USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 388 CYS SG : rot -150:sc= -6.06! USER MOD Set 1.2: A 390 HIS : no HD1:sc= -4.52! C(o=-29!,f=-32!) USER MOD Set 1.3: A 392 MET CE :methyl 170:sc= -7.65! (180deg=-7.85!) USER MOD Set 1.4: A 408 CYS SG : rot -166:sc= -7.71! USER MOD Set 1.5: A 411 CYS SG : rot -63:sc= -2.67! USER MOD Set 2.1: A 379 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Set 2.2: A 395 SER OG : rot -140:sc= 0 USER MOD Set 3.1: A 368 SER OG : rot 148:sc= -0.244 USER MOD Set 3.2: A 374 LYS NZ :NH3+ -156:sc=-0.00503 (180deg=0) USER MOD Set 4.1: A 373 CYS SG : rot -77:sc= 2.08 USER MOD Set 4.2: A 376 CYS SG : rot -31:sc= 1.35 USER MOD Single : A 350 SER OG : rot -73:sc= 0.729 USER MOD Single : A 352 HIS : no HE2:sc= -3.17! C(o=-3.2!,f=-3!) USER MOD Single : A 354 LYS NZ :NH3+ -148:sc= -0.302 (180deg=-1.55!) USER MOD Single : A 356 THR OG1 : rot -170:sc= -0.67 USER MOD Single : A 357 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.1) USER MOD Single : A 359 GLN : amide:sc= -0.0148 K(o=-0.015,f=-1.6!) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 71:sc= 0.156 USER MOD Single : A 366 MET CE :methyl -151:sc= -0.0675 (180deg=-1.67!) USER MOD Single : A 369 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 371 GLN : amide:sc= -6.61! C(o=-6.6!,f=-4.7!) USER MOD Single : A 381 LYS NZ :NH3+ 149:sc= -0.75 (180deg=-2.27!) USER MOD Single : A 384 LYS NZ :NH3+ -175:sc= -1.08 (180deg=-1.14) USER MOD Single : A 394 THR OG1 : rot 180:sc= 0.0732 USER MOD Single : A 398 THR OG1 : rot 180:sc= 0 USER MOD Single : A 401 GLN : amide:sc= -2.16! C(o=-2.2!,f=-3!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.1!) USER MOD Single : A 413 CYS SG : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ -118:sc= -1.27 (180deg=-3.26!) USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 350 -0.541 9.528 -1.419 1.00 33.22 N ATOM 64 CA SER A 350 -1.228 10.105 -0.276 1.00 11.30 C ATOM 65 C SER A 350 -2.657 10.492 -0.664 1.00 63.44 C ATOM 66 O SER A 350 -2.891 10.992 -1.763 1.00 73.34 O ATOM 67 CB SER A 350 -0.476 11.325 0.260 1.00 24.32 C ATOM 68 OG SER A 350 0.771 10.966 0.850 1.00 31.13 O ATOM 0 HA SER A 350 -1.263 9.356 0.515 1.00 11.30 H new ATOM 0 HB2 SER A 350 -0.303 12.030 -0.553 1.00 24.32 H new ATOM 0 HB3 SER A 350 -1.093 11.836 0.999 1.00 24.32 H new ATOM 0 HG SER A 350 0.611 10.534 1.715 1.00 31.13 H new ATOM 74 N ASP A 351 -3.574 10.245 0.259 1.00 11.02 N ATOM 75 CA ASP A 351 -4.973 10.561 0.027 1.00 33.22 C ATOM 76 C ASP A 351 -5.259 11.982 0.518 1.00 71.43 C ATOM 77 O ASP A 351 -4.403 12.613 1.134 1.00 4.34 O ATOM 78 CB ASP A 351 -5.888 9.603 0.793 1.00 13.31 C ATOM 79 CG ASP A 351 -7.244 9.339 0.135 1.00 51.30 C ATOM 80 OD1 ASP A 351 -7.318 8.834 -0.995 1.00 21.42 O ATOM 81 OD2 ASP A 351 -8.268 9.680 0.841 1.00 14.31 O ATOM 0 H ASP A 351 -3.376 9.830 1.169 1.00 11.02 H new ATOM 0 HA ASP A 351 -5.167 10.468 -1.042 1.00 33.22 H new ATOM 0 HB2 ASP A 351 -5.370 8.652 0.918 1.00 13.31 H new ATOM 0 HB3 ASP A 351 -6.058 10.007 1.791 1.00 13.31 H new ATOM 87 N HIS A 352 -6.466 12.443 0.225 1.00 32.32 N ATOM 88 CA HIS A 352 -6.876 13.777 0.629 1.00 43.22 C ATOM 89 C HIS A 352 -8.267 13.718 1.262 1.00 73.42 C ATOM 90 O HIS A 352 -9.185 13.122 0.698 1.00 4.55 O ATOM 91 CB HIS A 352 -6.802 14.748 -0.551 1.00 52.14 C ATOM 92 CG HIS A 352 -5.434 15.351 -0.766 1.00 54.13 C ATOM 93 ND1 HIS A 352 -4.752 16.034 0.225 1.00 11.23 N ATOM 94 CD2 HIS A 352 -4.630 15.365 -1.867 1.00 42.45 C ATOM 95 CE1 HIS A 352 -3.591 16.438 -0.268 1.00 62.03 C ATOM 96 NE2 HIS A 352 -3.517 16.023 -1.566 1.00 31.04 N ATOM 0 H HIS A 352 -7.173 11.916 -0.287 1.00 32.32 H new ATOM 0 HA HIS A 352 -6.189 14.159 1.384 1.00 43.22 H new ATOM 0 HB2 HIS A 352 -7.104 14.225 -1.458 1.00 52.14 H new ATOM 0 HB3 HIS A 352 -7.521 15.552 -0.393 1.00 52.14 H new ATOM 0 HD1 HIS A 352 -5.087 16.199 1.174 1.00 11.23 H new ATOM 0 HD2 HIS A 352 -4.860 14.917 -2.822 1.00 42.45 H new ATOM 0 HE1 HIS A 352 -2.836 16.998 0.264 1.00 62.03 H new ATOM 104 N ILE A 353 -8.381 14.343 2.425 1.00 65.54 N ATOM 105 CA ILE A 353 -9.645 14.368 3.140 1.00 3.14 C ATOM 106 C ILE A 353 -10.109 15.818 3.296 1.00 64.23 C ATOM 107 O ILE A 353 -9.288 16.732 3.360 1.00 55.31 O ATOM 108 CB ILE A 353 -9.525 13.615 4.467 1.00 4.41 C ATOM 109 CG1 ILE A 353 -9.453 12.105 4.236 1.00 65.33 C ATOM 110 CG2 ILE A 353 -10.661 13.996 5.418 1.00 1.13 C ATOM 111 CD1 ILE A 353 -8.972 11.380 5.494 1.00 23.43 C ATOM 0 H ILE A 353 -7.618 14.836 2.890 1.00 65.54 H new ATOM 0 HA ILE A 353 -10.415 13.846 2.572 1.00 3.14 H new ATOM 0 HB ILE A 353 -8.592 13.912 4.945 1.00 4.41 H new ATOM 0 HG12 ILE A 353 -10.436 11.730 3.949 1.00 65.33 H new ATOM 0 HG13 ILE A 353 -8.777 11.892 3.408 1.00 65.33 H new ATOM 0 HG21 ILE A 353 -10.552 13.447 6.353 1.00 1.13 H new ATOM 0 HG22 ILE A 353 -10.623 15.067 5.619 1.00 1.13 H new ATOM 0 HG23 ILE A 353 -11.618 13.746 4.960 1.00 1.13 H new ATOM 0 HD11 ILE A 353 -8.930 10.308 5.302 1.00 23.43 H new ATOM 0 HD12 ILE A 353 -7.979 11.740 5.764 1.00 23.43 H new ATOM 0 HD13 ILE A 353 -9.664 11.575 6.313 1.00 23.43 H new ATOM 123 N LYS A 354 -11.422 15.982 3.352 1.00 51.54 N ATOM 124 CA LYS A 354 -12.005 17.305 3.498 1.00 1.42 C ATOM 125 C LYS A 354 -12.754 17.383 4.830 1.00 50.30 C ATOM 126 O LYS A 354 -13.435 16.436 5.219 1.00 31.05 O ATOM 127 CB LYS A 354 -12.872 17.647 2.284 1.00 25.53 C ATOM 128 CG LYS A 354 -12.917 19.158 2.050 1.00 31.15 C ATOM 129 CD LYS A 354 -13.940 19.825 2.972 1.00 33.31 C ATOM 130 CE LYS A 354 -14.901 20.709 2.175 1.00 15.13 C ATOM 131 NZ LYS A 354 -14.161 21.509 1.175 1.00 44.25 N ATOM 0 H LYS A 354 -12.099 15.221 3.299 1.00 51.54 H new ATOM 0 HA LYS A 354 -11.223 18.064 3.526 1.00 1.42 H new ATOM 0 HB2 LYS A 354 -12.476 17.150 1.398 1.00 25.53 H new ATOM 0 HB3 LYS A 354 -13.883 17.269 2.437 1.00 25.53 H new ATOM 0 HG2 LYS A 354 -11.930 19.586 2.225 1.00 31.15 H new ATOM 0 HG3 LYS A 354 -13.172 19.361 1.010 1.00 31.15 H new ATOM 0 HD2 LYS A 354 -14.503 19.062 3.509 1.00 33.31 H new ATOM 0 HD3 LYS A 354 -13.423 20.426 3.720 1.00 33.31 H new ATOM 0 HE2 LYS A 354 -15.645 20.089 1.675 1.00 15.13 H new ATOM 0 HE3 LYS A 354 -15.441 21.371 2.852 1.00 15.13 H new ATOM 0 HZ1 LYS A 354 -14.640 22.422 1.037 1.00 44.25 H new ATOM 0 HZ2 LYS A 354 -13.191 21.675 1.512 1.00 44.25 H new ATOM 0 HZ3 LYS A 354 -14.131 20.994 0.272 1.00 44.25 H new ATOM 144 N VAL A 355 -12.603 18.521 5.492 1.00 42.03 N ATOM 145 CA VAL A 355 -13.257 18.735 6.772 1.00 65.13 C ATOM 146 C VAL A 355 -14.657 19.305 6.535 1.00 24.24 C ATOM 147 O VAL A 355 -14.807 20.351 5.907 1.00 2.50 O ATOM 148 CB VAL A 355 -12.389 19.630 7.659 1.00 21.54 C ATOM 149 CG1 VAL A 355 -13.205 20.210 8.816 1.00 4.41 C ATOM 150 CG2 VAL A 355 -11.167 18.868 8.178 1.00 53.03 C ATOM 0 H VAL A 355 -12.037 19.305 5.166 1.00 42.03 H new ATOM 0 HA VAL A 355 -13.376 17.791 7.303 1.00 65.13 H new ATOM 0 HB VAL A 355 -12.032 20.461 7.050 1.00 21.54 H new ATOM 0 HG11 VAL A 355 -12.565 20.842 9.431 1.00 4.41 H new ATOM 0 HG12 VAL A 355 -14.028 20.804 8.419 1.00 4.41 H new ATOM 0 HG13 VAL A 355 -13.604 19.397 9.423 1.00 4.41 H new ATOM 0 HG21 VAL A 355 -10.567 19.527 8.806 1.00 53.03 H new ATOM 0 HG22 VAL A 355 -11.495 18.009 8.763 1.00 53.03 H new ATOM 0 HG23 VAL A 355 -10.567 18.525 7.335 1.00 53.03 H new ATOM 160 N THR A 356 -15.646 18.591 7.052 1.00 72.12 N ATOM 161 CA THR A 356 -17.029 19.012 6.905 1.00 40.41 C ATOM 162 C THR A 356 -17.398 20.021 7.995 1.00 44.04 C ATOM 163 O THR A 356 -16.980 19.880 9.143 1.00 40.11 O ATOM 164 CB THR A 356 -17.908 17.760 6.913 1.00 13.41 C ATOM 165 OG1 THR A 356 -17.332 16.938 7.925 1.00 54.44 O ATOM 166 CG2 THR A 356 -17.763 16.934 5.634 1.00 44.13 C ATOM 0 H THR A 356 -15.517 17.724 7.573 1.00 72.12 H new ATOM 0 HA THR A 356 -17.186 19.531 5.959 1.00 40.41 H new ATOM 0 HB THR A 356 -18.951 18.050 7.041 1.00 13.41 H new ATOM 0 HG1 THR A 356 -17.737 16.046 7.892 1.00 54.44 H new ATOM 0 HG21 THR A 356 -18.408 16.057 5.692 1.00 44.13 H new ATOM 0 HG22 THR A 356 -18.051 17.540 4.775 1.00 44.13 H new ATOM 0 HG23 THR A 356 -16.727 16.615 5.522 1.00 44.13 H new ATOM 174 N GLN A 357 -18.176 21.016 7.596 1.00 11.31 N ATOM 175 CA GLN A 357 -18.606 22.048 8.524 1.00 2.24 C ATOM 176 C GLN A 357 -18.977 21.428 9.873 1.00 61.01 C ATOM 177 O GLN A 357 -18.774 22.042 10.919 1.00 22.34 O ATOM 178 CB GLN A 357 -19.775 22.851 7.950 1.00 62.43 C ATOM 179 CG GLN A 357 -19.276 23.947 7.007 1.00 50.34 C ATOM 180 CD GLN A 357 -20.277 25.102 6.930 1.00 32.30 C ATOM 181 OE1 GLN A 357 -20.798 25.437 5.879 1.00 41.31 O ATOM 182 NE2 GLN A 357 -20.517 25.688 8.099 1.00 2.53 N ATOM 0 H GLN A 357 -18.520 21.130 6.642 1.00 11.31 H new ATOM 0 HA GLN A 357 -17.776 22.738 8.679 1.00 2.24 H new ATOM 0 HB2 GLN A 357 -20.450 22.184 7.414 1.00 62.43 H new ATOM 0 HB3 GLN A 357 -20.348 23.298 8.763 1.00 62.43 H new ATOM 0 HG2 GLN A 357 -18.312 24.319 7.354 1.00 50.34 H new ATOM 0 HG3 GLN A 357 -19.118 23.531 6.012 1.00 50.34 H new ATOM 0 HE21 GLN A 357 -20.046 25.357 8.941 1.00 2.53 H new ATOM 0 HE22 GLN A 357 -21.172 26.468 8.153 1.00 2.53 H new ATOM 191 N GLU A 358 -19.515 20.219 9.804 1.00 24.02 N ATOM 192 CA GLU A 358 -19.916 19.509 11.007 1.00 61.02 C ATOM 193 C GLU A 358 -18.729 19.370 11.962 1.00 20.31 C ATOM 194 O GLU A 358 -18.844 19.670 13.149 1.00 14.42 O ATOM 195 CB GLU A 358 -20.507 18.140 10.664 1.00 52.22 C ATOM 196 CG GLU A 358 -19.500 17.285 9.893 1.00 45.34 C ATOM 197 CD GLU A 358 -20.212 16.235 9.038 1.00 31.35 C ATOM 198 OE1 GLU A 358 -20.158 16.301 7.801 1.00 12.14 O ATOM 199 OE2 GLU A 358 -20.838 15.324 9.704 1.00 11.10 O ATOM 0 H GLU A 358 -19.683 19.713 8.934 1.00 24.02 H new ATOM 0 HA GLU A 358 -20.692 20.089 11.506 1.00 61.02 H new ATOM 0 HB2 GLU A 358 -20.799 17.626 11.580 1.00 52.22 H new ATOM 0 HB3 GLU A 358 -21.411 18.269 10.069 1.00 52.22 H new ATOM 0 HG2 GLU A 358 -18.888 17.924 9.256 1.00 45.34 H new ATOM 0 HG3 GLU A 358 -18.825 16.792 10.593 1.00 45.34 H new ATOM 207 N GLN A 359 -17.615 18.914 11.408 1.00 31.44 N ATOM 208 CA GLN A 359 -16.408 18.731 12.196 1.00 30.25 C ATOM 209 C GLN A 359 -15.962 20.063 12.802 1.00 55.41 C ATOM 210 O GLN A 359 -15.998 20.239 14.019 1.00 54.43 O ATOM 211 CB GLN A 359 -15.292 18.111 11.354 1.00 63.12 C ATOM 212 CG GLN A 359 -15.754 16.804 10.707 1.00 73.21 C ATOM 213 CD GLN A 359 -15.454 15.608 11.613 1.00 74.33 C ATOM 214 OE1 GLN A 359 -15.802 15.579 12.782 1.00 74.23 O ATOM 215 NE2 GLN A 359 -14.791 14.625 11.010 1.00 52.24 N ATOM 0 H GLN A 359 -17.523 18.666 10.423 1.00 31.44 H new ATOM 0 HA GLN A 359 -16.631 18.041 13.010 1.00 30.25 H new ATOM 0 HB2 GLN A 359 -14.982 18.814 10.581 1.00 63.12 H new ATOM 0 HB3 GLN A 359 -14.421 17.922 11.981 1.00 63.12 H new ATOM 0 HG2 GLN A 359 -16.824 16.852 10.505 1.00 73.21 H new ATOM 0 HG3 GLN A 359 -15.254 16.672 9.747 1.00 73.21 H new ATOM 0 HE21 GLN A 359 -14.530 14.713 10.028 1.00 52.24 H new ATOM 0 HE22 GLN A 359 -14.544 13.783 11.530 1.00 52.24 H new ATOM 224 N TYR A 360 -15.553 20.968 11.925 1.00 63.24 N ATOM 225 CA TYR A 360 -15.101 22.279 12.357 1.00 4.24 C ATOM 226 C TYR A 360 -15.961 22.803 13.509 1.00 0.30 C ATOM 227 O TYR A 360 -15.442 23.381 14.463 1.00 33.32 O ATOM 228 CB TYR A 360 -15.269 23.203 11.150 1.00 42.04 C ATOM 229 CG TYR A 360 -14.501 24.522 11.263 1.00 31.50 C ATOM 230 CD1 TYR A 360 -13.209 24.528 11.749 1.00 13.41 C ATOM 231 CD2 TYR A 360 -15.100 25.704 10.879 1.00 12.14 C ATOM 232 CE1 TYR A 360 -12.487 25.769 11.856 1.00 43.42 C ATOM 233 CE2 TYR A 360 -14.378 26.945 10.986 1.00 4.11 C ATOM 234 CZ TYR A 360 -13.107 26.916 11.469 1.00 5.50 C ATOM 235 OH TYR A 360 -12.424 28.089 11.570 1.00 71.51 O ATOM 0 H TYR A 360 -15.525 20.819 10.916 1.00 63.24 H new ATOM 0 HA TYR A 360 -14.070 22.233 12.707 1.00 4.24 H new ATOM 0 HB2 TYR A 360 -14.938 22.677 10.254 1.00 42.04 H new ATOM 0 HB3 TYR A 360 -16.329 23.422 11.018 1.00 42.04 H new ATOM 0 HD1 TYR A 360 -12.740 23.602 12.049 1.00 13.41 H new ATOM 0 HD2 TYR A 360 -16.111 25.698 10.498 1.00 12.14 H new ATOM 0 HE1 TYR A 360 -11.476 25.789 12.235 1.00 43.42 H new ATOM 0 HE2 TYR A 360 -14.835 27.877 10.690 1.00 4.11 H new ATOM 0 HH TYR A 360 -12.990 28.825 11.257 1.00 71.51 H new ATOM 245 N GLU A 361 -17.261 22.583 13.382 1.00 52.13 N ATOM 246 CA GLU A 361 -18.198 23.026 14.400 1.00 75.10 C ATOM 247 C GLU A 361 -17.927 22.304 15.721 1.00 0.14 C ATOM 248 O GLU A 361 -17.742 22.944 16.756 1.00 63.35 O ATOM 249 CB GLU A 361 -19.644 22.812 13.945 1.00 5.12 C ATOM 250 CG GLU A 361 -20.123 23.976 13.076 1.00 42.32 C ATOM 251 CD GLU A 361 -21.649 23.985 12.964 1.00 43.01 C ATOM 252 OE1 GLU A 361 -22.328 24.606 13.795 1.00 43.30 O ATOM 253 OE2 GLU A 361 -22.126 23.317 11.969 1.00 33.33 O ATOM 0 H GLU A 361 -17.688 22.104 12.589 1.00 52.13 H new ATOM 0 HA GLU A 361 -18.055 24.095 14.557 1.00 75.10 H new ATOM 0 HB2 GLU A 361 -19.718 21.880 13.384 1.00 5.12 H new ATOM 0 HB3 GLU A 361 -20.292 22.713 14.816 1.00 5.12 H new ATOM 0 HG2 GLU A 361 -19.781 24.918 13.503 1.00 42.32 H new ATOM 0 HG3 GLU A 361 -19.682 23.898 12.082 1.00 42.32 H new ATOM 261 N LEU A 362 -17.912 20.981 15.644 1.00 11.51 N ATOM 262 CA LEU A 362 -17.666 20.166 16.821 1.00 33.23 C ATOM 263 C LEU A 362 -16.331 20.572 17.448 1.00 21.10 C ATOM 264 O LEU A 362 -16.145 20.542 18.665 1.00 34.31 O ATOM 265 CB LEU A 362 -17.754 18.679 16.471 1.00 53.12 C ATOM 266 CG LEU A 362 -18.038 17.731 17.637 1.00 32.34 C ATOM 267 CD1 LEU A 362 -19.543 17.548 17.842 1.00 54.31 C ATOM 268 CD2 LEU A 362 -17.320 16.394 17.444 1.00 21.43 C ATOM 0 H LEU A 362 -18.066 20.454 14.785 1.00 11.51 H new ATOM 0 HA LEU A 362 -18.437 20.339 17.572 1.00 33.23 H new ATOM 0 HB2 LEU A 362 -18.536 18.548 15.723 1.00 53.12 H new ATOM 0 HB3 LEU A 362 -16.815 18.379 16.006 1.00 53.12 H new ATOM 0 HG LEU A 362 -17.642 18.182 18.547 1.00 32.34 H new ATOM 0 HD11 LEU A 362 -19.717 16.869 18.677 1.00 54.31 H new ATOM 0 HD12 LEU A 362 -20.001 18.513 18.058 1.00 54.31 H new ATOM 0 HD13 LEU A 362 -19.985 17.131 16.937 1.00 54.31 H new ATOM 0 HD21 LEU A 362 -17.539 15.739 18.287 1.00 21.43 H new ATOM 0 HD22 LEU A 362 -17.664 15.926 16.522 1.00 21.43 H new ATOM 0 HD23 LEU A 362 -16.245 16.563 17.386 1.00 21.43 H new ATOM 304 N CYS A 364 -15.074 23.574 16.929 1.00 61.10 N ATOM 305 CA CYS A 364 -15.166 24.997 17.208 1.00 24.12 C ATOM 306 C CYS A 364 -15.474 25.176 18.696 1.00 23.31 C ATOM 307 O CYS A 364 -15.044 26.151 19.310 1.00 42.22 O ATOM 308 CB CYS A 364 -16.209 25.681 16.323 1.00 73.10 C ATOM 309 SG CYS A 364 -15.433 26.254 14.768 1.00 5.34 S ATOM 0 HA CYS A 364 -14.216 25.478 16.974 1.00 24.12 H new ATOM 0 HB2 CYS A 364 -17.020 24.987 16.100 1.00 73.10 H new ATOM 0 HB3 CYS A 364 -16.649 26.526 16.852 1.00 73.10 H new ATOM 0 HG CYS A 364 -15.132 25.227 14.029 1.00 5.34 H new ATOM 315 N GLU A 365 -16.216 24.219 19.233 1.00 21.41 N ATOM 316 CA GLU A 365 -16.587 24.258 20.638 1.00 45.14 C ATOM 317 C GLU A 365 -15.343 24.119 21.519 1.00 75.43 C ATOM 318 O GLU A 365 -15.391 24.401 22.715 1.00 54.11 O ATOM 319 CB GLU A 365 -17.615 23.173 20.964 1.00 5.11 C ATOM 320 CG GLU A 365 -18.989 23.530 20.394 1.00 43.30 C ATOM 321 CD GLU A 365 -19.850 22.278 20.213 1.00 5.40 C ATOM 322 OE1 GLU A 365 -19.411 21.170 20.554 1.00 61.10 O ATOM 323 OE2 GLU A 365 -21.014 22.487 19.699 1.00 50.13 O ATOM 0 H GLU A 365 -16.571 23.411 18.721 1.00 21.41 H new ATOM 0 HA GLU A 365 -17.049 25.223 20.846 1.00 45.14 H new ATOM 0 HB2 GLU A 365 -17.284 22.219 20.554 1.00 5.11 H new ATOM 0 HB3 GLU A 365 -17.687 23.048 22.044 1.00 5.11 H new ATOM 0 HG2 GLU A 365 -19.493 24.229 21.061 1.00 43.30 H new ATOM 0 HG3 GLU A 365 -18.869 24.035 19.435 1.00 43.30 H new ATOM 331 N MET A 366 -14.260 23.683 20.893 1.00 2.13 N ATOM 332 CA MET A 366 -13.006 23.503 21.606 1.00 72.34 C ATOM 333 C MET A 366 -11.871 24.265 20.919 1.00 1.13 C ATOM 334 O MET A 366 -10.723 24.203 21.357 1.00 31.21 O ATOM 335 CB MET A 366 -12.660 22.013 21.662 1.00 55.43 C ATOM 336 CG MET A 366 -12.926 21.338 20.315 1.00 62.13 C ATOM 337 SD MET A 366 -12.537 19.599 20.417 1.00 60.21 S ATOM 338 CE MET A 366 -14.182 18.909 20.349 1.00 21.11 C ATOM 0 H MET A 366 -14.224 23.449 19.901 1.00 2.13 H new ATOM 0 HA MET A 366 -13.124 23.896 22.616 1.00 72.34 H new ATOM 0 HB2 MET A 366 -11.612 21.889 21.934 1.00 55.43 H new ATOM 0 HB3 MET A 366 -13.251 21.528 22.439 1.00 55.43 H new ATOM 0 HG2 MET A 366 -13.971 21.470 20.033 1.00 62.13 H new ATOM 0 HG3 MET A 366 -12.324 21.809 19.538 1.00 62.13 H new ATOM 0 HE1 MET A 366 -14.202 17.963 20.890 1.00 21.11 H new ATOM 0 HE2 MET A 366 -14.887 19.604 20.806 1.00 21.11 H new ATOM 0 HE3 MET A 366 -14.462 18.738 19.310 1.00 21.11 H new ATOM 348 N GLY A 367 -12.231 24.967 19.855 1.00 71.11 N ATOM 349 CA GLY A 367 -11.257 25.740 19.104 1.00 41.42 C ATOM 350 C GLY A 367 -10.032 24.892 18.758 1.00 60.45 C ATOM 351 O GLY A 367 -8.897 25.319 18.964 1.00 14.23 O ATOM 0 H GLY A 367 -13.184 25.017 19.495 1.00 71.11 H new ATOM 0 HA2 GLY A 367 -11.714 26.116 18.188 1.00 41.42 H new ATOM 0 HA3 GLY A 367 -10.950 26.608 19.687 1.00 41.42 H new ATOM 355 N SER A 368 -10.303 23.704 18.236 1.00 21.04 N ATOM 356 CA SER A 368 -9.237 22.791 17.859 1.00 1.35 C ATOM 357 C SER A 368 -9.257 22.559 16.347 1.00 35.34 C ATOM 358 O SER A 368 -10.121 23.084 15.647 1.00 73.24 O ATOM 359 CB SER A 368 -9.363 21.460 18.603 1.00 51.10 C ATOM 360 OG SER A 368 -8.150 20.713 18.569 1.00 32.32 O ATOM 0 H SER A 368 -11.245 23.353 18.065 1.00 21.04 H new ATOM 0 HA SER A 368 -8.285 23.243 18.138 1.00 1.35 H new ATOM 0 HB2 SER A 368 -9.644 21.649 19.639 1.00 51.10 H new ATOM 0 HB3 SER A 368 -10.165 20.870 18.158 1.00 51.10 H new ATOM 0 HG SER A 368 -8.064 20.191 19.394 1.00 32.32 H new ATOM 366 N THR A 369 -8.296 21.771 15.889 1.00 43.20 N ATOM 367 CA THR A 369 -8.192 21.463 14.473 1.00 74.42 C ATOM 368 C THR A 369 -8.203 19.948 14.255 1.00 54.32 C ATOM 369 O THR A 369 -7.523 19.210 14.966 1.00 40.24 O ATOM 370 CB THR A 369 -6.935 22.145 13.931 1.00 52.54 C ATOM 371 OG1 THR A 369 -5.981 21.997 14.978 1.00 5.41 O ATOM 372 CG2 THR A 369 -7.105 23.660 13.792 1.00 23.24 C ATOM 0 H THR A 369 -7.582 21.336 16.474 1.00 43.20 H new ATOM 0 HA THR A 369 -9.050 21.846 13.921 1.00 74.42 H new ATOM 0 HB THR A 369 -6.680 21.718 12.961 1.00 52.54 H new ATOM 0 HG1 THR A 369 -5.134 22.410 14.710 1.00 5.41 H new ATOM 0 HG21 THR A 369 -6.184 24.095 13.404 1.00 23.24 H new ATOM 0 HG22 THR A 369 -7.925 23.873 13.106 1.00 23.24 H new ATOM 0 HG23 THR A 369 -7.327 24.092 14.768 1.00 23.24 H new ATOM 380 N PHE A 370 -8.983 19.530 13.269 1.00 54.32 N ATOM 381 CA PHE A 370 -9.092 18.117 12.948 1.00 10.22 C ATOM 382 C PHE A 370 -7.752 17.560 12.463 1.00 1.43 C ATOM 383 O PHE A 370 -7.147 16.720 13.128 1.00 15.53 O ATOM 384 CB PHE A 370 -10.120 17.992 11.822 1.00 33.23 C ATOM 385 CG PHE A 370 -10.239 16.581 11.242 1.00 31.14 C ATOM 386 CD1 PHE A 370 -10.543 15.535 12.056 1.00 24.53 C ATOM 387 CD2 PHE A 370 -10.041 16.373 9.913 1.00 52.31 C ATOM 388 CE1 PHE A 370 -10.653 14.225 11.518 1.00 10.10 C ATOM 389 CE2 PHE A 370 -10.152 15.064 9.375 1.00 65.13 C ATOM 390 CZ PHE A 370 -10.455 14.017 10.189 1.00 51.54 C ATOM 0 H PHE A 370 -9.546 20.145 12.682 1.00 54.32 H new ATOM 0 HA PHE A 370 -9.389 17.556 13.834 1.00 10.22 H new ATOM 0 HB2 PHE A 370 -11.095 18.303 12.198 1.00 33.23 H new ATOM 0 HB3 PHE A 370 -9.852 18.682 11.021 1.00 33.23 H new ATOM 0 HD1 PHE A 370 -10.701 15.700 13.112 1.00 24.53 H new ATOM 0 HD2 PHE A 370 -9.799 17.204 9.267 1.00 52.31 H new ATOM 0 HE1 PHE A 370 -10.894 13.394 12.165 1.00 10.10 H new ATOM 0 HE2 PHE A 370 -9.996 14.899 8.319 1.00 65.13 H new ATOM 0 HZ PHE A 370 -10.538 13.021 9.780 1.00 51.54 H new ATOM 400 N GLN A 371 -7.327 18.051 11.308 1.00 22.23 N ATOM 401 CA GLN A 371 -6.069 17.613 10.727 1.00 74.24 C ATOM 402 C GLN A 371 -4.987 17.526 11.805 1.00 74.21 C ATOM 403 O GLN A 371 -4.044 16.746 11.681 1.00 12.14 O ATOM 404 CB GLN A 371 -5.638 18.542 9.590 1.00 4.05 C ATOM 405 CG GLN A 371 -5.515 19.986 10.080 1.00 3.31 C ATOM 406 CD GLN A 371 -6.852 20.721 9.962 1.00 45.14 C ATOM 407 OE1 GLN A 371 -7.187 21.293 8.937 1.00 25.40 O ATOM 408 NE2 GLN A 371 -7.594 20.674 11.064 1.00 51.20 N ATOM 0 H GLN A 371 -7.831 18.747 10.759 1.00 22.23 H new ATOM 0 HA GLN A 371 -6.213 16.618 10.305 1.00 74.24 H new ATOM 0 HB2 GLN A 371 -4.682 18.209 9.185 1.00 4.05 H new ATOM 0 HB3 GLN A 371 -6.363 18.490 8.778 1.00 4.05 H new ATOM 0 HG2 GLN A 371 -5.182 19.994 11.118 1.00 3.31 H new ATOM 0 HG3 GLN A 371 -4.756 20.508 9.497 1.00 3.31 H new ATOM 0 HE21 GLN A 371 -7.253 20.178 11.887 1.00 51.20 H new ATOM 0 HE22 GLN A 371 -8.504 21.134 11.086 1.00 51.20 H new ATOM 417 N LEU A 372 -5.160 18.337 12.838 1.00 10.20 N ATOM 418 CA LEU A 372 -4.210 18.362 13.937 1.00 30.33 C ATOM 419 C LEU A 372 -4.377 17.095 14.778 1.00 31.53 C ATOM 420 O LEU A 372 -5.485 16.662 15.096 1.00 44.22 O ATOM 421 CB LEU A 372 -4.353 19.656 14.740 1.00 11.13 C ATOM 422 CG LEU A 372 -3.711 19.659 16.129 1.00 65.51 C ATOM 423 CD1 LEU A 372 -4.642 19.026 17.165 1.00 64.10 C ATOM 424 CD2 LEU A 372 -2.340 18.980 16.100 1.00 63.52 C ATOM 0 H LEU A 372 -5.944 18.982 12.937 1.00 10.20 H new ATOM 0 HA LEU A 372 -3.188 18.361 13.557 1.00 30.33 H new ATOM 0 HB2 LEU A 372 -3.919 20.470 14.159 1.00 11.13 H new ATOM 0 HB3 LEU A 372 -5.415 19.875 14.852 1.00 11.13 H new ATOM 0 HG LEU A 372 -3.552 20.695 16.430 1.00 65.51 H new ATOM 0 HD11 LEU A 372 -4.161 19.041 18.143 1.00 64.10 H new ATOM 0 HD12 LEU A 372 -5.574 19.590 17.210 1.00 64.10 H new ATOM 0 HD13 LEU A 372 -4.855 17.995 16.881 1.00 64.10 H new ATOM 0 HD21 LEU A 372 -1.905 18.995 17.099 1.00 63.52 H new ATOM 0 HD22 LEU A 372 -2.452 17.948 15.769 1.00 63.52 H new ATOM 0 HD23 LEU A 372 -1.685 19.513 15.411 1.00 63.52 H new ATOM 436 N CYS A 373 -3.241 16.503 15.135 1.00 10.43 N ATOM 437 CA CYS A 373 -3.231 15.286 15.937 1.00 12.25 C ATOM 438 C CYS A 373 -3.818 15.542 17.323 1.00 62.13 C ATOM 439 O CYS A 373 -3.389 16.479 17.995 1.00 64.35 O ATOM 440 CB CYS A 373 -1.805 14.747 16.067 1.00 14.23 C ATOM 441 SG CYS A 373 -0.678 15.843 16.987 1.00 5.32 S ATOM 0 H CYS A 373 -2.315 16.847 14.881 1.00 10.43 H new ATOM 0 HA CYS A 373 -3.848 14.543 15.432 1.00 12.25 H new ATOM 0 HB2 CYS A 373 -1.838 13.778 16.564 1.00 14.23 H new ATOM 0 HB3 CYS A 373 -1.399 14.580 15.069 1.00 14.23 H new ATOM 0 HG CYS A 373 -0.316 16.832 16.225 1.00 5.32 H new ATOM 446 N LYS A 374 -4.775 14.714 17.715 1.00 53.24 N ATOM 447 CA LYS A 374 -5.407 14.863 19.015 1.00 73.25 C ATOM 448 C LYS A 374 -4.680 13.983 20.034 1.00 55.23 C ATOM 449 O LYS A 374 -5.283 13.519 21.000 1.00 34.30 O ATOM 450 CB LYS A 374 -6.908 14.579 18.916 1.00 4.14 C ATOM 451 CG LYS A 374 -7.576 15.506 17.899 1.00 5.40 C ATOM 452 CD LYS A 374 -7.289 16.974 18.224 1.00 73.21 C ATOM 453 CE LYS A 374 -8.123 17.904 17.340 1.00 20.22 C ATOM 454 NZ LYS A 374 -9.457 18.131 17.940 1.00 5.35 N ATOM 0 H LYS A 374 -5.128 13.938 17.155 1.00 53.24 H new ATOM 0 HA LYS A 374 -5.323 15.892 19.365 1.00 73.25 H new ATOM 0 HB2 LYS A 374 -7.067 13.540 18.626 1.00 4.14 H new ATOM 0 HB3 LYS A 374 -7.372 14.711 19.893 1.00 4.14 H new ATOM 0 HG2 LYS A 374 -7.214 15.274 16.897 1.00 5.40 H new ATOM 0 HG3 LYS A 374 -8.652 15.334 17.897 1.00 5.40 H new ATOM 0 HD2 LYS A 374 -7.511 17.168 19.273 1.00 73.21 H new ATOM 0 HD3 LYS A 374 -6.229 17.182 18.079 1.00 73.21 H new ATOM 0 HE2 LYS A 374 -7.607 18.856 17.215 1.00 20.22 H new ATOM 0 HE3 LYS A 374 -8.234 17.469 16.347 1.00 20.22 H new ATOM 0 HZ1 LYS A 374 -10.132 18.398 17.195 1.00 5.35 H new ATOM 0 HZ2 LYS A 374 -9.782 17.259 18.405 1.00 5.35 H new ATOM 0 HZ3 LYS A 374 -9.396 18.896 18.642 1.00 5.35 H new ATOM 467 N ILE A 375 -3.395 13.781 19.783 1.00 33.21 N ATOM 468 CA ILE A 375 -2.580 12.965 20.667 1.00 42.12 C ATOM 469 C ILE A 375 -1.618 13.867 21.443 1.00 20.11 C ATOM 470 O ILE A 375 -1.659 13.912 22.672 1.00 40.44 O ATOM 471 CB ILE A 375 -1.881 11.855 19.879 1.00 54.12 C ATOM 472 CG1 ILE A 375 -2.860 10.732 19.529 1.00 50.34 C ATOM 473 CG2 ILE A 375 -0.657 11.334 20.634 1.00 71.32 C ATOM 474 CD1 ILE A 375 -2.183 9.663 18.669 1.00 42.12 C ATOM 0 H ILE A 375 -2.898 14.168 18.981 1.00 33.21 H new ATOM 0 HA ILE A 375 -3.205 12.458 21.401 1.00 42.12 H new ATOM 0 HB ILE A 375 -1.524 12.276 18.939 1.00 54.12 H new ATOM 0 HG12 ILE A 375 -3.242 10.279 20.444 1.00 50.34 H new ATOM 0 HG13 ILE A 375 -3.716 11.144 18.996 1.00 50.34 H new ATOM 0 HG21 ILE A 375 -0.179 10.546 20.052 1.00 71.32 H new ATOM 0 HG22 ILE A 375 0.049 12.150 20.789 1.00 71.32 H new ATOM 0 HG23 ILE A 375 -0.968 10.934 21.599 1.00 71.32 H new ATOM 0 HD11 ILE A 375 -2.900 8.877 18.434 1.00 42.12 H new ATOM 0 HD12 ILE A 375 -1.824 10.114 17.744 1.00 42.12 H new ATOM 0 HD13 ILE A 375 -1.342 9.236 19.215 1.00 42.12 H new ATOM 486 N CYS A 376 -0.775 14.562 20.694 1.00 1.31 N ATOM 487 CA CYS A 376 0.196 15.460 21.297 1.00 52.25 C ATOM 488 C CYS A 376 -0.245 16.899 21.021 1.00 41.15 C ATOM 489 O CYS A 376 0.146 17.820 21.736 1.00 33.25 O ATOM 490 CB CYS A 376 1.612 15.189 20.784 1.00 33.33 C ATOM 491 SG CYS A 376 1.944 15.795 19.090 1.00 2.21 S ATOM 0 H CYS A 376 -0.744 14.522 19.675 1.00 1.31 H new ATOM 0 HA CYS A 376 0.232 15.292 22.373 1.00 52.25 H new ATOM 0 HB2 CYS A 376 2.325 15.652 21.466 1.00 33.33 H new ATOM 0 HB3 CYS A 376 1.794 14.115 20.813 1.00 33.33 H new ATOM 0 HG CYS A 376 0.847 15.757 18.393 1.00 2.21 H new ATOM 496 N ALA A 377 -1.052 17.048 19.981 1.00 75.33 N ATOM 497 CA ALA A 377 -1.550 18.359 19.601 1.00 34.03 C ATOM 498 C ALA A 377 -0.368 19.281 19.300 1.00 45.25 C ATOM 499 O ALA A 377 -0.327 20.418 19.767 1.00 10.15 O ATOM 500 CB ALA A 377 -2.447 18.906 20.713 1.00 14.05 C ATOM 0 H ALA A 377 -1.374 16.282 19.389 1.00 75.33 H new ATOM 0 HA ALA A 377 -2.155 18.292 18.697 1.00 34.03 H new ATOM 0 HB1 ALA A 377 -2.821 19.890 20.428 1.00 14.05 H new ATOM 0 HB2 ALA A 377 -3.287 18.229 20.868 1.00 14.05 H new ATOM 0 HB3 ALA A 377 -1.873 18.989 21.636 1.00 14.05 H new ATOM 506 N GLU A 378 0.566 18.757 18.519 1.00 3.15 N ATOM 507 CA GLU A 378 1.747 19.519 18.150 1.00 50.23 C ATOM 508 C GLU A 378 1.984 19.432 16.641 1.00 63.42 C ATOM 509 O GLU A 378 2.267 20.439 15.994 1.00 62.21 O ATOM 510 CB GLU A 378 2.975 19.039 18.927 1.00 53.55 C ATOM 511 CG GLU A 378 3.983 20.175 19.115 1.00 54.02 C ATOM 512 CD GLU A 378 3.352 21.349 19.866 1.00 53.20 C ATOM 513 OE1 GLU A 378 3.181 21.281 21.092 1.00 30.33 O ATOM 514 OE2 GLU A 378 3.036 22.361 19.130 1.00 35.52 O ATOM 0 H GLU A 378 0.529 17.814 18.132 1.00 3.15 H new ATOM 0 HA GLU A 378 1.578 20.563 18.412 1.00 50.23 H new ATOM 0 HB2 GLU A 378 2.667 18.656 19.900 1.00 53.55 H new ATOM 0 HB3 GLU A 378 3.447 18.213 18.394 1.00 53.55 H new ATOM 0 HG2 GLU A 378 4.849 19.810 19.666 1.00 54.02 H new ATOM 0 HG3 GLU A 378 4.342 20.512 18.143 1.00 54.02 H new ATOM 522 N ASN A 379 1.860 18.218 16.124 1.00 62.01 N ATOM 523 CA ASN A 379 2.058 17.986 14.703 1.00 33.22 C ATOM 524 C ASN A 379 0.728 17.575 14.068 1.00 14.42 C ATOM 525 O ASN A 379 -0.291 17.488 14.753 1.00 44.41 O ATOM 526 CB ASN A 379 3.064 16.858 14.464 1.00 54.20 C ATOM 527 CG ASN A 379 4.362 17.110 15.232 1.00 25.14 C ATOM 528 OD1 ASN A 379 4.858 18.222 15.318 1.00 30.51 O ATOM 529 ND2 ASN A 379 4.884 16.019 15.785 1.00 64.52 N ATOM 0 H ASN A 379 1.625 17.385 16.664 1.00 62.01 H new ATOM 0 HA ASN A 379 2.437 18.907 14.260 1.00 33.22 H new ATOM 0 HB2 ASN A 379 2.631 15.908 14.776 1.00 54.20 H new ATOM 0 HB3 ASN A 379 3.278 16.776 13.398 1.00 54.20 H new ATOM 0 HD21 ASN A 379 5.750 16.083 16.319 1.00 64.52 H new ATOM 0 HD22 ASN A 379 4.418 15.118 15.675 1.00 64.52 H new ATOM 536 N ASP A 380 0.779 17.334 12.767 1.00 64.14 N ATOM 537 CA ASP A 380 -0.409 16.935 12.032 1.00 63.45 C ATOM 538 C ASP A 380 -0.461 15.408 11.946 1.00 33.11 C ATOM 539 O ASP A 380 0.545 14.735 12.165 1.00 10.41 O ATOM 540 CB ASP A 380 -0.386 17.487 10.605 1.00 4.42 C ATOM 541 CG ASP A 380 0.987 17.477 9.930 1.00 42.21 C ATOM 542 OD1 ASP A 380 1.747 16.504 10.042 1.00 72.51 O ATOM 543 OD2 ASP A 380 1.271 18.540 9.256 1.00 22.10 O ATOM 0 H ASP A 380 1.625 17.407 12.202 1.00 64.14 H new ATOM 0 HA ASP A 380 -1.279 17.330 12.558 1.00 63.45 H new ATOM 0 HB2 ASP A 380 -1.078 16.906 9.996 1.00 4.42 H new ATOM 0 HB3 ASP A 380 -0.759 18.511 10.622 1.00 4.42 H new ATOM 549 N LYS A 381 -1.645 14.905 11.627 1.00 10.43 N ATOM 550 CA LYS A 381 -1.842 13.471 11.510 1.00 30.52 C ATOM 551 C LYS A 381 -1.023 12.942 10.331 1.00 52.33 C ATOM 552 O LYS A 381 -0.120 12.128 10.513 1.00 62.41 O ATOM 553 CB LYS A 381 -3.333 13.140 11.421 1.00 52.03 C ATOM 554 CG LYS A 381 -4.081 13.643 12.657 1.00 75.10 C ATOM 555 CD LYS A 381 -5.505 14.074 12.298 1.00 1.45 C ATOM 556 CE LYS A 381 -6.448 13.895 13.489 1.00 14.35 C ATOM 557 NZ LYS A 381 -7.859 13.951 13.046 1.00 73.21 N ATOM 0 H LYS A 381 -2.477 15.466 11.446 1.00 10.43 H new ATOM 0 HA LYS A 381 -1.479 12.963 12.404 1.00 30.52 H new ATOM 0 HB2 LYS A 381 -3.757 13.594 10.525 1.00 52.03 H new ATOM 0 HB3 LYS A 381 -3.465 12.062 11.325 1.00 52.03 H new ATOM 0 HG2 LYS A 381 -4.114 12.857 13.411 1.00 75.10 H new ATOM 0 HG3 LYS A 381 -3.543 14.483 13.096 1.00 75.10 H new ATOM 0 HD2 LYS A 381 -5.505 15.118 11.983 1.00 1.45 H new ATOM 0 HD3 LYS A 381 -5.865 13.487 11.453 1.00 1.45 H new ATOM 0 HE2 LYS A 381 -6.251 12.940 13.976 1.00 14.35 H new ATOM 0 HE3 LYS A 381 -6.262 14.674 14.228 1.00 14.35 H new ATOM 0 HZ1 LYS A 381 -8.440 13.348 13.662 1.00 73.21 H new ATOM 0 HZ2 LYS A 381 -8.201 14.932 13.099 1.00 73.21 H new ATOM 0 HZ3 LYS A 381 -7.929 13.613 12.065 1.00 73.21 H new ATOM 570 N ASP A 382 -1.368 13.428 9.147 1.00 34.23 N ATOM 571 CA ASP A 382 -0.677 13.015 7.938 1.00 24.31 C ATOM 572 C ASP A 382 -0.830 11.503 7.759 1.00 30.01 C ATOM 573 O ASP A 382 -0.049 10.876 7.045 1.00 43.41 O ATOM 574 CB ASP A 382 0.818 13.331 8.023 1.00 13.50 C ATOM 575 CG ASP A 382 1.513 13.536 6.676 1.00 61.35 C ATOM 576 OD1 ASP A 382 1.269 14.529 5.975 1.00 52.21 O ATOM 577 OD2 ASP A 382 2.349 12.609 6.347 1.00 12.44 O ATOM 0 H ASP A 382 -2.117 14.104 9.000 1.00 34.23 H new ATOM 0 HA ASP A 382 -1.114 13.556 7.099 1.00 24.31 H new ATOM 0 HB2 ASP A 382 0.950 14.231 8.624 1.00 13.50 H new ATOM 0 HB3 ASP A 382 1.316 12.519 8.552 1.00 13.50 H new ATOM 583 N VAL A 383 -1.842 10.961 8.420 1.00 72.30 N ATOM 584 CA VAL A 383 -2.108 9.534 8.343 1.00 51.32 C ATOM 585 C VAL A 383 -3.609 9.290 8.508 1.00 54.12 C ATOM 586 O VAL A 383 -4.372 10.226 8.745 1.00 23.35 O ATOM 587 CB VAL A 383 -1.264 8.788 9.378 1.00 63.14 C ATOM 588 CG1 VAL A 383 -2.012 8.659 10.706 1.00 42.40 C ATOM 589 CG2 VAL A 383 -0.840 7.415 8.852 1.00 43.00 C ATOM 0 H VAL A 383 -2.488 11.484 9.011 1.00 72.30 H new ATOM 0 HA VAL A 383 -1.821 9.144 7.367 1.00 51.32 H new ATOM 0 HB VAL A 383 -0.361 9.372 9.558 1.00 63.14 H new ATOM 0 HG11 VAL A 383 -1.390 8.125 11.424 1.00 42.40 H new ATOM 0 HG12 VAL A 383 -2.241 9.652 11.093 1.00 42.40 H new ATOM 0 HG13 VAL A 383 -2.939 8.108 10.549 1.00 42.40 H new ATOM 0 HG21 VAL A 383 -0.241 6.905 9.607 1.00 43.00 H new ATOM 0 HG22 VAL A 383 -1.726 6.821 8.630 1.00 43.00 H new ATOM 0 HG23 VAL A 383 -0.250 7.540 7.944 1.00 43.00 H new ATOM 599 N LYS A 384 -3.989 8.028 8.375 1.00 32.32 N ATOM 600 CA LYS A 384 -5.386 7.649 8.507 1.00 62.43 C ATOM 601 C LYS A 384 -5.476 6.155 8.826 1.00 55.02 C ATOM 602 O LYS A 384 -4.560 5.394 8.518 1.00 54.10 O ATOM 603 CB LYS A 384 -6.172 8.060 7.260 1.00 12.14 C ATOM 604 CG LYS A 384 -7.500 7.305 7.176 1.00 71.42 C ATOM 605 CD LYS A 384 -8.366 7.844 6.035 1.00 21.33 C ATOM 606 CE LYS A 384 -9.388 6.799 5.582 1.00 42.21 C ATOM 607 NZ LYS A 384 -8.843 5.990 4.469 1.00 42.22 N ATOM 0 H LYS A 384 -3.354 7.255 8.177 1.00 32.32 H new ATOM 0 HA LYS A 384 -5.849 8.181 9.338 1.00 62.43 H new ATOM 0 HB2 LYS A 384 -6.360 9.133 7.282 1.00 12.14 H new ATOM 0 HB3 LYS A 384 -5.578 7.859 6.369 1.00 12.14 H new ATOM 0 HG2 LYS A 384 -7.309 6.243 7.022 1.00 71.42 H new ATOM 0 HG3 LYS A 384 -8.036 7.399 8.120 1.00 71.42 H new ATOM 0 HD2 LYS A 384 -8.883 8.746 6.361 1.00 21.33 H new ATOM 0 HD3 LYS A 384 -7.732 8.126 5.194 1.00 21.33 H new ATOM 0 HE2 LYS A 384 -9.648 6.150 6.418 1.00 42.21 H new ATOM 0 HE3 LYS A 384 -10.306 7.293 5.265 1.00 42.21 H new ATOM 0 HZ1 LYS A 384 -9.578 5.344 4.117 1.00 42.22 H new ATOM 0 HZ2 LYS A 384 -8.538 6.619 3.699 1.00 42.22 H new ATOM 0 HZ3 LYS A 384 -8.029 5.438 4.807 1.00 42.22 H new ATOM 620 N ILE A 385 -6.590 5.780 9.439 1.00 45.11 N ATOM 621 CA ILE A 385 -6.812 4.391 9.803 1.00 2.11 C ATOM 622 C ILE A 385 -8.108 3.900 9.155 1.00 23.42 C ATOM 623 O ILE A 385 -9.071 4.655 9.036 1.00 74.42 O ATOM 624 CB ILE A 385 -6.783 4.225 11.324 1.00 61.32 C ATOM 625 CG1 ILE A 385 -5.565 4.925 11.929 1.00 43.41 C ATOM 626 CG2 ILE A 385 -6.847 2.747 11.715 1.00 72.10 C ATOM 627 CD1 ILE A 385 -4.278 4.163 11.607 1.00 44.55 C ATOM 0 H ILE A 385 -7.348 6.414 9.692 1.00 45.11 H new ATOM 0 HA ILE A 385 -6.007 3.763 9.422 1.00 2.11 H new ATOM 0 HB ILE A 385 -7.669 4.707 11.737 1.00 61.32 H new ATOM 0 HG12 ILE A 385 -5.496 5.942 11.542 1.00 43.41 H new ATOM 0 HG13 ILE A 385 -5.685 5.002 13.010 1.00 43.41 H new ATOM 0 HG21 ILE A 385 -6.825 2.657 12.801 1.00 72.10 H new ATOM 0 HG22 ILE A 385 -7.769 2.309 11.333 1.00 72.10 H new ATOM 0 HG23 ILE A 385 -5.992 2.221 11.290 1.00 72.10 H new ATOM 0 HD11 ILE A 385 -3.428 4.682 12.049 1.00 44.55 H new ATOM 0 HD12 ILE A 385 -4.340 3.155 12.016 1.00 44.55 H new ATOM 0 HD13 ILE A 385 -4.148 4.109 10.526 1.00 44.55 H new ATOM 639 N GLU A 386 -8.089 2.637 8.754 1.00 53.00 N ATOM 640 CA GLU A 386 -9.251 2.036 8.121 1.00 30.23 C ATOM 641 C GLU A 386 -9.475 0.621 8.658 1.00 63.52 C ATOM 642 O GLU A 386 -8.572 0.025 9.243 1.00 21.14 O ATOM 643 CB GLU A 386 -9.103 2.028 6.598 1.00 34.25 C ATOM 644 CG GLU A 386 -9.900 3.170 5.964 1.00 30.24 C ATOM 645 CD GLU A 386 -10.885 2.638 4.921 1.00 2.10 C ATOM 646 OE1 GLU A 386 -11.985 3.189 4.770 1.00 53.12 O ATOM 647 OE2 GLU A 386 -10.471 1.615 4.253 1.00 75.11 O ATOM 0 H GLU A 386 -7.288 2.014 8.855 1.00 53.00 H new ATOM 0 HA GLU A 386 -10.126 2.639 8.365 1.00 30.23 H new ATOM 0 HB2 GLU A 386 -8.050 2.122 6.331 1.00 34.25 H new ATOM 0 HB3 GLU A 386 -9.449 1.074 6.200 1.00 34.25 H new ATOM 0 HG2 GLU A 386 -10.442 3.713 6.738 1.00 30.24 H new ATOM 0 HG3 GLU A 386 -9.217 3.879 5.496 1.00 30.24 H new ATOM 655 N PRO A 387 -10.715 0.110 8.433 1.00 70.11 N ATOM 656 CA PRO A 387 -11.726 0.882 7.731 1.00 33.02 C ATOM 657 C PRO A 387 -12.302 1.977 8.631 1.00 15.11 C ATOM 658 O PRO A 387 -13.002 2.887 8.187 1.00 2.00 O ATOM 659 CB PRO A 387 -12.767 -0.137 7.295 1.00 45.31 C ATOM 660 CG PRO A 387 -12.539 -1.363 8.163 1.00 24.33 C ATOM 661 CD PRO A 387 -11.186 -1.211 8.839 1.00 22.12 C ATOM 0 HA PRO A 387 -11.325 1.415 6.869 1.00 33.02 H new ATOM 0 HB2 PRO A 387 -13.776 0.254 7.428 1.00 45.31 H new ATOM 0 HB3 PRO A 387 -12.657 -0.381 6.238 1.00 45.31 H new ATOM 0 HG2 PRO A 387 -13.329 -1.456 8.908 1.00 24.33 H new ATOM 0 HG3 PRO A 387 -12.564 -2.269 7.558 1.00 24.33 H new ATOM 0 HD2 PRO A 387 -11.275 -1.284 9.923 1.00 22.12 H new ATOM 0 HD3 PRO A 387 -10.495 -1.992 8.522 1.00 22.12 H new ATOM 669 N CYS A 388 -11.990 1.868 9.919 1.00 51.32 N ATOM 670 CA CYS A 388 -12.462 2.833 10.905 1.00 73.33 C ATOM 671 C CYS A 388 -12.493 4.241 10.318 1.00 72.11 C ATOM 672 O CYS A 388 -13.578 4.765 10.069 1.00 45.43 O ATOM 673 CB CYS A 388 -11.568 2.805 12.145 1.00 3.23 C ATOM 674 SG CYS A 388 -9.826 2.401 11.796 1.00 4.45 S ATOM 0 H CYS A 388 -11.412 1.121 10.304 1.00 51.32 H new ATOM 0 HA CYS A 388 -13.477 2.556 11.191 1.00 73.33 H new ATOM 0 HB2 CYS A 388 -11.613 3.778 12.635 1.00 3.23 H new ATOM 0 HB3 CYS A 388 -11.965 2.075 12.850 1.00 3.23 H new ATOM 0 HG CYS A 388 -9.307 1.795 12.822 1.00 4.45 H new ATOM 679 N GLY A 389 -11.317 4.815 10.113 1.00 0.52 N ATOM 680 CA GLY A 389 -11.225 6.156 9.559 1.00 30.42 C ATOM 681 C GLY A 389 -10.599 7.123 10.566 1.00 43.25 C ATOM 682 O GLY A 389 -10.712 8.339 10.417 1.00 73.15 O ATOM 0 H GLY A 389 -10.420 4.377 10.320 1.00 0.52 H new ATOM 0 HA2 GLY A 389 -10.627 6.137 8.648 1.00 30.42 H new ATOM 0 HA3 GLY A 389 -12.219 6.508 9.281 1.00 30.42 H new ATOM 686 N HIS A 390 -9.951 6.547 11.568 1.00 54.22 N ATOM 687 CA HIS A 390 -9.307 7.343 12.598 1.00 10.45 C ATOM 688 C HIS A 390 -8.026 7.966 12.040 1.00 52.52 C ATOM 689 O HIS A 390 -7.352 7.365 11.205 1.00 3.22 O ATOM 690 CB HIS A 390 -9.060 6.507 13.856 1.00 52.32 C ATOM 691 CG HIS A 390 -10.268 5.732 14.324 1.00 32.44 C ATOM 692 ND1 HIS A 390 -10.229 4.375 14.594 1.00 35.30 N ATOM 693 CD2 HIS A 390 -11.547 6.137 14.569 1.00 35.41 C ATOM 694 CE1 HIS A 390 -11.437 3.991 14.982 1.00 63.33 C ATOM 695 NE2 HIS A 390 -12.252 5.084 14.965 1.00 33.11 N ATOM 0 H HIS A 390 -9.858 5.538 11.688 1.00 54.22 H new ATOM 0 HA HIS A 390 -9.966 8.158 12.897 1.00 10.45 H new ATOM 0 HB2 HIS A 390 -8.246 5.809 13.662 1.00 52.32 H new ATOM 0 HB3 HIS A 390 -8.730 7.166 14.659 1.00 52.32 H new ATOM 0 HD2 HIS A 390 -11.923 7.144 14.459 1.00 35.41 H new ATOM 0 HE1 HIS A 390 -11.725 2.989 15.262 1.00 63.33 H new ATOM 0 HE2 HIS A 390 -13.241 5.091 15.215 1.00 33.11 H new ATOM 703 N LEU A 391 -7.730 9.164 12.523 1.00 65.02 N ATOM 704 CA LEU A 391 -6.542 9.875 12.082 1.00 4.43 C ATOM 705 C LEU A 391 -5.598 10.069 13.271 1.00 31.01 C ATOM 706 O LEU A 391 -6.028 10.024 14.423 1.00 43.12 O ATOM 707 CB LEU A 391 -6.927 11.181 11.384 1.00 10.11 C ATOM 708 CG LEU A 391 -8.249 11.165 10.613 1.00 23.34 C ATOM 709 CD1 LEU A 391 -8.243 10.077 9.538 1.00 65.14 C ATOM 710 CD2 LEU A 391 -9.437 11.022 11.566 1.00 32.11 C ATOM 0 H LEU A 391 -8.292 9.660 13.215 1.00 65.02 H new ATOM 0 HA LEU A 391 -6.002 9.289 11.338 1.00 4.43 H new ATOM 0 HB2 LEU A 391 -6.976 11.970 12.134 1.00 10.11 H new ATOM 0 HB3 LEU A 391 -6.129 11.449 10.692 1.00 10.11 H new ATOM 0 HG LEU A 391 -8.359 12.122 10.102 1.00 23.34 H new ATOM 0 HD11 LEU A 391 -9.194 10.087 9.005 1.00 65.14 H new ATOM 0 HD12 LEU A 391 -7.431 10.264 8.835 1.00 65.14 H new ATOM 0 HD13 LEU A 391 -8.100 9.103 10.007 1.00 65.14 H new ATOM 0 HD21 LEU A 391 -10.364 11.013 10.993 1.00 32.11 H new ATOM 0 HD22 LEU A 391 -9.346 10.090 12.123 1.00 32.11 H new ATOM 0 HD23 LEU A 391 -9.448 11.861 12.262 1.00 32.11 H new ATOM 722 N MET A 392 -4.330 10.280 12.951 1.00 41.11 N ATOM 723 CA MET A 392 -3.322 10.481 13.978 1.00 31.32 C ATOM 724 C MET A 392 -1.976 10.863 13.359 1.00 53.12 C ATOM 725 O MET A 392 -1.823 10.846 12.138 1.00 33.04 O ATOM 726 CB MET A 392 -3.162 9.196 14.794 1.00 11.43 C ATOM 727 CG MET A 392 -2.536 8.085 13.950 1.00 71.42 C ATOM 728 SD MET A 392 -2.708 6.515 14.783 1.00 44.33 S ATOM 729 CE MET A 392 -4.474 6.492 15.039 1.00 1.03 C ATOM 0 H MET A 392 -3.977 10.316 11.995 1.00 41.11 H new ATOM 0 HA MET A 392 -3.647 11.296 14.625 1.00 31.32 H new ATOM 0 HB2 MET A 392 -2.538 9.390 15.666 1.00 11.43 H new ATOM 0 HB3 MET A 392 -4.135 8.872 15.164 1.00 11.43 H new ATOM 0 HG2 MET A 392 -3.019 8.043 12.974 1.00 71.42 H new ATOM 0 HG3 MET A 392 -1.482 8.300 13.775 1.00 71.42 H new ATOM 0 HE1 MET A 392 -4.778 5.505 15.388 1.00 1.03 H new ATOM 0 HE2 MET A 392 -4.743 7.239 15.785 1.00 1.03 H new ATOM 0 HE3 MET A 392 -4.981 6.718 14.101 1.00 1.03 H new ATOM 739 N CYS A 393 -1.035 11.199 14.228 1.00 0.44 N ATOM 740 CA CYS A 393 0.293 11.585 13.782 1.00 12.41 C ATOM 741 C CYS A 393 1.208 10.363 13.883 1.00 53.31 C ATOM 742 O CYS A 393 1.409 9.822 14.969 1.00 74.21 O ATOM 743 CB CYS A 393 0.835 12.772 14.581 1.00 4.02 C ATOM 744 SG CYS A 393 0.627 12.636 16.394 1.00 23.32 S ATOM 0 H CYS A 393 -1.166 11.212 15.240 1.00 0.44 H new ATOM 0 HA CYS A 393 0.249 11.919 12.745 1.00 12.41 H new ATOM 0 HB2 CYS A 393 1.896 12.887 14.359 1.00 4.02 H new ATOM 0 HB3 CYS A 393 0.337 13.680 14.239 1.00 4.02 H new ATOM 749 N THR A 394 1.738 9.965 12.736 1.00 31.40 N ATOM 750 CA THR A 394 2.627 8.816 12.682 1.00 53.45 C ATOM 751 C THR A 394 3.679 8.904 13.789 1.00 61.34 C ATOM 752 O THR A 394 4.003 7.901 14.422 1.00 22.44 O ATOM 753 CB THR A 394 3.227 8.750 11.276 1.00 64.10 C ATOM 754 OG1 THR A 394 2.127 9.029 10.415 1.00 61.24 O ATOM 755 CG2 THR A 394 3.654 7.333 10.888 1.00 23.31 C ATOM 0 H THR A 394 1.569 10.417 11.837 1.00 31.40 H new ATOM 0 HA THR A 394 2.086 7.887 12.864 1.00 53.45 H new ATOM 0 HB THR A 394 4.087 9.417 11.217 1.00 64.10 H new ATOM 0 HG1 THR A 394 2.428 9.008 9.483 1.00 61.24 H new ATOM 0 HG21 THR A 394 4.073 7.342 9.882 1.00 23.31 H new ATOM 0 HG22 THR A 394 4.406 6.974 11.591 1.00 23.31 H new ATOM 0 HG23 THR A 394 2.788 6.672 10.915 1.00 23.31 H new ATOM 763 N SER A 395 4.184 10.113 13.987 1.00 34.44 N ATOM 764 CA SER A 395 5.193 10.344 15.007 1.00 73.01 C ATOM 765 C SER A 395 4.683 9.863 16.367 1.00 73.43 C ATOM 766 O SER A 395 5.419 9.229 17.121 1.00 60.40 O ATOM 767 CB SER A 395 5.576 11.824 15.077 1.00 35.40 C ATOM 768 OG SER A 395 4.434 12.674 15.012 1.00 11.03 O ATOM 0 H SER A 395 3.913 10.943 13.459 1.00 34.44 H new ATOM 0 HA SER A 395 6.085 9.777 14.740 1.00 73.01 H new ATOM 0 HB2 SER A 395 6.118 12.015 16.003 1.00 35.40 H new ATOM 0 HB3 SER A 395 6.253 12.063 14.257 1.00 35.40 H new ATOM 0 HG SER A 395 4.638 13.454 14.455 1.00 11.03 H new ATOM 774 N CYS A 396 3.426 10.182 16.638 1.00 0.35 N ATOM 775 CA CYS A 396 2.809 9.790 17.894 1.00 12.52 C ATOM 776 C CYS A 396 2.605 8.274 17.877 1.00 50.32 C ATOM 777 O CYS A 396 2.887 7.595 18.863 1.00 55.11 O ATOM 778 CB CYS A 396 1.497 10.540 18.138 1.00 24.11 C ATOM 779 SG CYS A 396 1.539 12.319 17.709 1.00 31.54 S ATOM 0 H CYS A 396 2.818 10.707 16.010 1.00 0.35 H new ATOM 0 HA CYS A 396 3.464 10.058 18.723 1.00 12.52 H new ATOM 0 HB2 CYS A 396 0.707 10.060 17.560 1.00 24.11 H new ATOM 0 HB3 CYS A 396 1.228 10.440 19.190 1.00 24.11 H new ATOM 784 N LEU A 397 2.117 7.788 16.745 1.00 22.10 N ATOM 785 CA LEU A 397 1.872 6.364 16.586 1.00 3.42 C ATOM 786 C LEU A 397 3.071 5.582 17.126 1.00 30.23 C ATOM 787 O LEU A 397 2.904 4.630 17.887 1.00 75.32 O ATOM 788 CB LEU A 397 1.530 6.039 15.131 1.00 64.31 C ATOM 789 CG LEU A 397 1.417 4.553 14.785 1.00 31.40 C ATOM 790 CD1 LEU A 397 2.794 3.948 14.506 1.00 23.24 C ATOM 791 CD2 LEU A 397 0.667 3.791 15.880 1.00 61.44 C ATOM 0 H LEU A 397 1.885 8.355 15.929 1.00 22.10 H new ATOM 0 HA LEU A 397 1.003 6.059 17.169 1.00 3.42 H new ATOM 0 HB2 LEU A 397 0.585 6.522 14.884 1.00 64.31 H new ATOM 0 HB3 LEU A 397 2.292 6.484 14.491 1.00 64.31 H new ATOM 0 HG LEU A 397 0.833 4.459 13.869 1.00 31.40 H new ATOM 0 HD11 LEU A 397 2.685 2.891 14.263 1.00 23.24 H new ATOM 0 HD12 LEU A 397 3.256 4.468 13.667 1.00 23.24 H new ATOM 0 HD13 LEU A 397 3.424 4.054 15.389 1.00 23.24 H new ATOM 0 HD21 LEU A 397 0.600 2.737 15.610 1.00 61.44 H new ATOM 0 HD22 LEU A 397 1.202 3.890 16.824 1.00 61.44 H new ATOM 0 HD23 LEU A 397 -0.337 4.202 15.987 1.00 61.44 H new ATOM 803 N THR A 398 4.253 6.012 16.712 1.00 45.31 N ATOM 804 CA THR A 398 5.480 5.364 17.145 1.00 73.15 C ATOM 805 C THR A 398 5.558 5.337 18.672 1.00 22.32 C ATOM 806 O THR A 398 6.066 4.380 19.254 1.00 23.34 O ATOM 807 CB THR A 398 6.656 6.090 16.488 1.00 14.35 C ATOM 808 OG1 THR A 398 6.658 5.607 15.148 1.00 23.41 O ATOM 809 CG2 THR A 398 8.007 5.642 17.049 1.00 50.30 C ATOM 0 H THR A 398 4.388 6.802 16.081 1.00 45.31 H new ATOM 0 HA THR A 398 5.508 4.321 16.831 1.00 73.15 H new ATOM 0 HB THR A 398 6.543 7.165 16.629 1.00 14.35 H new ATOM 0 HG1 THR A 398 7.389 6.028 14.650 1.00 23.41 H new ATOM 0 HG21 THR A 398 8.807 6.187 16.549 1.00 50.30 H new ATOM 0 HG22 THR A 398 8.042 5.846 18.119 1.00 50.30 H new ATOM 0 HG23 THR A 398 8.135 4.573 16.879 1.00 50.30 H new ATOM 817 N ALA A 399 5.047 6.399 19.278 1.00 65.40 N ATOM 818 CA ALA A 399 5.053 6.509 20.727 1.00 63.41 C ATOM 819 C ALA A 399 4.126 5.445 21.318 1.00 12.35 C ATOM 820 O ALA A 399 4.280 5.056 22.475 1.00 62.31 O ATOM 821 CB ALA A 399 4.648 7.927 21.133 1.00 61.01 C ATOM 0 H ALA A 399 4.626 7.191 18.792 1.00 65.40 H new ATOM 0 HA ALA A 399 6.053 6.331 21.122 1.00 63.41 H new ATOM 0 HB1 ALA A 399 4.652 8.010 22.220 1.00 61.01 H new ATOM 0 HB2 ALA A 399 5.355 8.642 20.712 1.00 61.01 H new ATOM 0 HB3 ALA A 399 3.648 8.141 20.757 1.00 61.01 H new ATOM 827 N TRP A 400 3.183 5.006 20.498 1.00 14.03 N ATOM 828 CA TRP A 400 2.230 3.995 20.926 1.00 42.41 C ATOM 829 C TRP A 400 2.860 2.621 20.688 1.00 1.44 C ATOM 830 O TRP A 400 3.019 1.838 21.623 1.00 63.41 O ATOM 831 CB TRP A 400 0.888 4.169 20.212 1.00 45.44 C ATOM 832 CG TRP A 400 0.102 2.869 20.040 1.00 73.54 C ATOM 833 CD1 TRP A 400 -0.165 2.210 18.904 1.00 71.34 C ATOM 834 CD2 TRP A 400 -0.513 2.090 21.088 1.00 11.42 C ATOM 835 NE1 TRP A 400 -0.904 1.069 19.142 1.00 30.21 N ATOM 836 CE2 TRP A 400 -1.122 0.994 20.513 1.00 72.11 C ATOM 837 CE3 TRP A 400 -0.553 2.306 22.477 1.00 51.10 C ATOM 838 CZ2 TRP A 400 -1.815 0.027 21.251 1.00 54.02 C ATOM 839 CZ3 TRP A 400 -1.250 1.331 23.200 1.00 21.34 C ATOM 840 CH2 TRP A 400 -1.869 0.221 22.636 1.00 5.22 C ATOM 0 H TRP A 400 3.058 5.331 19.539 1.00 14.03 H new ATOM 0 HA TRP A 400 2.010 4.098 21.989 1.00 42.41 H new ATOM 0 HB2 TRP A 400 0.279 4.878 20.773 1.00 45.44 H new ATOM 0 HB3 TRP A 400 1.065 4.607 19.230 1.00 45.44 H new ATOM 0 HD1 TRP A 400 0.158 2.532 17.925 1.00 71.34 H new ATOM 0 HE1 TRP A 400 -1.230 0.403 18.441 1.00 30.21 H new ATOM 0 HE3 TRP A 400 -0.083 3.157 22.948 1.00 51.10 H new ATOM 0 HZ2 TRP A 400 -2.283 -0.823 20.777 1.00 54.02 H new ATOM 0 HZ3 TRP A 400 -1.311 1.449 24.272 1.00 21.34 H new ATOM 0 HH2 TRP A 400 -2.389 -0.488 23.263 1.00 5.22 H new ATOM 851 N GLN A 401 3.202 2.372 19.433 1.00 75.51 N ATOM 852 CA GLN A 401 3.811 1.106 19.061 1.00 75.23 C ATOM 853 C GLN A 401 5.153 0.933 19.773 1.00 4.12 C ATOM 854 O GLN A 401 5.745 -0.145 19.738 1.00 51.24 O ATOM 855 CB GLN A 401 3.978 1.003 17.543 1.00 12.04 C ATOM 856 CG GLN A 401 2.669 1.334 16.824 1.00 53.12 C ATOM 857 CD GLN A 401 1.992 0.064 16.305 1.00 32.21 C ATOM 858 OE1 GLN A 401 2.632 -0.873 15.857 1.00 20.22 O ATOM 859 NE2 GLN A 401 0.665 0.085 16.391 1.00 73.45 N ATOM 0 H GLN A 401 3.069 3.025 18.661 1.00 75.51 H new ATOM 0 HA GLN A 401 3.148 0.300 19.376 1.00 75.23 H new ATOM 0 HB2 GLN A 401 4.761 1.685 17.213 1.00 12.04 H new ATOM 0 HB3 GLN A 401 4.299 -0.004 17.276 1.00 12.04 H new ATOM 0 HG2 GLN A 401 1.997 1.856 17.506 1.00 53.12 H new ATOM 0 HG3 GLN A 401 2.868 2.010 15.993 1.00 53.12 H new ATOM 0 HE21 GLN A 401 0.192 0.902 16.777 1.00 73.45 H new ATOM 0 HE22 GLN A 401 0.120 -0.716 16.071 1.00 73.45 H new ATOM 868 N GLU A 402 5.596 2.011 20.404 1.00 54.23 N ATOM 869 CA GLU A 402 6.858 1.992 21.124 1.00 53.35 C ATOM 870 C GLU A 402 7.057 0.640 21.811 1.00 54.00 C ATOM 871 O GLU A 402 7.986 -0.096 21.483 1.00 31.22 O ATOM 872 CB GLU A 402 6.929 3.138 22.136 1.00 71.55 C ATOM 873 CG GLU A 402 7.891 4.229 21.662 1.00 23.30 C ATOM 874 CD GLU A 402 9.323 3.928 22.109 1.00 44.20 C ATOM 875 OE1 GLU A 402 9.527 3.187 23.082 1.00 75.20 O ATOM 876 OE2 GLU A 402 10.244 4.495 21.405 1.00 24.25 O ATOM 0 H GLU A 402 5.103 2.904 20.431 1.00 54.23 H new ATOM 0 HA GLU A 402 7.666 2.135 20.406 1.00 53.35 H new ATOM 0 HB2 GLU A 402 5.935 3.562 22.281 1.00 71.55 H new ATOM 0 HB3 GLU A 402 7.256 2.755 23.103 1.00 71.55 H new ATOM 0 HG2 GLU A 402 7.854 4.305 20.575 1.00 23.30 H new ATOM 0 HG3 GLU A 402 7.577 5.194 22.060 1.00 23.30 H new ATOM 884 N SER A 403 6.169 0.354 22.752 1.00 55.13 N ATOM 885 CA SER A 403 6.235 -0.897 23.488 1.00 11.21 C ATOM 886 C SER A 403 4.928 -1.674 23.317 1.00 23.53 C ATOM 887 O SER A 403 4.909 -2.898 23.443 1.00 41.03 O ATOM 888 CB SER A 403 6.515 -0.648 24.972 1.00 74.34 C ATOM 889 OG SER A 403 5.727 0.420 25.492 1.00 63.43 O ATOM 0 H SER A 403 5.400 0.967 23.022 1.00 55.13 H new ATOM 0 HA SER A 403 7.057 -1.489 23.085 1.00 11.21 H new ATOM 0 HB2 SER A 403 6.311 -1.558 25.537 1.00 74.34 H new ATOM 0 HB3 SER A 403 7.572 -0.418 25.108 1.00 74.34 H new ATOM 0 HG SER A 403 5.933 0.547 26.442 1.00 63.43 H new ATOM 895 N ASP A 404 3.868 -0.932 23.034 1.00 60.42 N ATOM 896 CA ASP A 404 2.560 -1.537 22.845 1.00 43.14 C ATOM 897 C ASP A 404 2.451 -2.069 21.414 1.00 3.31 C ATOM 898 O ASP A 404 2.837 -3.204 21.139 1.00 14.00 O ATOM 899 CB ASP A 404 1.444 -0.512 23.054 1.00 1.22 C ATOM 900 CG ASP A 404 0.898 -0.433 24.481 1.00 21.13 C ATOM 901 OD1 ASP A 404 0.841 0.649 25.084 1.00 34.23 O ATOM 902 OD2 ASP A 404 0.516 -1.559 24.982 1.00 61.13 O ATOM 0 H ASP A 404 3.888 0.083 22.931 1.00 60.42 H new ATOM 0 HA ASP A 404 2.452 -2.341 23.573 1.00 43.14 H new ATOM 0 HB2 ASP A 404 1.817 0.472 22.769 1.00 1.22 H new ATOM 0 HB3 ASP A 404 0.622 -0.750 22.379 1.00 1.22 H new ATOM 908 N GLY A 405 1.925 -1.223 20.541 1.00 54.21 N ATOM 909 CA GLY A 405 1.760 -1.593 19.146 1.00 60.44 C ATOM 910 C GLY A 405 0.578 -2.548 18.968 1.00 70.53 C ATOM 911 O GLY A 405 0.597 -3.408 18.088 1.00 21.54 O ATOM 0 H GLY A 405 1.607 -0.282 20.773 1.00 54.21 H new ATOM 0 HA2 GLY A 405 1.602 -0.698 18.545 1.00 60.44 H new ATOM 0 HA3 GLY A 405 2.672 -2.065 18.781 1.00 60.44 H new ATOM 915 N GLN A 406 -0.423 -2.365 19.816 1.00 23.25 N ATOM 916 CA GLN A 406 -1.611 -3.200 19.764 1.00 0.20 C ATOM 917 C GLN A 406 -2.646 -2.591 18.816 1.00 63.15 C ATOM 918 O GLN A 406 -3.638 -2.015 19.260 1.00 24.31 O ATOM 919 CB GLN A 406 -2.200 -3.403 21.161 1.00 15.22 C ATOM 920 CG GLN A 406 -1.671 -4.689 21.798 1.00 73.51 C ATOM 921 CD GLN A 406 -2.559 -5.883 21.441 1.00 34.23 C ATOM 922 OE1 GLN A 406 -3.772 -5.782 21.348 1.00 23.11 O ATOM 923 NE2 GLN A 406 -1.891 -7.016 21.248 1.00 65.44 N ATOM 0 H GLN A 406 -0.436 -1.650 20.544 1.00 23.25 H new ATOM 0 HA GLN A 406 -1.327 -4.180 19.380 1.00 0.20 H new ATOM 0 HB2 GLN A 406 -1.949 -2.551 21.792 1.00 15.22 H new ATOM 0 HB3 GLN A 406 -3.287 -3.445 21.098 1.00 15.22 H new ATOM 0 HG2 GLN A 406 -0.652 -4.875 21.459 1.00 73.51 H new ATOM 0 HG3 GLN A 406 -1.630 -4.573 22.881 1.00 73.51 H new ATOM 0 HE21 GLN A 406 -0.875 -7.032 21.341 1.00 65.44 H new ATOM 0 HE22 GLN A 406 -2.394 -7.870 21.006 1.00 65.44 H new ATOM 932 N GLY A 407 -2.379 -2.739 17.526 1.00 30.32 N ATOM 933 CA GLY A 407 -3.275 -2.211 16.511 1.00 23.32 C ATOM 934 C GLY A 407 -3.474 -0.704 16.686 1.00 34.52 C ATOM 935 O GLY A 407 -2.681 -0.043 17.354 1.00 40.00 O ATOM 0 H GLY A 407 -1.555 -3.217 17.161 1.00 30.32 H new ATOM 0 HA2 GLY A 407 -2.869 -2.415 15.520 1.00 23.32 H new ATOM 0 HA3 GLY A 407 -4.238 -2.718 16.571 1.00 23.32 H new ATOM 939 N CYS A 408 -4.539 -0.206 16.075 1.00 43.13 N ATOM 940 CA CYS A 408 -4.853 1.211 16.155 1.00 63.55 C ATOM 941 C CYS A 408 -5.011 1.585 17.629 1.00 11.14 C ATOM 942 O CYS A 408 -5.736 0.920 18.368 1.00 1.30 O ATOM 943 CB CYS A 408 -6.100 1.560 15.340 1.00 43.32 C ATOM 944 SG CYS A 408 -6.264 3.332 14.911 1.00 72.42 S ATOM 0 H CYS A 408 -5.195 -0.758 15.523 1.00 43.13 H new ATOM 0 HA CYS A 408 -4.040 1.792 15.719 1.00 63.55 H new ATOM 0 HB2 CYS A 408 -6.090 0.977 14.419 1.00 43.32 H new ATOM 0 HB3 CYS A 408 -6.982 1.253 15.902 1.00 43.32 H new ATOM 0 HG CYS A 408 -7.471 3.566 14.489 1.00 72.42 H new ATOM 949 N PRO A 409 -4.303 2.677 18.025 1.00 64.34 N ATOM 950 CA PRO A 409 -4.358 3.148 19.398 1.00 65.40 C ATOM 951 C PRO A 409 -5.681 3.861 19.680 1.00 11.35 C ATOM 952 O PRO A 409 -5.913 4.329 20.794 1.00 31.44 O ATOM 953 CB PRO A 409 -3.148 4.056 19.551 1.00 34.21 C ATOM 954 CG PRO A 409 -2.725 4.428 18.139 1.00 12.04 C ATOM 955 CD PRO A 409 -3.434 3.489 17.177 1.00 22.54 C ATOM 0 HA PRO A 409 -4.323 2.335 20.124 1.00 65.40 H new ATOM 0 HB2 PRO A 409 -3.397 4.945 20.131 1.00 34.21 H new ATOM 0 HB3 PRO A 409 -2.342 3.547 20.079 1.00 34.21 H new ATOM 0 HG2 PRO A 409 -2.986 5.464 17.923 1.00 12.04 H new ATOM 0 HG3 PRO A 409 -1.644 4.342 18.029 1.00 12.04 H new ATOM 0 HD2 PRO A 409 -4.010 4.043 16.435 1.00 22.54 H new ATOM 0 HD3 PRO A 409 -2.722 2.870 16.631 1.00 22.54 H new ATOM 963 N PHE A 410 -6.514 3.923 18.652 1.00 15.04 N ATOM 964 CA PHE A 410 -7.809 4.572 18.776 1.00 22.31 C ATOM 965 C PHE A 410 -8.914 3.546 19.036 1.00 23.22 C ATOM 966 O PHE A 410 -9.802 3.779 19.855 1.00 60.15 O ATOM 967 CB PHE A 410 -8.085 5.275 17.446 1.00 53.31 C ATOM 968 CG PHE A 410 -7.529 6.698 17.367 1.00 1.43 C ATOM 969 CD1 PHE A 410 -6.251 6.951 17.757 1.00 3.30 C ATOM 970 CD2 PHE A 410 -8.313 7.710 16.908 1.00 45.52 C ATOM 971 CE1 PHE A 410 -5.734 8.272 17.684 1.00 33.01 C ATOM 972 CE2 PHE A 410 -7.796 9.031 16.835 1.00 51.31 C ATOM 973 CZ PHE A 410 -6.518 9.284 17.225 1.00 41.14 C ATOM 0 H PHE A 410 -6.318 3.535 17.729 1.00 15.04 H new ATOM 0 HA PHE A 410 -7.796 5.272 19.612 1.00 22.31 H new ATOM 0 HB2 PHE A 410 -7.656 4.683 16.638 1.00 53.31 H new ATOM 0 HB3 PHE A 410 -9.162 5.307 17.280 1.00 53.31 H new ATOM 0 HD1 PHE A 410 -5.629 6.147 18.122 1.00 3.30 H new ATOM 0 HD2 PHE A 410 -9.328 7.509 16.599 1.00 45.52 H new ATOM 0 HE1 PHE A 410 -4.719 8.473 17.993 1.00 33.01 H new ATOM 0 HE2 PHE A 410 -8.418 9.835 16.470 1.00 51.31 H new ATOM 0 HZ PHE A 410 -6.126 10.289 17.170 1.00 41.14 H new ATOM 983 N CYS A 411 -8.822 2.432 18.324 1.00 15.05 N ATOM 984 CA CYS A 411 -9.803 1.370 18.468 1.00 34.31 C ATOM 985 C CYS A 411 -9.121 0.172 19.132 1.00 1.34 C ATOM 986 O CYS A 411 -9.701 -0.909 19.218 1.00 53.23 O ATOM 987 CB CYS A 411 -10.432 0.995 17.125 1.00 52.15 C ATOM 988 SG CYS A 411 -9.540 1.627 15.657 1.00 54.31 S ATOM 0 H CYS A 411 -8.084 2.242 17.646 1.00 15.05 H new ATOM 0 HA CYS A 411 -10.624 1.714 19.097 1.00 34.31 H new ATOM 0 HB2 CYS A 411 -10.490 -0.091 17.058 1.00 52.15 H new ATOM 0 HB3 CYS A 411 -11.455 1.371 17.101 1.00 52.15 H new ATOM 0 HG CYS A 411 -9.559 2.927 15.664 1.00 54.31 H new ATOM 993 N ARG A 412 -7.898 0.405 19.586 1.00 11.50 N ATOM 994 CA ARG A 412 -7.130 -0.641 20.240 1.00 14.41 C ATOM 995 C ARG A 412 -7.364 -1.984 19.545 1.00 2.44 C ATOM 996 O ARG A 412 -7.304 -3.034 20.182 1.00 32.40 O ATOM 997 CB ARG A 412 -7.514 -0.764 21.716 1.00 20.21 C ATOM 998 CG ARG A 412 -6.462 -1.560 22.491 1.00 20.12 C ATOM 999 CD ARG A 412 -5.057 -1.013 22.229 1.00 14.33 C ATOM 1000 NE ARG A 412 -5.064 0.464 22.322 1.00 14.45 N ATOM 1001 CZ ARG A 412 -5.127 1.149 23.484 1.00 11.22 C ATOM 1002 NH1 ARG A 412 -5.189 0.494 24.663 1.00 2.31 N ATOM 1003 NH2 ARG A 412 -5.127 2.469 23.450 1.00 32.31 N ATOM 0 H ARG A 412 -7.420 1.303 19.514 1.00 11.50 H new ATOM 0 HA ARG A 412 -6.076 -0.372 20.172 1.00 14.41 H new ATOM 0 HB2 ARG A 412 -7.618 0.229 22.152 1.00 20.21 H new ATOM 0 HB3 ARG A 412 -8.484 -1.254 21.804 1.00 20.21 H new ATOM 0 HG2 ARG A 412 -6.680 -1.515 23.558 1.00 20.12 H new ATOM 0 HG3 ARG A 412 -6.508 -2.609 22.200 1.00 20.12 H new ATOM 0 HD2 ARG A 412 -4.355 -1.428 22.953 1.00 14.33 H new ATOM 0 HD3 ARG A 412 -4.716 -1.322 21.241 1.00 14.33 H new ATOM 0 HE ARG A 412 -5.018 0.998 21.454 1.00 14.45 H new ATOM 0 HH11 ARG A 412 -5.188 -0.526 24.680 1.00 2.31 H new ATOM 0 HH12 ARG A 412 -5.236 1.019 25.536 1.00 2.31 H new ATOM 0 HH21 ARG A 412 -5.080 2.956 22.555 1.00 32.31 H new ATOM 0 HH22 ARG A 412 -5.174 3.002 24.319 1.00 32.31 H new ATOM 1016 N CYS A 413 -7.625 -1.906 18.249 1.00 42.52 N ATOM 1017 CA CYS A 413 -7.867 -3.102 17.461 1.00 74.01 C ATOM 1018 C CYS A 413 -6.892 -3.107 16.282 1.00 23.24 C ATOM 1019 O CYS A 413 -6.339 -2.068 15.925 1.00 71.11 O ATOM 1020 CB CYS A 413 -9.323 -3.188 16.997 1.00 21.42 C ATOM 1021 SG CYS A 413 -10.281 -4.252 18.137 1.00 63.40 S ATOM 0 H CYS A 413 -7.674 -1.033 17.724 1.00 42.52 H new ATOM 0 HA CYS A 413 -7.696 -3.986 18.076 1.00 74.01 H new ATOM 0 HB2 CYS A 413 -9.762 -2.191 16.962 1.00 21.42 H new ATOM 0 HB3 CYS A 413 -9.368 -3.592 15.985 1.00 21.42 H new ATOM 0 HG CYS A 413 -11.516 -4.317 17.736 1.00 63.40 H new ATOM 1027 N GLU A 414 -6.710 -4.289 15.711 1.00 3.24 N ATOM 1028 CA GLU A 414 -5.810 -4.443 14.581 1.00 52.14 C ATOM 1029 C GLU A 414 -6.208 -3.489 13.452 1.00 20.32 C ATOM 1030 O GLU A 414 -7.385 -3.171 13.290 1.00 41.13 O ATOM 1031 CB GLU A 414 -5.788 -5.892 14.091 1.00 21.33 C ATOM 1032 CG GLU A 414 -4.958 -6.027 12.813 1.00 3.22 C ATOM 1033 CD GLU A 414 -4.541 -7.481 12.580 1.00 12.44 C ATOM 1034 OE1 GLU A 414 -5.177 -8.188 11.785 1.00 34.03 O ATOM 1035 OE2 GLU A 414 -3.516 -7.869 13.260 1.00 63.34 O ATOM 0 H GLU A 414 -7.171 -5.149 16.010 1.00 3.24 H new ATOM 0 HA GLU A 414 -4.802 -4.189 14.907 1.00 52.14 H new ATOM 0 HB2 GLU A 414 -5.374 -6.536 14.867 1.00 21.33 H new ATOM 0 HB3 GLU A 414 -6.807 -6.232 13.905 1.00 21.33 H new ATOM 0 HG2 GLU A 414 -5.536 -5.670 11.961 1.00 3.22 H new ATOM 0 HG3 GLU A 414 -4.071 -5.397 12.883 1.00 3.22 H new ATOM 1043 N ILE A 415 -5.204 -3.060 12.702 1.00 60.24 N ATOM 1044 CA ILE A 415 -5.434 -2.149 11.593 1.00 33.41 C ATOM 1045 C ILE A 415 -5.595 -2.955 10.302 1.00 12.41 C ATOM 1046 O ILE A 415 -4.966 -3.998 10.135 1.00 75.50 O ATOM 1047 CB ILE A 415 -4.327 -1.096 11.527 1.00 51.43 C ATOM 1048 CG1 ILE A 415 -3.790 -0.776 12.923 1.00 24.12 C ATOM 1049 CG2 ILE A 415 -4.808 0.160 10.797 1.00 53.03 C ATOM 1050 CD1 ILE A 415 -2.744 0.340 12.866 1.00 33.34 C ATOM 0 H ILE A 415 -4.229 -3.326 12.840 1.00 60.24 H new ATOM 0 HA ILE A 415 -6.361 -1.595 11.741 1.00 33.41 H new ATOM 0 HB ILE A 415 -3.499 -1.507 10.950 1.00 51.43 H new ATOM 0 HG12 ILE A 415 -4.612 -0.476 13.573 1.00 24.12 H new ATOM 0 HG13 ILE A 415 -3.348 -1.671 13.361 1.00 24.12 H new ATOM 0 HG21 ILE A 415 -4.002 0.893 10.764 1.00 53.03 H new ATOM 0 HG22 ILE A 415 -5.103 -0.101 9.781 1.00 53.03 H new ATOM 0 HG23 ILE A 415 -5.662 0.584 11.326 1.00 53.03 H new ATOM 0 HD11 ILE A 415 -2.379 0.548 13.872 1.00 33.34 H new ATOM 0 HD12 ILE A 415 -1.912 0.027 12.235 1.00 33.34 H new ATOM 0 HD13 ILE A 415 -3.195 1.241 12.451 1.00 33.34 H new ATOM 1062 N LYS A 416 -6.441 -2.439 9.422 1.00 2.23 N ATOM 1063 CA LYS A 416 -6.692 -3.097 8.151 1.00 14.33 C ATOM 1064 C LYS A 416 -6.058 -2.279 7.024 1.00 25.44 C ATOM 1065 O LYS A 416 -5.346 -2.825 6.182 1.00 1.33 O ATOM 1066 CB LYS A 416 -8.191 -3.344 7.963 1.00 5.32 C ATOM 1067 CG LYS A 416 -8.800 -3.990 9.209 1.00 74.02 C ATOM 1068 CD LYS A 416 -8.648 -5.512 9.167 1.00 11.12 C ATOM 1069 CE LYS A 416 -9.588 -6.129 8.130 1.00 53.33 C ATOM 1070 NZ LYS A 416 -8.909 -6.247 6.820 1.00 21.11 N ATOM 0 H LYS A 416 -6.961 -1.573 9.564 1.00 2.23 H new ATOM 0 HA LYS A 416 -6.225 -4.082 8.133 1.00 14.33 H new ATOM 0 HB2 LYS A 416 -8.695 -2.401 7.755 1.00 5.32 H new ATOM 0 HB3 LYS A 416 -8.352 -3.989 7.099 1.00 5.32 H new ATOM 0 HG2 LYS A 416 -8.313 -3.597 10.102 1.00 74.02 H new ATOM 0 HG3 LYS A 416 -9.856 -3.728 9.280 1.00 74.02 H new ATOM 0 HD2 LYS A 416 -7.617 -5.771 8.928 1.00 11.12 H new ATOM 0 HD3 LYS A 416 -8.862 -5.930 10.151 1.00 11.12 H new ATOM 0 HE2 LYS A 416 -9.915 -7.113 8.467 1.00 53.33 H new ATOM 0 HE3 LYS A 416 -10.482 -5.513 8.029 1.00 53.33 H new ATOM 0 HZ1 LYS A 416 -9.411 -5.669 6.116 1.00 21.11 H new ATOM 0 HZ2 LYS A 416 -7.928 -5.913 6.906 1.00 21.11 H new ATOM 0 HZ3 LYS A 416 -8.911 -7.242 6.516 1.00 21.11 H new ATOM 1083 N GLY A 417 -6.338 -0.985 7.045 1.00 10.32 N ATOM 1084 CA GLY A 417 -5.803 -0.087 6.036 1.00 53.23 C ATOM 1085 C GLY A 417 -5.134 1.128 6.682 1.00 53.35 C ATOM 1086 O GLY A 417 -5.646 1.678 7.656 1.00 44.12 O ATOM 0 H GLY A 417 -6.929 -0.536 7.745 1.00 10.32 H new ATOM 0 HA2 GLY A 417 -5.080 -0.619 5.418 1.00 53.23 H new ATOM 0 HA3 GLY A 417 -6.605 0.243 5.376 1.00 53.23 H new ATOM 1090 N THR A 418 -4.001 1.512 6.113 1.00 61.34 N ATOM 1091 CA THR A 418 -3.257 2.652 6.621 1.00 64.54 C ATOM 1092 C THR A 418 -2.458 3.311 5.495 1.00 5.31 C ATOM 1093 O THR A 418 -1.906 2.625 4.636 1.00 52.33 O ATOM 1094 CB THR A 418 -2.385 2.168 7.782 1.00 73.14 C ATOM 1095 OG1 THR A 418 -1.452 1.282 7.170 1.00 42.25 O ATOM 1096 CG2 THR A 418 -3.155 1.279 8.761 1.00 51.22 C ATOM 0 H THR A 418 -3.580 1.054 5.305 1.00 61.34 H new ATOM 0 HA THR A 418 -3.926 3.425 6.998 1.00 64.54 H new ATOM 0 HB THR A 418 -1.979 3.028 8.314 1.00 73.14 H new ATOM 0 HG1 THR A 418 -0.846 0.923 7.852 1.00 42.25 H new ATOM 0 HG21 THR A 418 -2.491 0.963 9.565 1.00 51.22 H new ATOM 0 HG22 THR A 418 -3.991 1.839 9.180 1.00 51.22 H new ATOM 0 HG23 THR A 418 -3.532 0.401 8.236 1.00 51.22 H new ATOM 1104 N GLU A 419 -2.420 4.635 5.536 1.00 14.04 N ATOM 1105 CA GLU A 419 -1.698 5.395 4.531 1.00 41.24 C ATOM 1106 C GLU A 419 -1.609 6.867 4.940 1.00 73.23 C ATOM 1107 O GLU A 419 -2.498 7.381 5.616 1.00 13.42 O ATOM 1108 CB GLU A 419 -2.353 5.247 3.156 1.00 61.21 C ATOM 1109 CG GLU A 419 -3.739 5.895 3.136 1.00 43.01 C ATOM 1110 CD GLU A 419 -4.812 4.908 3.600 1.00 52.53 C ATOM 1111 OE1 GLU A 419 -5.083 3.916 2.907 1.00 22.04 O ATOM 1112 OE2 GLU A 419 -5.373 5.202 4.724 1.00 62.50 O ATOM 0 H GLU A 419 -2.878 5.201 6.250 1.00 14.04 H new ATOM 0 HA GLU A 419 -0.686 4.996 4.460 1.00 41.24 H new ATOM 0 HB2 GLU A 419 -1.721 5.708 2.397 1.00 61.21 H new ATOM 0 HB3 GLU A 419 -2.438 4.191 2.902 1.00 61.21 H new ATOM 0 HG2 GLU A 419 -3.743 6.773 3.782 1.00 43.01 H new ATOM 0 HG3 GLU A 419 -3.969 6.240 2.128 1.00 43.01 H new ATOM 1120 N PRO A 420 -0.500 7.520 4.501 1.00 61.43 N ATOM 1121 CA PRO A 420 -0.284 8.922 4.814 1.00 65.20 C ATOM 1122 C PRO A 420 -1.189 9.819 3.967 1.00 23.13 C ATOM 1123 O PRO A 420 -0.912 10.053 2.792 1.00 52.41 O ATOM 1124 CB PRO A 420 1.196 9.159 4.557 1.00 73.30 C ATOM 1125 CG PRO A 420 1.654 8.012 3.671 1.00 73.33 C ATOM 1126 CD PRO A 420 0.574 6.942 3.697 1.00 11.34 C ATOM 0 HA PRO A 420 -0.540 9.167 5.845 1.00 65.20 H new ATOM 0 HB2 PRO A 420 1.359 10.119 4.068 1.00 73.30 H new ATOM 0 HB3 PRO A 420 1.757 9.178 5.492 1.00 73.30 H new ATOM 0 HG2 PRO A 420 1.822 8.360 2.652 1.00 73.33 H new ATOM 0 HG3 PRO A 420 2.601 7.608 4.029 1.00 73.33 H new ATOM 0 HD2 PRO A 420 0.230 6.702 2.691 1.00 11.34 H new ATOM 0 HD3 PRO A 420 0.944 6.016 4.137 1.00 11.34 H new ATOM 1134 N ILE A 421 -2.252 10.296 4.598 1.00 43.32 N ATOM 1135 CA ILE A 421 -3.199 11.163 3.917 1.00 31.42 C ATOM 1136 C ILE A 421 -2.977 12.608 4.368 1.00 61.24 C ATOM 1137 O ILE A 421 -2.341 12.852 5.392 1.00 62.32 O ATOM 1138 CB ILE A 421 -4.630 10.665 4.131 1.00 21.24 C ATOM 1139 CG1 ILE A 421 -5.207 11.202 5.443 1.00 41.33 C ATOM 1140 CG2 ILE A 421 -4.696 9.138 4.060 1.00 63.15 C ATOM 1141 CD1 ILE A 421 -5.945 12.523 5.216 1.00 4.53 C ATOM 0 H ILE A 421 -2.478 10.099 5.573 1.00 43.32 H new ATOM 0 HA ILE A 421 -3.034 11.136 2.840 1.00 31.42 H new ATOM 0 HB ILE A 421 -5.250 11.052 3.323 1.00 21.24 H new ATOM 0 HG12 ILE A 421 -5.890 10.468 5.872 1.00 41.33 H new ATOM 0 HG13 ILE A 421 -4.404 11.349 6.165 1.00 41.33 H new ATOM 0 HG21 ILE A 421 -5.724 8.811 4.215 1.00 63.15 H new ATOM 0 HG22 ILE A 421 -4.353 8.804 3.081 1.00 63.15 H new ATOM 0 HG23 ILE A 421 -4.058 8.710 4.833 1.00 63.15 H new ATOM 0 HD11 ILE A 421 -6.346 12.883 6.163 1.00 4.53 H new ATOM 0 HD12 ILE A 421 -5.253 13.261 4.810 1.00 4.53 H new ATOM 0 HD13 ILE A 421 -6.763 12.367 4.512 1.00 4.53 H new ATOM 1153 N ILE A 422 -3.513 13.528 3.580 1.00 14.54 N ATOM 1154 CA ILE A 422 -3.382 14.943 3.885 1.00 3.04 C ATOM 1155 C ILE A 422 -4.758 15.516 4.230 1.00 3.25 C ATOM 1156 O ILE A 422 -5.594 15.706 3.349 1.00 71.33 O ATOM 1157 CB ILE A 422 -2.680 15.675 2.740 1.00 53.15 C ATOM 1158 CG1 ILE A 422 -1.189 15.335 2.703 1.00 1.43 C ATOM 1159 CG2 ILE A 422 -2.923 17.184 2.823 1.00 62.52 C ATOM 1160 CD1 ILE A 422 -0.936 14.063 1.893 1.00 70.51 C ATOM 0 H ILE A 422 -4.039 13.322 2.731 1.00 14.54 H new ATOM 0 HA ILE A 422 -2.748 15.087 4.760 1.00 3.04 H new ATOM 0 HB ILE A 422 -3.111 15.331 1.800 1.00 53.15 H new ATOM 0 HG12 ILE A 422 -0.634 16.165 2.266 1.00 1.43 H new ATOM 0 HG13 ILE A 422 -0.817 15.203 3.719 1.00 1.43 H new ATOM 0 HG21 ILE A 422 -2.413 17.681 1.998 1.00 62.52 H new ATOM 0 HG22 ILE A 422 -3.993 17.384 2.762 1.00 62.52 H new ATOM 0 HG23 ILE A 422 -2.537 17.563 3.769 1.00 62.52 H new ATOM 0 HD11 ILE A 422 0.132 13.844 1.883 1.00 70.51 H new ATOM 0 HD12 ILE A 422 -1.473 13.230 2.347 1.00 70.51 H new ATOM 0 HD13 ILE A 422 -1.287 14.207 0.871 1.00 70.51 H new ATOM 1172 N VAL A 423 -4.950 15.776 5.515 1.00 3.24 N ATOM 1173 CA VAL A 423 -6.210 16.324 5.988 1.00 62.01 C ATOM 1174 C VAL A 423 -6.268 17.817 5.658 1.00 62.20 C ATOM 1175 O VAL A 423 -5.249 18.506 5.700 1.00 35.52 O ATOM 1176 CB VAL A 423 -6.379 16.035 7.481 1.00 72.42 C ATOM 1177 CG1 VAL A 423 -7.750 16.498 7.977 1.00 11.50 C ATOM 1178 CG2 VAL A 423 -6.161 14.550 7.780 1.00 73.04 C ATOM 0 H VAL A 423 -4.254 15.617 6.243 1.00 3.24 H new ATOM 0 HA VAL A 423 -7.048 15.846 5.481 1.00 62.01 H new ATOM 0 HB VAL A 423 -5.619 16.601 8.020 1.00 72.42 H new ATOM 0 HG11 VAL A 423 -7.844 16.281 9.041 1.00 11.50 H new ATOM 0 HG12 VAL A 423 -7.852 17.571 7.815 1.00 11.50 H new ATOM 0 HG13 VAL A 423 -8.532 15.972 7.429 1.00 11.50 H new ATOM 0 HG21 VAL A 423 -6.287 14.372 8.848 1.00 73.04 H new ATOM 0 HG22 VAL A 423 -6.887 13.957 7.225 1.00 73.04 H new ATOM 0 HG23 VAL A 423 -5.153 14.263 7.480 1.00 73.04 H new ATOM 1188 N ASP A 424 -7.469 18.273 5.337 1.00 55.11 N ATOM 1189 CA ASP A 424 -7.674 19.672 5.000 1.00 65.31 C ATOM 1190 C ASP A 424 -8.858 20.217 5.800 1.00 10.02 C ATOM 1191 O ASP A 424 -9.835 19.507 6.031 1.00 34.11 O ATOM 1192 CB ASP A 424 -7.991 19.839 3.513 1.00 44.34 C ATOM 1193 CG ASP A 424 -6.801 19.640 2.571 1.00 0.23 C ATOM 1194 OD1 ASP A 424 -6.592 20.423 1.632 1.00 25.44 O ATOM 1195 OD2 ASP A 424 -6.061 18.617 2.837 1.00 53.15 O ATOM 0 H ASP A 424 -8.311 17.699 5.303 1.00 55.11 H new ATOM 0 HA ASP A 424 -6.758 20.214 5.237 1.00 65.31 H new ATOM 0 HB2 ASP A 424 -8.772 19.129 3.242 1.00 44.34 H new ATOM 0 HB3 ASP A 424 -8.398 20.838 3.354 1.00 44.34 H new ATOM 1201 N PRO A 425 -8.728 21.507 6.212 1.00 34.31 N ATOM 1202 CA PRO A 425 -9.776 22.155 6.982 1.00 52.53 C ATOM 1203 C PRO A 425 -10.964 22.523 6.090 1.00 42.31 C ATOM 1204 O PRO A 425 -10.892 22.393 4.869 1.00 44.21 O ATOM 1205 CB PRO A 425 -9.109 23.367 7.612 1.00 62.02 C ATOM 1206 CG PRO A 425 -7.844 23.612 6.806 1.00 43.34 C ATOM 1207 CD PRO A 425 -7.585 22.378 5.957 1.00 10.11 C ATOM 0 HA PRO A 425 -10.198 21.505 7.749 1.00 52.53 H new ATOM 0 HB2 PRO A 425 -9.767 24.236 7.580 1.00 62.02 H new ATOM 0 HB3 PRO A 425 -8.875 23.183 8.660 1.00 62.02 H new ATOM 0 HG2 PRO A 425 -7.959 24.493 6.174 1.00 43.34 H new ATOM 0 HG3 PRO A 425 -7.000 23.803 7.469 1.00 43.34 H new ATOM 0 HD2 PRO A 425 -7.510 22.633 4.900 1.00 10.11 H new ATOM 0 HD3 PRO A 425 -6.649 21.895 6.236 1.00 10.11 H new ATOM 1215 N PHE A 426 -12.029 22.976 6.735 1.00 72.43 N ATOM 1216 CA PHE A 426 -13.231 23.363 6.015 1.00 4.43 C ATOM 1217 C PHE A 426 -13.003 24.652 5.222 1.00 63.54 C ATOM 1218 O PHE A 426 -13.433 24.762 4.075 1.00 43.34 O ATOM 1219 CB PHE A 426 -14.319 23.609 7.062 1.00 0.21 C ATOM 1220 CG PHE A 426 -15.484 24.465 6.560 1.00 45.13 C ATOM 1221 CD1 PHE A 426 -16.188 24.078 5.463 1.00 73.12 C ATOM 1222 CD2 PHE A 426 -15.814 25.613 7.210 1.00 61.11 C ATOM 1223 CE1 PHE A 426 -17.269 24.872 4.997 1.00 51.24 C ATOM 1224 CE2 PHE A 426 -16.895 26.407 6.744 1.00 44.34 C ATOM 1225 CZ PHE A 426 -17.599 26.020 5.647 1.00 54.12 C ATOM 0 H PHE A 426 -12.085 23.084 7.748 1.00 72.43 H new ATOM 0 HA PHE A 426 -13.512 22.579 5.311 1.00 4.43 H new ATOM 0 HB2 PHE A 426 -14.707 22.648 7.400 1.00 0.21 H new ATOM 0 HB3 PHE A 426 -13.871 24.095 7.929 1.00 0.21 H new ATOM 0 HD1 PHE A 426 -15.925 23.167 4.946 1.00 73.12 H new ATOM 0 HD2 PHE A 426 -15.254 25.921 8.081 1.00 61.11 H new ATOM 0 HE1 PHE A 426 -17.829 24.564 4.126 1.00 51.24 H new ATOM 0 HE2 PHE A 426 -17.158 27.318 7.261 1.00 44.34 H new ATOM 0 HZ PHE A 426 -18.420 26.624 5.292 1.00 54.12 H new