THR A 26 3.156 -14.780 5.208 1.00 0.00 O ATOM 330 CG2 THR A 26 2.686 -16.091 3.339 1.00 0.00 C ATOM 0 H THR A 26 1.307 -13.703 4.579 1.00 0.00 H new ATOM 0 HA THR A 26 0.400 -16.523 4.874 1.00 0.00 H new ATOM 0 HB THR A 26 2.777 -16.897 5.334 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.112 -14.974 5.308 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.737 -16.299 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.075 -16.902 2.944 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.404 -15.156 2.856 1.00 0.00 H new ATOM 338 N LEU A 27 1.198 -16.585 7.430 1.00 0.00 N ATOM 339 CA LEU A 27 1.033 -16.609 8.874 1.00 0.00 C ATOM 340 C LEU A 27 1.588 -15.313 9.468 1.00 0.00 C ATOM 341 O LEU A 27 0.857 -14.553 10.101 1.00 0.00 O ATOM 342 CB LEU A 27 1.660 -17.874 9.464 1.00 0.00 C ATOM 343 CG LEU A 27 0.880 -19.172 9.248 1.00 0.00 C ATOM 344 CD1 LEU A 27 1.543 -20.038 8.175 1.00 0.00 C ATOM 345 CD2 LEU A 27 0.701 -19.930 10.565 1.00 0.00 C ATOM 0 H LEU A 27 1.667 -17.403 7.041 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.024 -16.653 9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.655 -17.996 9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.790 -17.725 10.536 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.116 -18.916 8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.969 -20.955 8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.576 -19.489 7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.558 -20.288 8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.143 -20.849 10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.679 -20.175 10.980 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.153 -19.307 11.272 1.00 0.00 H new ATOM 357 N GLU A 28 2.876 -15.100 9.243 1.00 0.00 N ATOM 358 CA GLU A 28 3.538 -13.909 9.748 1.00 0.00 C ATOM 359 C GLU A 28 2.661 -12.677 9.517 1.00 0.00 C ATOM 360 O GLU A 28 2.483 -11.859 10.419 1.00 0.00 O ATOM 361 CB GLU A 28 4.914 -13.731 9.104 1.00 0.00 C ATOM 362 CG GLU A 28 4.792 -13.552 7.589 1.00 0.00 C ATOM 363 CD GLU A 28 6.093 -13.940 6.884 1.00 0.00 C ATOM 364 OE1 GLU A 28 7.145 -13.410 7.303 1.00 0.00 O ATOM 365 OE2 GLU A 28 6.007 -14.758 5.943 1.00 0.00 O ATOM 0 H GLU A 28 3.479 -15.733 8.717 1.00 0.00 H new ATOM 0 HA GLU A 28 3.689 -14.028 10.821 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.413 -12.864 9.537 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.537 -14.599 9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.973 -14.165 7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.546 -12.515 7.360 1.00 0.00 H new ATOM 372 N GLU A 29 2.137 -12.582 8.304 1.00 0.00 N ATOM 373 CA GLU A 29 1.283 -11.463 7.943 1.00 0.00 C ATOM 374 C GLU A 29 -0.051 -11.551 8.687 1.00 0.00 C ATOM 375 O GLU A 29 -0.506 -10.570 9.272 1.00 0.00 O ATOM 376 CB GLU A 29 1.064 -11.406 6.430 1.00 0.00 C ATOM 377 CG GLU A 29 2.274 -10.791 5.723 1.00 0.00 C ATOM 378 CD GLU A 29 2.698 -11.640 4.523 1.00 0.00 C ATOM 379 OE1 GLU A 29 1.845 -11.823 3.628 1.00 0.00 O ATOM 380 OE2 GLU A 29 3.865 -12.088 4.528 1.00 0.00 O ATOM 0 H GLU A 29 2.287 -13.262 7.558 1.00 0.00 H new ATOM 0 HA GLU A 29 1.782 -10.540 8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.886 -12.411 6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.173 -10.819 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.031 -9.781 5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.104 -10.705 6.424 1.00 0.00 H new ATOM 387 N LYS A 30 -0.640 -12.737 8.641 1.00 0.00 N ATOM 388 CA LYS A 30 -1.913 -12.967 9.303 1.00 0.00 C ATOM 389 C LYS A 30 -1.821 -12.491 10.754 1.00 0.00 C ATOM 390 O LYS A 30 -2.833 -12.156 11.367 1.00 0.00 O ATOM 391 CB LYS A 30 -2.334 -14.431 9.161 1.00 0.00 C ATOM 392 CG LYS A 30 -3.355 -14.601 8.034 1.00 0.00 C ATOM 393 CD LYS A 30 -2.862 -15.610 6.996 1.00 0.00 C ATOM 394 CE LYS A 30 -3.133 -17.044 7.453 1.00 0.00 C ATOM 395 NZ LYS A 30 -2.573 -18.012 6.483 1.00 0.00 N ATOM 0 H LYS A 30 -0.259 -13.549 8.155 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.702 -12.385 8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.458 -15.047 8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.761 -14.783 10.100 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.307 -14.935 8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.536 -13.639 7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.359 -15.428 6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.793 -15.473 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.691 -17.208 8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.207 -17.203 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.766 -18.981 6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.014 -17.865 5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.546 -17.871 6.406 1.00 0.00 H new ATOM 409 N ASN A 31 -0.597 -12.476 11.262 1.00 0.00 N ATOM 410 CA ASN A 31 -0.359 -12.047 12.630 1.00 0.00 C ATOM 411 C ASN A 31 -0.209 -10.525 12.663 1.00 0.00 C ATOM 412 O ASN A 31 -0.778 -9.861 13.528 1.00 0.00 O ATOM 413 CB ASN A 31 0.928 -12.661 13.184 1.00 0.00 C ATOM 414 CG ASN A 31 0.635 -13.957 13.943 1.00 0.00 C ATOM 415 OD1 ASN A 31 -0.298 -14.685 13.644 1.00 0.00 O ATOM 416 ND2 ASN A 31 1.480 -14.202 14.940 1.00 0.00 N ATOM 0 H ASN A 31 0.241 -12.754 10.751 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.204 -12.372 13.237 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.620 -12.863 12.366 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.418 -11.949 13.848 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.368 -15.042 15.508 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.240 -13.550 15.136 1.00 0.00 H new ATOM 423 N GLU A 32 0.559 -10.017 11.711 1.00 0.00 N ATOM 424 CA GLU A 32 0.791 -8.585 11.621 1.00 0.00 C ATOM 425 C GLU A 32 1.677 -8.266 10.415 1.00 0.00 C ATOM 426 O GLU A 32 2.567 -9.042 10.071 1.00 0.00 O ATOM 427 CB GLU A 32 1.409 -8.047 12.913 1.00 0.00 C ATOM 428 CG GLU A 32 0.549 -6.931 13.509 1.00 0.00 C ATOM 429 CD GLU A 32 0.933 -5.571 12.923 1.00 0.00 C ATOM 430 OE1 GLU A 32 2.142 -5.384 12.668 1.00 0.00 O ATOM 431 OE2 GLU A 32 0.008 -4.749 12.743 1.00 0.00 O ATOM 0 H GLU A 32 1.029 -10.571 10.995 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.170 -8.089 11.483 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.512 -8.857 13.636 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.412 -7.670 12.711 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.504 -7.133 13.310 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.671 -6.912 14.592 1.00 0.00 H new ATOM 438 N PHE A 33 1.402 -7.122 9.805 1.00 0.00 N ATOM 439 CA PHE A 33 2.163 -6.691 8.645 1.00 0.00 C ATOM 440 C PHE A 33 3.663 -6.688 8.944 1.00 0.00 C ATOM 441 O PHE A 33 4.102 -6.102 9.932 1.00 0.00 O ATOM 442 CB PHE A 33 1.716 -5.263 8.323 1.00 0.00 C ATOM 443 CG PHE A 33 1.924 -4.861 6.861 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.159 -4.957 6.299 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.875 -4.408 6.125 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.352 -4.584 4.943 1.00 0.00 C ATOM 447 CE2 PHE A 33 1.068 -4.034 4.768 1.00 0.00 C ATOM 448 CZ PHE A 33 2.303 -4.130 4.206 1.00 0.00 C ATOM 0 H PHE A 33 0.663 -6.481 10.093 1.00 0.00 H new ATOM 0 HA PHE A 33 1.988 -7.370 7.811 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.660 -5.159 8.571 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.263 -4.569 8.961 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.992 -5.317 6.884 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.105 -4.332 6.572 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.332 -4.661 4.496 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.235 -3.674 4.183 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.451 -3.846 3.175 1.00 0.00 H new ATOM 458 N PRO A 34 4.429 -7.366 8.047 1.00 0.00 N ATOM 459 CA PRO A 34 5.871 -7.447 8.205 1.00 0.00 C ATOM 460 C PRO A 34 6.539 -6.124 7.826 1.00 0.00 C ATOM 461 O PRO A 34 6.179 -5.506 6.825 1.00 0.00 O ATOM 462 CB PRO A 34 6.300 -8.604 7.317 1.00 0.00 C ATOM 463 CG PRO A 34 5.154 -8.828 6.343 1.00 0.00 C ATOM 464 CD PRO A 34 3.944 -8.071 6.865 1.00 0.00 C ATOM 0 HA PRO A 34 6.172 -7.622 9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.223 -8.368 6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.491 -9.500 7.908 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.425 -8.476 5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.930 -9.891 6.255 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.560 -7.375 6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.130 -8.751 7.116 1.00 0.00 H new ATOM 472 N GLU A 35 7.501 -5.727 8.647 1.00 0.00 N ATOM 473 CA GLU A 35 8.222 -4.488 8.411 1.00 0.00 C ATOM 474 C GLU A 35 9.086 -4.609 7.154 1.00 0.00 C ATOM 475 O GLU A 35 9.534 -3.603 6.605 1.00 0.00 O ATOM 476 CB GLU A 35 9.071 -4.108 9.625 1.00 0.00 C ATOM 477 CG GLU A 35 10.105 -5.193 9.933 1.00 0.00 C ATOM 478 CD GLU A 35 11.529 -4.663 9.746 1.00 0.00 C ATOM 479 OE1 GLU A 35 11.801 -4.147 8.641 1.00 0.00 O ATOM 480 OE2 GLU A 35 12.311 -4.785 10.713 1.00 0.00 O ATOM 0 H GLU A 35 7.797 -6.242 9.476 1.00 0.00 H new ATOM 0 HA GLU A 35 7.495 -3.691 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.577 -3.161 9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.427 -3.958 10.491 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.975 -5.544 10.957 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.943 -6.050 9.279 1.00 0.00 H new ATOM 487 N ASP A 36 9.295 -5.848 6.735 1.00 0.00 N ATOM 488 CA ASP A 36 10.098 -6.113 5.553 1.00 0.00 C ATOM 489 C ASP A 36 9.298 -5.737 4.304 1.00 0.00 C ATOM 490 O ASP A 36 9.875 -5.409 3.268 1.00 0.00 O ATOM 491 CB ASP A 36 10.460 -7.596 5.454 1.00 0.00 C ATOM 492 CG ASP A 36 11.928 -7.884 5.135 1.00 0.00 C ATOM 493 OD1 ASP A 36 12.671 -6.897 4.942 1.00 0.00 O ATOM 494 OD2 ASP A 36 12.275 -9.084 5.092 1.00 0.00 O ATOM 0 H ASP A 36 8.922 -6.680 7.193 1.00 0.00 H new ATOM 0 HA ASP A 36 11.012 -5.523 5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.207 -8.080 6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.840 -8.055 4.684 1.00 0.00 H new ATOM 499 N LEU A 37 7.982 -5.798 4.442 1.00 0.00 N ATOM 500 CA LEU A 37 7.097 -5.468 3.338 1.00 0.00 C ATOM 501 C LEU A 37 6.708 -3.991 3.426 1.00 0.00 C ATOM 502 O LEU A 37 6.721 -3.281 2.421 1.00 0.00 O ATOM 503 CB LEU A 37 5.899 -6.419 3.309 1.00 0.00 C ATOM 504 CG LEU A 37 6.217 -7.891 3.035 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.935 -8.716 2.915 1.00 0.00 C ATOM 506 CD2 LEU A 37 7.112 -8.038 1.803 1.00 0.00 C ATOM 0 H LEU A 37 7.507 -6.071 5.302 1.00 0.00 H new ATOM 0 HA LEU A 37 7.608 -5.607 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.384 -6.351 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.202 -6.070 2.547 1.00 0.00 H new ATOM 0 HG LEU A 37 6.773 -8.285 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.190 -9.758 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.370 -8.648 3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.330 -8.331 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.323 -9.093 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.604 -7.622 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.047 -7.503 1.967 1.00 0.00 H new ATOM 518 N ARG A 38 6.371 -3.572 4.637 1.00 0.00 N ATOM 519 CA ARG A 38 5.978 -2.192 4.869 1.00 0.00 C ATOM 520 C ARG A 38 6.922 -1.241 4.130 1.00 0.00 C ATOM 521 O ARG A 38 6.524 -0.593 3.164 1.00 0.00 O ATOM 522 CB ARG A 38 5.994 -1.859 6.362 1.00 0.00 C ATOM 523 CG ARG A 38 4.638 -2.157 7.004 1.00 0.00 C ATOM 524 CD ARG A 38 4.804 -3.003 8.268 1.00 0.00 C ATOM 525 NE ARG A 38 5.345 -2.171 9.366 1.00 0.00 N ATOM 526 CZ ARG A 38 5.858 -2.666 10.501 1.00 0.00 C ATOM 527 NH1 ARG A 38 5.902 -3.992 10.694 1.00 0.00 N ATOM 528 NH2 ARG A 38 6.326 -1.836 11.443 1.00 0.00 N ATOM 0 H ARG A 38 6.362 -4.164 5.468 1.00 0.00 H new ATOM 0 HA ARG A 38 4.963 -2.067 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.771 -2.439 6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.243 -0.807 6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.135 -1.222 7.251 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.002 -2.682 6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.843 -3.427 8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.474 -3.840 8.070 1.00 0.00 H new ATOM 0 HE ARG A 38 5.326 -1.158 9.252 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.545 -4.624 9.977 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.292 -4.369 11.558 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.292 -0.827 11.296 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.716 -2.213 12.307 1.00 0.00 H new ATOM 542 N THR A 39 8.154 -1.187 4.614 1.00 0.00 N ATOM 543 CA THR A 39 9.158 -0.326 4.013 1.00 0.00 C ATOM 544 C THR A 39 9.202 -0.536 2.498 1.00 0.00 C ATOM 545 O THR A 39 9.399 0.413 1.741 1.00 0.00 O ATOM 546 CB THR A 39 10.494 -0.602 4.704 1.00 0.00 C ATOM 547 OG1 THR A 39 10.313 -0.097 6.024 1.00 0.00 O ATOM 548 CG2 THR A 39 11.634 0.244 4.134 1.00 0.00 C ATOM 0 H THR A 39 8.480 -1.726 5.416 1.00 0.00 H new ATOM 0 HA THR A 39 8.914 0.726 4.157 1.00 0.00 H new ATOM 0 HB THR A 39 10.742 -1.659 4.605 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.132 -0.237 6.543 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.559 0.009 4.660 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.754 0.025 3.073 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.402 1.301 4.263 1.00 0.00 H new ATOM 556 N GLU A 40 9.016 -1.786 2.101 1.00 0.00 N ATOM 557 CA GLU A 40 9.032 -2.133 0.690 1.00 0.00 C ATOM 558 C GLU A 40 7.785 -1.585 -0.006 1.00 0.00 C ATOM 559 O GLU A 40 7.781 -1.396 -1.222 1.00 0.00 O ATOM 560 CB GLU A 40 9.145 -3.647 0.499 1.00 0.00 C ATOM 561 CG GLU A 40 10.108 -3.986 -0.641 1.00 0.00 C ATOM 562 CD GLU A 40 9.771 -3.183 -1.899 1.00 0.00 C ATOM 563 OE1 GLU A 40 8.793 -3.569 -2.575 1.00 0.00 O ATOM 564 OE2 GLU A 40 10.500 -2.200 -2.157 1.00 0.00 O ATOM 0 H GLU A 40 8.853 -2.571 2.732 1.00 0.00 H new ATOM 0 HA GLU A 40 9.910 -1.675 0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.493 -4.109 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.161 -4.064 0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.132 -3.773 -0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.056 -5.052 -0.861 1.00 0.00 H new ATOM 571 N LEU A 41 6.757 -1.343 0.794 1.00 0.00 N ATOM 572 CA LEU A 41 5.507 -0.820 0.270 1.00 0.00 C ATOM 573 C LEU A 41 5.557 0.709 0.276 1.00 0.00 C ATOM 574 O LEU A 41 5.463 1.341 -0.775 1.00 0.00 O ATOM 575 CB LEU A 41 4.319 -1.399 1.040 1.00 0.00 C ATOM 576 CG LEU A 41 2.945 -1.207 0.396 1.00 0.00 C ATOM 577 CD1 LEU A 41 2.111 -2.486 0.491 1.00 0.00 C ATOM 578 CD2 LEU A 41 2.219 -0.004 1.002 1.00 0.00 C ATOM 0 H LEU A 41 6.764 -1.500 1.802 1.00 0.00 H new ATOM 0 HA LEU A 41 5.368 -1.131 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.487 -2.467 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.300 -0.948 2.032 1.00 0.00 H new ATOM 0 HG LEU A 41 3.091 -0.996 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.139 -2.322 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.628 -3.296 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.971 -2.752 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.245 0.110 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.084 -0.162 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.810 0.897 0.839 1.00 0.00 H new ATOM 590 N MET A 42 5.706 1.260 1.472 1.00 0.00 N ATOM 591 CA MET A 42 5.769 2.703 1.628 1.00 0.00 C ATOM 592 C MET A 42 6.739 3.322 0.620 1.00 0.00 C ATOM 593 O MET A 42 6.443 4.354 0.020 1.00 0.00 O ATOM 594 CB MET A 42 6.224 3.044 3.049 1.00 0.00 C ATOM 595 CG MET A 42 5.332 2.362 4.088 1.00 0.00 C ATOM 596 SD MET A 42 3.613 2.632 3.688 1.00 0.00 S ATOM 597 CE MET A 42 2.940 1.036 4.119 1.00 0.00 C ATOM 0 H MET A 42 5.785 0.733 2.342 1.00 0.00 H new ATOM 0 HA MET A 42 4.775 3.112 1.447 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.258 2.729 3.189 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.197 4.124 3.194 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.544 1.293 4.116 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.549 2.756 5.081 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.894 0.988 3.815 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.503 0.254 3.609 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.011 0.890 5.197 1.00 0.00 H new ATOM 607 N GLN A 43 7.879 2.664 0.463 1.00 0.00 N ATOM 608 CA GLN A 43 8.894 3.137 -0.463 1.00 0.00 C ATOM 609 C GLN A 43 8.455 2.886 -1.907 1.00 0.00 C ATOM 610 O GLN A 43 8.585 3.761 -2.760 1.00 0.00 O ATOM 611 CB GLN A 43 10.245 2.477 -0.178 1.00 0.00 C ATOM 612 CG GLN A 43 10.341 1.109 -0.857 1.00 0.00 C ATOM 613 CD GLN A 43 11.680 0.437 -0.549 1.00 0.00 C ATOM 614 OE1 GLN A 43 11.938 -0.014 0.555 1.00 0.00 O ATOM 615 NE2 GLN A 43 12.515 0.394 -1.583 1.00 0.00 N ATOM 0 H GLN A 43 8.122 1.808 0.961 1.00 0.00 H new ATOM 0 HA GLN A 43 9.014 4.211 -0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.050 3.120 -0.533 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.378 2.363 0.898 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.524 0.472 -0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.228 1.225 -1.935 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.236 0.790 -2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.434 -0.035 -1.479 1.00 0.00 H new ATOM 624 N THR A 44 7.942 1.685 -2.135 1.00 0.00 N ATOM 625 CA THR A 44 7.482 1.308 -3.461 1.00 0.00 C ATOM 626 C THR A 44 6.517 2.361 -4.010 1.00 0.00 C ATOM 627 O THR A 44 6.697 2.851 -5.124 1.00 0.00 O ATOM 628 CB THR A 44 6.867 -0.090 -3.368 1.00 0.00 C ATOM 629 OG1 THR A 44 7.971 -0.969 -3.567 1.00 0.00 O ATOM 630 CG2 THR A 44 5.930 -0.396 -4.537 1.00 0.00 C ATOM 0 H THR A 44 7.835 0.961 -1.424 1.00 0.00 H new ATOM 0 HA THR A 44 8.309 1.269 -4.170 1.00 0.00 H new ATOM 0 HB THR A 44 6.319 -0.184 -2.430 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.979 -1.650 -2.862 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.521 -1.400 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.116 0.328 -4.550 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.485 -0.335 -5.473 1.00 0.00 H new ATOM 638 N LEU A 45 5.515 2.677 -3.204 1.00 0.00 N ATOM 639 CA LEU A 45 4.521 3.662 -3.595 1.00 0.00 C ATOM 640 C LEU A 45 5.161 5.052 -3.596 1.00 0.00 C ATOM 641 O LEU A 45 4.686 5.958 -4.280 1.00 0.00 O ATOM 642 CB LEU A 45 3.282 3.557 -2.705 1.00 0.00 C ATOM 643 CG LEU A 45 2.748 2.143 -2.464 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.797 2.113 -1.265 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.094 1.581 -3.728 1.00 0.00 C ATOM 0 H LEU A 45 5.370 2.268 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 45 4.173 3.469 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.513 4.006 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.486 4.153 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 45 3.591 1.496 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.432 1.097 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.327 2.443 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.954 2.778 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.723 0.575 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.264 2.222 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.829 1.544 -4.532 1.00 0.00 H new ATOM 657 N GLY A 46 6.230 5.178 -2.823 1.00 0.00 N ATOM 658 CA GLY A 46 6.939 6.442 -2.726 1.00 0.00 C ATOM 659 C GLY A 46 7.388 6.926 -4.107 1.00 0.00 C ATOM 660 O GLY A 46 7.479 8.128 -4.348 1.00 0.00 O ATOM 0 H GLY A 46 6.622 4.425 -2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.294 7.191 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.807 6.327 -2.077 1.00 0.00 H new ATOM 664 N SER A 47 7.657 5.964 -4.977 1.00 0.00 N ATOM 665 CA SER A 47 8.094 6.277 -6.327 1.00 0.00 C ATOM 666 C SER A 47 6.942 6.900 -7.119 1.00 0.00 C ATOM 667 O SER A 47 7.135 7.883 -7.832 1.00 0.00 O ATOM 668 CB SER A 47 8.614 5.027 -7.041 1.00 0.00 C ATOM 669 OG SER A 47 9.646 4.381 -6.302 1.00 0.00 O ATOM 0 H SER A 47 7.581 4.967 -4.774 1.00 0.00 H new ATOM 0 HA SER A 47 8.913 6.994 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.790 4.330 -7.199 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.991 5.303 -8.026 1.00 0.00 H new ATOM 0 HG SER A 47 9.950 3.587 -6.790 1.00 0.00 H new ATOM 675 N TYR A 48 5.770 6.302 -6.966 1.00 0.00 N ATOM 676 CA TYR A 48 4.587 6.786 -7.657 1.00 0.00 C ATOM 677 C TYR A 48 4.262 8.224 -7.248 1.00 0.00 C ATOM 678 O TYR A 48 4.235 9.122 -8.088 1.00 0.00 O ATOM 679 CB TYR A 48 3.440 5.873 -7.221 1.00 0.00 C ATOM 680 CG TYR A 48 3.392 4.535 -7.963 1.00 0.00 C ATOM 681 CD1 TYR A 48 4.139 3.467 -7.508 1.00 0.00 C ATOM 682 CD2 TYR A 48 2.603 4.397 -9.086 1.00 0.00 C ATOM 683 CE1 TYR A 48 4.094 2.209 -8.206 1.00 0.00 C ATOM 684 CE2 TYR A 48 2.558 3.138 -9.784 1.00 0.00 C ATOM 685 CZ TYR A 48 3.306 2.106 -9.310 1.00 0.00 C ATOM 686 OH TYR A 48 3.264 0.917 -9.969 1.00 0.00 O ATOM 0 H TYR A 48 5.614 5.486 -6.374 1.00 0.00 H new ATOM 0 HA TYR A 48 4.743 6.776 -8.736 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.529 5.681 -6.152 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.496 6.395 -7.374 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.757 3.575 -6.629 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.019 5.233 -9.442 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.673 1.365 -7.861 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.944 3.016 -10.664 1.00 0.00 H new ATOM 0 HH TYR A 48 3.415 0.186 -9.334 1.00 0.00 H new ATOM 696 N GLY A 49 4.024 8.398 -5.956 1.00 0.00 N ATOM 697 CA GLY A 49 3.703 9.712 -5.425 1.00 0.00 C ATOM 698 C GLY A 49 4.798 10.203 -4.476 1.00 0.00 C ATOM 699 O GLY A 49 5.945 10.378 -4.884 1.00 0.00 O ATOM 0 H GLY A 49 4.047 7.651 -5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.583 10.420 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.750 9.672 -4.897 1.00 0.00 H new ATOM 703 N THR A 50 4.406 10.410 -3.228 1.00 0.00 N ATOM 704 CA THR A 50 5.340 10.878 -2.218 1.00 0.00 C ATOM 705 C THR A 50 4.787 10.612 -0.816 1.00 0.00 C ATOM 706 O THR A 50 3.711 11.097 -0.467 1.00 0.00 O ATOM 707 CB THR A 50 5.627 12.356 -2.487 1.00 0.00 C ATOM 708 OG1 THR A 50 6.860 12.345 -3.201 1.00 0.00 O ATOM 709 CG2 THR A 50 5.944 13.134 -1.208 1.00 0.00 C ATOM 0 H THR A 50 3.454 10.262 -2.893 1.00 0.00 H new ATOM 0 HA THR A 50 6.283 10.334 -2.270 1.00 0.00 H new ATOM 0 HB THR A 50 4.768 12.808 -2.983 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.794 11.726 -3.958 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.140 14.177 -1.456 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.095 13.076 -0.527 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.823 12.704 -0.729 1.00 0.00 H new ATOM 717 N ILE A 51 5.547 9.843 -0.051 1.00 0.00 N ATOM 718 CA ILE A 51 5.147 9.507 1.305 1.00 0.00 C ATOM 719 C ILE A 51 5.297 10.741 2.197 1.00 0.00 C ATOM 720 O ILE A 51 6.412 11.182 2.470 1.00 0.00 O ATOM 721 CB ILE A 51 5.923 8.288 1.806 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.670 7.071 0.914 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.601 7.999 3.274 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.274 6.493 1.158 1.00 0.00 C ATOM 0 H ILE A 51 6.438 9.443 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 51 4.096 9.220 1.332 1.00 0.00 H new ATOM 0 HB ILE A 51 6.988 8.514 1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.772 7.356 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.423 6.308 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.166 7.128 3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.873 8.861 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.534 7.802 3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.120 5.629 0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.184 6.187 2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.523 7.251 0.936 1.00 0.00 H new ATOM 736 N VAL A 52 4.157 11.263 2.627 1.00 0.00 N ATOM 737 CA VAL A 52 4.148 12.438 3.482 1.00 0.00 C ATOM 738 C VAL A 52 3.864 12.011 4.924 1.00 0.00 C ATOM 739 O VAL A 52 4.044 12.795 5.854 1.00 0.00 O ATOM 740 CB VAL A 52 3.143 13.463 2.953 1.00 0.00 C ATOM 741 CG1 VAL A 52 3.348 13.709 1.457 1.00 0.00 C ATOM 742 CG2 VAL A 52 1.707 13.024 3.245 1.00 0.00 C ATOM 0 H VAL A 52 3.234 10.894 2.399 1.00 0.00 H new ATOM 0 HA VAL A 52 5.123 12.925 3.473 1.00 0.00 H new ATOM 0 HB VAL A 52 3.318 14.404 3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.621 14.441 1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.356 14.087 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.213 12.774 0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.013 13.770 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.515 12.065 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.569 12.923 4.322 1.00 0.00 H new ATOM 752 N LEU A 53 3.424 10.769 5.064 1.00 0.00 N ATOM 753 CA LEU A 53 3.113 10.229 6.376 1.00 0.00 C ATOM 754 C LEU A 53 2.477 8.846 6.216 1.00 0.00 C ATOM 755 O LEU A 53 1.699 8.620 5.290 1.00 0.00 O ATOM 756 CB LEU A 53 2.253 11.213 7.171 1.00 0.00 C ATOM 757 CG LEU A 53 1.330 10.598 8.226 1.00 0.00 C ATOM 758 CD1 LEU A 53 2.132 10.093 9.427 1.00 0.00 C ATOM 759 CD2 LEU A 53 0.237 11.585 8.640 1.00 0.00 C ATOM 0 H LEU A 53 3.276 10.121 4.290 1.00 0.00 H new ATOM 0 HA LEU A 53 4.025 10.096 6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.914 11.925 7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.642 11.780 6.469 1.00 0.00 H new ATOM 0 HG LEU A 53 0.833 9.734 7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.453 9.661 10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.841 9.334 9.098 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.674 10.924 9.878 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.405 11.123 9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.695 12.482 9.057 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.359 11.854 7.768 1.00 0.00 H new ATOM 771 N VAL A 54 2.831 7.958 7.133 1.00 0.00 N ATOM 772 CA VAL A 54 2.305 6.604 7.105 1.00 0.00 C ATOM 773 C VAL A 54 1.827 6.218 8.507 1.00 0.00 C ATOM 774 O VAL A 54 2.352 6.713 9.503 1.00 0.00 O ATOM 775 CB VAL A 54 3.357 5.644 6.547 1.00 0.00 C ATOM 776 CG1 VAL A 54 4.009 6.218 5.287 1.00 0.00 C ATOM 777 CG2 VAL A 54 4.410 5.309 7.605 1.00 0.00 C ATOM 0 H VAL A 54 3.476 8.150 7.900 1.00 0.00 H new ATOM 0 HA VAL A 54 1.444 6.543 6.439 1.00 0.00 H new ATOM 0 HB VAL A 54 2.853 4.718 6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.753 5.516 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.247 6.382 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.492 7.165 5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.146 4.625 7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.908 6.224 7.926 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.928 4.839 8.462 1.00 0.00 H new ATOM 787 N ARG A 55 0.838 5.337 8.539 1.00 0.00 N ATOM 788 CA ARG A 55 0.284 4.879 9.801 1.00 0.00 C ATOM 789 C ARG A 55 -0.420 3.534 9.615 1.00 0.00 C ATOM 790 O ARG A 55 -1.405 3.441 8.884 1.00 0.00 O ATOM 791 CB ARG A 55 -0.711 5.894 10.367 1.00 0.00 C ATOM 792 CG ARG A 55 -0.916 5.683 11.868 1.00 0.00 C ATOM 793 CD ARG A 55 -2.404 5.597 12.212 1.00 0.00 C ATOM 794 NE ARG A 55 -2.683 6.358 13.450 1.00 0.00 N ATOM 795 CZ ARG A 55 -2.345 5.945 14.679 1.00 0.00 C ATOM 796 NH1 ARG A 55 -1.713 4.774 14.841 1.00 0.00 N ATOM 797 NH2 ARG A 55 -2.638 6.702 15.745 1.00 0.00 N ATOM 0 H ARG A 55 0.406 4.928 7.710 1.00 0.00 H new ATOM 0 HA ARG A 55 1.110 4.766 10.504 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.348 6.905 10.185 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.666 5.800 9.849 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.413 4.768 12.182 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.458 6.504 12.420 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.999 5.994 11.390 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.696 4.555 12.343 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.163 7.254 13.362 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.490 4.198 14.029 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.455 4.459 15.776 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.119 7.593 15.621 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.380 6.387 16.680 1.00 0.00 H new ATOM 811 N ILE A 56 0.111 2.525 10.290 1.00 0.00 N ATOM 812 CA ILE A 56 -0.454 1.189 10.208 1.00 0.00 C ATOM 813 C ILE A 56 -1.649 1.087 11.159 1.00 0.00 C ATOM 814 O ILE A 56 -1.625 1.647 12.253 1.00 0.00 O ATOM 815 CB ILE A 56 0.625 0.134 10.460 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.177 -0.411 9.142 1.00 0.00 C ATOM 817 CG2 ILE A 56 0.099 -0.982 11.366 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.065 -1.634 9.383 1.00 0.00 C ATOM 0 H ILE A 56 0.927 2.606 10.897 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.828 0.994 9.203 1.00 0.00 H new ATOM 0 HB ILE A 56 1.454 0.611 10.984 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.352 -0.680 8.482 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.751 0.365 8.635 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.885 -1.719 11.529 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.207 -0.560 12.323 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.756 -1.463 10.891 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.444 -2.002 8.430 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.902 -1.355 10.024 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.482 -2.417 9.868 1.00 0.00 H new ATOM 830 N ASN A 57 -2.665 0.366 10.706 1.00 0.00 N ATOM 831 CA ASN A 57 -3.866 0.183 11.503 1.00 0.00 C ATOM 832 C ASN A 57 -3.846 -1.210 12.135 1.00 0.00 C ATOM 833 O ASN A 57 -3.349 -2.161 11.535 1.00 0.00 O ATOM 834 CB ASN A 57 -5.123 0.291 10.637 1.00 0.00 C ATOM 835 CG ASN A 57 -5.962 1.505 11.038 1.00 0.00 C ATOM 836 OD1 ASN A 57 -5.531 2.373 11.780 1.00 0.00 O ATOM 837 ND2 ASN A 57 -7.182 1.519 10.508 1.00 0.00 N ATOM 0 H ASN A 57 -2.681 -0.098 9.798 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.886 0.961 12.267 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.840 0.371 9.587 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.718 -0.617 10.739 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.819 2.288 10.715 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.480 0.761 9.894 1.00 0.00 H new ATOM 844 N GLN A 58 -4.392 -1.285 13.340 1.00 0.00 N ATOM 845 CA GLN A 58 -4.443 -2.546 14.061 1.00 0.00 C ATOM 846 C GLN A 58 -4.535 -3.716 13.079 1.00 0.00 C ATOM 847 O GLN A 58 -3.775 -4.677 13.180 1.00 0.00 O ATOM 848 CB GLN A 58 -5.611 -2.566 15.049 1.00 0.00 C ATOM 849 CG GLN A 58 -5.151 -2.160 16.450 1.00 0.00 C ATOM 850 CD GLN A 58 -5.028 -3.381 17.363 1.00 0.00 C ATOM 851 OE1 GLN A 58 -5.484 -4.469 17.051 1.00 0.00 O ATOM 852 NE2 GLN A 58 -4.389 -3.142 18.504 1.00 0.00 N ATOM 0 H GLN A 58 -4.803 -0.493 13.835 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.523 -2.651 14.635 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.392 -1.887 14.708 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.048 -3.564 15.081 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.190 -1.650 16.387 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.860 -1.451 16.878 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.032 -2.207 18.703 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.256 -3.893 19.181 1.00 0.00 H new ATOM 861 N GLY A 59 -5.473 -3.595 12.151 1.00 0.00 N ATOM 862 CA GLY A 59 -5.675 -4.630 11.151 1.00 0.00 C ATOM 863 C GLY A 59 -5.737 -4.030 9.745 1.00 0.00 C ATOM 864 O GLY A 59 -6.659 -4.319 8.984 1.00 0.00 O ATOM 0 H GLY A 59 -6.102 -2.796 12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.864 -5.356 11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.599 -5.168 11.361 1.00 0.00 H new ATOM 868 N GLN A 60 -4.745 -3.206 9.444 1.00 0.00 N ATOM 869 CA GLN A 60 -4.676 -2.562 8.143 1.00 0.00 C ATOM 870 C GLN A 60 -3.443 -1.659 8.062 1.00 0.00 C ATOM 871 O GLN A 60 -2.600 -1.672 8.957 1.00 0.00 O ATOM 872 CB GLN A 60 -5.954 -1.773 7.853 1.00 0.00 C ATOM 873 CG GLN A 60 -6.798 -2.470 6.784 1.00 0.00 C ATOM 874 CD GLN A 60 -8.265 -2.552 7.211 1.00 0.00 C ATOM 875 OE1 GLN A 60 -8.679 -1.993 8.213 1.00 0.00 O ATOM 876 NE2 GLN A 60 -9.025 -3.279 6.397 1.00 0.00 N ATOM 0 H GLN A 60 -3.982 -2.969 10.078 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.586 -3.336 7.381 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.536 -1.667 8.769 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.697 -0.767 7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.719 -1.927 5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.411 -3.473 6.607 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.614 -3.720 5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.019 -3.395 6.595 1.00 0.00 H new ATOM 885 N MET A 61 -3.378 -0.896 6.981 1.00 0.00 N ATOM 886 CA MET A 61 -2.263 0.012 6.772 1.00 0.00 C ATOM 887 C MET A 61 -2.711 1.267 6.020 1.00 0.00 C ATOM 888 O MET A 61 -3.143 1.185 4.871 1.00 0.00 O ATOM 889 CB MET A 61 -1.169 -0.699 5.972 1.00 0.00 C ATOM 890 CG MET A 61 -0.104 0.292 5.498 1.00 0.00 C ATOM 891 SD MET A 61 0.272 1.453 6.800 1.00 0.00 S ATOM 892 CE MET A 61 1.245 2.639 5.886 1.00 0.00 C ATOM 0 H MET A 61 -4.079 -0.888 6.240 1.00 0.00 H new ATOM 0 HA MET A 61 -1.877 0.313 7.746 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.705 -1.469 6.588 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.611 -1.202 5.112 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.799 -0.244 5.206 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.458 0.825 4.616 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.988 3.647 6.210 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.304 2.458 6.068 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.038 2.536 4.821 1.00 0.00 H new ATOM 902 N LEU A 62 -2.592 2.398 6.699 1.00 0.00 N ATOM 903 CA LEU A 62 -2.979 3.669 6.109 1.00 0.00 C ATOM 904 C LEU A 62 -1.724 4.431 5.682 1.00 0.00 C ATOM 905 O LEU A 62 -0.864 4.731 6.508 1.00 0.00 O ATOM 906 CB LEU A 62 -3.878 4.452 7.068 1.00 0.00 C ATOM 907 CG LEU A 62 -5.282 3.884 7.286 1.00 0.00 C ATOM 908 CD1 LEU A 62 -5.379 3.161 8.631 1.00 0.00 C ATOM 909 CD2 LEU A 62 -6.343 4.978 7.146 1.00 0.00 C ATOM 0 H LEU A 62 -2.233 2.461 7.652 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.575 3.507 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.378 4.513 8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.974 5.471 6.694 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.476 3.145 6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.387 2.767 8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.663 2.340 8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.156 3.860 9.437 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.332 4.548 7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.162 5.757 7.887 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.292 5.409 6.146 1.00 0.00 H new ATOM 921 N VAL A 63 -1.659 4.723 4.391 1.00 0.00 N ATOM 922 CA VAL A 63 -0.523 5.445 3.843 1.00 0.00 C ATOM 923 C VAL A 63 -1.002 6.779 3.267 1.00 0.00 C ATOM 924 O VAL A 63 -1.983 6.823 2.527 1.00 0.00 O ATOM 925 CB VAL A 63 0.204 4.576 2.815 1.00 0.00 C ATOM 926 CG1 VAL A 63 -0.755 3.572 2.172 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.888 5.439 1.753 1.00 0.00 C ATOM 0 H VAL A 63 -2.375 4.473 3.709 1.00 0.00 H new ATOM 0 HA VAL A 63 0.200 5.670 4.627 1.00 0.00 H new ATOM 0 HB VAL A 63 0.978 4.014 3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.214 2.966 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.175 2.925 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.560 4.108 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.397 4.796 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.140 6.040 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.615 6.096 2.231 1.00 0.00 H new ATOM 937 N THR A 64 -0.286 7.834 3.628 1.00 0.00 N ATOM 938 CA THR A 64 -0.626 9.166 3.156 1.00 0.00 C ATOM 939 C THR A 64 0.380 9.631 2.101 1.00 0.00 C ATOM 940 O THR A 64 1.576 9.367 2.220 1.00 0.00 O ATOM 941 CB THR A 64 -0.704 10.093 4.371 1.00 0.00 C ATOM 942 OG1 THR A 64 -1.656 9.464 5.226 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.339 11.444 4.037 1.00 0.00 C ATOM 0 H THR A 64 0.528 7.794 4.242 1.00 0.00 H new ATOM 0 HA THR A 64 -1.597 9.174 2.660 1.00 0.00 H new ATOM 0 HB THR A 64 0.297 10.252 4.771 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.557 9.596 4.865 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.370 12.063 4.934 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.747 11.945 3.271 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.353 11.288 3.668 1.00 0.00 H new ATOM 951 N PHE A 65 -0.141 10.314 1.093 1.00 0.00 N ATOM 952 CA PHE A 65 0.697 10.818 0.018 1.00 0.00 C ATOM 953 C PHE A 65 0.669 12.347 -0.028 1.00 0.00 C ATOM 954 O PHE A 65 0.122 12.989 0.868 1.00 0.00 O ATOM 955 CB PHE A 65 0.124 10.270 -1.290 1.00 0.00 C ATOM 956 CG PHE A 65 0.386 8.778 -1.507 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.643 8.281 -1.363 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.639 7.950 -1.844 1.00 0.00 C ATOM 959 CE1 PHE A 65 1.886 6.896 -1.564 1.00 0.00 C ATOM 960 CE2 PHE A 65 -0.396 6.565 -2.046 1.00 0.00 C ATOM 961 CZ PHE A 65 0.862 6.068 -1.901 1.00 0.00 C ATOM 0 H PHE A 65 -1.133 10.530 0.998 1.00 0.00 H new ATOM 0 HA PHE A 65 1.729 10.505 0.173 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.952 10.446 -1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.550 10.828 -2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.457 8.939 -1.096 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.638 8.345 -1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.884 6.501 -1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.209 5.907 -2.314 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.047 5.015 -2.054 1.00 0.00 H new ATOM 971 N ALA A 66 1.266 12.887 -1.080 1.00 0.00 N ATOM 972 CA ALA A 66 1.317 14.328 -1.255 1.00 0.00 C ATOM 973 C ALA A 66 0.244 14.754 -2.259 1.00 0.00 C ATOM 974 O ALA A 66 -0.349 15.823 -2.123 1.00 0.00 O ATOM 975 CB ALA A 66 2.723 14.741 -1.694 1.00 0.00 C ATOM 0 H ALA A 66 1.719 12.352 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 66 1.108 14.836 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.760 15.822 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.444 14.443 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.968 14.253 -2.637 1.00 0.00 H new ATOM 981 N ASP A 67 0.028 13.896 -3.245 1.00 0.00 N ATOM 982 CA ASP A 67 -0.963 14.169 -4.272 1.00 0.00 C ATOM 983 C ASP A 67 -1.984 13.030 -4.306 1.00 0.00 C ATOM 984 O ASP A 67 -1.737 11.954 -3.763 1.00 0.00 O ATOM 985 CB ASP A 67 -0.313 14.264 -5.653 1.00 0.00 C ATOM 986 CG ASP A 67 0.796 15.311 -5.776 1.00 0.00 C ATOM 987 OD1 ASP A 67 1.608 15.391 -4.829 1.00 0.00 O ATOM 988 OD2 ASP A 67 0.806 16.009 -6.813 1.00 0.00 O ATOM 0 H ASP A 67 0.523 13.011 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.443 15.118 -4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.099 13.289 -5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.087 14.488 -6.387 1.00 0.00 H new ATOM 993 N SER A 68 -3.108 13.304 -4.951 1.00 0.00 N ATOM 994 CA SER A 68 -4.167 12.316 -5.063 1.00 0.00 C ATOM 995 C SER A 68 -4.012 11.530 -6.367 1.00 0.00 C ATOM 996 O SER A 68 -4.095 10.302 -6.370 1.00 0.00 O ATOM 997 CB SER A 68 -5.546 12.975 -5.002 1.00 0.00 C ATOM 998 OG SER A 68 -5.756 13.875 -6.087 1.00 0.00 O ATOM 0 H SER A 68 -3.308 14.197 -5.402 1.00 0.00 H new ATOM 0 HA SER A 68 -4.085 11.630 -4.220 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.317 12.205 -5.016 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.649 13.513 -4.060 1.00 0.00 H new ATOM 0 HG SER A 68 -6.648 14.274 -6.013 1.00 0.00 H new ATOM 1004 N HIS A 69 -3.791 12.269 -7.444 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.624 11.657 -8.751 1.00 0.00 C ATOM 1006 C HIS A 69 -2.703 10.441 -8.634 1.00 0.00 C ATOM 1007 O HIS A 69 -2.922 9.427 -9.295 1.00 0.00 O ATOM 1008 CB HIS A 69 -3.125 12.682 -9.771 1.00 0.00 C ATOM 1009 CG HIS A 69 -3.775 14.039 -9.647 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -3.126 15.215 -9.980 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -5.022 14.395 -9.223 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -3.954 16.226 -9.762 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -5.129 15.716 -9.292 1.00 0.00 N ATOM 0 H HIS A 69 -3.724 13.287 -7.438 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.588 11.305 -9.118 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.047 12.796 -9.659 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.302 12.296 -10.775 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.792 13.716 -8.888 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.737 17.271 -9.927 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.953 16.260 -9.036 1.00 0.00 H new ATOM 1021 N SER A 70 -1.692 10.583 -7.789 1.00 0.00 N ATOM 1022 CA SER A 70 -0.738 9.508 -7.577 1.00 0.00 C ATOM 1023 C SER A 70 -1.443 8.293 -6.973 1.00 0.00 C ATOM 1024 O SER A 70 -1.259 7.169 -7.438 1.00 0.00 O ATOM 1025 CB SER A 70 0.409 9.961 -6.671 1.00 0.00 C ATOM 1026 OG SER A 70 1.535 10.412 -7.419 1.00 0.00 O ATOM 0 H SER A 70 -1.513 11.426 -7.243 1.00 0.00 H new ATOM 0 HA SER A 70 -0.315 9.231 -8.543 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.061 10.763 -6.020 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.709 9.135 -6.026 1.00 0.00 H new ATOM 0 HG SER A 70 1.831 11.280 -7.073 1.00 0.00 H new ATOM 1032 N ALA A 71 -2.236 8.559 -5.945 1.00 0.00 N ATOM 1033 CA ALA A 71 -2.970 7.501 -5.272 1.00 0.00 C ATOM 1034 C ALA A 71 -3.872 6.790 -6.283 1.00 0.00 C ATOM 1035 O ALA A 71 -3.860 5.563 -6.375 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.759 8.091 -4.101 1.00 0.00 C ATOM 0 H ALA A 71 -2.386 9.492 -5.562 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.284 6.759 -4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.310 7.297 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.070 8.559 -3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.460 8.838 -4.474 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.632 7.590 -7.015 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.539 7.052 -8.016 1.00 0.00 C ATOM 1044 C LEU A 72 -4.848 5.908 -8.761 1.00 0.00 C ATOM 1045 O LEU A 72 -5.419 4.830 -8.916 1.00 0.00 O ATOM 1046 CB LEU A 72 -6.045 8.166 -8.934 1.00 0.00 C ATOM 1047 CG LEU A 72 -7.546 8.456 -8.872 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -7.849 9.574 -7.873 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -8.103 8.765 -10.264 1.00 0.00 C ATOM 0 H LEU A 72 -4.639 8.607 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.427 6.634 -7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.508 9.083 -8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.787 7.909 -9.961 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.052 7.559 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.923 9.759 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.510 9.277 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.330 10.483 -8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.172 8.967 -10.192 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.595 9.638 -10.673 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.939 7.910 -10.919 1.00 0.00 H new ATOM 1061 N SER A 73 -3.629 6.182 -9.202 1.00 0.00 N ATOM 1062 CA SER A 73 -2.855 5.189 -9.927 1.00 0.00 C ATOM 1063 C SER A 73 -2.407 4.078 -8.975 1.00 0.00 C ATOM 1064 O SER A 73 -2.512 2.896 -9.301 1.00 0.00 O ATOM 1065 CB SER A 73 -1.642 5.825 -10.607 1.00 0.00 C ATOM 1066 OG SER A 73 -1.830 5.963 -12.013 1.00 0.00 O ATOM 0 H SER A 73 -3.158 7.077 -9.071 1.00 0.00 H new ATOM 0 HA SER A 73 -3.490 4.761 -10.703 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.453 6.805 -10.169 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.759 5.215 -10.417 1.00 0.00 H new ATOM 0 HG SER A 73 -1.034 6.375 -12.411 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.917 4.496 -7.817 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.453 3.551 -6.816 1.00 0.00 C ATOM 1074 C VAL A 74 -2.611 2.639 -6.406 1.00 0.00 C ATOM 1075 O VAL A 74 -2.393 1.575 -5.827 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.836 4.302 -5.634 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.295 3.326 -4.587 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.257 5.262 -6.105 1.00 0.00 C ATOM 0 H VAL A 74 -1.831 5.477 -7.550 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.668 2.915 -7.226 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.622 4.894 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.138 3.885 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.108 2.701 -4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.471 2.696 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.679 5.783 -5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.042 4.700 -6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.170 5.989 -6.796 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.816 3.088 -6.722 1.00 0.00 N ATOM 1089 CA LEU A 75 -5.009 2.326 -6.394 1.00 0.00 C ATOM 1090 C LEU A 75 -5.353 1.399 -7.561 1.00 0.00 C ATOM 1091 O LEU A 75 -6.114 0.446 -7.398 1.00 0.00 O ATOM 1092 CB LEU A 75 -6.151 3.262 -5.995 1.00 0.00 C ATOM 1093 CG LEU A 75 -5.928 4.090 -4.728 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -6.827 5.328 -4.716 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.114 3.234 -3.473 1.00 0.00 C ATOM 0 H LEU A 75 -3.992 3.970 -7.202 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.829 1.693 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.340 3.945 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.053 2.665 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.896 4.442 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.648 5.899 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.602 5.949 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.872 5.019 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.950 3.847 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.127 2.832 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.398 2.412 -3.484 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.777 1.710 -8.713 1.00 0.00 N ATOM 1108 CA ASP A 76 -5.014 0.917 -9.907 1.00 0.00 C ATOM 1109 C ASP A 76 -3.940 -0.168 -10.014 1.00 0.00 C ATOM 1110 O ASP A 76 -4.257 -1.348 -10.153 1.00 0.00 O ATOM 1111 CB ASP A 76 -4.939 1.782 -11.167 1.00 0.00 C ATOM 1112 CG ASP A 76 -6.102 2.760 -11.349 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -7.224 2.390 -10.941 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -5.842 3.855 -11.893 1.00 0.00 O ATOM 0 H ASP A 76 -4.146 2.501 -8.845 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.009 0.479 -9.829 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.008 2.348 -11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.895 1.127 -12.037 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.692 0.271 -9.946 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.570 -0.648 -10.033 1.00 0.00 C ATOM 1121 C VAL A 77 -1.522 -1.510 -8.770 1.00 0.00 C ATOM 1122 O VAL A 77 -0.766 -2.478 -8.703 1.00 0.00 O ATOM 1123 CB VAL A 77 -0.275 0.129 -10.276 1.00 0.00 C ATOM 1124 CG1 VAL A 77 0.303 0.657 -8.961 1.00 0.00 C ATOM 1125 CG2 VAL A 77 0.750 -0.730 -11.020 1.00 0.00 C ATOM 0 H VAL A 77 -2.433 1.251 -9.832 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.693 -1.322 -10.881 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.513 0.986 -10.906 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.223 1.205 -9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.419 1.322 -8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.517 -0.180 -8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.661 -0.153 -11.180 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.981 -1.616 -10.428 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.340 -1.034 -11.983 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.338 -1.127 -7.800 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.399 -1.852 -6.542 1.00 0.00 C ATOM 1137 C ASP A 78 -2.406 -3.356 -6.826 1.00 0.00 C ATOM 1138 O ASP A 78 -1.820 -4.135 -6.076 1.00 0.00 O ATOM 1139 CB ASP A 78 -3.674 -1.510 -5.770 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.902 -2.340 -6.150 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -5.085 -3.404 -5.520 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.630 -1.891 -7.061 1.00 0.00 O ATOM 0 H ASP A 78 -2.963 -0.323 -7.859 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.531 -1.569 -5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.482 -1.640 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.904 -0.456 -5.926 1.00 0.00 H new ATOM 1147 N GLY A 79 -3.077 -3.718 -7.910 1.00 0.00 N ATOM 1148 CA GLY A 79 -3.168 -5.114 -8.301 1.00 0.00 C ATOM 1149 C GLY A 79 -1.791 -5.780 -8.283 1.00 0.00 C ATOM 1150 O GLY A 79 -1.690 -7.001 -8.181 1.00 0.00 O ATOM 0 H GLY A 79 -3.562 -3.069 -8.529 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.840 -5.642 -7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.599 -5.188 -9.300 1.00 0.00 H new ATOM 1154 N MET A 80 -0.765 -4.948 -8.384 1.00 0.00 N ATOM 1155 CA MET A 80 0.602 -5.441 -8.380 1.00 0.00 C ATOM 1156 C MET A 80 0.808 -6.475 -7.272 1.00 0.00 C ATOM 1157 O MET A 80 -0.076 -6.688 -6.444 1.00 0.00 O ATOM 1158 CB MET A 80 1.566 -4.271 -8.173 1.00 0.00 C ATOM 1159 CG MET A 80 1.446 -3.705 -6.756 1.00 0.00 C ATOM 1160 SD MET A 80 2.886 -2.726 -6.366 1.00 0.00 S ATOM 1161 CE MET A 80 2.140 -1.476 -5.333 1.00 0.00 C ATOM 0 H MET A 80 -0.853 -3.935 -8.469 1.00 0.00 H new ATOM 0 HA MET A 80 0.799 -5.920 -9.339 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.589 -4.602 -8.351 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.354 -3.487 -8.900 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.547 -3.093 -6.675 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.344 -4.519 -6.038 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.920 -0.850 -4.899 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.471 -0.859 -5.934 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.573 -1.955 -4.535 1.00 0.00 H new ATOM 1171 N LYS A 81 1.981 -7.091 -7.292 1.00 0.00 N ATOM 1172 CA LYS A 81 2.315 -8.098 -6.300 1.00 0.00 C ATOM 1173 C LYS A 81 3.632 -7.719 -5.618 1.00 0.00 C ATOM 1174 O LYS A 81 4.611 -7.394 -6.288 1.00 0.00 O ATOM 1175 CB LYS A 81 2.329 -9.491 -6.933 1.00 0.00 C ATOM 1176 CG LYS A 81 0.912 -10.057 -7.042 1.00 0.00 C ATOM 1177 CD LYS A 81 0.637 -10.576 -8.455 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.789 -10.238 -8.895 1.00 0.00 C ATOM 1179 NZ LYS A 81 -1.569 -11.475 -9.120 1.00 0.00 N ATOM 0 H LYS A 81 2.712 -6.912 -7.980 1.00 0.00 H new ATOM 0 HA LYS A 81 1.552 -8.134 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.781 -9.440 -7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.947 -10.160 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.783 -10.865 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.187 -9.284 -6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.350 -10.137 -9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.784 -11.656 -8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.276 -9.628 -8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.763 -9.646 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.534 -11.227 -9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.113 -12.043 -9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.609 -12.025 -8.238 1.00 0.00 H new ATOM 1193 N VAL A 82 3.613 -7.774 -4.294 1.00 0.00 N ATOM 1194 CA VAL A 82 4.793 -7.441 -3.515 1.00 0.00 C ATOM 1195 C VAL A 82 5.515 -8.729 -3.114 1.00 0.00 C ATOM 1196 O VAL A 82 4.994 -9.517 -2.326 1.00 0.00 O ATOM 1197 CB VAL A 82 4.400 -6.577 -2.314 1.00 0.00 C ATOM 1198 CG1 VAL A 82 5.630 -6.195 -1.488 1.00 0.00 C ATOM 1199 CG2 VAL A 82 3.632 -5.332 -2.762 1.00 0.00 C ATOM 0 H VAL A 82 2.799 -8.044 -3.742 1.00 0.00 H new ATOM 0 HA VAL A 82 5.489 -6.850 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 82 3.740 -7.167 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.323 -5.581 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.118 -7.099 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.326 -5.632 -2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.365 -4.736 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.258 -4.739 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.726 -5.633 -3.287 1.00 0.00 H new ATOM 1209 N LYS A 83 6.702 -8.903 -3.675 1.00 0.00 N ATOM 1210 CA LYS A 83 7.501 -10.082 -3.386 1.00 0.00 C ATOM 1211 C LYS A 83 6.704 -11.335 -3.754 1.00 0.00 C ATOM 1212 O LYS A 83 6.839 -12.373 -3.109 1.00 0.00 O ATOM 1213 CB LYS A 83 7.979 -10.062 -1.933 1.00 0.00 C ATOM 1214 CG LYS A 83 9.242 -9.212 -1.783 1.00 0.00 C ATOM 1215 CD LYS A 83 9.781 -9.279 -0.353 1.00 0.00 C ATOM 1216 CE LYS A 83 10.453 -7.962 0.042 1.00 0.00 C ATOM 1217 NZ LYS A 83 11.921 -8.060 -0.121 1.00 0.00 N ATOM 0 H LYS A 83 7.130 -8.247 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 83 8.405 -10.088 -3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.191 -9.665 -1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.179 -11.080 -1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.004 -9.561 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.021 -8.177 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.966 -9.497 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.497 -10.096 -0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.066 -7.150 -0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.211 -7.720 1.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.361 -7.158 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.288 -8.821 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.147 -8.270 -1.114 1.00 0.00 H new ATOM 1231 N GLY A 84 5.891 -11.197 -4.791 1.00 0.00 N ATOM 1232 CA GLY A 84 5.072 -12.305 -5.253 1.00 0.00 C ATOM 1233 C GLY A 84 3.753 -12.371 -4.481 1.00 0.00 C ATOM 1234 O GLY A 84 2.820 -13.057 -4.896 1.00 0.00 O ATOM 0 H GLY A 84 5.782 -10.335 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.869 -12.192 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.617 -13.241 -5.130 1.00 0.00 H new ATOM 1238 N ARG A 85 3.717 -11.649 -3.371 1.00 0.00 N ATOM 1239 CA ARG A 85 2.527 -11.617 -2.537 1.00 0.00 C ATOM 1240 C ARG A 85 1.521 -10.604 -3.087 1.00 0.00 C ATOM 1241 O ARG A 85 1.807 -9.409 -3.146 1.00 0.00 O ATOM 1242 CB ARG A 85 2.876 -11.247 -1.094 1.00 0.00 C ATOM 1243 CG ARG A 85 2.080 -12.098 -0.103 1.00 0.00 C ATOM 1244 CD ARG A 85 2.745 -13.459 0.111 1.00 0.00 C ATOM 1245 NE ARG A 85 2.200 -14.446 -0.847 1.00 0.00 N ATOM 1246 CZ ARG A 85 2.740 -15.651 -1.074 1.00 0.00 C ATOM 1247 NH1 ARG A 85 3.844 -16.025 -0.413 1.00 0.00 N ATOM 1248 NH2 ARG A 85 2.177 -16.481 -1.962 1.00 0.00 N ATOM 0 H ARG A 85 4.493 -11.081 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 85 2.087 -12.614 -2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.944 -11.390 -0.926 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.665 -10.191 -0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.001 -11.574 0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.065 -12.240 -0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.823 -13.370 -0.020 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.575 -13.799 1.132 1.00 0.00 H new ATOM 0 HE ARG A 85 1.360 -14.193 -1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.273 -15.392 0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.256 -16.942 -0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.337 -16.196 -2.466 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.588 -17.398 -2.135 1.00 0.00 H new ATOM 1262 N ALA A 86 0.363 -11.119 -3.475 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.687 -10.274 -4.017 1.00 0.00 C ATOM 1264 C ALA A 86 -1.103 -9.245 -2.964 1.00 0.00 C ATOM 1265 O ALA A 86 -1.483 -9.609 -1.852 1.00 0.00 O ATOM 1266 CB ALA A 86 -1.858 -11.145 -4.476 1.00 0.00 C ATOM 0 H ALA A 86 0.129 -12.111 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.327 -9.727 -4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.646 -10.511 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.517 -11.838 -5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.247 -11.708 -3.628 1.00 0.00 H new ATOM 1272 N VAL A 87 -1.018 -7.981 -3.352 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.381 -6.897 -2.455 1.00 0.00 C ATOM 1274 C VAL A 87 -2.620 -6.184 -2.999 1.00 0.00 C ATOM 1275 O VAL A 87 -3.035 -6.429 -4.131 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.189 -5.958 -2.259 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.190 -5.271 -3.573 1.00 0.00 C ATOM 1278 CG2 VAL A 87 -0.476 -4.928 -1.164 1.00 0.00 C ATOM 0 H VAL A 87 -0.703 -7.683 -4.275 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.636 -7.286 -1.469 1.00 0.00 H new ATOM 0 HB VAL A 87 0.662 -6.559 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.040 -4.609 -3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.457 -6.025 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.657 -4.689 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.387 -4.273 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.346 -4.334 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.674 -5.442 -0.223 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.177 -5.315 -2.168 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.360 -4.565 -2.552 1.00 0.00 C ATOM 1290 C LYS A 88 -4.330 -3.192 -1.877 1.00 0.00 C ATOM 1291 O LYS A 88 -3.995 -3.083 -0.698 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.626 -5.370 -2.251 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.362 -5.736 -3.541 1.00 0.00 C ATOM 1294 CD LYS A 88 -7.609 -6.571 -3.243 1.00 0.00 C ATOM 1295 CE LYS A 88 -8.861 -5.917 -3.832 1.00 0.00 C ATOM 1296 NZ LYS A 88 -9.964 -5.926 -2.845 1.00 0.00 N ATOM 0 H LYS A 88 -2.830 -5.114 -1.230 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.368 -4.392 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.364 -6.278 -1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.285 -4.790 -1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.647 -4.827 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.695 -6.294 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.488 -7.572 -3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.726 -6.684 -2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.638 -4.892 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.167 -6.449 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.806 -5.479 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.187 -6.907 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.675 -5.398 -1.997 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.684 -2.178 -2.653 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.701 -0.817 -2.145 1.00 0.00 C ATOM 1312 C ILE A 89 -6.064 -0.186 -2.435 1.00 0.00 C ATOM 1313 O ILE A 89 -6.496 -0.134 -3.586 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.522 -0.020 -2.707 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.210 -0.790 -2.539 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.453 1.373 -2.079 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.282 -0.559 -3.734 1.00 0.00 C ATOM 0 H ILE A 89 -4.961 -2.272 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.571 -0.813 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.681 0.117 -3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.713 -0.474 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.420 -1.855 -2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.606 1.918 -2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.374 1.915 -2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.329 1.280 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.357 -1.117 -3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.772 -0.899 -4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.055 0.504 -3.818 1.00 0.00 H new ATOM 1329 N SER A 90 -6.704 0.278 -1.372 1.00 0.00 N ATOM 1330 CA SER A 90 -8.010 0.904 -1.498 1.00 0.00 C ATOM 1331 C SER A 90 -7.953 2.341 -0.978 1.00 0.00 C ATOM 1332 O SER A 90 -6.888 2.829 -0.605 1.00 0.00 O ATOM 1333 CB SER A 90 -9.077 0.108 -0.745 1.00 0.00 C ATOM 1334 OG SER A 90 -9.745 -0.823 -1.592 1.00 0.00 O ATOM 0 H SER A 90 -6.343 0.233 -0.419 1.00 0.00 H new ATOM 0 HA SER A 90 -8.283 0.917 -2.553 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.613 -0.425 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.806 0.795 -0.315 1.00 0.00 H new ATOM 0 HG SER A 90 -10.417 -1.313 -1.074 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.114 2.980 -0.970 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.211 4.352 -0.502 1.00 0.00 C ATOM 1342 C GLY A 91 -10.435 4.540 0.397 1.00 0.00 C ATOM 1343 O GLY A 91 -11.555 4.218 0.002 1.00 0.00 O ATOM 0 H GLY A 91 -9.996 2.572 -1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.308 4.617 0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.275 5.027 -1.355 1.00 0.00 H new