USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot -146:sc= 0.0496 USER MOD Set 1.2: B 31 SER OG : rot 63:sc= 0.0516 USER MOD Set 2.1: A 21 CYS SG : rot -41:sc= -5.27! USER MOD Set 2.2: B 21 CYS SG : rot -35:sc= -5.56! USER MOD Single : A 15 THR OG1 : rot -36:sc= 0.768 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -10.4! C(o=-10!,f=-30!) USER MOD Single : A 27 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.5!) USER MOD Single : A 32 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.88) USER MOD Single : A 37 TYR OH : rot -119:sc= -1.88! USER MOD Single : A 38 CYS SG : rot -7:sc= -14.7! USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.355) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.644 K(o=-0.64,f=-1.9!) USER MOD Single : B 15 THR OG1 : rot -35:sc= 0.624 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 23 ASN : amide:sc= -11.1! C(o=-11!,f=-29!) USER MOD Single : B 27 GLN : amide:sc= -0.313 K(o=-0.31,f=-1.6!) USER MOD Single : B 32 GLN : amide:sc=-0.00923 X(o=-0.0092,f=-0.19) USER MOD Single : B 37 TYR OH : rot -129:sc= -1.94! USER MOD Single : B 38 CYS SG : rot -4:sc= -15.7! USER MOD Single : B 40 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.166) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 245 N THR A 15 -3.704 1.510 1.759 1.00 0.00 N ATOM 246 CA THR A 15 -2.737 0.977 2.764 1.00 0.00 C ATOM 247 C THR A 15 -2.696 -0.553 2.681 1.00 0.00 C ATOM 248 O THR A 15 -3.656 -1.217 3.014 1.00 0.00 O ATOM 249 CB THR A 15 -3.281 1.431 4.116 1.00 0.00 C ATOM 250 OG1 THR A 15 -4.698 1.331 4.117 1.00 0.00 O ATOM 251 CG2 THR A 15 -2.866 2.880 4.370 1.00 0.00 C ATOM 0 HA THR A 15 -1.721 1.335 2.599 1.00 0.00 H new ATOM 0 HB THR A 15 -2.876 0.795 4.904 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.043 1.557 3.228 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.254 3.206 5.335 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.778 2.952 4.373 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.269 3.517 3.583 1.00 0.00 H new ATOM 259 N SER A 16 -1.601 -1.120 2.230 1.00 0.00 N ATOM 260 CA SER A 16 -1.523 -2.611 2.129 1.00 0.00 C ATOM 261 C SER A 16 -1.676 -3.224 3.557 1.00 0.00 C ATOM 262 O SER A 16 -2.672 -2.918 4.179 1.00 0.00 O ATOM 263 CB SER A 16 -0.198 -2.886 1.410 1.00 0.00 C ATOM 264 OG SER A 16 -0.209 -2.226 0.151 1.00 0.00 O ATOM 0 H SER A 16 -0.765 -0.619 1.930 1.00 0.00 H new ATOM 0 HA SER A 16 -2.321 -3.085 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.638 -2.532 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.060 -3.958 1.272 1.00 0.00 H new ATOM 0 HG SER A 16 0.636 -2.396 -0.315 1.00 0.00 H new ATOM 270 N PRO A 17 -0.786 -4.067 4.104 1.00 0.00 N ATOM 271 CA PRO A 17 0.482 -4.583 3.557 1.00 0.00 C ATOM 272 C PRO A 17 0.348 -6.074 3.253 1.00 0.00 C ATOM 273 O PRO A 17 1.237 -6.839 3.575 1.00 0.00 O ATOM 274 CB PRO A 17 1.390 -4.469 4.781 1.00 0.00 C ATOM 275 CG PRO A 17 0.469 -4.532 5.961 1.00 0.00 C ATOM 276 CD PRO A 17 -0.917 -4.649 5.412 1.00 0.00 C ATOM 0 HA PRO A 17 0.811 -4.071 2.653 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.119 -5.279 4.807 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.951 -3.535 4.769 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.709 -5.386 6.595 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.568 -3.639 6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.247 -5.687 5.363 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.642 -4.112 6.024 1.00 0.00 H new ATOM 284 N PRO A 18 -0.760 -6.468 2.694 1.00 0.00 N ATOM 285 CA PRO A 18 -0.965 -7.900 2.431 1.00 0.00 C ATOM 286 C PRO A 18 0.069 -8.460 1.432 1.00 0.00 C ATOM 287 O PRO A 18 0.417 -9.621 1.531 1.00 0.00 O ATOM 288 CB PRO A 18 -2.412 -7.971 1.959 1.00 0.00 C ATOM 289 CG PRO A 18 -2.712 -6.618 1.420 1.00 0.00 C ATOM 290 CD PRO A 18 -1.904 -5.660 2.252 1.00 0.00 C ATOM 0 HA PRO A 18 -0.808 -8.533 3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.540 -8.737 1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.082 -8.226 2.780 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.440 -6.547 0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.777 -6.396 1.490 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.584 -4.795 1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.478 -5.281 3.098 1.00 0.00 H new ATOM 298 N PRO A 19 0.600 -7.636 0.549 1.00 0.00 N ATOM 299 CA PRO A 19 1.656 -8.132 -0.350 1.00 0.00 C ATOM 300 C PRO A 19 2.959 -8.067 0.445 1.00 0.00 C ATOM 301 O PRO A 19 3.783 -7.201 0.248 1.00 0.00 O ATOM 302 CB PRO A 19 1.644 -7.150 -1.515 1.00 0.00 C ATOM 303 CG PRO A 19 1.069 -5.883 -0.964 1.00 0.00 C ATOM 304 CD PRO A 19 0.297 -6.221 0.292 1.00 0.00 C ATOM 0 HA PRO A 19 1.529 -9.151 -0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.650 -6.988 -1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.041 -7.528 -2.341 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.863 -5.170 -0.742 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.414 -5.412 -1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.605 -5.592 1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.773 -6.064 0.153 1.00 0.00 H new ATOM 312 N GLU A 20 3.087 -8.953 1.398 1.00 0.00 N ATOM 313 CA GLU A 20 4.270 -8.978 2.321 1.00 0.00 C ATOM 314 C GLU A 20 5.627 -9.003 1.605 1.00 0.00 C ATOM 315 O GLU A 20 6.449 -9.847 1.883 1.00 0.00 O ATOM 316 CB GLU A 20 4.098 -10.265 3.138 1.00 0.00 C ATOM 317 CG GLU A 20 3.615 -11.405 2.236 1.00 0.00 C ATOM 318 CD GLU A 20 4.062 -12.743 2.826 1.00 0.00 C ATOM 319 OE1 GLU A 20 5.225 -13.077 2.670 1.00 0.00 O ATOM 320 OE2 GLU A 20 3.235 -13.411 3.425 1.00 0.00 O ATOM 0 H GLU A 20 2.401 -9.684 1.583 1.00 0.00 H new ATOM 0 HA GLU A 20 4.288 -8.066 2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.045 -10.537 3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.382 -10.100 3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.529 -11.379 2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.020 -11.285 1.231 1.00 0.00 H new ATOM 327 N CYS A 21 5.911 -8.073 0.741 1.00 0.00 N ATOM 328 CA CYS A 21 7.272 -8.087 0.114 1.00 0.00 C ATOM 329 C CYS A 21 8.266 -7.439 1.084 1.00 0.00 C ATOM 330 O CYS A 21 9.425 -7.797 1.125 1.00 0.00 O ATOM 331 CB CYS A 21 7.252 -7.347 -1.247 1.00 0.00 C ATOM 332 SG CYS A 21 5.720 -6.415 -1.519 1.00 0.00 S ATOM 0 H CYS A 21 5.287 -7.323 0.444 1.00 0.00 H new ATOM 0 HA CYS A 21 7.580 -9.114 -0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.101 -6.665 -1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.378 -8.072 -2.051 1.00 0.00 H new ATOM 0 HG CYS A 21 4.706 -7.119 -1.111 1.00 0.00 H new ATOM 338 N ILE A 22 7.815 -6.496 1.878 1.00 0.00 N ATOM 339 CA ILE A 22 8.733 -5.839 2.860 1.00 0.00 C ATOM 340 C ILE A 22 8.909 -6.725 4.079 1.00 0.00 C ATOM 341 O ILE A 22 10.003 -7.060 4.465 1.00 0.00 O ATOM 342 CB ILE A 22 8.045 -4.551 3.309 1.00 0.00 C ATOM 343 CG1 ILE A 22 7.710 -3.619 2.137 1.00 0.00 C ATOM 344 CG2 ILE A 22 8.958 -3.817 4.280 1.00 0.00 C ATOM 345 CD1 ILE A 22 8.322 -4.111 0.817 1.00 0.00 C ATOM 0 H ILE A 22 6.854 -6.155 1.888 1.00 0.00 H new ATOM 0 HA ILE A 22 9.707 -5.654 2.407 1.00 0.00 H new ATOM 0 HB ILE A 22 7.104 -4.830 3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.628 -3.546 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.077 -2.616 2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.476 -2.896 4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.154 -4.451 5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.899 -3.578 3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.059 -3.421 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.407 -4.159 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.935 -5.103 0.584 1.00 0.00 H new ATOM 357 N ASN A 23 7.840 -7.093 4.710 1.00 0.00 N ATOM 358 CA ASN A 23 7.988 -7.952 5.914 1.00 0.00 C ATOM 359 C ASN A 23 8.600 -9.292 5.508 1.00 0.00 C ATOM 360 O ASN A 23 9.601 -9.705 6.051 1.00 0.00 O ATOM 361 CB ASN A 23 6.589 -8.134 6.496 1.00 0.00 C ATOM 362 CG ASN A 23 5.737 -8.966 5.551 1.00 0.00 C ATOM 363 OD1 ASN A 23 5.772 -8.761 4.358 1.00 0.00 O ATOM 364 ND2 ASN A 23 4.974 -9.907 6.037 1.00 0.00 N ATOM 0 H ASN A 23 6.884 -6.844 4.454 1.00 0.00 H new ATOM 0 HA ASN A 23 8.647 -7.504 6.657 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.651 -8.623 7.468 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.124 -7.161 6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.403 -10.475 5.411 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.949 -10.075 7.043 1.00 0.00 H new ATOM 371 N ASP A 24 8.067 -9.951 4.514 1.00 0.00 N ATOM 372 CA ASP A 24 8.694 -11.228 4.092 1.00 0.00 C ATOM 373 C ASP A 24 10.148 -10.931 3.802 1.00 0.00 C ATOM 374 O ASP A 24 11.002 -11.795 3.833 1.00 0.00 O ATOM 375 CB ASP A 24 7.962 -11.654 2.823 1.00 0.00 C ATOM 376 CG ASP A 24 8.317 -13.105 2.492 1.00 0.00 C ATOM 377 OD1 ASP A 24 9.460 -13.476 2.698 1.00 0.00 O ATOM 378 OD2 ASP A 24 7.438 -13.819 2.039 1.00 0.00 O ATOM 0 H ASP A 24 7.241 -9.665 3.988 1.00 0.00 H new ATOM 0 HA ASP A 24 8.634 -12.017 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.885 -11.554 2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.239 -11.002 1.994 1.00 0.00 H new ATOM 383 N LEU A 25 10.430 -9.689 3.537 1.00 0.00 N ATOM 384 CA LEU A 25 11.809 -9.285 3.260 1.00 0.00 C ATOM 385 C LEU A 25 12.523 -8.988 4.553 1.00 0.00 C ATOM 386 O LEU A 25 13.549 -9.546 4.886 1.00 0.00 O ATOM 387 CB LEU A 25 11.689 -7.985 2.455 1.00 0.00 C ATOM 388 CG LEU A 25 12.862 -7.020 2.771 1.00 0.00 C ATOM 389 CD1 LEU A 25 13.845 -6.981 1.616 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.315 -5.619 3.036 1.00 0.00 C ATOM 0 H LEU A 25 9.745 -8.934 3.503 1.00 0.00 H new ATOM 0 HA LEU A 25 12.362 -10.062 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.679 -8.214 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.742 -7.498 2.685 1.00 0.00 H new ATOM 0 HG LEU A 25 13.384 -7.380 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.661 -6.299 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.246 -7.980 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.336 -6.636 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.140 -4.942 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.781 -5.264 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.632 -5.650 3.885 1.00 0.00 H new ATOM 402 N LEU A 26 12.005 -8.014 5.219 1.00 0.00 N ATOM 403 CA LEU A 26 12.628 -7.519 6.430 1.00 0.00 C ATOM 404 C LEU A 26 12.458 -8.483 7.593 1.00 0.00 C ATOM 405 O LEU A 26 13.074 -8.323 8.628 1.00 0.00 O ATOM 406 CB LEU A 26 11.906 -6.209 6.677 1.00 0.00 C ATOM 407 CG LEU A 26 12.158 -5.784 8.092 1.00 0.00 C ATOM 408 CD1 LEU A 26 13.642 -5.531 8.242 1.00 0.00 C ATOM 409 CD2 LEU A 26 11.380 -4.508 8.398 1.00 0.00 C ATOM 0 H LEU A 26 11.146 -7.532 4.955 1.00 0.00 H new ATOM 0 HA LEU A 26 13.707 -7.401 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.260 -5.446 5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.837 -6.328 6.502 1.00 0.00 H new ATOM 0 HG LEU A 26 11.832 -6.559 8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.856 -5.219 9.264 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.191 -6.446 8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.949 -4.746 7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.568 -4.205 9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.701 -3.715 7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.314 -4.690 8.262 1.00 0.00 H new ATOM 421 N GLN A 27 11.671 -9.499 7.437 1.00 0.00 N ATOM 422 CA GLN A 27 11.534 -10.455 8.535 1.00 0.00 C ATOM 423 C GLN A 27 12.869 -11.187 8.666 1.00 0.00 C ATOM 424 O GLN A 27 13.084 -11.963 9.576 1.00 0.00 O ATOM 425 CB GLN A 27 10.424 -11.394 8.088 1.00 0.00 C ATOM 426 CG GLN A 27 9.080 -10.679 8.220 1.00 0.00 C ATOM 427 CD GLN A 27 8.432 -11.003 9.564 1.00 0.00 C ATOM 428 OE1 GLN A 27 8.544 -12.106 10.062 1.00 0.00 O ATOM 429 NE2 GLN A 27 7.750 -10.073 10.172 1.00 0.00 N ATOM 0 H GLN A 27 11.124 -9.701 6.600 1.00 0.00 H new ATOM 0 HA GLN A 27 11.295 -10.009 9.501 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.586 -11.703 7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.430 -12.299 8.696 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.224 -9.602 8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.419 -10.982 7.408 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.659 -9.149 9.750 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.308 -10.269 11.070 1.00 0.00 H new ATOM 438 N ALA A 28 13.771 -10.948 7.734 1.00 0.00 N ATOM 439 CA ALA A 28 15.082 -11.629 7.773 1.00 0.00 C ATOM 440 C ALA A 28 16.256 -10.642 7.883 1.00 0.00 C ATOM 441 O ALA A 28 17.342 -11.040 8.255 1.00 0.00 O ATOM 442 CB ALA A 28 15.166 -12.385 6.451 1.00 0.00 C ATOM 0 H ALA A 28 13.641 -10.306 6.952 1.00 0.00 H new ATOM 0 HA ALA A 28 15.155 -12.275 8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.114 -12.921 6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.343 -13.096 6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.102 -11.679 5.623 1.00 0.00 H new ATOM 448 N VAL A 29 16.103 -9.368 7.566 1.00 0.00 N ATOM 449 CA VAL A 29 17.299 -8.487 7.689 1.00 0.00 C ATOM 450 C VAL A 29 17.183 -7.598 8.912 1.00 0.00 C ATOM 451 O VAL A 29 17.974 -6.700 9.108 1.00 0.00 O ATOM 452 CB VAL A 29 17.386 -7.687 6.373 1.00 0.00 C ATOM 453 CG1 VAL A 29 15.989 -7.385 5.833 1.00 0.00 C ATOM 454 CG2 VAL A 29 18.129 -6.369 6.607 1.00 0.00 C ATOM 0 H VAL A 29 15.242 -8.926 7.244 1.00 0.00 H new ATOM 0 HA VAL A 29 18.215 -9.059 7.833 1.00 0.00 H new ATOM 0 HB VAL A 29 17.928 -8.290 5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.072 -6.820 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.462 -8.320 5.643 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.434 -6.799 6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 29 18.185 -5.812 5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.595 -5.777 7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 29 19.137 -6.578 6.966 1.00 0.00 H new ATOM 464 N ASP A 30 16.240 -7.868 9.766 1.00 0.00 N ATOM 465 CA ASP A 30 16.131 -7.046 10.995 1.00 0.00 C ATOM 466 C ASP A 30 16.258 -5.586 10.632 1.00 0.00 C ATOM 467 O ASP A 30 17.350 -5.059 10.541 1.00 0.00 O ATOM 468 CB ASP A 30 17.337 -7.465 11.814 1.00 0.00 C ATOM 469 CG ASP A 30 16.966 -8.634 12.728 1.00 0.00 C ATOM 470 OD1 ASP A 30 16.492 -9.634 12.214 1.00 0.00 O ATOM 471 OD2 ASP A 30 17.162 -8.511 13.925 1.00 0.00 O ATOM 0 H ASP A 30 15.549 -8.612 9.668 1.00 0.00 H new ATOM 0 HA ASP A 30 15.186 -7.181 11.520 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.154 -7.754 11.153 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.692 -6.625 12.410 1.00 0.00 H new ATOM 476 N SER A 31 15.190 -4.918 10.378 1.00 0.00 N ATOM 477 CA SER A 31 15.361 -3.526 9.966 1.00 0.00 C ATOM 478 C SER A 31 14.030 -2.788 10.059 1.00 0.00 C ATOM 479 O SER A 31 13.473 -2.358 9.071 1.00 0.00 O ATOM 480 CB SER A 31 15.848 -3.723 8.532 1.00 0.00 C ATOM 481 OG SER A 31 16.908 -2.827 8.266 1.00 0.00 O ATOM 0 H SER A 31 14.232 -5.264 10.436 1.00 0.00 H new ATOM 0 HA SER A 31 16.039 -2.922 10.569 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.182 -4.751 8.388 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.030 -3.553 7.832 1.00 0.00 H new ATOM 0 HG SER A 31 16.866 -2.540 7.330 1.00 0.00 H new ATOM 487 N GLN A 32 13.517 -2.647 11.251 1.00 0.00 N ATOM 488 CA GLN A 32 12.214 -1.957 11.419 1.00 0.00 C ATOM 489 C GLN A 32 12.198 -0.660 10.620 1.00 0.00 C ATOM 490 O GLN A 32 11.157 -0.144 10.296 1.00 0.00 O ATOM 491 CB GLN A 32 12.092 -1.672 12.914 1.00 0.00 C ATOM 492 CG GLN A 32 10.615 -1.644 13.293 1.00 0.00 C ATOM 493 CD GLN A 32 10.394 -2.521 14.517 1.00 0.00 C ATOM 494 OE1 GLN A 32 11.266 -2.654 15.353 1.00 0.00 O ATOM 495 NE2 GLN A 32 9.256 -3.131 14.660 1.00 0.00 N ATOM 0 H GLN A 32 13.947 -2.981 12.114 1.00 0.00 H new ATOM 0 HA GLN A 32 11.382 -2.562 11.058 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.614 -2.438 13.488 1.00 0.00 H new ATOM 0 HB3 GLN A 32 12.561 -0.718 13.155 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.301 -0.622 13.502 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.007 -2.000 12.461 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.525 -3.018 13.957 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.093 -3.723 15.475 1.00 0.00 H new ATOM 504 N GLU A 33 13.334 -0.132 10.277 1.00 0.00 N ATOM 505 CA GLU A 33 13.333 1.116 9.474 1.00 0.00 C ATOM 506 C GLU A 33 12.681 0.833 8.120 1.00 0.00 C ATOM 507 O GLU A 33 12.050 1.688 7.533 1.00 0.00 O ATOM 508 CB GLU A 33 14.801 1.491 9.310 1.00 0.00 C ATOM 509 CG GLU A 33 15.518 1.352 10.655 1.00 0.00 C ATOM 510 CD GLU A 33 16.725 2.291 10.692 1.00 0.00 C ATOM 511 OE1 GLU A 33 16.538 3.451 11.022 1.00 0.00 O ATOM 512 OE2 GLU A 33 17.815 1.835 10.390 1.00 0.00 O ATOM 0 H GLU A 33 14.253 -0.505 10.514 1.00 0.00 H new ATOM 0 HA GLU A 33 12.775 1.926 9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.271 0.846 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.887 2.514 8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.834 1.590 11.470 1.00 0.00 H new ATOM 0 HG3 GLU A 33 15.841 0.321 10.801 1.00 0.00 H new ATOM 519 N VAL A 34 12.812 -0.375 7.632 1.00 0.00 N ATOM 520 CA VAL A 34 12.177 -0.720 6.329 1.00 0.00 C ATOM 521 C VAL A 34 10.675 -0.942 6.559 1.00 0.00 C ATOM 522 O VAL A 34 9.849 -0.490 5.792 1.00 0.00 O ATOM 523 CB VAL A 34 12.915 -1.991 5.838 1.00 0.00 C ATOM 524 CG1 VAL A 34 11.925 -3.078 5.416 1.00 0.00 C ATOM 525 CG2 VAL A 34 13.772 -1.628 4.624 1.00 0.00 C ATOM 0 H VAL A 34 13.329 -1.132 8.079 1.00 0.00 H new ATOM 0 HA VAL A 34 12.258 0.062 5.574 1.00 0.00 H new ATOM 0 HB VAL A 34 13.528 -2.368 6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.473 -3.957 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.297 -3.347 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.299 -2.705 4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.296 -2.516 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.133 -1.243 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.499 -0.866 4.906 1.00 0.00 H new ATOM 535 N ARG A 35 10.312 -1.594 7.631 1.00 0.00 N ATOM 536 CA ARG A 35 8.867 -1.787 7.920 1.00 0.00 C ATOM 537 C ARG A 35 8.312 -0.473 8.453 1.00 0.00 C ATOM 538 O ARG A 35 7.266 -0.008 8.044 1.00 0.00 O ATOM 539 CB ARG A 35 8.831 -2.846 8.998 1.00 0.00 C ATOM 540 CG ARG A 35 8.210 -4.128 8.449 1.00 0.00 C ATOM 541 CD ARG A 35 7.432 -4.808 9.566 1.00 0.00 C ATOM 542 NE ARG A 35 6.687 -5.916 8.902 1.00 0.00 N ATOM 543 CZ ARG A 35 6.195 -6.901 9.607 1.00 0.00 C ATOM 544 NH1 ARG A 35 6.650 -7.151 10.806 1.00 0.00 N ATOM 545 NH2 ARG A 35 5.242 -7.643 9.111 1.00 0.00 N ATOM 0 H ARG A 35 10.952 -1.998 8.314 1.00 0.00 H new ATOM 0 HA ARG A 35 8.281 -2.080 7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.841 -3.046 9.357 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.254 -2.489 9.851 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.549 -3.900 7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.987 -4.792 8.070 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.101 -5.190 10.337 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.750 -4.111 10.053 1.00 0.00 H new ATOM 0 HE ARG A 35 6.560 -5.905 7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.395 -6.576 11.199 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.260 -7.922 11.349 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.883 -7.454 8.175 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.857 -8.412 9.659 1.00 0.00 H new ATOM 559 N ASP A 36 9.042 0.155 9.339 1.00 0.00 N ATOM 560 CA ASP A 36 8.599 1.465 9.867 1.00 0.00 C ATOM 561 C ASP A 36 8.418 2.370 8.665 1.00 0.00 C ATOM 562 O ASP A 36 7.598 3.264 8.640 1.00 0.00 O ATOM 563 CB ASP A 36 9.746 1.964 10.751 1.00 0.00 C ATOM 564 CG ASP A 36 9.286 3.187 11.548 1.00 0.00 C ATOM 565 OD1 ASP A 36 8.550 3.987 10.995 1.00 0.00 O ATOM 566 OD2 ASP A 36 9.681 3.305 12.696 1.00 0.00 O ATOM 0 H ASP A 36 9.925 -0.189 9.715 1.00 0.00 H new ATOM 0 HA ASP A 36 7.672 1.427 10.439 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.065 1.174 11.430 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.607 2.222 10.135 1.00 0.00 H new ATOM 571 N TYR A 37 9.175 2.082 7.649 1.00 0.00 N ATOM 572 CA TYR A 37 9.095 2.823 6.389 1.00 0.00 C ATOM 573 C TYR A 37 7.891 2.291 5.630 1.00 0.00 C ATOM 574 O TYR A 37 7.024 3.023 5.207 1.00 0.00 O ATOM 575 CB TYR A 37 10.401 2.471 5.683 1.00 0.00 C ATOM 576 CG TYR A 37 10.187 2.560 4.202 1.00 0.00 C ATOM 577 CD1 TYR A 37 9.578 1.496 3.540 1.00 0.00 C ATOM 578 CD2 TYR A 37 10.534 3.721 3.507 1.00 0.00 C ATOM 579 CE1 TYR A 37 9.306 1.583 2.184 1.00 0.00 C ATOM 580 CE2 TYR A 37 10.275 3.808 2.139 1.00 0.00 C ATOM 581 CZ TYR A 37 9.657 2.744 1.476 1.00 0.00 C ATOM 582 OH TYR A 37 9.381 2.851 0.128 1.00 0.00 O ATOM 0 H TYR A 37 9.868 1.334 7.652 1.00 0.00 H new ATOM 0 HA TYR A 37 8.978 3.902 6.490 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.193 3.153 5.992 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.720 1.466 5.959 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.317 0.601 4.085 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.000 4.546 4.025 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.826 0.761 1.674 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.552 4.697 1.592 1.00 0.00 H new ATOM 0 HH TYR A 37 10.218 2.962 -0.369 1.00 0.00 H new ATOM 592 N CYS A 38 7.834 1.002 5.489 1.00 0.00 N ATOM 593 CA CYS A 38 6.702 0.366 4.783 1.00 0.00 C ATOM 594 C CYS A 38 5.386 0.871 5.371 1.00 0.00 C ATOM 595 O CYS A 38 4.504 1.307 4.660 1.00 0.00 O ATOM 596 CB CYS A 38 6.916 -1.119 5.046 1.00 0.00 C ATOM 597 SG CYS A 38 5.896 -2.100 3.934 1.00 0.00 S ATOM 0 H CYS A 38 8.538 0.353 5.840 1.00 0.00 H new ATOM 0 HA CYS A 38 6.656 0.586 3.717 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.967 -1.373 4.906 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.666 -1.352 6.081 1.00 0.00 H new ATOM 0 HG CYS A 38 5.103 -1.315 3.266 1.00 0.00 H new ATOM 603 N GLU A 39 5.257 0.854 6.666 1.00 0.00 N ATOM 604 CA GLU A 39 4.015 1.377 7.280 1.00 0.00 C ATOM 605 C GLU A 39 4.046 2.899 7.188 1.00 0.00 C ATOM 606 O GLU A 39 3.056 3.565 7.411 1.00 0.00 O ATOM 607 CB GLU A 39 4.071 0.921 8.734 1.00 0.00 C ATOM 608 CG GLU A 39 5.384 1.403 9.342 1.00 0.00 C ATOM 609 CD GLU A 39 5.093 2.429 10.439 1.00 0.00 C ATOM 610 OE1 GLU A 39 4.215 2.171 11.246 1.00 0.00 O ATOM 611 OE2 GLU A 39 5.751 3.457 10.451 1.00 0.00 O ATOM 0 H GLU A 39 5.956 0.502 7.321 1.00 0.00 H new ATOM 0 HA GLU A 39 3.105 1.026 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.225 1.325 9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.002 -0.165 8.793 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.937 0.559 9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.012 1.848 8.571 1.00 0.00 H new ATOM 618 N LYS A 40 5.169 3.456 6.799 1.00 0.00 N ATOM 619 CA LYS A 40 5.225 4.922 6.631 1.00 0.00 C ATOM 620 C LYS A 40 4.747 5.175 5.228 1.00 0.00 C ATOM 621 O LYS A 40 4.063 6.130 4.919 1.00 0.00 O ATOM 622 CB LYS A 40 6.690 5.327 6.757 1.00 0.00 C ATOM 623 CG LYS A 40 6.806 6.842 6.621 1.00 0.00 C ATOM 624 CD LYS A 40 8.022 7.309 7.410 1.00 0.00 C ATOM 625 CE LYS A 40 8.824 8.309 6.576 1.00 0.00 C ATOM 626 NZ LYS A 40 7.933 9.493 6.431 1.00 0.00 N ATOM 0 H LYS A 40 6.034 2.956 6.595 1.00 0.00 H new ATOM 0 HA LYS A 40 4.628 5.473 7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.087 5.005 7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.283 4.834 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.906 7.121 5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.904 7.326 6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.705 7.772 8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.647 6.456 7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.758 8.576 7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.086 7.891 5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.504 10.331 6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.246 9.320 5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.426 9.657 7.324 1.00 0.00 H new ATOM 640 N LYS A 41 5.107 4.258 4.384 1.00 0.00 N ATOM 641 CA LYS A 41 4.705 4.316 2.975 1.00 0.00 C ATOM 642 C LYS A 41 3.213 4.161 2.923 1.00 0.00 C ATOM 643 O LYS A 41 2.472 5.002 2.455 1.00 0.00 O ATOM 644 CB LYS A 41 5.306 3.074 2.358 1.00 0.00 C ATOM 645 CG LYS A 41 6.808 2.985 2.528 1.00 0.00 C ATOM 646 CD LYS A 41 7.412 4.358 2.761 1.00 0.00 C ATOM 647 CE LYS A 41 7.642 5.042 1.417 1.00 0.00 C ATOM 648 NZ LYS A 41 7.939 6.463 1.751 1.00 0.00 N ATOM 0 H LYS A 41 5.680 3.450 4.628 1.00 0.00 H new ATOM 0 HA LYS A 41 5.013 5.237 2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.844 2.194 2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.066 3.053 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.044 2.333 3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.252 2.535 1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.747 4.960 3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.354 4.267 3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.470 4.582 0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.762 4.963 0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.109 6.997 0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.131 6.877 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.785 6.508 2.354 1.00 0.00 H new ATOM 662 N GLY A 42 2.787 3.056 3.454 1.00 0.00 N ATOM 663 CA GLY A 42 1.351 2.764 3.516 1.00 0.00 C ATOM 664 C GLY A 42 1.031 1.303 3.200 1.00 0.00 C ATOM 665 O GLY A 42 0.192 0.999 2.382 1.00 0.00 O ATOM 0 H GLY A 42 3.390 2.336 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.978 3.006 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.823 3.408 2.812 1.00 0.00 H new ATOM 669 N TRP A 43 1.645 0.400 3.904 1.00 0.00 N ATOM 670 CA TRP A 43 1.314 -1.042 3.722 1.00 0.00 C ATOM 671 C TRP A 43 0.926 -1.482 5.074 1.00 0.00 C ATOM 672 O TRP A 43 -0.097 -2.084 5.330 1.00 0.00 O ATOM 673 CB TRP A 43 2.536 -1.878 3.361 1.00 0.00 C ATOM 674 CG TRP A 43 3.490 -1.192 2.461 1.00 0.00 C ATOM 675 CD1 TRP A 43 3.720 0.122 2.453 1.00 0.00 C ATOM 676 CD2 TRP A 43 4.413 -1.762 1.478 1.00 0.00 C ATOM 677 NE1 TRP A 43 4.670 0.396 1.554 1.00 0.00 N ATOM 678 CE2 TRP A 43 5.153 -0.703 0.936 1.00 0.00 C ATOM 679 CE3 TRP A 43 4.687 -3.057 1.014 1.00 0.00 C ATOM 680 CZ2 TRP A 43 6.131 -0.883 -0.015 1.00 0.00 C ATOM 681 CZ3 TRP A 43 5.678 -3.260 0.043 1.00 0.00 C ATOM 682 CH2 TRP A 43 6.409 -2.174 -0.470 1.00 0.00 C ATOM 0 H TRP A 43 2.364 0.595 4.600 1.00 0.00 H new ATOM 0 HA TRP A 43 0.569 -1.160 2.935 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.055 -2.159 4.277 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.204 -2.802 2.886 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.218 0.849 3.074 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.998 1.341 1.355 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.134 -3.898 1.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.677 -0.037 -0.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.881 -4.259 -0.314 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.179 -2.337 -1.210 1.00 0.00 H new ATOM 693 N ILE A 44 1.783 -1.080 5.949 1.00 0.00 N ATOM 694 CA ILE A 44 1.641 -1.302 7.386 1.00 0.00 C ATOM 695 C ILE A 44 2.178 -2.653 7.795 1.00 0.00 C ATOM 696 O ILE A 44 1.946 -3.125 8.891 1.00 0.00 O ATOM 697 CB ILE A 44 0.171 -1.209 7.707 1.00 0.00 C ATOM 698 CG1 ILE A 44 -0.458 -0.043 6.953 1.00 0.00 C ATOM 699 CG2 ILE A 44 0.034 -0.980 9.209 1.00 0.00 C ATOM 700 CD1 ILE A 44 -1.869 -0.438 6.522 1.00 0.00 C ATOM 0 H ILE A 44 2.632 -0.572 5.700 1.00 0.00 H new ATOM 0 HA ILE A 44 2.214 -0.555 7.935 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.337 -2.126 7.409 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.491 0.843 7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.145 0.212 6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.022 -0.908 9.471 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.486 -1.813 9.747 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.540 -0.054 9.484 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.329 0.389 5.981 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.820 -1.313 5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.466 -0.672 7.403 1.00 0.00 H new ATOM 712 N VAL A 45 2.878 -3.267 6.911 1.00 0.00 N ATOM 713 CA VAL A 45 3.458 -4.609 7.187 1.00 0.00 C ATOM 714 C VAL A 45 3.821 -4.748 8.671 1.00 0.00 C ATOM 715 O VAL A 45 4.875 -4.335 9.102 1.00 0.00 O ATOM 716 CB VAL A 45 4.716 -4.658 6.332 1.00 0.00 C ATOM 717 CG1 VAL A 45 4.346 -4.787 4.851 1.00 0.00 C ATOM 718 CG2 VAL A 45 5.534 -3.383 6.551 1.00 0.00 C ATOM 0 H VAL A 45 3.084 -2.896 5.983 1.00 0.00 H new ATOM 0 HA VAL A 45 2.761 -5.415 6.959 1.00 0.00 H new ATOM 0 HB VAL A 45 5.309 -5.525 6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.255 -4.821 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.775 -5.703 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.744 -3.929 4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.435 -3.419 5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.938 -2.515 6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.813 -3.306 7.602 1.00 0.00 H new ATOM 728 N ASN A 46 2.953 -5.314 9.463 1.00 0.00 N ATOM 729 CA ASN A 46 3.268 -5.453 10.915 1.00 0.00 C ATOM 730 C ASN A 46 2.618 -6.714 11.492 1.00 0.00 C ATOM 731 O ASN A 46 1.533 -7.099 11.106 1.00 0.00 O ATOM 732 CB ASN A 46 2.685 -4.196 11.564 1.00 0.00 C ATOM 733 CG ASN A 46 2.571 -4.402 13.075 1.00 0.00 C ATOM 734 OD1 ASN A 46 3.309 -5.174 13.653 1.00 0.00 O ATOM 735 ND2 ASN A 46 1.668 -3.738 13.742 1.00 0.00 N ATOM 0 H ASN A 46 2.048 -5.683 9.173 1.00 0.00 H new ATOM 0 HA ASN A 46 4.339 -5.549 11.096 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.321 -3.337 11.351 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.704 -3.979 11.142 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.581 -3.867 14.750 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.049 -3.090 13.256 1.00 0.00 H new ATOM 1216 N THR B 15 14.127 -15.488 -9.893 1.00 0.00 N ATOM 1217 CA THR B 15 14.830 -14.246 -9.461 1.00 0.00 C ATOM 1218 C THR B 15 14.117 -13.008 -10.020 1.00 0.00 C ATOM 1219 O THR B 15 14.172 -12.740 -11.202 1.00 0.00 O ATOM 1220 CB THR B 15 16.237 -14.363 -10.043 1.00 0.00 C ATOM 1221 OG1 THR B 15 16.165 -14.834 -11.381 1.00 0.00 O ATOM 1222 CG2 THR B 15 17.057 -15.336 -9.193 1.00 0.00 C ATOM 0 HA THR B 15 14.846 -14.139 -8.376 1.00 0.00 H new ATOM 0 HB THR B 15 16.716 -13.384 -10.037 1.00 0.00 H new ATOM 0 HG1 THR B 15 15.421 -15.467 -11.466 1.00 0.00 H new ATOM 0 HG21 THR B 15 18.062 -15.422 -9.606 1.00 0.00 H new ATOM 0 HG22 THR B 15 17.115 -14.965 -8.170 1.00 0.00 H new ATOM 0 HG23 THR B 15 16.578 -16.315 -9.197 1.00 0.00 H new ATOM 1230 N SER B 16 13.446 -12.252 -9.182 1.00 0.00 N ATOM 1231 CA SER B 16 12.738 -11.032 -9.682 1.00 0.00 C ATOM 1232 C SER B 16 13.790 -10.050 -10.290 1.00 0.00 C ATOM 1233 O SER B 16 14.484 -10.478 -11.189 1.00 0.00 O ATOM 1234 CB SER B 16 11.950 -10.518 -8.475 1.00 0.00 C ATOM 1235 OG SER B 16 11.060 -11.536 -8.038 1.00 0.00 O ATOM 0 H SER B 16 13.359 -12.426 -8.181 1.00 0.00 H new ATOM 0 HA SER B 16 12.035 -11.198 -10.498 1.00 0.00 H new ATOM 0 HB2 SER B 16 12.631 -10.242 -7.670 1.00 0.00 H new ATOM 0 HB3 SER B 16 11.393 -9.620 -8.743 1.00 0.00 H new ATOM 0 HG SER B 16 10.552 -11.216 -7.264 1.00 0.00 H new ATOM 1241 N PRO B 17 13.949 -8.780 -9.878 1.00 0.00 N ATOM 1242 CA PRO B 17 13.240 -8.033 -8.823 1.00 0.00 C ATOM 1243 C PRO B 17 12.366 -6.953 -9.450 1.00 0.00 C ATOM 1244 O PRO B 17 12.343 -5.838 -8.967 1.00 0.00 O ATOM 1245 CB PRO B 17 14.399 -7.305 -8.151 1.00 0.00 C ATOM 1246 CG PRO B 17 15.455 -7.191 -9.208 1.00 0.00 C ATOM 1247 CD PRO B 17 14.914 -7.866 -10.428 1.00 0.00 C ATOM 0 HA PRO B 17 12.620 -8.664 -8.186 1.00 0.00 H new ATOM 0 HB2 PRO B 17 14.092 -6.322 -7.793 1.00 0.00 H new ATOM 0 HB3 PRO B 17 14.765 -7.860 -7.287 1.00 0.00 H new ATOM 0 HG2 PRO B 17 15.686 -6.146 -9.414 1.00 0.00 H new ATOM 0 HG3 PRO B 17 16.382 -7.664 -8.882 1.00 0.00 H new ATOM 0 HD2 PRO B 17 14.454 -7.155 -11.114 1.00 0.00 H new ATOM 0 HD3 PRO B 17 15.694 -8.386 -10.983 1.00 0.00 H new ATOM 1255 N PRO B 18 11.713 -7.272 -10.526 1.00 0.00 N ATOM 1256 CA PRO B 18 10.905 -6.250 -11.203 1.00 0.00 C ATOM 1257 C PRO B 18 9.770 -5.720 -10.304 1.00 0.00 C ATOM 1258 O PRO B 18 9.401 -4.570 -10.435 1.00 0.00 O ATOM 1259 CB PRO B 18 10.441 -6.948 -12.475 1.00 0.00 C ATOM 1260 CG PRO B 18 10.486 -8.401 -12.157 1.00 0.00 C ATOM 1261 CD PRO B 18 11.643 -8.569 -11.211 1.00 0.00 C ATOM 0 HA PRO B 18 11.456 -5.339 -11.438 1.00 0.00 H new ATOM 0 HB2 PRO B 18 9.434 -6.636 -12.751 1.00 0.00 H new ATOM 0 HB3 PRO B 18 11.091 -6.708 -13.316 1.00 0.00 H new ATOM 0 HG2 PRO B 18 9.554 -8.732 -11.699 1.00 0.00 H new ATOM 0 HG3 PRO B 18 10.627 -8.996 -13.059 1.00 0.00 H new ATOM 0 HD2 PRO B 18 11.473 -9.385 -10.509 1.00 0.00 H new ATOM 0 HD3 PRO B 18 12.568 -8.793 -11.743 1.00 0.00 H new ATOM 1269 N PRO B 19 9.289 -6.513 -9.366 1.00 0.00 N ATOM 1270 CA PRO B 19 8.270 -5.991 -8.440 1.00 0.00 C ATOM 1271 C PRO B 19 9.025 -5.230 -7.348 1.00 0.00 C ATOM 1272 O PRO B 19 9.189 -5.699 -6.242 1.00 0.00 O ATOM 1273 CB PRO B 19 7.586 -7.241 -7.899 1.00 0.00 C ATOM 1274 CG PRO B 19 8.592 -8.341 -8.039 1.00 0.00 C ATOM 1275 CD PRO B 19 9.615 -7.917 -9.069 1.00 0.00 C ATOM 0 HA PRO B 19 7.535 -5.316 -8.878 1.00 0.00 H new ATOM 0 HB2 PRO B 19 7.293 -7.108 -6.858 1.00 0.00 H new ATOM 0 HB3 PRO B 19 6.679 -7.466 -8.460 1.00 0.00 H new ATOM 0 HG2 PRO B 19 9.075 -8.538 -7.082 1.00 0.00 H new ATOM 0 HG3 PRO B 19 8.104 -9.266 -8.346 1.00 0.00 H new ATOM 0 HD2 PRO B 19 10.629 -8.014 -8.682 1.00 0.00 H new ATOM 0 HD3 PRO B 19 9.554 -8.535 -9.965 1.00 0.00 H new ATOM 1283 N GLU B 20 9.545 -4.083 -7.709 1.00 0.00 N ATOM 1284 CA GLU B 20 10.377 -3.253 -6.778 1.00 0.00 C ATOM 1285 C GLU B 20 9.696 -2.937 -5.441 1.00 0.00 C ATOM 1286 O GLU B 20 9.606 -1.792 -5.055 1.00 0.00 O ATOM 1287 CB GLU B 20 10.626 -1.948 -7.541 1.00 0.00 C ATOM 1288 CG GLU B 20 9.336 -1.492 -8.228 1.00 0.00 C ATOM 1289 CD GLU B 20 9.365 0.026 -8.406 1.00 0.00 C ATOM 1290 OE1 GLU B 20 9.940 0.477 -9.383 1.00 0.00 O ATOM 1291 OE2 GLU B 20 8.814 0.713 -7.561 1.00 0.00 O ATOM 0 H GLU B 20 9.425 -3.675 -8.636 1.00 0.00 H new ATOM 0 HA GLU B 20 11.282 -3.799 -6.511 1.00 0.00 H new ATOM 0 HB2 GLU B 20 10.975 -1.176 -6.855 1.00 0.00 H new ATOM 0 HB3 GLU B 20 11.411 -2.094 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU B 20 9.234 -1.981 -9.197 1.00 0.00 H new ATOM 0 HG3 GLU B 20 8.471 -1.783 -7.632 1.00 0.00 H new ATOM 1298 N CYS B 21 9.270 -3.915 -4.698 1.00 0.00 N ATOM 1299 CA CYS B 21 8.676 -3.577 -3.368 1.00 0.00 C ATOM 1300 C CYS B 21 9.812 -3.361 -2.365 1.00 0.00 C ATOM 1301 O CYS B 21 9.696 -2.584 -1.439 1.00 0.00 O ATOM 1302 CB CYS B 21 7.715 -4.700 -2.899 1.00 0.00 C ATOM 1303 SG CYS B 21 7.836 -6.200 -3.916 1.00 0.00 S ATOM 0 H CYS B 21 9.302 -4.906 -4.938 1.00 0.00 H new ATOM 0 HA CYS B 21 8.088 -2.662 -3.445 1.00 0.00 H new ATOM 0 HB2 CYS B 21 7.936 -4.951 -1.862 1.00 0.00 H new ATOM 0 HB3 CYS B 21 6.690 -4.330 -2.926 1.00 0.00 H new ATOM 0 HG CYS B 21 8.062 -5.869 -5.153 1.00 0.00 H new ATOM 1309 N ILE B 22 10.922 -4.034 -2.554 1.00 0.00 N ATOM 1310 CA ILE B 22 12.077 -3.852 -1.619 1.00 0.00 C ATOM 1311 C ILE B 22 12.836 -2.588 -1.973 1.00 0.00 C ATOM 1312 O ILE B 22 13.032 -1.720 -1.161 1.00 0.00 O ATOM 1313 CB ILE B 22 13.013 -5.042 -1.837 1.00 0.00 C ATOM 1314 CG1 ILE B 22 12.316 -6.393 -1.615 1.00 0.00 C ATOM 1315 CG2 ILE B 22 14.186 -4.929 -0.873 1.00 0.00 C ATOM 1316 CD1 ILE B 22 10.897 -6.223 -1.049 1.00 0.00 C ATOM 0 H ILE B 22 11.078 -4.699 -3.312 1.00 0.00 H new ATOM 0 HA ILE B 22 11.726 -3.784 -0.589 1.00 0.00 H new ATOM 0 HB ILE B 22 13.346 -5.011 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE B 22 12.267 -6.935 -2.559 1.00 0.00 H new ATOM 0 HG13 ILE B 22 12.909 -6.999 -0.930 1.00 0.00 H new ATOM 0 HG21 ILE B 22 14.860 -5.773 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE B 22 14.723 -3.999 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE B 22 13.816 -4.934 0.152 1.00 0.00 H new ATOM 0 HD11 ILE B 22 10.442 -7.203 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE B 22 10.947 -5.705 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE B 22 10.295 -5.640 -1.746 1.00 0.00 H new ATOM 1328 N ASN B 23 13.292 -2.484 -3.180 1.00 0.00 N ATOM 1329 CA ASN B 23 14.051 -1.260 -3.544 1.00 0.00 C ATOM 1330 C ASN B 23 13.138 -0.042 -3.415 1.00 0.00 C ATOM 1331 O ASN B 23 13.458 0.903 -2.730 1.00 0.00 O ATOM 1332 CB ASN B 23 14.529 -1.454 -4.982 1.00 0.00 C ATOM 1333 CG ASN B 23 13.344 -1.492 -5.934 1.00 0.00 C ATOM 1334 OD1 ASN B 23 12.370 -2.162 -5.673 1.00 0.00 O ATOM 1335 ND2 ASN B 23 13.388 -0.789 -7.035 1.00 0.00 N ATOM 0 H ASN B 23 13.178 -3.176 -3.921 1.00 0.00 H new ATOM 0 HA ASN B 23 14.905 -1.095 -2.887 1.00 0.00 H new ATOM 0 HB2 ASN B 23 15.202 -0.643 -5.261 1.00 0.00 H new ATOM 0 HB3 ASN B 23 15.097 -2.381 -5.061 1.00 0.00 H new ATOM 0 HD21 ASN B 23 12.598 -0.803 -7.681 1.00 0.00 H new ATOM 0 HD22 ASN B 23 14.212 -0.227 -7.249 1.00 0.00 H new ATOM 1342 N ASP B 24 11.972 -0.065 -4.001 1.00 0.00 N ATOM 1343 CA ASP B 24 11.071 1.101 -3.835 1.00 0.00 C ATOM 1344 C ASP B 24 10.909 1.336 -2.349 1.00 0.00 C ATOM 1345 O ASP B 24 10.590 2.416 -1.895 1.00 0.00 O ATOM 1346 CB ASP B 24 9.744 0.697 -4.470 1.00 0.00 C ATOM 1347 CG ASP B 24 8.870 1.939 -4.657 1.00 0.00 C ATOM 1348 OD1 ASP B 24 8.625 2.620 -3.674 1.00 0.00 O ATOM 1349 OD2 ASP B 24 8.463 2.189 -5.779 1.00 0.00 O ATOM 0 H ASP B 24 11.613 -0.827 -4.576 1.00 0.00 H new ATOM 0 HA ASP B 24 11.447 2.014 -4.297 1.00 0.00 H new ATOM 0 HB2 ASP B 24 9.920 0.215 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP B 24 9.232 -0.029 -3.838 1.00 0.00 H new ATOM 1354 N LEU B 25 11.154 0.310 -1.586 1.00 0.00 N ATOM 1355 CA LEU B 25 11.051 0.428 -0.129 1.00 0.00 C ATOM 1356 C LEU B 25 12.355 0.928 0.435 1.00 0.00 C ATOM 1357 O LEU B 25 12.446 1.943 1.098 1.00 0.00 O ATOM 1358 CB LEU B 25 10.818 -1.003 0.368 1.00 0.00 C ATOM 1359 CG LEU B 25 11.473 -1.225 1.759 1.00 0.00 C ATOM 1360 CD1 LEU B 25 10.414 -1.277 2.842 1.00 0.00 C ATOM 1361 CD2 LEU B 25 12.272 -2.526 1.755 1.00 0.00 C ATOM 0 H LEU B 25 11.424 -0.613 -1.926 1.00 0.00 H new ATOM 0 HA LEU B 25 10.260 1.116 0.169 1.00 0.00 H new ATOM 0 HB2 LEU B 25 9.748 -1.200 0.431 1.00 0.00 H new ATOM 0 HB3 LEU B 25 11.231 -1.712 -0.349 1.00 0.00 H new ATOM 0 HG LEU B 25 12.143 -0.390 1.965 1.00 0.00 H new ATOM 0 HD11 LEU B 25 10.891 -1.433 3.810 1.00 0.00 H new ATOM 0 HD12 LEU B 25 9.862 -0.337 2.857 1.00 0.00 H new ATOM 0 HD13 LEU B 25 9.727 -2.098 2.640 1.00 0.00 H new ATOM 0 HD21 LEU B 25 12.729 -2.676 2.733 1.00 0.00 H new ATOM 0 HD22 LEU B 25 11.607 -3.361 1.534 1.00 0.00 H new ATOM 0 HD23 LEU B 25 13.052 -2.472 0.995 1.00 0.00 H new ATOM 1373 N LEU B 26 13.342 0.126 0.239 1.00 0.00 N ATOM 1374 CA LEU B 26 14.650 0.387 0.803 1.00 0.00 C ATOM 1375 C LEU B 26 15.337 1.560 0.120 1.00 0.00 C ATOM 1376 O LEU B 26 16.345 2.051 0.587 1.00 0.00 O ATOM 1377 CB LEU B 26 15.386 -0.916 0.563 1.00 0.00 C ATOM 1378 CG LEU B 26 16.858 -0.670 0.699 1.00 0.00 C ATOM 1379 CD1 LEU B 26 17.120 -0.197 2.111 1.00 0.00 C ATOM 1380 CD2 LEU B 26 17.629 -1.961 0.430 1.00 0.00 C ATOM 0 H LEU B 26 13.282 -0.730 -0.312 1.00 0.00 H new ATOM 0 HA LEU B 26 14.614 0.671 1.855 1.00 0.00 H new ATOM 0 HB2 LEU B 26 15.061 -1.671 1.280 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.158 -1.301 -0.431 1.00 0.00 H new ATOM 0 HG LEU B 26 17.186 0.081 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU B 26 18.186 -0.009 2.240 1.00 0.00 H new ATOM 0 HD12 LEU B 26 16.565 0.723 2.296 1.00 0.00 H new ATOM 0 HD13 LEU B 26 16.798 -0.963 2.817 1.00 0.00 H new ATOM 0 HD21 LEU B 26 18.698 -1.774 0.531 1.00 0.00 H new ATOM 0 HD22 LEU B 26 17.325 -2.723 1.148 1.00 0.00 H new ATOM 0 HD23 LEU B 26 17.415 -2.309 -0.581 1.00 0.00 H new ATOM 1392 N GLN B 27 14.795 2.043 -0.955 1.00 0.00 N ATOM 1393 CA GLN B 27 15.419 3.198 -1.605 1.00 0.00 C ATOM 1394 C GLN B 27 15.223 4.404 -0.688 1.00 0.00 C ATOM 1395 O GLN B 27 15.730 5.480 -0.935 1.00 0.00 O ATOM 1396 CB GLN B 27 14.654 3.362 -2.907 1.00 0.00 C ATOM 1397 CG GLN B 27 15.091 2.274 -3.885 1.00 0.00 C ATOM 1398 CD GLN B 27 16.170 2.803 -4.824 1.00 0.00 C ATOM 1399 OE1 GLN B 27 16.172 3.964 -5.180 1.00 0.00 O ATOM 1400 NE2 GLN B 27 17.096 1.985 -5.240 1.00 0.00 N ATOM 0 H GLN B 27 13.952 1.685 -1.403 1.00 0.00 H new ATOM 0 HA GLN B 27 16.487 3.088 -1.794 1.00 0.00 H new ATOM 0 HB2 GLN B 27 13.582 3.294 -2.724 1.00 0.00 H new ATOM 0 HB3 GLN B 27 14.843 4.348 -3.332 1.00 0.00 H new ATOM 0 HG2 GLN B 27 15.470 1.413 -3.335 1.00 0.00 H new ATOM 0 HG3 GLN B 27 14.233 1.931 -4.464 1.00 0.00 H new ATOM 0 HE21 GLN B 27 17.089 1.011 -4.938 1.00 0.00 H new ATOM 0 HE22 GLN B 27 17.827 2.319 -5.868 1.00 0.00 H new ATOM 1409 N ALA B 28 14.463 4.226 0.374 1.00 0.00 N ATOM 1410 CA ALA B 28 14.208 5.349 1.299 1.00 0.00 C ATOM 1411 C ALA B 28 14.732 5.067 2.716 1.00 0.00 C ATOM 1412 O ALA B 28 14.940 5.992 3.475 1.00 0.00 O ATOM 1413 CB ALA B 28 12.688 5.495 1.326 1.00 0.00 C ATOM 0 H ALA B 28 14.015 3.345 0.627 1.00 0.00 H new ATOM 0 HA ALA B 28 14.720 6.251 0.966 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.413 6.312 1.993 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.325 5.710 0.321 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.240 4.568 1.683 1.00 0.00 H new ATOM 1419 N VAL B 29 14.943 3.828 3.120 1.00 0.00 N ATOM 1420 CA VAL B 29 15.433 3.640 4.515 1.00 0.00 C ATOM 1421 C VAL B 29 16.909 3.290 4.528 1.00 0.00 C ATOM 1422 O VAL B 29 17.462 2.964 5.557 1.00 0.00 O ATOM 1423 CB VAL B 29 14.548 2.540 5.137 1.00 0.00 C ATOM 1424 CG1 VAL B 29 14.127 1.518 4.085 1.00 0.00 C ATOM 1425 CG2 VAL B 29 15.300 1.814 6.254 1.00 0.00 C ATOM 0 H VAL B 29 14.803 2.982 2.568 1.00 0.00 H new ATOM 0 HA VAL B 29 15.354 4.555 5.102 1.00 0.00 H new ATOM 0 HB VAL B 29 13.661 3.025 5.544 1.00 0.00 H new ATOM 0 HG11 VAL B 29 13.504 0.753 4.549 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.562 2.018 3.298 1.00 0.00 H new ATOM 0 HG13 VAL B 29 15.014 1.052 3.655 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.660 1.042 6.681 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.201 1.355 5.847 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.575 2.527 7.031 1.00 0.00 H new ATOM 1435 N ASP B 30 17.572 3.407 3.416 1.00 0.00 N ATOM 1436 CA ASP B 30 19.024 3.116 3.423 1.00 0.00 C ATOM 1437 C ASP B 30 19.260 1.804 4.131 1.00 0.00 C ATOM 1438 O ASP B 30 19.366 1.762 5.342 1.00 0.00 O ATOM 1439 CB ASP B 30 19.611 4.243 4.254 1.00 0.00 C ATOM 1440 CG ASP B 30 20.019 5.408 3.350 1.00 0.00 C ATOM 1441 OD1 ASP B 30 19.163 5.910 2.640 1.00 0.00 O ATOM 1442 OD2 ASP B 30 21.180 5.780 3.385 1.00 0.00 O ATOM 0 H ASP B 30 17.178 3.687 2.518 1.00 0.00 H new ATOM 0 HA ASP B 30 19.456 3.047 2.425 1.00 0.00 H new ATOM 0 HB2 ASP B 30 18.880 4.582 4.989 1.00 0.00 H new ATOM 0 HB3 ASP B 30 20.477 3.883 4.809 1.00 0.00 H new ATOM 1447 N SER B 31 19.300 0.720 3.438 1.00 0.00 N ATOM 1448 CA SER B 31 19.464 -0.530 4.181 1.00 0.00 C ATOM 1449 C SER B 31 19.865 -1.661 3.235 1.00 0.00 C ATOM 1450 O SER B 31 19.136 -2.611 3.033 1.00 0.00 O ATOM 1451 CB SER B 31 18.059 -0.683 4.758 1.00 0.00 C ATOM 1452 OG SER B 31 18.142 -1.107 6.103 1.00 0.00 O ATOM 0 H SER B 31 19.229 0.645 2.423 1.00 0.00 H new ATOM 0 HA SER B 31 20.245 -0.544 4.941 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.525 0.265 4.698 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.491 -1.406 4.173 1.00 0.00 H new ATOM 0 HG SER B 31 18.591 -0.418 6.636 1.00 0.00 H new ATOM 1458 N GLN B 32 21.027 -1.552 2.651 1.00 0.00 N ATOM 1459 CA GLN B 32 21.490 -2.597 1.702 1.00 0.00 C ATOM 1460 C GLN B 32 21.294 -3.987 2.300 1.00 0.00 C ATOM 1461 O GLN B 32 21.233 -4.962 1.593 1.00 0.00 O ATOM 1462 CB GLN B 32 22.973 -2.309 1.483 1.00 0.00 C ATOM 1463 CG GLN B 32 23.379 -2.805 0.097 1.00 0.00 C ATOM 1464 CD GLN B 32 24.230 -1.743 -0.591 1.00 0.00 C ATOM 1465 OE1 GLN B 32 25.106 -1.160 0.016 1.00 0.00 O ATOM 1466 NE2 GLN B 32 24.006 -1.466 -1.842 1.00 0.00 N ATOM 0 H GLN B 32 21.677 -0.779 2.793 1.00 0.00 H new ATOM 0 HA GLN B 32 20.930 -2.577 0.767 1.00 0.00 H new ATOM 0 HB2 GLN B 32 23.165 -1.240 1.571 1.00 0.00 H new ATOM 0 HB3 GLN B 32 23.569 -2.804 2.249 1.00 0.00 H new ATOM 0 HG2 GLN B 32 23.938 -3.737 0.181 1.00 0.00 H new ATOM 0 HG3 GLN B 32 22.492 -3.019 -0.499 1.00 0.00 H new ATOM 0 HE21 GLN B 32 23.270 -1.957 -2.349 1.00 0.00 H new ATOM 0 HE22 GLN B 32 24.567 -0.758 -2.316 1.00 0.00 H new ATOM 1475 N GLU B 33 21.167 -4.095 3.590 1.00 0.00 N ATOM 1476 CA GLU B 33 20.947 -5.441 4.175 1.00 0.00 C ATOM 1477 C GLU B 33 19.598 -5.959 3.694 1.00 0.00 C ATOM 1478 O GLU B 33 19.378 -7.146 3.561 1.00 0.00 O ATOM 1479 CB GLU B 33 20.939 -5.234 5.687 1.00 0.00 C ATOM 1480 CG GLU B 33 22.103 -4.324 6.086 1.00 0.00 C ATOM 1481 CD GLU B 33 22.597 -4.706 7.482 1.00 0.00 C ATOM 1482 OE1 GLU B 33 23.039 -5.831 7.646 1.00 0.00 O ATOM 1483 OE2 GLU B 33 22.525 -3.866 8.365 1.00 0.00 O ATOM 0 H GLU B 33 21.205 -3.323 4.255 1.00 0.00 H new ATOM 0 HA GLU B 33 21.711 -6.163 3.886 1.00 0.00 H new ATOM 0 HB2 GLU B 33 19.994 -4.790 5.999 1.00 0.00 H new ATOM 0 HB3 GLU B 33 21.023 -6.194 6.196 1.00 0.00 H new ATOM 0 HG2 GLU B 33 22.914 -4.417 5.364 1.00 0.00 H new ATOM 0 HG3 GLU B 33 21.784 -3.282 6.075 1.00 0.00 H new ATOM 1490 N VAL B 34 18.696 -5.059 3.417 1.00 0.00 N ATOM 1491 CA VAL B 34 17.356 -5.465 2.925 1.00 0.00 C ATOM 1492 C VAL B 34 17.462 -5.811 1.436 1.00 0.00 C ATOM 1493 O VAL B 34 16.918 -6.797 0.979 1.00 0.00 O ATOM 1494 CB VAL B 34 16.464 -4.241 3.203 1.00 0.00 C ATOM 1495 CG1 VAL B 34 15.501 -3.994 2.040 1.00 0.00 C ATOM 1496 CG2 VAL B 34 15.660 -4.499 4.479 1.00 0.00 C ATOM 0 H VAL B 34 18.834 -4.053 3.512 1.00 0.00 H new ATOM 0 HA VAL B 34 16.943 -6.351 3.408 1.00 0.00 H new ATOM 0 HB VAL B 34 17.096 -3.361 3.320 1.00 0.00 H new ATOM 0 HG11 VAL B 34 14.881 -3.125 2.259 1.00 0.00 H new ATOM 0 HG12 VAL B 34 16.070 -3.813 1.128 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.864 -4.868 1.903 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.023 -3.639 4.688 1.00 0.00 H new ATOM 0 HG22 VAL B 34 15.040 -5.386 4.345 1.00 0.00 H new ATOM 0 HG23 VAL B 34 16.343 -4.656 5.314 1.00 0.00 H new ATOM 1506 N ARG B 35 18.196 -5.037 0.686 1.00 0.00 N ATOM 1507 CA ARG B 35 18.376 -5.358 -0.754 1.00 0.00 C ATOM 1508 C ARG B 35 19.381 -6.497 -0.855 1.00 0.00 C ATOM 1509 O ARG B 35 19.186 -7.457 -1.573 1.00 0.00 O ATOM 1510 CB ARG B 35 18.949 -4.099 -1.361 1.00 0.00 C ATOM 1511 CG ARG B 35 17.933 -3.469 -2.311 1.00 0.00 C ATOM 1512 CD ARG B 35 18.685 -2.833 -3.471 1.00 0.00 C ATOM 1513 NE ARG B 35 17.632 -2.478 -4.467 1.00 0.00 N ATOM 1514 CZ ARG B 35 17.829 -1.517 -5.337 1.00 0.00 C ATOM 1515 NH1 ARG B 35 18.827 -0.684 -5.199 1.00 0.00 N ATOM 1516 NH2 ARG B 35 17.019 -1.389 -6.354 1.00 0.00 N ATOM 0 H ARG B 35 18.678 -4.198 1.009 1.00 0.00 H new ATOM 0 HA ARG B 35 17.456 -5.660 -1.255 1.00 0.00 H new ATOM 0 HB2 ARG B 35 19.210 -3.392 -0.574 1.00 0.00 H new ATOM 0 HB3 ARG B 35 19.868 -4.330 -1.899 1.00 0.00 H new ATOM 0 HG2 ARG B 35 17.239 -4.225 -2.679 1.00 0.00 H new ATOM 0 HG3 ARG B 35 17.340 -2.719 -1.788 1.00 0.00 H new ATOM 0 HD2 ARG B 35 19.236 -1.950 -3.147 1.00 0.00 H new ATOM 0 HD3 ARG B 35 19.413 -3.524 -3.896 1.00 0.00 H new ATOM 0 HE ARG B 35 16.749 -2.989 -4.471 1.00 0.00 H new ATOM 0 HH11 ARG B 35 19.464 -0.777 -4.407 1.00 0.00 H new ATOM 0 HH12 ARG B 35 18.969 0.059 -5.883 1.00 0.00 H new ATOM 0 HH21 ARG B 35 16.238 -2.035 -6.468 1.00 0.00 H new ATOM 0 HH22 ARG B 35 17.168 -0.643 -7.034 1.00 0.00 H new ATOM 1530 N ASP B 36 20.441 -6.412 -0.091 1.00 0.00 N ATOM 1531 CA ASP B 36 21.435 -7.508 -0.091 1.00 0.00 C ATOM 1532 C ASP B 36 20.677 -8.767 0.270 1.00 0.00 C ATOM 1533 O ASP B 36 20.997 -9.862 -0.141 1.00 0.00 O ATOM 1534 CB ASP B 36 22.447 -7.153 1.003 1.00 0.00 C ATOM 1535 CG ASP B 36 23.659 -8.079 0.897 1.00 0.00 C ATOM 1536 OD1 ASP B 36 23.464 -9.245 0.596 1.00 0.00 O ATOM 1537 OD2 ASP B 36 24.762 -7.606 1.119 1.00 0.00 O ATOM 0 H ASP B 36 20.654 -5.630 0.528 1.00 0.00 H new ATOM 0 HA ASP B 36 21.947 -7.648 -1.043 1.00 0.00 H new ATOM 0 HB2 ASP B 36 22.760 -6.114 0.900 1.00 0.00 H new ATOM 0 HB3 ASP B 36 21.986 -7.251 1.986 1.00 0.00 H new ATOM 1542 N TYR B 37 19.625 -8.575 1.011 1.00 0.00 N ATOM 1543 CA TYR B 37 18.750 -9.677 1.409 1.00 0.00 C ATOM 1544 C TYR B 37 17.858 -9.993 0.216 1.00 0.00 C ATOM 1545 O TYR B 37 17.769 -11.111 -0.240 1.00 0.00 O ATOM 1546 CB TYR B 37 17.946 -9.103 2.572 1.00 0.00 C ATOM 1547 CG TYR B 37 16.625 -9.805 2.632 1.00 0.00 C ATOM 1548 CD1 TYR B 37 15.608 -9.397 1.773 1.00 0.00 C ATOM 1549 CD2 TYR B 37 16.441 -10.898 3.481 1.00 0.00 C ATOM 1550 CE1 TYR B 37 14.404 -10.080 1.748 1.00 0.00 C ATOM 1551 CE2 TYR B 37 15.222 -11.580 3.473 1.00 0.00 C ATOM 1552 CZ TYR B 37 14.205 -11.178 2.602 1.00 0.00 C ATOM 1553 OH TYR B 37 13.014 -11.879 2.572 1.00 0.00 O ATOM 0 H TYR B 37 19.337 -7.662 1.363 1.00 0.00 H new ATOM 0 HA TYR B 37 19.262 -10.594 1.701 1.00 0.00 H new ATOM 0 HB2 TYR B 37 18.488 -9.236 3.508 1.00 0.00 H new ATOM 0 HB3 TYR B 37 17.799 -8.031 2.438 1.00 0.00 H new ATOM 0 HD1 TYR B 37 15.759 -8.546 1.125 1.00 0.00 H new ATOM 0 HD2 TYR B 37 17.236 -11.214 4.140 1.00 0.00 H new ATOM 0 HE1 TYR B 37 13.620 -9.770 1.074 1.00 0.00 H new ATOM 0 HE2 TYR B 37 15.065 -12.416 4.138 1.00 0.00 H new ATOM 0 HH TYR B 37 12.657 -11.957 3.481 1.00 0.00 H new ATOM 1563 N CYS B 38 17.219 -8.986 -0.300 1.00 0.00 N ATOM 1564 CA CYS B 38 16.331 -9.169 -1.469 1.00 0.00 C ATOM 1565 C CYS B 38 17.079 -9.923 -2.568 1.00 0.00 C ATOM 1566 O CYS B 38 16.598 -10.904 -3.096 1.00 0.00 O ATOM 1567 CB CYS B 38 15.991 -7.740 -1.881 1.00 0.00 C ATOM 1568 SG CYS B 38 14.597 -7.730 -3.024 1.00 0.00 S ATOM 0 H CYS B 38 17.277 -8.029 0.047 1.00 0.00 H new ATOM 0 HA CYS B 38 15.435 -9.755 -1.263 1.00 0.00 H new ATOM 0 HB2 CYS B 38 15.750 -7.148 -0.998 1.00 0.00 H new ATOM 0 HB3 CYS B 38 16.858 -7.274 -2.350 1.00 0.00 H new ATOM 0 HG CYS B 38 14.251 -8.953 -3.297 1.00 0.00 H new ATOM 1574 N GLU B 39 18.267 -9.502 -2.894 1.00 0.00 N ATOM 1575 CA GLU B 39 19.044 -10.235 -3.921 1.00 0.00 C ATOM 1576 C GLU B 39 19.554 -11.527 -3.298 1.00 0.00 C ATOM 1577 O GLU B 39 20.030 -12.412 -3.982 1.00 0.00 O ATOM 1578 CB GLU B 39 20.207 -9.314 -4.270 1.00 0.00 C ATOM 1579 CG GLU B 39 20.965 -8.991 -2.984 1.00 0.00 C ATOM 1580 CD GLU B 39 22.336 -9.671 -3.010 1.00 0.00 C ATOM 1581 OE1 GLU B 39 22.936 -9.710 -4.073 1.00 0.00 O ATOM 1582 OE2 GLU B 39 22.763 -10.140 -1.968 1.00 0.00 O ATOM 0 H GLU B 39 18.730 -8.686 -2.494 1.00 0.00 H new ATOM 0 HA GLU B 39 18.462 -10.489 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU B 39 20.869 -9.794 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU B 39 19.840 -8.399 -4.735 1.00 0.00 H new ATOM 0 HG2 GLU B 39 21.085 -7.912 -2.882 1.00 0.00 H new ATOM 0 HG3 GLU B 39 20.396 -9.332 -2.119 1.00 0.00 H new ATOM 1589 N LYS B 40 19.408 -11.671 -2.004 1.00 0.00 N ATOM 1590 CA LYS B 40 19.832 -12.933 -1.371 1.00 0.00 C ATOM 1591 C LYS B 40 18.643 -13.849 -1.491 1.00 0.00 C ATOM 1592 O LYS B 40 18.744 -15.046 -1.676 1.00 0.00 O ATOM 1593 CB LYS B 40 20.100 -12.624 0.098 1.00 0.00 C ATOM 1594 CG LYS B 40 20.527 -13.904 0.809 1.00 0.00 C ATOM 1595 CD LYS B 40 21.368 -13.530 2.022 1.00 0.00 C ATOM 1596 CE LYS B 40 20.968 -14.404 3.211 1.00 0.00 C ATOM 1597 NZ LYS B 40 21.454 -15.768 2.865 1.00 0.00 N ATOM 0 H LYS B 40 19.017 -10.971 -1.374 1.00 0.00 H new ATOM 0 HA LYS B 40 20.721 -13.377 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS B 40 20.879 -11.867 0.187 1.00 0.00 H new ATOM 0 HB3 LYS B 40 19.204 -12.215 0.566 1.00 0.00 H new ATOM 0 HG2 LYS B 40 19.651 -14.475 1.118 1.00 0.00 H new ATOM 0 HG3 LYS B 40 21.100 -14.539 0.133 1.00 0.00 H new ATOM 0 HD2 LYS B 40 22.426 -13.664 1.799 1.00 0.00 H new ATOM 0 HD3 LYS B 40 21.224 -12.478 2.266 1.00 0.00 H new ATOM 0 HE2 LYS B 40 21.422 -14.046 4.135 1.00 0.00 H new ATOM 0 HE3 LYS B 40 19.889 -14.396 3.362 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 21.451 -16.364 3.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 20.830 -16.187 2.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 22.422 -15.707 2.489 1.00 0.00 H new ATOM 1611 N LYS B 41 17.504 -13.237 -1.407 1.00 0.00 N ATOM 1612 CA LYS B 41 16.235 -13.961 -1.533 1.00 0.00 C ATOM 1613 C LYS B 41 16.125 -14.455 -2.944 1.00 0.00 C ATOM 1614 O LYS B 41 16.031 -15.631 -3.233 1.00 0.00 O ATOM 1615 CB LYS B 41 15.176 -12.900 -1.351 1.00 0.00 C ATOM 1616 CG LYS B 41 15.301 -12.149 -0.046 1.00 0.00 C ATOM 1617 CD LYS B 41 16.052 -12.973 0.986 1.00 0.00 C ATOM 1618 CE LYS B 41 15.085 -13.952 1.643 1.00 0.00 C ATOM 1619 NZ LYS B 41 15.949 -14.935 2.355 1.00 0.00 N ATOM 0 H LYS B 41 17.405 -12.234 -1.251 1.00 0.00 H new ATOM 0 HA LYS B 41 16.148 -14.790 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS B 41 15.236 -12.191 -2.177 1.00 0.00 H new ATOM 0 HB3 LYS B 41 14.192 -13.366 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS B 41 15.822 -11.206 -0.213 1.00 0.00 H new ATOM 0 HG3 LYS B 41 14.309 -11.902 0.332 1.00 0.00 H new ATOM 0 HD2 LYS B 41 16.871 -13.514 0.512 1.00 0.00 H new ATOM 0 HD3 LYS B 41 16.495 -12.320 1.738 1.00 0.00 H new ATOM 0 HE2 LYS B 41 14.417 -13.441 2.336 1.00 0.00 H new ATOM 0 HE3 LYS B 41 14.458 -14.445 0.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 15.352 -15.641 2.831 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 16.569 -15.412 1.670 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 16.530 -14.439 3.061 1.00 0.00 H new ATOM 1633 N GLY B 42 16.173 -13.509 -3.829 1.00 0.00 N ATOM 1634 CA GLY B 42 16.112 -13.823 -5.257 1.00 0.00 C ATOM 1635 C GLY B 42 15.236 -12.845 -6.037 1.00 0.00 C ATOM 1636 O GLY B 42 14.338 -13.227 -6.757 1.00 0.00 O ATOM 0 H GLY B 42 16.253 -12.516 -3.610 1.00 0.00 H new ATOM 0 HA2 GLY B 42 17.120 -13.812 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY B 42 15.726 -14.834 -5.387 1.00 0.00 H new ATOM 1640 N TRP B 43 15.545 -11.588 -5.952 1.00 0.00 N ATOM 1641 CA TRP B 43 14.805 -10.578 -6.760 1.00 0.00 C ATOM 1642 C TRP B 43 15.869 -9.868 -7.491 1.00 0.00 C ATOM 1643 O TRP B 43 15.869 -9.683 -8.690 1.00 0.00 O ATOM 1644 CB TRP B 43 14.142 -9.513 -5.896 1.00 0.00 C ATOM 1645 CG TRP B 43 13.592 -10.023 -4.621 1.00 0.00 C ATOM 1646 CD1 TRP B 43 14.110 -11.026 -3.913 1.00 0.00 C ATOM 1647 CD2 TRP B 43 12.462 -9.526 -3.837 1.00 0.00 C ATOM 1648 NE1 TRP B 43 13.389 -11.194 -2.798 1.00 0.00 N ATOM 1649 CE2 TRP B 43 12.381 -10.305 -2.676 1.00 0.00 C ATOM 1650 CE3 TRP B 43 11.515 -8.502 -4.005 1.00 0.00 C ATOM 1651 CZ2 TRP B 43 11.433 -10.100 -1.702 1.00 0.00 C ATOM 1652 CZ3 TRP B 43 10.541 -8.279 -3.024 1.00 0.00 C ATOM 1653 CH2 TRP B 43 10.500 -9.075 -1.865 1.00 0.00 C ATOM 0 H TRP B 43 16.281 -11.210 -5.356 1.00 0.00 H new ATOM 0 HA TRP B 43 14.039 -11.070 -7.359 1.00 0.00 H new ATOM 0 HB2 TRP B 43 14.871 -8.732 -5.678 1.00 0.00 H new ATOM 0 HB3 TRP B 43 13.337 -9.048 -6.466 1.00 0.00 H new ATOM 0 HD1 TRP B 43 14.974 -11.610 -4.194 1.00 0.00 H new ATOM 0 HE1 TRP B 43 13.582 -11.921 -2.109 1.00 0.00 H new ATOM 0 HE3 TRP B 43 11.538 -7.886 -4.892 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 11.410 -10.725 -0.821 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 9.816 -7.490 -3.158 1.00 0.00 H new ATOM 0 HH2 TRP B 43 9.752 -8.894 -1.107 1.00 0.00 H new ATOM 1664 N ILE B 44 16.816 -9.518 -6.690 1.00 0.00 N ATOM 1665 CA ILE B 44 18.036 -8.837 -7.123 1.00 0.00 C ATOM 1666 C ILE B 44 17.827 -7.344 -7.213 1.00 0.00 C ATOM 1667 O ILE B 44 18.624 -6.623 -7.781 1.00 0.00 O ATOM 1668 CB ILE B 44 18.396 -9.388 -8.481 1.00 0.00 C ATOM 1669 CG1 ILE B 44 18.216 -10.901 -8.495 1.00 0.00 C ATOM 1670 CG2 ILE B 44 19.858 -9.042 -8.754 1.00 0.00 C ATOM 1671 CD1 ILE B 44 17.679 -11.323 -9.863 1.00 0.00 C ATOM 0 H ILE B 44 16.784 -9.692 -5.685 1.00 0.00 H new ATOM 0 HA ILE B 44 18.834 -9.009 -6.401 1.00 0.00 H new ATOM 0 HB ILE B 44 17.750 -8.957 -9.246 1.00 0.00 H new ATOM 0 HG12 ILE B 44 19.166 -11.396 -8.294 1.00 0.00 H new ATOM 0 HG13 ILE B 44 17.526 -11.206 -7.709 1.00 0.00 H new ATOM 0 HG21 ILE B 44 20.147 -9.429 -9.731 1.00 0.00 H new ATOM 0 HG22 ILE B 44 19.984 -7.959 -8.740 1.00 0.00 H new ATOM 0 HG23 ILE B 44 20.488 -9.491 -7.986 1.00 0.00 H new ATOM 0 HD11 ILE B 44 17.546 -12.405 -9.884 1.00 0.00 H new ATOM 0 HD12 ILE B 44 16.721 -10.836 -10.044 1.00 0.00 H new ATOM 0 HD13 ILE B 44 18.387 -11.029 -10.638 1.00 0.00 H new ATOM 1683 N VAL B 45 16.750 -6.898 -6.667 1.00 0.00 N ATOM 1684 CA VAL B 45 16.410 -5.448 -6.691 1.00 0.00 C ATOM 1685 C VAL B 45 17.682 -4.600 -6.706 1.00 0.00 C ATOM 1686 O VAL B 45 18.570 -4.783 -5.897 1.00 0.00 O ATOM 1687 CB VAL B 45 15.640 -5.224 -5.405 1.00 0.00 C ATOM 1688 CG1 VAL B 45 14.276 -5.915 -5.485 1.00 0.00 C ATOM 1689 CG2 VAL B 45 16.450 -5.783 -4.235 1.00 0.00 C ATOM 0 H VAL B 45 16.066 -7.485 -6.190 1.00 0.00 H new ATOM 0 HA VAL B 45 15.838 -5.168 -7.576 1.00 0.00 H new ATOM 0 HB VAL B 45 15.477 -4.157 -5.255 1.00 0.00 H new ATOM 0 HG11 VAL B 45 13.729 -5.749 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL B 45 13.708 -5.503 -6.319 1.00 0.00 H new ATOM 0 HG13 VAL B 45 14.419 -6.985 -5.636 1.00 0.00 H new ATOM 0 HG21 VAL B 45 15.903 -5.626 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL B 45 16.614 -6.850 -4.383 1.00 0.00 H new ATOM 0 HG23 VAL B 45 17.411 -5.272 -4.181 1.00 0.00 H new