USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 597 hydrogens (8 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 NoAdj-H: A 363 PTR HN2 : A 363 PTR N : A 362 LEU C :(H bumps) USER MOD NoAdj-H: A 363 PTR H : A 363 PTR N : A 362 LEU C :(H bumps) USER MOD NoAdj-H: A 390 HIS HD1 : A 390 HIS ND1 : A1388 ZNZN :(H bumps) USER MOD Single : A 347 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 350 SER OG : rot 180:sc= 0.0407 USER MOD Single : A 352 HIS : no HE2:sc= -2.51! C(o=-2.5!,f=-3.9!) USER MOD Single : A 354 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 THR OG1 : rot -100:sc= -1.8 USER MOD Single : A 357 GLN : amide:sc= -2.3! C(o=-2.3!,f=-2.3!) USER MOD Single : A 359 GLN : amide:sc=-0.00757 K(o=-0.0076,f=-0.94) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 78:sc= 0.936 USER MOD Single : A 366 MET CE :methyl -125:sc= -0.864 (180deg=-3.02!) USER MOD Single : A 368 SER OG : rot 26:sc= 0.0444 USER MOD Single : A 369 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -9.08! C(o=-9.1!,f=-12!) USER MOD Single : A 374 LYS NZ :NH3+ 147:sc= -6.25! (180deg=-9.64!) USER MOD Single : A 379 ASN : amide:sc= 0.624 K(o=0.62,f=-4.2!) USER MOD Single : A 381 LYS NZ :NH3+ 138:sc= -0.519 (180deg=-1.64!) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= -0.0353 (180deg=-0.0353) USER MOD Single : A 392 MET CE :methyl 175:sc= -7.5! (180deg=-7.75!) USER MOD Single : A 394 THR OG1 : rot 180:sc= 0.0392 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 398 THR OG1 : rot 180:sc= 0 USER MOD Single : A 401 GLN : amide:sc= -2.74! C(o=-2.7!,f=-5!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 413 CYS SG : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 8.138 18.698 -2.472 1.00 34.54 N ATOM 2 CA GLY A 345 7.512 17.929 -3.535 1.00 1.24 C ATOM 3 C GLY A 345 7.089 16.546 -3.036 1.00 0.15 C ATOM 4 O GLY A 345 7.894 15.616 -3.015 1.00 41.55 O ATOM 0 HA2 GLY A 345 6.641 18.465 -3.912 1.00 1.24 H new ATOM 0 HA3 GLY A 345 8.206 17.822 -4.368 1.00 1.24 H new ATOM 8 N PRO A 346 5.793 16.451 -2.634 1.00 51.55 N ATOM 9 CA PRO A 346 5.253 15.198 -2.137 1.00 22.42 C ATOM 10 C PRO A 346 5.007 14.214 -3.282 1.00 71.43 C ATOM 11 O PRO A 346 5.239 14.539 -4.446 1.00 24.35 O ATOM 12 CB PRO A 346 3.981 15.582 -1.400 1.00 14.01 C ATOM 13 CG PRO A 346 3.609 16.967 -1.905 1.00 31.25 C ATOM 14 CD PRO A 346 4.811 17.532 -2.644 1.00 74.52 C ATOM 0 HA PRO A 346 5.942 14.678 -1.471 1.00 22.42 H new ATOM 0 HB2 PRO A 346 3.183 14.866 -1.599 1.00 14.01 H new ATOM 0 HB3 PRO A 346 4.141 15.589 -0.322 1.00 14.01 H new ATOM 0 HG2 PRO A 346 2.745 16.913 -2.567 1.00 31.25 H new ATOM 0 HG3 PRO A 346 3.333 17.615 -1.073 1.00 31.25 H new ATOM 0 HD2 PRO A 346 4.550 17.821 -3.662 1.00 74.52 H new ATOM 0 HD3 PRO A 346 5.197 18.423 -2.149 1.00 74.52 H new ATOM 22 N HIS A 347 4.539 13.030 -2.913 1.00 2.20 N ATOM 23 CA HIS A 347 4.259 11.997 -3.895 1.00 74.30 C ATOM 24 C HIS A 347 2.776 12.035 -4.271 1.00 41.12 C ATOM 25 O HIS A 347 2.034 12.894 -3.798 1.00 12.21 O ATOM 26 CB HIS A 347 4.705 10.626 -3.383 1.00 63.35 C ATOM 27 CG HIS A 347 6.204 10.449 -3.328 1.00 40.23 C ATOM 28 ND1 HIS A 347 6.950 10.725 -2.196 1.00 2.31 N ATOM 29 CD2 HIS A 347 7.087 10.021 -4.276 1.00 55.32 C ATOM 30 CE1 HIS A 347 8.223 10.472 -2.462 1.00 2.31 C ATOM 31 NE2 HIS A 347 8.306 10.037 -3.752 1.00 33.31 N ATOM 0 H HIS A 347 4.347 12.764 -1.947 1.00 2.20 H new ATOM 0 HA HIS A 347 4.833 12.187 -4.802 1.00 74.30 H new ATOM 0 HB2 HIS A 347 4.294 10.471 -2.385 1.00 63.35 H new ATOM 0 HB3 HIS A 347 4.282 9.854 -4.026 1.00 63.35 H new ATOM 0 HD2 HIS A 347 6.836 9.720 -5.282 1.00 55.32 H new ATOM 0 HE1 HIS A 347 9.050 10.590 -1.777 1.00 2.31 H new ATOM 0 HE2 HIS A 347 9.164 9.768 -4.234 1.00 33.31 H new ATOM 39 N MET A 348 2.389 11.093 -5.119 1.00 42.51 N ATOM 40 CA MET A 348 1.009 11.009 -5.564 1.00 74.34 C ATOM 41 C MET A 348 0.316 9.779 -4.973 1.00 3.00 C ATOM 42 O MET A 348 -0.710 9.334 -5.484 1.00 54.51 O ATOM 43 CB MET A 348 0.969 10.932 -7.092 1.00 14.01 C ATOM 44 CG MET A 348 1.176 12.314 -7.716 1.00 21.42 C ATOM 45 SD MET A 348 -0.365 13.214 -7.732 1.00 31.12 S ATOM 46 CE MET A 348 0.254 14.886 -7.818 1.00 55.04 C ATOM 0 H MET A 348 3.007 10.382 -5.509 1.00 42.51 H new ATOM 0 HA MET A 348 0.482 11.900 -5.222 1.00 74.34 H new ATOM 0 HB2 MET A 348 1.742 10.250 -7.446 1.00 14.01 H new ATOM 0 HB3 MET A 348 0.011 10.523 -7.414 1.00 14.01 H new ATOM 0 HG2 MET A 348 1.925 12.869 -7.151 1.00 21.42 H new ATOM 0 HG3 MET A 348 1.556 12.210 -8.732 1.00 21.42 H new ATOM 0 HE1 MET A 348 -0.583 15.584 -7.836 1.00 55.04 H new ATOM 0 HE2 MET A 348 0.876 15.089 -6.946 1.00 55.04 H new ATOM 0 HE3 MET A 348 0.848 15.008 -8.724 1.00 55.04 H new ATOM 56 N GLY A 349 0.906 9.264 -3.904 1.00 41.31 N ATOM 57 CA GLY A 349 0.359 8.095 -3.238 1.00 31.23 C ATOM 58 C GLY A 349 -0.488 8.499 -2.029 1.00 73.52 C ATOM 59 O GLY A 349 -1.279 7.701 -1.527 1.00 3.25 O ATOM 0 H GLY A 349 1.758 9.635 -3.483 1.00 41.31 H new ATOM 0 HA2 GLY A 349 -0.250 7.524 -3.939 1.00 31.23 H new ATOM 0 HA3 GLY A 349 1.171 7.442 -2.916 1.00 31.23 H new ATOM 63 N SER A 350 -0.295 9.736 -1.598 1.00 4.20 N ATOM 64 CA SER A 350 -1.031 10.255 -0.458 1.00 51.40 C ATOM 65 C SER A 350 -2.451 10.635 -0.882 1.00 13.43 C ATOM 66 O SER A 350 -2.649 11.234 -1.938 1.00 63.42 O ATOM 67 CB SER A 350 -0.319 11.463 0.154 1.00 3.11 C ATOM 68 OG SER A 350 0.226 12.323 -0.843 1.00 1.42 O ATOM 0 H SER A 350 0.361 10.395 -2.018 1.00 4.20 H new ATOM 0 HA SER A 350 -1.081 9.474 0.301 1.00 51.40 H new ATOM 0 HB2 SER A 350 -1.021 12.023 0.771 1.00 3.11 H new ATOM 0 HB3 SER A 350 0.479 11.119 0.811 1.00 3.11 H new ATOM 0 HG SER A 350 0.671 13.083 -0.412 1.00 1.42 H new ATOM 74 N ASP A 351 -3.404 10.273 -0.035 1.00 60.55 N ATOM 75 CA ASP A 351 -4.800 10.568 -0.309 1.00 32.12 C ATOM 76 C ASP A 351 -5.135 11.963 0.223 1.00 74.21 C ATOM 77 O ASP A 351 -4.263 12.662 0.736 1.00 20.42 O ATOM 78 CB ASP A 351 -5.722 9.563 0.385 1.00 2.23 C ATOM 79 CG ASP A 351 -5.727 8.161 -0.227 1.00 35.14 C ATOM 80 OD1 ASP A 351 -5.497 7.990 -1.433 1.00 34.41 O ATOM 81 OD2 ASP A 351 -5.985 7.206 0.601 1.00 32.14 O ATOM 0 H ASP A 351 -3.237 9.778 0.841 1.00 60.55 H new ATOM 0 HA ASP A 351 -4.952 10.511 -1.387 1.00 32.12 H new ATOM 0 HB2 ASP A 351 -5.428 9.485 1.432 1.00 2.23 H new ATOM 0 HB3 ASP A 351 -6.739 9.954 0.368 1.00 2.23 H new ATOM 87 N HIS A 352 -6.402 12.326 0.082 1.00 44.42 N ATOM 88 CA HIS A 352 -6.863 13.625 0.542 1.00 40.34 C ATOM 89 C HIS A 352 -8.224 13.474 1.225 1.00 5.20 C ATOM 90 O HIS A 352 -9.003 12.589 0.875 1.00 11.45 O ATOM 91 CB HIS A 352 -6.886 14.632 -0.610 1.00 14.30 C ATOM 92 CG HIS A 352 -5.573 15.343 -0.831 1.00 3.42 C ATOM 93 ND1 HIS A 352 -4.960 16.106 0.148 1.00 44.54 N ATOM 94 CD2 HIS A 352 -4.762 15.398 -1.926 1.00 51.44 C ATOM 95 CE1 HIS A 352 -3.832 16.595 -0.348 1.00 71.30 C ATOM 96 NE2 HIS A 352 -3.712 16.155 -1.634 1.00 2.23 N ATOM 0 H HIS A 352 -7.123 11.744 -0.344 1.00 44.42 H new ATOM 0 HA HIS A 352 -6.167 14.022 1.281 1.00 40.34 H new ATOM 0 HB2 HIS A 352 -7.165 14.113 -1.527 1.00 14.30 H new ATOM 0 HB3 HIS A 352 -7.661 15.374 -0.415 1.00 14.30 H new ATOM 0 HD1 HIS A 352 -5.316 16.265 1.091 1.00 44.54 H new ATOM 0 HD2 HIS A 352 -4.944 14.908 -2.871 1.00 51.44 H new ATOM 0 HE1 HIS A 352 -3.131 17.230 0.174 1.00 71.30 H new ATOM 104 N ILE A 353 -8.467 14.352 2.187 1.00 31.22 N ATOM 105 CA ILE A 353 -9.720 14.327 2.923 1.00 41.40 C ATOM 106 C ILE A 353 -10.246 15.756 3.073 1.00 54.14 C ATOM 107 O ILE A 353 -9.485 16.716 2.969 1.00 4.21 O ATOM 108 CB ILE A 353 -9.545 13.594 4.254 1.00 32.32 C ATOM 109 CG1 ILE A 353 -9.473 12.080 4.041 1.00 55.31 C ATOM 110 CG2 ILE A 353 -10.647 13.982 5.243 1.00 63.23 C ATOM 111 CD1 ILE A 353 -9.568 11.334 5.373 1.00 24.21 C ATOM 0 H ILE A 353 -7.818 15.085 2.474 1.00 31.22 H new ATOM 0 HA ILE A 353 -10.474 13.765 2.373 1.00 41.40 H new ATOM 0 HB ILE A 353 -8.596 13.903 4.692 1.00 32.32 H new ATOM 0 HG12 ILE A 353 -10.283 11.763 3.384 1.00 55.31 H new ATOM 0 HG13 ILE A 353 -8.538 11.823 3.542 1.00 55.31 H new ATOM 0 HG21 ILE A 353 -10.499 13.447 6.181 1.00 63.23 H new ATOM 0 HG22 ILE A 353 -10.609 15.056 5.428 1.00 63.23 H new ATOM 0 HG23 ILE A 353 -11.619 13.720 4.825 1.00 63.23 H new ATOM 0 HD11 ILE A 353 -9.514 10.260 5.193 1.00 24.21 H new ATOM 0 HD12 ILE A 353 -8.743 11.636 6.019 1.00 24.21 H new ATOM 0 HD13 ILE A 353 -10.514 11.574 5.858 1.00 24.21 H new ATOM 123 N LYS A 354 -11.546 15.852 3.314 1.00 63.43 N ATOM 124 CA LYS A 354 -12.183 17.147 3.479 1.00 60.04 C ATOM 125 C LYS A 354 -12.888 17.195 4.836 1.00 64.31 C ATOM 126 O LYS A 354 -13.294 16.161 5.365 1.00 52.41 O ATOM 127 CB LYS A 354 -13.106 17.444 2.296 1.00 54.35 C ATOM 128 CG LYS A 354 -13.718 18.842 2.415 1.00 64.13 C ATOM 129 CD LYS A 354 -12.675 19.923 2.122 1.00 31.12 C ATOM 130 CE LYS A 354 -12.782 20.411 0.676 1.00 32.11 C ATOM 131 NZ LYS A 354 -11.718 19.805 -0.155 1.00 53.05 N ATOM 0 H LYS A 354 -12.175 15.054 3.399 1.00 63.43 H new ATOM 0 HA LYS A 354 -11.437 17.941 3.479 1.00 60.04 H new ATOM 0 HB2 LYS A 354 -12.545 17.367 1.364 1.00 54.35 H new ATOM 0 HB3 LYS A 354 -13.900 16.698 2.253 1.00 54.35 H new ATOM 0 HG2 LYS A 354 -14.552 18.938 1.720 1.00 64.13 H new ATOM 0 HG3 LYS A 354 -14.121 18.983 3.418 1.00 64.13 H new ATOM 0 HD2 LYS A 354 -12.814 20.762 2.804 1.00 31.12 H new ATOM 0 HD3 LYS A 354 -11.676 19.528 2.303 1.00 31.12 H new ATOM 0 HE2 LYS A 354 -13.760 20.153 0.270 1.00 32.11 H new ATOM 0 HE3 LYS A 354 -12.701 21.498 0.646 1.00 32.11 H new ATOM 0 HZ1 LYS A 354 -11.805 20.147 -1.133 1.00 53.05 H new ATOM 0 HZ2 LYS A 354 -10.787 20.072 0.224 1.00 53.05 H new ATOM 0 HZ3 LYS A 354 -11.813 18.769 -0.140 1.00 53.05 H new ATOM 144 N VAL A 355 -13.011 18.405 5.361 1.00 45.13 N ATOM 145 CA VAL A 355 -13.659 18.601 6.646 1.00 0.11 C ATOM 146 C VAL A 355 -15.023 19.259 6.429 1.00 33.32 C ATOM 147 O VAL A 355 -15.280 19.829 5.370 1.00 0.33 O ATOM 148 CB VAL A 355 -12.748 19.407 7.574 1.00 22.24 C ATOM 149 CG1 VAL A 355 -13.549 20.045 8.711 1.00 71.31 C ATOM 150 CG2 VAL A 355 -11.616 18.536 8.123 1.00 21.31 C ATOM 0 H VAL A 355 -12.673 19.260 4.919 1.00 45.13 H new ATOM 0 HA VAL A 355 -13.834 17.643 7.136 1.00 0.11 H new ATOM 0 HB VAL A 355 -12.300 20.210 6.989 1.00 22.24 H new ATOM 0 HG11 VAL A 355 -12.877 20.612 9.356 1.00 71.31 H new ATOM 0 HG12 VAL A 355 -14.303 20.713 8.295 1.00 71.31 H new ATOM 0 HG13 VAL A 355 -14.038 19.265 9.294 1.00 71.31 H new ATOM 0 HG21 VAL A 355 -10.983 19.133 8.780 1.00 21.31 H new ATOM 0 HG22 VAL A 355 -12.038 17.703 8.685 1.00 21.31 H new ATOM 0 HG23 VAL A 355 -11.019 18.151 7.296 1.00 21.31 H new ATOM 160 N THR A 356 -15.862 19.157 7.449 1.00 35.24 N ATOM 161 CA THR A 356 -17.194 19.735 7.384 1.00 71.43 C ATOM 162 C THR A 356 -17.322 20.894 8.374 1.00 42.15 C ATOM 163 O THR A 356 -16.558 20.982 9.334 1.00 52.21 O ATOM 164 CB THR A 356 -18.208 18.615 7.626 1.00 61.43 C ATOM 165 OG1 THR A 356 -17.683 17.907 8.745 1.00 25.23 O ATOM 166 CG2 THR A 356 -18.216 17.578 6.500 1.00 5.30 C ATOM 0 H THR A 356 -15.645 18.683 8.326 1.00 35.24 H new ATOM 0 HA THR A 356 -17.390 20.165 6.402 1.00 71.43 H new ATOM 0 HB THR A 356 -19.204 19.045 7.731 1.00 61.43 H new ATOM 0 HG1 THR A 356 -17.223 17.099 8.435 1.00 25.23 H new ATOM 0 HG21 THR A 356 -18.953 16.806 6.722 1.00 5.30 H new ATOM 0 HG22 THR A 356 -18.472 18.065 5.559 1.00 5.30 H new ATOM 0 HG23 THR A 356 -17.229 17.124 6.417 1.00 5.30 H new ATOM 174 N GLN A 357 -18.293 21.755 8.105 1.00 24.24 N ATOM 175 CA GLN A 357 -18.530 22.905 8.961 1.00 52.34 C ATOM 176 C GLN A 357 -18.858 22.450 10.384 1.00 23.01 C ATOM 177 O GLN A 357 -18.323 22.991 11.351 1.00 54.00 O ATOM 178 CB GLN A 357 -19.646 23.787 8.396 1.00 34.45 C ATOM 179 CG GLN A 357 -19.145 24.615 7.211 1.00 32.35 C ATOM 180 CD GLN A 357 -19.928 25.923 7.087 1.00 51.40 C ATOM 181 OE1 GLN A 357 -20.793 26.081 6.241 1.00 41.41 O ATOM 182 NE2 GLN A 357 -19.578 26.850 7.975 1.00 71.32 N ATOM 0 H GLN A 357 -18.924 21.679 7.307 1.00 24.24 H new ATOM 0 HA GLN A 357 -17.619 23.503 8.994 1.00 52.34 H new ATOM 0 HB2 GLN A 357 -20.482 23.163 8.080 1.00 34.45 H new ATOM 0 HB3 GLN A 357 -20.020 24.451 9.176 1.00 34.45 H new ATOM 0 HG2 GLN A 357 -18.084 24.832 7.337 1.00 32.35 H new ATOM 0 HG3 GLN A 357 -19.245 24.038 6.291 1.00 32.35 H new ATOM 0 HE21 GLN A 357 -18.845 26.652 8.657 1.00 71.32 H new ATOM 0 HE22 GLN A 357 -20.042 27.758 7.974 1.00 71.32 H new ATOM 191 N GLU A 358 -19.734 21.460 10.468 1.00 71.14 N ATOM 192 CA GLU A 358 -20.139 20.926 11.757 1.00 70.32 C ATOM 193 C GLU A 358 -18.910 20.619 12.614 1.00 5.34 C ATOM 194 O GLU A 358 -18.876 20.950 13.799 1.00 52.45 O ATOM 195 CB GLU A 358 -21.012 19.681 11.585 1.00 64.21 C ATOM 196 CG GLU A 358 -20.292 18.617 10.753 1.00 4.22 C ATOM 197 CD GLU A 358 -21.293 17.740 9.999 1.00 12.21 C ATOM 198 OE1 GLU A 358 -21.669 18.065 8.863 1.00 61.21 O ATOM 199 OE2 GLU A 358 -21.682 16.687 10.634 1.00 30.13 O ATOM 0 H GLU A 358 -20.175 21.013 9.664 1.00 71.14 H new ATOM 0 HA GLU A 358 -20.736 21.680 12.269 1.00 70.32 H new ATOM 0 HB2 GLU A 358 -21.266 19.273 12.563 1.00 64.21 H new ATOM 0 HB3 GLU A 358 -21.949 19.954 11.100 1.00 64.21 H new ATOM 0 HG2 GLU A 358 -19.619 19.099 10.044 1.00 4.22 H new ATOM 0 HG3 GLU A 358 -19.677 17.996 11.404 1.00 4.22 H new ATOM 207 N GLN A 359 -17.929 19.991 11.983 1.00 31.50 N ATOM 208 CA GLN A 359 -16.701 19.636 12.673 1.00 23.24 C ATOM 209 C GLN A 359 -15.932 20.897 13.071 1.00 41.50 C ATOM 210 O GLN A 359 -15.422 20.993 14.186 1.00 32.54 O ATOM 211 CB GLN A 359 -15.834 18.714 11.813 1.00 54.34 C ATOM 212 CG GLN A 359 -16.642 17.518 11.305 1.00 13.15 C ATOM 213 CD GLN A 359 -16.519 16.329 12.260 1.00 34.14 C ATOM 214 OE1 GLN A 359 -16.814 16.415 13.441 1.00 23.03 O ATOM 215 NE2 GLN A 359 -16.069 15.217 11.685 1.00 13.41 N ATOM 0 H GLN A 359 -17.960 19.719 11.000 1.00 31.50 H new ATOM 0 HA GLN A 359 -16.963 19.092 13.580 1.00 23.24 H new ATOM 0 HB2 GLN A 359 -15.432 19.272 10.967 1.00 54.34 H new ATOM 0 HB3 GLN A 359 -14.983 18.361 12.396 1.00 54.34 H new ATOM 0 HG2 GLN A 359 -17.690 17.800 11.202 1.00 13.15 H new ATOM 0 HG3 GLN A 359 -16.290 17.231 10.314 1.00 13.15 H new ATOM 0 HE21 GLN A 359 -15.840 15.213 10.691 1.00 13.41 H new ATOM 0 HE22 GLN A 359 -15.953 14.368 12.238 1.00 13.41 H new ATOM 224 N TYR A 360 -15.873 21.835 12.136 1.00 25.25 N ATOM 225 CA TYR A 360 -15.174 23.087 12.375 1.00 35.44 C ATOM 226 C TYR A 360 -15.759 23.818 13.586 1.00 41.15 C ATOM 227 O TYR A 360 -15.061 24.584 14.249 1.00 32.51 O ATOM 228 CB TYR A 360 -15.396 23.938 11.124 1.00 41.41 C ATOM 229 CG TYR A 360 -14.544 25.209 11.077 1.00 73.51 C ATOM 230 CD1 TYR A 360 -13.199 25.149 11.380 1.00 12.13 C ATOM 231 CD2 TYR A 360 -15.121 26.414 10.731 1.00 31.33 C ATOM 232 CE1 TYR A 360 -12.398 26.345 11.336 1.00 24.51 C ATOM 233 CE2 TYR A 360 -14.320 27.609 10.687 1.00 5.11 C ATOM 234 CZ TYR A 360 -12.997 27.516 10.992 1.00 73.43 C ATOM 235 OH TYR A 360 -12.240 28.645 10.950 1.00 73.41 O ATOM 0 H TYR A 360 -16.298 21.753 11.212 1.00 25.25 H new ATOM 0 HA TYR A 360 -14.118 22.906 12.575 1.00 35.44 H new ATOM 0 HB2 TYR A 360 -15.179 23.334 10.243 1.00 41.41 H new ATOM 0 HB3 TYR A 360 -16.448 24.216 11.068 1.00 41.41 H new ATOM 0 HD1 TYR A 360 -12.747 24.206 11.650 1.00 12.13 H new ATOM 0 HD2 TYR A 360 -16.173 26.460 10.493 1.00 31.33 H new ATOM 0 HE1 TYR A 360 -11.344 26.312 11.571 1.00 24.51 H new ATOM 0 HE2 TYR A 360 -14.759 28.558 10.418 1.00 5.11 H new ATOM 0 HH TYR A 360 -12.800 29.405 10.688 1.00 73.41 H new ATOM 245 N GLU A 361 -17.033 23.557 13.836 1.00 33.40 N ATOM 246 CA GLU A 361 -17.719 24.180 14.955 1.00 55.53 C ATOM 247 C GLU A 361 -17.572 23.323 16.213 1.00 23.11 C ATOM 248 O GLU A 361 -17.372 23.849 17.307 1.00 63.31 O ATOM 249 CB GLU A 361 -19.194 24.424 14.627 1.00 60.41 C ATOM 250 CG GLU A 361 -19.342 25.401 13.459 1.00 72.20 C ATOM 251 CD GLU A 361 -19.370 26.848 13.955 1.00 21.11 C ATOM 252 OE1 GLU A 361 -20.339 27.260 14.610 1.00 40.44 O ATOM 253 OE2 GLU A 361 -18.337 27.552 13.639 1.00 4.51 O ATOM 0 H GLU A 361 -17.609 22.922 13.283 1.00 33.40 H new ATOM 0 HA GLU A 361 -17.257 25.149 15.144 1.00 55.53 H new ATOM 0 HB2 GLU A 361 -19.676 23.479 14.378 1.00 60.41 H new ATOM 0 HB3 GLU A 361 -19.704 24.821 15.505 1.00 60.41 H new ATOM 0 HG2 GLU A 361 -18.515 25.268 12.762 1.00 72.20 H new ATOM 0 HG3 GLU A 361 -20.259 25.183 12.911 1.00 72.20 H new ATOM 261 N LEU A 362 -17.676 22.017 16.016 1.00 21.11 N ATOM 262 CA LEU A 362 -17.556 21.081 17.122 1.00 53.45 C ATOM 263 C LEU A 362 -16.146 21.169 17.708 1.00 61.02 C ATOM 264 O LEU A 362 -15.925 20.992 18.906 1.00 33.23 O ATOM 265 CB LEU A 362 -17.951 19.672 16.676 1.00 65.14 C ATOM 266 CG LEU A 362 -17.290 18.519 17.435 1.00 54.03 C ATOM 267 CD1 LEU A 362 -17.298 18.780 18.942 1.00 24.12 C ATOM 268 CD2 LEU A 362 -17.946 17.183 17.081 1.00 35.21 C ATOM 0 H LEU A 362 -17.842 21.584 15.107 1.00 21.11 H new ATOM 0 HA LEU A 362 -18.250 21.343 17.921 1.00 53.45 H new ATOM 0 HB2 LEU A 362 -19.032 19.572 16.772 1.00 65.14 H new ATOM 0 HB3 LEU A 362 -17.714 19.567 15.617 1.00 65.14 H new ATOM 0 HG LEU A 362 -16.247 18.458 17.124 1.00 54.03 H new ATOM 0 HD11 LEU A 362 -16.823 17.946 19.458 1.00 24.12 H new ATOM 0 HD12 LEU A 362 -16.751 19.698 19.155 1.00 24.12 H new ATOM 0 HD13 LEU A 362 -18.327 18.882 19.288 1.00 24.12 H new ATOM 0 HD21 LEU A 362 -17.458 16.380 17.634 1.00 35.21 H new ATOM 0 HD22 LEU A 362 -19.003 17.215 17.346 1.00 35.21 H new ATOM 0 HD23 LEU A 362 -17.845 17.000 16.011 1.00 35.21 H new HETATM 280 N PTR A 363 -15.189 21.449 16.829 1.00 23.41 N HETATM 281 CA PTR A 363 -13.792 21.565 17.232 1.00 73.30 C HETATM 282 C PTR A 363 -13.480 22.979 17.710 1.00 74.10 C HETATM 283 O PTR A 363 -12.455 23.183 18.358 1.00 11.20 O HETATM 284 CB PTR A 363 -12.872 21.193 16.068 1.00 41.05 C HETATM 285 CG PTR A 363 -12.809 19.707 15.795 1.00 23.14 C HETATM 286 CD1 PTR A 363 -11.588 19.049 15.707 1.00 13.00 C HETATM 287 CD2 PTR A 363 -13.970 18.963 15.628 1.00 63.42 C HETATM 288 CE1 PTR A 363 -11.527 17.692 15.458 1.00 31.53 C HETATM 289 CE2 PTR A 363 -13.916 17.605 15.379 1.00 33.45 C HETATM 290 CZ PTR A 363 -12.693 16.974 15.296 1.00 41.14 C HETATM 291 OH PTR A 363 -12.634 15.559 15.036 1.00 23.43 O HETATM 292 P PTR A 363 -11.497 14.638 15.753 1.00 31.23 P HETATM 293 O1P PTR A 363 -12.063 13.227 15.779 1.00 3.11 O HETATM 294 O2P PTR A 363 -11.305 15.224 17.143 1.00 31.20 O HETATM 295 O3P PTR A 363 -10.255 14.760 14.885 1.00 74.41 O HETATM 0 HE2 PTR A 363 -14.836 17.035 15.249 1.00 33.45 H new HETATM 0 HE1 PTR A 363 -10.561 17.191 15.390 1.00 31.53 H new HETATM 0 HD2 PTR A 363 -14.939 19.458 15.694 1.00 63.42 H new HETATM 0 HD1 PTR A 363 -10.664 19.613 15.837 1.00 13.00 H new HETATM 0 HB3 PTR A 363 -13.214 21.705 15.168 1.00 41.05 H new HETATM 0 HB2 PTR A 363 -11.867 21.558 16.280 1.00 41.05 H new HETATM 0 HA PTR A 363 -13.619 20.875 18.058 1.00 73.30 H new ATOM 304 N CYS A 364 -14.361 23.914 17.384 1.00 62.21 N ATOM 305 CA CYS A 364 -14.167 25.297 17.785 1.00 30.11 C ATOM 306 C CYS A 364 -14.152 25.356 19.314 1.00 63.12 C ATOM 307 O CYS A 364 -13.203 25.864 19.909 1.00 21.25 O ATOM 308 CB CYS A 364 -15.237 26.214 17.189 1.00 20.12 C ATOM 309 SG CYS A 364 -14.615 26.982 15.649 1.00 14.41 S ATOM 0 H CYS A 364 -15.211 23.741 16.847 1.00 62.21 H new ATOM 0 HA CYS A 364 -13.215 25.660 17.399 1.00 30.11 H new ATOM 0 HB2 CYS A 364 -16.142 25.643 16.981 1.00 20.12 H new ATOM 0 HB3 CYS A 364 -15.506 26.988 17.908 1.00 20.12 H new ATOM 0 HG CYS A 364 -14.682 26.121 14.677 1.00 14.41 H new ATOM 315 N GLU A 365 -15.214 24.829 19.905 1.00 0.32 N ATOM 316 CA GLU A 365 -15.335 24.816 21.353 1.00 24.32 C ATOM 317 C GLU A 365 -13.992 24.458 21.994 1.00 33.33 C ATOM 318 O GLU A 365 -13.380 25.287 22.666 1.00 72.04 O ATOM 319 CB GLU A 365 -16.432 23.849 21.803 1.00 51.31 C ATOM 320 CG GLU A 365 -17.799 24.537 21.811 1.00 42.11 C ATOM 321 CD GLU A 365 -18.773 23.811 22.741 1.00 63.41 C ATOM 322 OE1 GLU A 365 -18.645 22.594 22.944 1.00 11.12 O ATOM 323 OE2 GLU A 365 -19.688 24.556 23.262 1.00 24.00 O ATOM 0 H GLU A 365 -15.999 24.408 19.408 1.00 0.32 H new ATOM 0 HA GLU A 365 -15.619 25.815 21.684 1.00 24.32 H new ATOM 0 HB2 GLU A 365 -16.458 22.987 21.136 1.00 51.31 H new ATOM 0 HB3 GLU A 365 -16.204 23.473 22.800 1.00 51.31 H new ATOM 0 HG2 GLU A 365 -17.687 25.572 22.133 1.00 42.11 H new ATOM 0 HG3 GLU A 365 -18.205 24.559 20.800 1.00 42.11 H new ATOM 331 N MET A 366 -13.574 23.222 21.765 1.00 71.32 N ATOM 332 CA MET A 366 -12.316 22.744 22.312 1.00 64.24 C ATOM 333 C MET A 366 -11.164 23.677 21.934 1.00 43.43 C ATOM 334 O MET A 366 -10.231 23.866 22.713 1.00 32.53 O ATOM 335 CB MET A 366 -12.029 21.338 21.780 1.00 1.02 C ATOM 336 CG MET A 366 -12.021 21.321 20.250 1.00 12.32 C ATOM 337 SD MET A 366 -11.690 19.670 19.659 1.00 24.14 S ATOM 338 CE MET A 366 -13.331 18.974 19.745 1.00 12.52 C ATOM 0 H MET A 366 -14.084 22.537 21.208 1.00 71.32 H new ATOM 0 HA MET A 366 -12.399 22.721 23.399 1.00 64.24 H new ATOM 0 HB2 MET A 366 -11.066 20.993 22.156 1.00 1.02 H new ATOM 0 HB3 MET A 366 -12.783 20.644 22.151 1.00 1.02 H new ATOM 0 HG2 MET A 366 -12.982 21.666 19.869 1.00 12.32 H new ATOM 0 HG3 MET A 366 -11.264 22.009 19.875 1.00 12.32 H new ATOM 0 HE1 MET A 366 -13.310 18.066 20.348 1.00 12.52 H new ATOM 0 HE2 MET A 366 -14.009 19.696 20.199 1.00 12.52 H new ATOM 0 HE3 MET A 366 -13.677 18.734 18.740 1.00 12.52 H new ATOM 348 N GLY A 367 -11.266 24.237 20.737 1.00 14.43 N ATOM 349 CA GLY A 367 -10.245 25.147 20.247 1.00 61.35 C ATOM 350 C GLY A 367 -9.135 24.384 19.520 1.00 1.13 C ATOM 351 O GLY A 367 -7.954 24.580 19.804 1.00 32.21 O ATOM 0 H GLY A 367 -12.040 24.078 20.092 1.00 14.43 H new ATOM 0 HA2 GLY A 367 -10.695 25.874 19.571 1.00 61.35 H new ATOM 0 HA3 GLY A 367 -9.821 25.707 21.081 1.00 61.35 H new ATOM 355 N SER A 368 -9.553 23.531 18.597 1.00 33.44 N ATOM 356 CA SER A 368 -8.609 22.738 17.828 1.00 33.44 C ATOM 357 C SER A 368 -9.139 22.525 16.409 1.00 41.02 C ATOM 358 O SER A 368 -10.229 22.986 16.074 1.00 70.35 O ATOM 359 CB SER A 368 -8.344 21.390 18.503 1.00 3.41 C ATOM 360 OG SER A 368 -7.322 21.481 19.493 1.00 54.12 O ATOM 0 H SER A 368 -10.533 23.371 18.364 1.00 33.44 H new ATOM 0 HA SER A 368 -7.665 23.282 17.779 1.00 33.44 H new ATOM 0 HB2 SER A 368 -9.263 21.028 18.963 1.00 3.41 H new ATOM 0 HB3 SER A 368 -8.055 20.658 17.749 1.00 3.41 H new ATOM 0 HG SER A 368 -7.283 22.397 19.840 1.00 54.12 H new ATOM 366 N THR A 369 -8.342 21.827 15.613 1.00 74.12 N ATOM 367 CA THR A 369 -8.717 21.548 14.237 1.00 72.31 C ATOM 368 C THR A 369 -8.847 20.039 14.015 1.00 11.53 C ATOM 369 O THR A 369 -8.318 19.246 14.792 1.00 2.33 O ATOM 370 CB THR A 369 -7.685 22.210 13.322 1.00 21.41 C ATOM 371 OG1 THR A 369 -7.387 23.443 13.970 1.00 24.03 O ATOM 372 CG2 THR A 369 -8.279 22.630 11.976 1.00 13.24 C ATOM 0 H THR A 369 -7.438 21.447 15.895 1.00 74.12 H new ATOM 0 HA THR A 369 -9.696 21.965 14.002 1.00 72.31 H new ATOM 0 HB THR A 369 -6.856 21.523 13.154 1.00 21.41 H new ATOM 0 HG1 THR A 369 -6.723 23.937 13.444 1.00 24.03 H new ATOM 0 HG21 THR A 369 -7.505 23.094 11.365 1.00 13.24 H new ATOM 0 HG22 THR A 369 -8.670 21.752 11.461 1.00 13.24 H new ATOM 0 HG23 THR A 369 -9.087 23.343 12.141 1.00 13.24 H new ATOM 380 N PHE A 370 -9.555 19.689 12.951 1.00 24.14 N ATOM 381 CA PHE A 370 -9.761 18.290 12.618 1.00 61.24 C ATOM 382 C PHE A 370 -8.431 17.597 12.312 1.00 53.23 C ATOM 383 O PHE A 370 -7.982 16.744 13.075 1.00 61.32 O ATOM 384 CB PHE A 370 -10.641 18.254 11.367 1.00 61.53 C ATOM 385 CG PHE A 370 -10.892 16.845 10.823 1.00 12.43 C ATOM 386 CD1 PHE A 370 -11.612 15.953 11.554 1.00 31.24 C ATOM 387 CD2 PHE A 370 -10.396 16.487 9.609 1.00 23.50 C ATOM 388 CE1 PHE A 370 -11.845 14.646 11.050 1.00 14.01 C ATOM 389 CE2 PHE A 370 -10.629 15.180 9.105 1.00 60.23 C ATOM 390 CZ PHE A 370 -11.349 14.287 9.836 1.00 41.12 C ATOM 0 H PHE A 370 -9.993 20.350 12.309 1.00 24.14 H new ATOM 0 HA PHE A 370 -10.225 17.772 13.457 1.00 61.24 H new ATOM 0 HB2 PHE A 370 -11.599 18.720 11.596 1.00 61.53 H new ATOM 0 HB3 PHE A 370 -10.172 18.855 10.588 1.00 61.53 H new ATOM 0 HD1 PHE A 370 -12.007 16.238 12.518 1.00 31.24 H new ATOM 0 HD2 PHE A 370 -9.825 17.196 9.028 1.00 23.50 H new ATOM 0 HE1 PHE A 370 -12.416 13.937 11.631 1.00 14.01 H new ATOM 0 HE2 PHE A 370 -10.234 14.895 8.141 1.00 60.23 H new ATOM 0 HZ PHE A 370 -11.527 13.293 9.452 1.00 41.12 H new ATOM 400 N GLN A 371 -7.839 17.991 11.194 1.00 73.23 N ATOM 401 CA GLN A 371 -6.570 17.419 10.777 1.00 32.54 C ATOM 402 C GLN A 371 -5.589 17.392 11.951 1.00 34.14 C ATOM 403 O GLN A 371 -4.669 16.577 11.977 1.00 24.33 O ATOM 404 CB GLN A 371 -5.985 18.187 9.591 1.00 2.43 C ATOM 405 CG GLN A 371 -6.013 19.696 9.847 1.00 33.55 C ATOM 406 CD GLN A 371 -7.174 20.356 9.102 1.00 53.54 C ATOM 407 OE1 GLN A 371 -7.156 20.521 7.893 1.00 71.22 O ATOM 408 NE2 GLN A 371 -8.182 20.725 9.887 1.00 33.12 N ATOM 0 H GLN A 371 -8.215 18.700 10.564 1.00 73.23 H new ATOM 0 HA GLN A 371 -6.746 16.394 10.452 1.00 32.54 H new ATOM 0 HB2 GLN A 371 -4.959 17.864 9.414 1.00 2.43 H new ATOM 0 HB3 GLN A 371 -6.552 17.957 8.689 1.00 2.43 H new ATOM 0 HG2 GLN A 371 -6.108 19.886 10.916 1.00 33.55 H new ATOM 0 HG3 GLN A 371 -5.071 20.141 9.527 1.00 33.55 H new ATOM 0 HE21 GLN A 371 -8.133 20.557 10.892 1.00 33.12 H new ATOM 0 HE22 GLN A 371 -9.004 21.175 9.484 1.00 33.12 H new ATOM 417 N LEU A 372 -5.820 18.293 12.894 1.00 12.44 N ATOM 418 CA LEU A 372 -4.968 18.384 14.068 1.00 34.52 C ATOM 419 C LEU A 372 -5.193 17.154 14.951 1.00 4.32 C ATOM 420 O LEU A 372 -6.284 16.908 15.464 1.00 41.22 O ATOM 421 CB LEU A 372 -5.195 19.711 14.794 1.00 44.53 C ATOM 422 CG LEU A 372 -4.060 20.178 15.708 1.00 31.12 C ATOM 423 CD1 LEU A 372 -4.607 20.950 16.910 1.00 11.41 C ATOM 424 CD2 LEU A 372 -3.181 19.001 16.135 1.00 31.34 C ATOM 0 H LEU A 372 -6.585 18.967 12.869 1.00 12.44 H new ATOM 0 HA LEU A 372 -3.917 18.382 13.778 1.00 34.52 H new ATOM 0 HB2 LEU A 372 -5.375 20.485 14.048 1.00 44.53 H new ATOM 0 HB3 LEU A 372 -6.103 19.625 15.390 1.00 44.53 H new ATOM 0 HG LEU A 372 -3.428 20.864 15.145 1.00 31.12 H new ATOM 0 HD11 LEU A 372 -3.780 21.271 17.544 1.00 11.41 H new ATOM 0 HD12 LEU A 372 -5.157 21.824 16.561 1.00 11.41 H new ATOM 0 HD13 LEU A 372 -5.274 20.306 17.483 1.00 11.41 H new ATOM 0 HD21 LEU A 372 -2.382 19.360 16.784 1.00 31.34 H new ATOM 0 HD22 LEU A 372 -3.786 18.272 16.674 1.00 31.34 H new ATOM 0 HD23 LEU A 372 -2.748 18.531 15.252 1.00 31.34 H new ATOM 436 N CYS A 373 -4.124 16.381 15.119 1.00 34.31 N ATOM 437 CA CYS A 373 -4.175 15.172 15.932 1.00 34.02 C ATOM 438 C CYS A 373 -4.747 15.470 17.315 1.00 34.53 C ATOM 439 O CYS A 373 -4.503 16.551 17.848 1.00 51.24 O ATOM 440 CB CYS A 373 -2.779 14.563 16.067 1.00 64.14 C ATOM 441 SG CYS A 373 -2.762 12.896 16.801 1.00 34.51 S ATOM 0 H CYS A 373 -3.212 16.571 14.703 1.00 34.31 H new ATOM 0 HA CYS A 373 -4.829 14.457 15.433 1.00 34.02 H new ATOM 0 HB2 CYS A 373 -2.317 14.519 15.081 1.00 64.14 H new ATOM 0 HB3 CYS A 373 -2.164 15.224 16.678 1.00 64.14 H new ATOM 446 N LYS A 374 -5.488 14.515 17.860 1.00 40.41 N ATOM 447 CA LYS A 374 -6.085 14.689 19.173 1.00 3.03 C ATOM 448 C LYS A 374 -5.280 13.894 20.203 1.00 30.34 C ATOM 449 O LYS A 374 -5.804 13.520 21.252 1.00 40.43 O ATOM 450 CB LYS A 374 -7.570 14.325 19.139 1.00 33.13 C ATOM 451 CG LYS A 374 -8.312 15.145 18.082 1.00 42.32 C ATOM 452 CD LYS A 374 -7.836 16.599 18.083 1.00 11.51 C ATOM 453 CE LYS A 374 -8.671 17.450 17.124 1.00 11.30 C ATOM 454 NZ LYS A 374 -10.040 17.636 17.654 1.00 34.21 N ATOM 0 H LYS A 374 -5.688 13.619 17.416 1.00 40.41 H new ATOM 0 HA LYS A 374 -6.045 15.736 19.475 1.00 3.03 H new ATOM 0 HB2 LYS A 374 -7.683 13.262 18.925 1.00 33.13 H new ATOM 0 HB3 LYS A 374 -8.014 14.502 20.119 1.00 33.13 H new ATOM 0 HG2 LYS A 374 -8.151 14.706 17.097 1.00 42.32 H new ATOM 0 HG3 LYS A 374 -9.384 15.109 18.275 1.00 42.32 H new ATOM 0 HD2 LYS A 374 -7.905 17.007 19.091 1.00 11.51 H new ATOM 0 HD3 LYS A 374 -6.786 16.642 17.793 1.00 11.51 H new ATOM 0 HE2 LYS A 374 -8.195 18.420 16.981 1.00 11.30 H new ATOM 0 HE3 LYS A 374 -8.715 16.970 16.147 1.00 11.30 H new ATOM 0 HZ1 LYS A 374 -10.397 18.571 17.372 1.00 34.21 H new ATOM 0 HZ2 LYS A 374 -10.664 16.897 17.271 1.00 34.21 H new ATOM 0 HZ3 LYS A 374 -10.022 17.570 18.692 1.00 34.21 H new ATOM 467 N ILE A 375 -4.020 13.658 19.869 1.00 61.03 N ATOM 468 CA ILE A 375 -3.138 12.914 20.752 1.00 62.24 C ATOM 469 C ILE A 375 -2.065 13.854 21.305 1.00 53.31 C ATOM 470 O ILE A 375 -1.829 13.891 22.511 1.00 30.45 O ATOM 471 CB ILE A 375 -2.570 11.688 20.033 1.00 42.42 C ATOM 472 CG1 ILE A 375 -3.691 10.760 19.562 1.00 53.32 C ATOM 473 CG2 ILE A 375 -1.554 10.958 20.913 1.00 5.44 C ATOM 474 CD1 ILE A 375 -3.122 9.506 18.896 1.00 24.12 C ATOM 0 H ILE A 375 -3.589 13.969 18.999 1.00 61.03 H new ATOM 0 HA ILE A 375 -3.693 12.526 21.606 1.00 62.24 H new ATOM 0 HB ILE A 375 -2.040 12.029 19.144 1.00 42.42 H new ATOM 0 HG12 ILE A 375 -4.313 10.475 20.411 1.00 53.32 H new ATOM 0 HG13 ILE A 375 -4.335 11.289 18.859 1.00 53.32 H new ATOM 0 HG21 ILE A 375 -1.166 10.091 20.378 1.00 5.44 H new ATOM 0 HG22 ILE A 375 -0.733 11.632 21.156 1.00 5.44 H new ATOM 0 HG23 ILE A 375 -2.038 10.630 21.833 1.00 5.44 H new ATOM 0 HD11 ILE A 375 -3.940 8.864 18.571 1.00 24.12 H new ATOM 0 HD12 ILE A 375 -2.521 9.793 18.033 1.00 24.12 H new ATOM 0 HD13 ILE A 375 -2.499 8.966 19.609 1.00 24.12 H new ATOM 486 N CYS A 376 -1.445 14.592 20.396 1.00 3.11 N ATOM 487 CA CYS A 376 -0.403 15.530 20.778 1.00 2.12 C ATOM 488 C CYS A 376 -0.948 16.949 20.606 1.00 4.42 C ATOM 489 O CYS A 376 -0.581 17.854 21.355 1.00 34.32 O ATOM 490 CB CYS A 376 0.880 15.310 19.973 1.00 33.34 C ATOM 491 SG CYS A 376 1.284 13.556 19.639 1.00 10.51 S ATOM 0 H CYS A 376 -1.644 14.559 19.396 1.00 3.11 H new ATOM 0 HA CYS A 376 -0.131 15.370 21.821 1.00 2.12 H new ATOM 0 HB2 CYS A 376 0.790 15.835 19.022 1.00 33.34 H new ATOM 0 HB3 CYS A 376 1.712 15.764 20.511 1.00 33.34 H new ATOM 496 N ALA A 377 -1.814 17.100 19.615 1.00 1.41 N ATOM 497 CA ALA A 377 -2.413 18.394 19.335 1.00 2.33 C ATOM 498 C ALA A 377 -1.312 19.395 18.978 1.00 24.30 C ATOM 499 O ALA A 377 -1.462 20.595 19.201 1.00 32.11 O ATOM 500 CB ALA A 377 -3.241 18.845 20.540 1.00 33.20 C ATOM 0 H ALA A 377 -2.115 16.348 18.996 1.00 1.41 H new ATOM 0 HA ALA A 377 -3.088 18.327 18.482 1.00 2.33 H new ATOM 0 HB1 ALA A 377 -3.690 19.816 20.330 1.00 33.20 H new ATOM 0 HB2 ALA A 377 -4.027 18.116 20.735 1.00 33.20 H new ATOM 0 HB3 ALA A 377 -2.596 18.925 21.415 1.00 33.20 H new ATOM 506 N GLU A 378 -0.229 18.863 18.429 1.00 10.34 N ATOM 507 CA GLU A 378 0.897 19.695 18.039 1.00 21.41 C ATOM 508 C GLU A 378 1.187 19.529 16.546 1.00 53.11 C ATOM 509 O GLU A 378 1.485 20.503 15.856 1.00 22.22 O ATOM 510 CB GLU A 378 2.135 19.369 18.877 1.00 1.31 C ATOM 511 CG GLU A 378 3.336 20.205 18.429 1.00 53.30 C ATOM 512 CD GLU A 378 4.531 19.992 19.360 1.00 34.05 C ATOM 513 OE1 GLU A 378 4.819 18.850 19.747 1.00 20.32 O ATOM 514 OE2 GLU A 378 5.170 21.065 19.681 1.00 1.34 O ATOM 0 H GLU A 378 -0.108 17.867 18.245 1.00 10.34 H new ATOM 0 HA GLU A 378 0.636 20.737 18.225 1.00 21.41 H new ATOM 0 HB2 GLU A 378 1.927 19.560 19.930 1.00 1.31 H new ATOM 0 HB3 GLU A 378 2.371 18.309 18.786 1.00 1.31 H new ATOM 0 HG2 GLU A 378 3.612 19.934 17.410 1.00 53.30 H new ATOM 0 HG3 GLU A 378 3.064 21.261 18.416 1.00 53.30 H new ATOM 522 N ASN A 379 1.088 18.289 16.091 1.00 63.24 N ATOM 523 CA ASN A 379 1.336 17.983 14.692 1.00 40.22 C ATOM 524 C ASN A 379 0.044 17.474 14.049 1.00 43.10 C ATOM 525 O ASN A 379 -0.933 17.199 14.744 1.00 43.31 O ATOM 526 CB ASN A 379 2.399 16.892 14.546 1.00 15.21 C ATOM 527 CG ASN A 379 2.288 15.865 15.674 1.00 33.34 C ATOM 528 OD1 ASN A 379 1.249 15.689 16.289 1.00 13.44 O ATOM 529 ND2 ASN A 379 3.414 15.198 15.911 1.00 74.50 N ATOM 0 H ASN A 379 0.839 17.484 16.666 1.00 63.24 H new ATOM 0 HA ASN A 379 1.685 18.893 14.205 1.00 40.22 H new ATOM 0 HB2 ASN A 379 2.284 16.394 13.583 1.00 15.21 H new ATOM 0 HB3 ASN A 379 3.392 17.342 14.556 1.00 15.21 H new ATOM 0 HD21 ASN A 379 3.443 14.490 16.645 1.00 74.50 H new ATOM 0 HD22 ASN A 379 4.249 15.394 15.359 1.00 74.50 H new ATOM 536 N ASP A 380 0.081 17.364 12.729 1.00 24.42 N ATOM 537 CA ASP A 380 -1.074 16.892 11.985 1.00 51.32 C ATOM 538 C ASP A 380 -1.036 15.365 11.905 1.00 24.11 C ATOM 539 O ASP A 380 -0.011 14.750 12.198 1.00 52.14 O ATOM 540 CB ASP A 380 -1.070 17.441 10.557 1.00 72.45 C ATOM 541 CG ASP A 380 0.293 17.428 9.863 1.00 44.12 C ATOM 542 OD1 ASP A 380 1.305 17.016 10.450 1.00 71.01 O ATOM 543 OD2 ASP A 380 0.293 17.871 8.651 1.00 12.33 O ATOM 0 H ASP A 380 0.893 17.594 12.156 1.00 24.42 H new ATOM 0 HA ASP A 380 -1.971 17.235 12.501 1.00 51.32 H new ATOM 0 HB2 ASP A 380 -1.771 16.860 9.958 1.00 72.45 H new ATOM 0 HB3 ASP A 380 -1.441 18.466 10.577 1.00 72.45 H new ATOM 549 N LYS A 381 -2.164 14.796 11.508 1.00 53.35 N ATOM 550 CA LYS A 381 -2.273 13.352 11.386 1.00 45.54 C ATOM 551 C LYS A 381 -1.371 12.872 10.247 1.00 44.22 C ATOM 552 O LYS A 381 -0.432 12.111 10.473 1.00 24.50 O ATOM 553 CB LYS A 381 -3.736 12.936 11.228 1.00 54.30 C ATOM 554 CG LYS A 381 -4.568 13.393 12.428 1.00 34.42 C ATOM 555 CD LYS A 381 -5.983 13.785 11.997 1.00 10.13 C ATOM 556 CE LYS A 381 -6.982 13.574 13.137 1.00 3.42 C ATOM 557 NZ LYS A 381 -8.370 13.618 12.625 1.00 65.41 N ATOM 0 H LYS A 381 -3.012 15.309 11.266 1.00 53.35 H new ATOM 0 HA LYS A 381 -1.924 12.865 12.297 1.00 45.54 H new ATOM 0 HB2 LYS A 381 -4.144 13.366 10.313 1.00 54.30 H new ATOM 0 HB3 LYS A 381 -3.801 11.853 11.127 1.00 54.30 H new ATOM 0 HG2 LYS A 381 -4.618 12.593 13.167 1.00 34.42 H new ATOM 0 HG3 LYS A 381 -4.082 14.242 12.910 1.00 34.42 H new ATOM 0 HD2 LYS A 381 -5.996 14.830 11.686 1.00 10.13 H new ATOM 0 HD3 LYS A 381 -6.281 13.191 11.133 1.00 10.13 H new ATOM 0 HE2 LYS A 381 -6.796 12.614 13.618 1.00 3.42 H new ATOM 0 HE3 LYS A 381 -6.844 14.343 13.897 1.00 3.42 H new ATOM 0 HZ1 LYS A 381 -8.930 12.866 13.074 1.00 65.41 H new ATOM 0 HZ2 LYS A 381 -8.792 14.542 12.846 1.00 65.41 H new ATOM 0 HZ3 LYS A 381 -8.365 13.477 11.595 1.00 65.41 H new ATOM 570 N ASP A 382 -1.687 13.337 9.047 1.00 15.34 N ATOM 571 CA ASP A 382 -0.917 12.965 7.873 1.00 75.32 C ATOM 572 C ASP A 382 -0.982 11.447 7.686 1.00 1.53 C ATOM 573 O ASP A 382 -0.129 10.864 7.020 1.00 24.40 O ATOM 574 CB ASP A 382 0.552 13.360 8.030 1.00 62.33 C ATOM 575 CG ASP A 382 1.289 13.645 6.719 1.00 15.22 C ATOM 576 OD1 ASP A 382 1.179 12.884 5.746 1.00 13.52 O ATOM 577 OD2 ASP A 382 2.010 14.715 6.721 1.00 72.30 O ATOM 0 H ASP A 382 -2.467 13.969 8.863 1.00 15.34 H new ATOM 0 HA ASP A 382 -1.340 13.485 7.013 1.00 75.32 H new ATOM 0 HB2 ASP A 382 0.609 14.247 8.661 1.00 62.33 H new ATOM 0 HB3 ASP A 382 1.073 12.560 8.556 1.00 62.33 H new ATOM 583 N VAL A 383 -2.002 10.852 8.287 1.00 51.44 N ATOM 584 CA VAL A 383 -2.189 9.414 8.195 1.00 10.30 C ATOM 585 C VAL A 383 -3.680 9.090 8.309 1.00 61.11 C ATOM 586 O VAL A 383 -4.497 9.980 8.538 1.00 41.51 O ATOM 587 CB VAL A 383 -1.341 8.708 9.255 1.00 61.25 C ATOM 588 CG1 VAL A 383 -2.121 8.542 10.560 1.00 1.22 C ATOM 589 CG2 VAL A 383 -0.837 7.357 8.742 1.00 45.31 C ATOM 0 H VAL A 383 -2.707 11.340 8.839 1.00 51.44 H new ATOM 0 HA VAL A 383 -1.849 9.045 7.227 1.00 10.30 H new ATOM 0 HB VAL A 383 -0.473 9.334 9.461 1.00 61.25 H new ATOM 0 HG11 VAL A 383 -1.495 8.037 11.296 1.00 1.22 H new ATOM 0 HG12 VAL A 383 -2.409 9.523 10.939 1.00 1.22 H new ATOM 0 HG13 VAL A 383 -3.016 7.947 10.376 1.00 1.22 H new ATOM 0 HG21 VAL A 383 -0.237 6.875 9.514 1.00 45.31 H new ATOM 0 HG22 VAL A 383 -1.687 6.722 8.494 1.00 45.31 H new ATOM 0 HG23 VAL A 383 -0.227 7.510 7.852 1.00 45.31 H new ATOM 599 N LYS A 384 -3.989 7.812 8.144 1.00 51.23 N ATOM 600 CA LYS A 384 -5.367 7.359 8.225 1.00 13.21 C ATOM 601 C LYS A 384 -5.390 5.862 8.542 1.00 42.55 C ATOM 602 O LYS A 384 -4.422 5.153 8.272 1.00 22.15 O ATOM 603 CB LYS A 384 -6.129 7.730 6.951 1.00 33.01 C ATOM 604 CG LYS A 384 -7.489 7.030 6.902 1.00 11.33 C ATOM 605 CD LYS A 384 -8.379 7.636 5.815 1.00 64.03 C ATOM 606 CE LYS A 384 -9.468 6.651 5.386 1.00 51.00 C ATOM 607 NZ LYS A 384 -9.013 5.846 4.230 1.00 14.30 N ATOM 0 H LYS A 384 -3.309 7.076 7.955 1.00 51.23 H new ATOM 0 HA LYS A 384 -5.887 7.865 9.038 1.00 13.21 H new ATOM 0 HB2 LYS A 384 -6.270 8.810 6.909 1.00 33.01 H new ATOM 0 HB3 LYS A 384 -5.541 7.451 6.077 1.00 33.01 H new ATOM 0 HG2 LYS A 384 -7.348 5.966 6.710 1.00 11.33 H new ATOM 0 HG3 LYS A 384 -7.982 7.117 7.870 1.00 11.33 H new ATOM 0 HD2 LYS A 384 -8.838 8.553 6.185 1.00 64.03 H new ATOM 0 HD3 LYS A 384 -7.771 7.910 4.953 1.00 64.03 H new ATOM 0 HE2 LYS A 384 -9.720 5.993 6.218 1.00 51.00 H new ATOM 0 HE3 LYS A 384 -10.375 7.195 5.123 1.00 51.00 H new ATOM 0 HZ1 LYS A 384 -9.764 5.183 3.952 1.00 14.30 H new ATOM 0 HZ2 LYS A 384 -8.795 6.477 3.432 1.00 14.30 H new ATOM 0 HZ3 LYS A 384 -8.160 5.312 4.493 1.00 14.30 H new ATOM 620 N ILE A 385 -6.505 5.427 9.108 1.00 32.34 N ATOM 621 CA ILE A 385 -6.667 4.027 9.464 1.00 5.24 C ATOM 622 C ILE A 385 -7.907 3.467 8.765 1.00 10.44 C ATOM 623 O ILE A 385 -8.903 4.170 8.604 1.00 15.43 O ATOM 624 CB ILE A 385 -6.690 3.860 10.985 1.00 4.41 C ATOM 625 CG1 ILE A 385 -5.534 4.622 11.638 1.00 54.31 C ATOM 626 CG2 ILE A 385 -6.693 2.381 11.374 1.00 22.33 C ATOM 627 CD1 ILE A 385 -4.197 3.930 11.365 1.00 35.02 C ATOM 0 H ILE A 385 -7.306 6.019 9.329 1.00 32.34 H new ATOM 0 HA ILE A 385 -5.814 3.444 9.115 1.00 5.24 H new ATOM 0 HB ILE A 385 -7.616 4.294 11.362 1.00 4.41 H new ATOM 0 HG12 ILE A 385 -5.504 5.642 11.255 1.00 54.31 H new ATOM 0 HG13 ILE A 385 -5.700 4.690 12.713 1.00 54.31 H new ATOM 0 HG21 ILE A 385 -6.709 2.290 12.460 1.00 22.33 H new ATOM 0 HG22 ILE A 385 -7.576 1.897 10.956 1.00 22.33 H new ATOM 0 HG23 ILE A 385 -5.796 1.900 10.983 1.00 22.33 H new ATOM 0 HD11 ILE A 385 -3.393 4.492 11.840 1.00 35.02 H new ATOM 0 HD12 ILE A 385 -4.221 2.918 11.770 1.00 35.02 H new ATOM 0 HD13 ILE A 385 -4.023 3.886 10.290 1.00 35.02 H new ATOM 639 N GLU A 386 -7.806 2.207 8.369 1.00 4.21 N ATOM 640 CA GLU A 386 -8.907 1.545 7.691 1.00 30.01 C ATOM 641 C GLU A 386 -9.077 0.120 8.222 1.00 53.10 C ATOM 642 O GLU A 386 -8.170 -0.426 8.847 1.00 5.10 O ATOM 643 CB GLU A 386 -8.697 1.544 6.176 1.00 61.03 C ATOM 644 CG GLU A 386 -9.544 2.627 5.504 1.00 23.00 C ATOM 645 CD GLU A 386 -9.704 2.348 4.008 1.00 12.31 C ATOM 646 OE1 GLU A 386 -8.704 2.138 3.306 1.00 51.01 O ATOM 647 OE2 GLU A 386 -10.921 2.354 3.580 1.00 31.10 O ATOM 0 H GLU A 386 -6.978 1.627 8.505 1.00 4.21 H new ATOM 0 HA GLU A 386 -9.822 2.101 7.897 1.00 30.01 H new ATOM 0 HB2 GLU A 386 -7.643 1.710 5.951 1.00 61.03 H new ATOM 0 HB3 GLU A 386 -8.960 0.567 5.770 1.00 61.03 H new ATOM 0 HG2 GLU A 386 -10.525 2.672 5.976 1.00 23.00 H new ATOM 0 HG3 GLU A 386 -9.076 3.601 5.648 1.00 23.00 H new ATOM 655 N PRO A 387 -10.278 -0.456 7.946 1.00 21.34 N ATOM 656 CA PRO A 387 -11.298 0.260 7.200 1.00 13.02 C ATOM 657 C PRO A 387 -11.970 1.323 8.072 1.00 42.44 C ATOM 658 O PRO A 387 -12.701 2.192 7.596 1.00 20.42 O ATOM 659 CB PRO A 387 -12.263 -0.813 6.723 1.00 32.23 C ATOM 660 CG PRO A 387 -12.007 -2.025 7.604 1.00 31.23 C ATOM 661 CD PRO A 387 -10.694 -1.800 8.336 1.00 32.33 C ATOM 0 HA PRO A 387 -10.890 0.814 6.355 1.00 13.02 H new ATOM 0 HB2 PRO A 387 -13.296 -0.477 6.812 1.00 32.23 H new ATOM 0 HB3 PRO A 387 -12.094 -1.051 5.673 1.00 32.23 H new ATOM 0 HG2 PRO A 387 -12.822 -2.159 8.315 1.00 31.23 H new ATOM 0 HG3 PRO A 387 -11.957 -2.932 7.001 1.00 31.23 H new ATOM 0 HD2 PRO A 387 -10.824 -1.877 9.415 1.00 32.33 H new ATOM 0 HD3 PRO A 387 -9.949 -2.543 8.051 1.00 32.33 H new ATOM 669 N CYS A 388 -11.703 1.236 9.371 1.00 22.40 N ATOM 670 CA CYS A 388 -12.267 2.174 10.333 1.00 4.41 C ATOM 671 C CYS A 388 -12.349 3.578 9.740 1.00 14.12 C ATOM 672 O CYS A 388 -13.449 4.042 9.443 1.00 72.33 O ATOM 673 CB CYS A 388 -11.424 2.197 11.609 1.00 2.45 C ATOM 674 SG CYS A 388 -9.650 1.884 11.334 1.00 31.35 S ATOM 0 H CYS A 388 -11.099 0.524 9.781 1.00 22.40 H new ATOM 0 HA CYS A 388 -13.276 1.842 10.578 1.00 4.41 H new ATOM 0 HB2 CYS A 388 -11.540 3.168 12.091 1.00 2.45 H new ATOM 0 HB3 CYS A 388 -11.811 1.449 12.301 1.00 2.45 H new ATOM 679 N GLY A 389 -11.199 4.216 9.584 1.00 1.21 N ATOM 680 CA GLY A 389 -11.157 5.559 9.030 1.00 62.44 C ATOM 681 C GLY A 389 -10.635 6.562 10.061 1.00 72.45 C ATOM 682 O GLY A 389 -10.832 7.767 9.914 1.00 62.02 O ATOM 0 H GLY A 389 -10.289 3.828 9.831 1.00 1.21 H new ATOM 0 HA2 GLY A 389 -10.517 5.572 8.148 1.00 62.44 H new ATOM 0 HA3 GLY A 389 -12.155 5.853 8.704 1.00 62.44 H new ATOM 686 N HIS A 390 -9.980 6.027 11.081 1.00 74.24 N ATOM 687 CA HIS A 390 -9.429 6.860 12.136 1.00 51.14 C ATOM 688 C HIS A 390 -8.163 7.556 11.631 1.00 32.03 C ATOM 689 O HIS A 390 -7.426 6.999 10.820 1.00 43.15 O ATOM 690 CB HIS A 390 -9.190 6.041 13.405 1.00 4.05 C ATOM 691 CG HIS A 390 -10.372 5.202 13.827 1.00 60.41 C ATOM 692 ND1 HIS A 390 -10.265 3.856 14.132 1.00 33.13 N ATOM 693 CD2 HIS A 390 -11.685 5.531 13.991 1.00 34.24 C ATOM 694 CE1 HIS A 390 -11.466 3.406 14.463 1.00 35.42 C ATOM 695 NE2 HIS A 390 -12.345 4.445 14.375 1.00 74.13 N ATOM 0 H HIS A 390 -9.819 5.027 11.199 1.00 74.24 H new ATOM 0 HA HIS A 390 -10.146 7.636 12.404 1.00 51.14 H new ATOM 0 HB2 HIS A 390 -8.332 5.388 13.247 1.00 4.05 H new ATOM 0 HB3 HIS A 390 -8.930 6.718 14.218 1.00 4.05 H new ATOM 0 HD2 HIS A 390 -12.115 6.509 13.835 1.00 34.24 H new ATOM 0 HE1 HIS A 390 -11.707 2.394 14.752 1.00 35.42 H new ATOM 0 HE2 HIS A 390 -13.345 4.396 14.572 1.00 74.13 H new ATOM 703 N LEU A 391 -7.950 8.763 12.133 1.00 15.45 N ATOM 704 CA LEU A 391 -6.787 9.541 11.744 1.00 4.42 C ATOM 705 C LEU A 391 -5.907 9.784 12.972 1.00 65.30 C ATOM 706 O LEU A 391 -6.388 9.742 14.103 1.00 22.22 O ATOM 707 CB LEU A 391 -7.215 10.826 11.031 1.00 23.23 C ATOM 708 CG LEU A 391 -8.507 10.742 10.216 1.00 64.53 C ATOM 709 CD1 LEU A 391 -8.407 9.657 9.141 1.00 3.21 C ATOM 710 CD2 LEU A 391 -9.718 10.535 11.127 1.00 1.33 C ATOM 0 H LEU A 391 -8.564 9.221 12.806 1.00 15.45 H new ATOM 0 HA LEU A 391 -6.184 8.989 11.023 1.00 4.42 H new ATOM 0 HB2 LEU A 391 -7.330 11.611 11.778 1.00 23.23 H new ATOM 0 HB3 LEU A 391 -6.409 11.135 10.366 1.00 23.23 H new ATOM 0 HG LEU A 391 -8.649 11.693 9.703 1.00 64.53 H new ATOM 0 HD11 LEU A 391 -9.338 9.618 8.576 1.00 3.21 H new ATOM 0 HD12 LEU A 391 -7.583 9.888 8.466 1.00 3.21 H new ATOM 0 HD13 LEU A 391 -8.229 8.691 9.614 1.00 3.21 H new ATOM 0 HD21 LEU A 391 -10.623 10.479 10.522 1.00 1.33 H new ATOM 0 HD22 LEU A 391 -9.598 9.608 11.687 1.00 1.33 H new ATOM 0 HD23 LEU A 391 -9.798 11.371 11.822 1.00 1.33 H new ATOM 722 N MET A 392 -4.632 10.032 12.707 1.00 32.23 N ATOM 723 CA MET A 392 -3.680 10.281 13.777 1.00 75.23 C ATOM 724 C MET A 392 -2.331 10.732 13.215 1.00 4.13 C ATOM 725 O MET A 392 -2.126 10.729 12.002 1.00 33.43 O ATOM 726 CB MET A 392 -3.491 9.005 14.599 1.00 62.41 C ATOM 727 CG MET A 392 -2.813 7.913 13.768 1.00 21.02 C ATOM 728 SD MET A 392 -2.880 6.355 14.636 1.00 33.23 S ATOM 729 CE MET A 392 -4.648 6.165 14.795 1.00 30.31 C ATOM 0 H MET A 392 -4.236 10.066 11.767 1.00 32.23 H new ATOM 0 HA MET A 392 -4.073 11.076 14.411 1.00 75.23 H new ATOM 0 HB2 MET A 392 -2.889 9.222 15.481 1.00 62.41 H new ATOM 0 HB3 MET A 392 -4.459 8.650 14.953 1.00 62.41 H new ATOM 0 HG2 MET A 392 -3.307 7.821 12.801 1.00 21.02 H new ATOM 0 HG3 MET A 392 -1.776 8.185 13.572 1.00 21.02 H new ATOM 0 HE1 MET A 392 -4.871 5.195 15.239 1.00 30.31 H new ATOM 0 HE2 MET A 392 -5.043 6.955 15.433 1.00 30.31 H new ATOM 0 HE3 MET A 392 -5.111 6.229 13.810 1.00 30.31 H new ATOM 739 N CYS A 393 -1.444 11.110 14.125 1.00 70.34 N ATOM 740 CA CYS A 393 -0.119 11.563 13.735 1.00 34.33 C ATOM 741 C CYS A 393 0.839 10.373 13.819 1.00 40.10 C ATOM 742 O CYS A 393 0.933 9.719 14.856 1.00 20.14 O ATOM 743 CB CYS A 393 0.352 12.737 14.595 1.00 1.13 C ATOM 744 SG CYS A 393 0.419 12.394 16.392 1.00 42.43 S ATOM 0 H CYS A 393 -1.617 11.112 15.130 1.00 70.34 H new ATOM 0 HA CYS A 393 -0.145 11.935 12.711 1.00 34.33 H new ATOM 0 HB2 CYS A 393 1.344 13.040 14.260 1.00 1.13 H new ATOM 0 HB3 CYS A 393 -0.314 13.583 14.425 1.00 1.13 H new ATOM 749 N THR A 394 1.526 10.129 12.713 1.00 63.11 N ATOM 750 CA THR A 394 2.474 9.029 12.648 1.00 1.51 C ATOM 751 C THR A 394 3.488 9.131 13.790 1.00 55.12 C ATOM 752 O THR A 394 3.638 8.197 14.576 1.00 15.54 O ATOM 753 CB THR A 394 3.119 9.042 11.261 1.00 74.04 C ATOM 754 OG1 THR A 394 2.025 9.251 10.372 1.00 52.04 O ATOM 755 CG2 THR A 394 3.669 7.672 10.858 1.00 2.33 C ATOM 0 H THR A 394 1.445 10.674 11.855 1.00 63.11 H new ATOM 0 HA THR A 394 1.975 8.069 12.782 1.00 1.51 H new ATOM 0 HB THR A 394 3.924 9.776 11.242 1.00 74.04 H new ATOM 0 HG1 THR A 394 2.353 9.275 9.449 1.00 52.04 H new ATOM 0 HG21 THR A 394 4.116 7.737 9.866 1.00 2.33 H new ATOM 0 HG22 THR A 394 4.426 7.358 11.577 1.00 2.33 H new ATOM 0 HG23 THR A 394 2.858 6.944 10.844 1.00 2.33 H new ATOM 763 N SER A 395 4.157 10.273 13.844 1.00 10.11 N ATOM 764 CA SER A 395 5.152 10.509 14.876 1.00 30.15 C ATOM 765 C SER A 395 4.624 10.031 16.231 1.00 42.32 C ATOM 766 O SER A 395 5.398 9.607 17.088 1.00 13.30 O ATOM 767 CB SER A 395 5.532 11.989 14.947 1.00 1.20 C ATOM 768 OG SER A 395 6.853 12.178 15.446 1.00 25.13 O ATOM 0 H SER A 395 4.030 11.045 13.190 1.00 10.11 H new ATOM 0 HA SER A 395 6.049 9.943 14.622 1.00 30.15 H new ATOM 0 HB2 SER A 395 5.453 12.432 13.954 1.00 1.20 H new ATOM 0 HB3 SER A 395 4.824 12.515 15.588 1.00 1.20 H new ATOM 0 HG SER A 395 7.058 13.136 15.475 1.00 25.13 H new ATOM 774 N CYS A 396 3.311 10.116 16.381 1.00 14.23 N ATOM 775 CA CYS A 396 2.670 9.698 17.617 1.00 63.12 C ATOM 776 C CYS A 396 2.520 8.176 17.589 1.00 61.45 C ATOM 777 O CYS A 396 2.931 7.490 18.524 1.00 51.33 O ATOM 778 CB CYS A 396 1.327 10.400 17.823 1.00 12.35 C ATOM 779 SG CYS A 396 1.254 12.117 17.195 1.00 11.41 S ATOM 0 H CYS A 396 2.673 10.468 15.667 1.00 14.23 H new ATOM 0 HA CYS A 396 3.290 9.986 18.466 1.00 63.12 H new ATOM 0 HB2 CYS A 396 0.549 9.815 17.333 1.00 12.35 H new ATOM 0 HB3 CYS A 396 1.097 10.408 18.888 1.00 12.35 H new ATOM 784 N LEU A 397 1.930 7.691 16.506 1.00 41.24 N ATOM 785 CA LEU A 397 1.721 6.262 16.343 1.00 15.53 C ATOM 786 C LEU A 397 2.986 5.514 16.766 1.00 4.43 C ATOM 787 O LEU A 397 2.908 4.445 17.369 1.00 74.01 O ATOM 788 CB LEU A 397 1.267 5.946 14.917 1.00 41.23 C ATOM 789 CG LEU A 397 1.350 4.477 14.497 1.00 44.35 C ATOM 790 CD1 LEU A 397 2.804 4.051 14.280 1.00 74.31 C ATOM 791 CD2 LEU A 397 0.633 3.577 15.504 1.00 10.24 C ATOM 0 H LEU A 397 1.590 8.262 15.733 1.00 41.24 H new ATOM 0 HA LEU A 397 0.916 5.919 16.992 1.00 15.53 H new ATOM 0 HB2 LEU A 397 0.235 6.278 14.803 1.00 41.23 H new ATOM 0 HB3 LEU A 397 1.869 6.536 14.226 1.00 41.23 H new ATOM 0 HG LEU A 397 0.835 4.365 13.543 1.00 44.35 H new ATOM 0 HD11 LEU A 397 2.835 3.003 13.982 1.00 74.31 H new ATOM 0 HD12 LEU A 397 3.250 4.664 13.497 1.00 74.31 H new ATOM 0 HD13 LEU A 397 3.364 4.182 15.206 1.00 74.31 H new ATOM 0 HD21 LEU A 397 0.707 2.539 15.181 1.00 10.24 H new ATOM 0 HD22 LEU A 397 1.097 3.686 16.484 1.00 10.24 H new ATOM 0 HD23 LEU A 397 -0.417 3.864 15.565 1.00 10.24 H new ATOM 803 N THR A 398 4.124 6.107 16.434 1.00 21.51 N ATOM 804 CA THR A 398 5.405 5.510 16.772 1.00 60.40 C ATOM 805 C THR A 398 5.543 5.366 18.289 1.00 74.41 C ATOM 806 O THR A 398 5.939 4.311 18.783 1.00 72.15 O ATOM 807 CB THR A 398 6.506 6.364 16.140 1.00 20.33 C ATOM 808 OG1 THR A 398 6.673 5.808 14.839 1.00 70.11 O ATOM 809 CG2 THR A 398 7.865 6.156 16.811 1.00 5.41 C ATOM 0 H THR A 398 4.185 6.994 15.935 1.00 21.51 H new ATOM 0 HA THR A 398 5.488 4.499 16.372 1.00 60.40 H new ATOM 0 HB THR A 398 6.228 7.416 16.200 1.00 20.33 H new ATOM 0 HG1 THR A 398 7.368 6.304 14.358 1.00 70.11 H new ATOM 0 HG21 THR A 398 8.611 6.785 16.325 1.00 5.41 H new ATOM 0 HG22 THR A 398 7.795 6.425 17.865 1.00 5.41 H new ATOM 0 HG23 THR A 398 8.159 5.110 16.722 1.00 5.41 H new ATOM 817 N ALA A 399 5.208 6.441 18.986 1.00 13.30 N ATOM 818 CA ALA A 399 5.289 6.448 20.437 1.00 51.12 C ATOM 819 C ALA A 399 4.412 5.327 20.998 1.00 71.24 C ATOM 820 O ALA A 399 4.618 4.878 22.124 1.00 34.41 O ATOM 821 CB ALA A 399 4.882 7.826 20.965 1.00 65.55 C ATOM 0 H ALA A 399 4.880 7.314 18.573 1.00 13.30 H new ATOM 0 HA ALA A 399 6.312 6.262 20.765 1.00 51.12 H new ATOM 0 HB1 ALA A 399 4.943 7.831 22.053 1.00 65.55 H new ATOM 0 HB2 ALA A 399 5.553 8.583 20.560 1.00 65.55 H new ATOM 0 HB3 ALA A 399 3.860 8.046 20.658 1.00 65.55 H new ATOM 827 N TRP A 400 3.453 4.907 20.186 1.00 54.11 N ATOM 828 CA TRP A 400 2.544 3.847 20.587 1.00 75.10 C ATOM 829 C TRP A 400 3.214 2.507 20.277 1.00 72.10 C ATOM 830 O TRP A 400 3.521 1.737 21.186 1.00 55.10 O ATOM 831 CB TRP A 400 1.182 4.006 19.907 1.00 21.32 C ATOM 832 CG TRP A 400 0.415 2.693 19.737 1.00 13.10 C ATOM 833 CD1 TRP A 400 0.211 1.996 18.611 1.00 43.45 C ATOM 834 CD2 TRP A 400 -0.248 1.943 20.777 1.00 4.22 C ATOM 835 NE1 TRP A 400 -0.531 0.857 18.847 1.00 4.14 N ATOM 836 CE2 TRP A 400 -0.818 0.824 20.207 1.00 74.30 C ATOM 837 CE3 TRP A 400 -0.360 2.202 22.155 1.00 54.35 C ATOM 838 CZ2 TRP A 400 -1.542 -0.125 20.939 1.00 24.41 C ATOM 839 CZ3 TRP A 400 -1.086 1.244 22.872 1.00 14.23 C ATOM 840 CH2 TRP A 400 -1.667 0.112 22.313 1.00 32.00 C ATOM 0 H TRP A 400 3.286 5.282 19.252 1.00 54.11 H new ATOM 0 HA TRP A 400 2.343 3.896 21.657 1.00 75.10 H new ATOM 0 HB2 TRP A 400 0.574 4.697 20.491 1.00 21.32 H new ATOM 0 HB3 TRP A 400 1.327 4.460 18.927 1.00 21.32 H new ATOM 0 HD1 TRP A 400 0.581 2.289 17.640 1.00 43.45 H new ATOM 0 HE1 TRP A 400 -0.816 0.167 18.152 1.00 4.14 H new ATOM 0 HE3 TRP A 400 0.079 3.071 22.623 1.00 54.35 H new ATOM 0 HZ2 TRP A 400 -1.980 -0.993 20.469 1.00 24.41 H new ATOM 0 HZ3 TRP A 400 -1.203 1.395 23.935 1.00 14.23 H new ATOM 0 HH2 TRP A 400 -2.212 -0.582 22.936 1.00 32.00 H new ATOM 851 N GLN A 401 3.422 2.269 18.990 1.00 14.32 N ATOM 852 CA GLN A 401 4.050 1.036 18.549 1.00 71.41 C ATOM 853 C GLN A 401 5.373 0.820 19.287 1.00 50.44 C ATOM 854 O GLN A 401 5.907 -0.288 19.301 1.00 51.45 O ATOM 855 CB GLN A 401 4.261 1.040 17.034 1.00 64.43 C ATOM 856 CG GLN A 401 2.927 0.933 16.293 1.00 33.24 C ATOM 857 CD GLN A 401 2.706 -0.485 15.762 1.00 23.13 C ATOM 858 OE1 GLN A 401 3.616 -1.294 15.682 1.00 41.14 O ATOM 859 NE2 GLN A 401 1.451 -0.740 15.406 1.00 74.12 N ATOM 0 H GLN A 401 3.166 2.910 18.239 1.00 14.32 H new ATOM 0 HA GLN A 401 3.384 0.207 18.788 1.00 71.41 H new ATOM 0 HB2 GLN A 401 4.773 1.955 16.737 1.00 64.43 H new ATOM 0 HB3 GLN A 401 4.906 0.208 16.751 1.00 64.43 H new ATOM 0 HG2 GLN A 401 2.112 1.205 16.963 1.00 33.24 H new ATOM 0 HG3 GLN A 401 2.909 1.642 15.465 1.00 33.24 H new ATOM 0 HE21 GLN A 401 0.738 -0.017 15.499 1.00 74.12 H new ATOM 0 HE22 GLN A 401 1.201 -1.659 15.040 1.00 74.12 H new ATOM 868 N GLU A 402 5.864 1.897 19.882 1.00 51.52 N ATOM 869 CA GLU A 402 7.114 1.840 20.620 1.00 43.43 C ATOM 870 C GLU A 402 7.233 0.507 21.360 1.00 23.22 C ATOM 871 O GLU A 402 8.132 -0.285 21.080 1.00 73.14 O ATOM 872 CB GLU A 402 7.233 3.018 21.589 1.00 43.21 C ATOM 873 CG GLU A 402 8.116 4.123 21.004 1.00 70.41 C ATOM 874 CD GLU A 402 9.593 3.725 21.046 1.00 33.54 C ATOM 875 OE1 GLU A 402 10.337 4.000 20.093 1.00 33.24 O ATOM 876 OE2 GLU A 402 9.961 3.108 22.118 1.00 14.34 O ATOM 0 H GLU A 402 5.419 2.814 19.868 1.00 51.52 H new ATOM 0 HA GLU A 402 7.937 1.913 19.909 1.00 43.43 H new ATOM 0 HB2 GLU A 402 6.242 3.416 21.806 1.00 43.21 H new ATOM 0 HB3 GLU A 402 7.653 2.675 22.535 1.00 43.21 H new ATOM 0 HG2 GLU A 402 7.819 4.324 19.975 1.00 70.41 H new ATOM 0 HG3 GLU A 402 7.968 5.046 21.564 1.00 70.41 H new ATOM 884 N SER A 403 6.314 0.300 22.291 1.00 20.55 N ATOM 885 CA SER A 403 6.305 -0.925 23.074 1.00 14.54 C ATOM 886 C SER A 403 4.979 -1.662 22.877 1.00 53.13 C ATOM 887 O SER A 403 4.908 -2.877 23.053 1.00 72.21 O ATOM 888 CB SER A 403 6.532 -0.631 24.559 1.00 44.25 C ATOM 889 OG SER A 403 7.918 -0.590 24.888 1.00 22.11 O ATOM 0 H SER A 403 5.570 0.959 22.521 1.00 20.55 H new ATOM 0 HA SER A 403 7.121 -1.559 22.727 1.00 14.54 H new ATOM 0 HB2 SER A 403 6.070 0.323 24.815 1.00 44.25 H new ATOM 0 HB3 SER A 403 6.039 -1.395 25.160 1.00 44.25 H new ATOM 0 HG SER A 403 8.022 -0.398 25.843 1.00 22.11 H new ATOM 895 N ASP A 404 3.961 -0.896 22.513 1.00 13.23 N ATOM 896 CA ASP A 404 2.641 -1.461 22.290 1.00 70.13 C ATOM 897 C ASP A 404 2.578 -2.058 20.882 1.00 3.22 C ATOM 898 O ASP A 404 2.965 -3.207 20.673 1.00 3.54 O ATOM 899 CB ASP A 404 1.556 -0.387 22.397 1.00 65.34 C ATOM 900 CG ASP A 404 1.162 -0.006 23.825 1.00 63.20 C ATOM 901 OD1 ASP A 404 1.326 1.148 24.246 1.00 4.44 O ATOM 902 OD2 ASP A 404 0.660 -0.966 24.526 1.00 4.43 O ATOM 0 H ASP A 404 4.024 0.112 22.367 1.00 13.23 H new ATOM 0 HA ASP A 404 2.469 -2.224 23.049 1.00 70.13 H new ATOM 0 HB2 ASP A 404 1.900 0.509 21.880 1.00 65.34 H new ATOM 0 HB3 ASP A 404 0.667 -0.736 21.872 1.00 65.34 H new ATOM 908 N GLY A 405 2.088 -1.251 19.953 1.00 12.41 N ATOM 909 CA GLY A 405 1.969 -1.684 18.571 1.00 25.44 C ATOM 910 C GLY A 405 0.867 -2.735 18.419 1.00 43.41 C ATOM 911 O GLY A 405 0.944 -3.598 17.546 1.00 11.11 O ATOM 0 H GLY A 405 1.768 -0.299 20.130 1.00 12.41 H new ATOM 0 HA2 GLY A 405 1.749 -0.827 17.935 1.00 25.44 H new ATOM 0 HA3 GLY A 405 2.919 -2.097 18.232 1.00 25.44 H new ATOM 915 N GLN A 406 -0.132 -2.626 19.282 1.00 75.44 N ATOM 916 CA GLN A 406 -1.249 -3.556 19.254 1.00 40.12 C ATOM 917 C GLN A 406 -2.369 -3.013 18.364 1.00 33.41 C ATOM 918 O GLN A 406 -3.441 -2.662 18.854 1.00 33.45 O ATOM 919 CB GLN A 406 -1.761 -3.841 20.667 1.00 4.32 C ATOM 920 CG GLN A 406 -1.095 -5.089 21.250 1.00 3.34 C ATOM 921 CD GLN A 406 -1.435 -5.249 22.733 1.00 23.35 C ATOM 922 OE1 GLN A 406 -2.010 -6.237 23.162 1.00 43.53 O ATOM 923 NE2 GLN A 406 -1.048 -4.227 23.491 1.00 54.51 N ATOM 0 H GLN A 406 -0.192 -1.909 20.005 1.00 75.44 H new ATOM 0 HA GLN A 406 -0.901 -4.499 18.832 1.00 40.12 H new ATOM 0 HB2 GLN A 406 -1.561 -2.984 21.310 1.00 4.32 H new ATOM 0 HB3 GLN A 406 -2.842 -3.978 20.645 1.00 4.32 H new ATOM 0 HG2 GLN A 406 -1.423 -5.971 20.701 1.00 3.34 H new ATOM 0 HG3 GLN A 406 -0.014 -5.020 21.126 1.00 3.34 H new ATOM 0 HE21 GLN A 406 -0.571 -3.430 23.068 1.00 54.51 H new ATOM 0 HE22 GLN A 406 -1.228 -4.240 24.495 1.00 54.51 H new ATOM 932 N GLY A 407 -2.083 -2.962 17.072 1.00 44.14 N ATOM 933 CA GLY A 407 -3.053 -2.468 16.109 1.00 64.10 C ATOM 934 C GLY A 407 -3.332 -0.980 16.327 1.00 53.34 C ATOM 935 O GLY A 407 -2.598 -0.305 17.047 1.00 60.30 O ATOM 0 H GLY A 407 -1.193 -3.255 16.669 1.00 44.14 H new ATOM 0 HA2 GLY A 407 -2.680 -2.627 15.097 1.00 64.10 H new ATOM 0 HA3 GLY A 407 -3.981 -3.033 16.199 1.00 64.10 H new ATOM 939 N CYS A 408 -4.396 -0.511 15.691 1.00 41.03 N ATOM 940 CA CYS A 408 -4.782 0.885 15.806 1.00 43.23 C ATOM 941 C CYS A 408 -4.998 1.204 17.287 1.00 65.54 C ATOM 942 O CYS A 408 -5.724 0.492 17.979 1.00 64.22 O ATOM 943 CB CYS A 408 -6.022 1.200 14.968 1.00 54.14 C ATOM 944 SG CYS A 408 -6.258 2.973 14.582 1.00 15.45 S ATOM 0 H CYS A 408 -5.003 -1.073 15.094 1.00 41.03 H new ATOM 0 HA CYS A 408 -3.987 1.518 15.411 1.00 43.23 H new ATOM 0 HB2 CYS A 408 -5.962 0.644 14.032 1.00 54.14 H new ATOM 0 HB3 CYS A 408 -6.903 0.838 15.498 1.00 54.14 H new ATOM 949 N PRO A 409 -4.337 2.302 17.741 1.00 64.04 N ATOM 950 CA PRO A 409 -4.449 2.723 19.127 1.00 40.24 C ATOM 951 C PRO A 409 -5.803 3.386 19.390 1.00 24.03 C ATOM 952 O PRO A 409 -6.081 3.814 20.510 1.00 61.35 O ATOM 953 CB PRO A 409 -3.275 3.662 19.349 1.00 45.11 C ATOM 954 CG PRO A 409 -2.820 4.096 17.965 1.00 62.22 C ATOM 955 CD PRO A 409 -3.468 3.169 16.950 1.00 71.25 C ATOM 0 HA PRO A 409 -4.410 1.887 19.825 1.00 40.24 H new ATOM 0 HB2 PRO A 409 -3.571 4.522 19.950 1.00 45.11 H new ATOM 0 HB3 PRO A 409 -2.470 3.160 19.885 1.00 45.11 H new ATOM 0 HG2 PRO A 409 -3.107 5.130 17.776 1.00 62.22 H new ATOM 0 HG3 PRO A 409 -1.734 4.048 17.887 1.00 62.22 H new ATOM 0 HD2 PRO A 409 -4.037 3.730 16.208 1.00 71.25 H new ATOM 0 HD3 PRO A 409 -2.720 2.591 16.407 1.00 71.25 H new ATOM 963 N PHE A 410 -6.609 3.450 18.341 1.00 45.13 N ATOM 964 CA PHE A 410 -7.926 4.053 18.445 1.00 54.33 C ATOM 965 C PHE A 410 -9.005 2.985 18.639 1.00 44.23 C ATOM 966 O PHE A 410 -9.923 3.163 19.437 1.00 11.12 O ATOM 967 CB PHE A 410 -8.186 4.790 17.129 1.00 10.23 C ATOM 968 CG PHE A 410 -7.626 6.214 17.093 1.00 74.24 C ATOM 969 CD1 PHE A 410 -6.390 6.472 17.597 1.00 61.53 C ATOM 970 CD2 PHE A 410 -8.365 7.221 16.556 1.00 55.34 C ATOM 971 CE1 PHE A 410 -5.870 7.793 17.563 1.00 74.34 C ATOM 972 CE2 PHE A 410 -7.846 8.542 16.521 1.00 10.45 C ATOM 973 CZ PHE A 410 -6.610 8.800 17.026 1.00 45.34 C ATOM 0 H PHE A 410 -6.375 3.094 17.414 1.00 45.13 H new ATOM 0 HA PHE A 410 -7.960 4.726 19.302 1.00 54.33 H new ATOM 0 HB2 PHE A 410 -7.749 4.218 16.311 1.00 10.23 H new ATOM 0 HB3 PHE A 410 -9.261 4.828 16.952 1.00 10.23 H new ATOM 0 HD1 PHE A 410 -5.803 5.672 18.023 1.00 61.53 H new ATOM 0 HD2 PHE A 410 -9.347 7.016 16.156 1.00 55.34 H new ATOM 0 HE1 PHE A 410 -4.888 7.998 17.963 1.00 74.34 H new ATOM 0 HE2 PHE A 410 -8.433 9.342 16.093 1.00 10.45 H new ATOM 0 HZ PHE A 410 -6.216 9.805 17.001 1.00 45.34 H new ATOM 983 N CYS A 411 -8.857 1.899 17.895 1.00 61.04 N ATOM 984 CA CYS A 411 -9.807 0.802 17.975 1.00 44.24 C ATOM 985 C CYS A 411 -9.104 -0.396 18.617 1.00 52.41 C ATOM 986 O CYS A 411 -9.650 -1.498 18.645 1.00 3.33 O ATOM 987 CB CYS A 411 -10.387 0.455 16.602 1.00 22.01 C ATOM 988 SG CYS A 411 -9.464 1.147 15.181 1.00 1.25 S ATOM 0 H CYS A 411 -8.094 1.755 17.234 1.00 61.04 H new ATOM 0 HA CYS A 411 -10.656 1.097 18.591 1.00 44.24 H new ATOM 0 HB2 CYS A 411 -10.421 -0.630 16.501 1.00 22.01 H new ATOM 0 HB3 CYS A 411 -11.416 0.812 16.557 1.00 22.01 H new ATOM 993 N ARG A 412 -7.904 -0.139 19.117 1.00 72.23 N ATOM 994 CA ARG A 412 -7.121 -1.183 19.757 1.00 55.32 C ATOM 995 C ARG A 412 -7.287 -2.506 19.007 1.00 42.12 C ATOM 996 O ARG A 412 -7.209 -3.577 19.606 1.00 33.23 O ATOM 997 CB ARG A 412 -7.546 -1.374 21.214 1.00 0.12 C ATOM 998 CG ARG A 412 -6.446 -2.070 22.019 1.00 51.42 C ATOM 999 CD ARG A 412 -5.281 -1.117 22.292 1.00 4.22 C ATOM 1000 NE ARG A 412 -5.573 -0.289 23.484 1.00 44.35 N ATOM 1001 CZ ARG A 412 -5.322 -0.674 24.753 1.00 52.01 C ATOM 1002 NH1 ARG A 412 -4.772 -1.880 25.007 1.00 61.31 N ATOM 1003 NH2 ARG A 412 -5.624 0.146 25.742 1.00 4.50 N ATOM 0 H ARG A 412 -7.455 0.776 19.092 1.00 72.23 H new ATOM 0 HA ARG A 412 -6.075 -0.876 19.732 1.00 55.32 H new ATOM 0 HB2 ARG A 412 -7.771 -0.406 21.661 1.00 0.12 H new ATOM 0 HB3 ARG A 412 -8.461 -1.965 21.255 1.00 0.12 H new ATOM 0 HG2 ARG A 412 -6.854 -2.431 22.963 1.00 51.42 H new ATOM 0 HG3 ARG A 412 -6.087 -2.942 21.473 1.00 51.42 H new ATOM 0 HD2 ARG A 412 -4.365 -1.686 22.450 1.00 4.22 H new ATOM 0 HD3 ARG A 412 -5.114 -0.476 21.426 1.00 4.22 H new ATOM 0 HE ARG A 412 -5.990 0.630 23.337 1.00 44.35 H new ATOM 0 HH11 ARG A 412 -4.543 -2.508 24.237 1.00 61.31 H new ATOM 0 HH12 ARG A 412 -4.586 -2.163 25.969 1.00 61.31 H new ATOM 0 HH21 ARG A 412 -6.041 1.055 25.541 1.00 4.50 H new ATOM 0 HH22 ARG A 412 -5.441 -0.129 26.707 1.00 4.50 H new ATOM 1016 N CYS A 413 -7.512 -2.388 17.706 1.00 24.34 N ATOM 1017 CA CYS A 413 -7.689 -3.562 16.868 1.00 24.03 C ATOM 1018 C CYS A 413 -6.648 -3.513 15.748 1.00 60.52 C ATOM 1019 O CYS A 413 -6.040 -2.472 15.505 1.00 32.01 O ATOM 1020 CB CYS A 413 -9.114 -3.656 16.320 1.00 41.21 C ATOM 1021 SG CYS A 413 -10.126 -4.740 17.391 1.00 74.30 S ATOM 0 H CYS A 413 -7.576 -1.498 17.212 1.00 24.34 H new ATOM 0 HA CYS A 413 -7.539 -4.463 17.463 1.00 24.03 H new ATOM 0 HB2 CYS A 413 -9.559 -2.662 16.270 1.00 41.21 H new ATOM 0 HB3 CYS A 413 -9.096 -4.049 15.304 1.00 41.21 H new ATOM 0 HG CYS A 413 -11.335 -4.811 16.918 1.00 74.30 H new ATOM 1027 N GLU A 414 -6.475 -4.653 15.095 1.00 63.22 N ATOM 1028 CA GLU A 414 -5.518 -4.754 14.006 1.00 50.32 C ATOM 1029 C GLU A 414 -5.922 -3.827 12.857 1.00 31.41 C ATOM 1030 O GLU A 414 -7.109 -3.638 12.596 1.00 70.34 O ATOM 1031 CB GLU A 414 -5.386 -6.200 13.524 1.00 52.35 C ATOM 1032 CG GLU A 414 -4.406 -6.300 12.353 1.00 24.24 C ATOM 1033 CD GLU A 414 -2.970 -6.047 12.818 1.00 61.11 C ATOM 1034 OE1 GLU A 414 -2.449 -6.796 13.657 1.00 24.42 O ATOM 1035 OE2 GLU A 414 -2.392 -5.030 12.274 1.00 71.12 O ATOM 0 H GLU A 414 -6.981 -5.515 15.299 1.00 63.22 H new ATOM 0 HA GLU A 414 -4.542 -4.439 14.375 1.00 50.32 H new ATOM 0 HB2 GLU A 414 -5.044 -6.831 14.344 1.00 52.35 H new ATOM 0 HB3 GLU A 414 -6.363 -6.576 13.219 1.00 52.35 H new ATOM 0 HG2 GLU A 414 -4.476 -7.288 11.898 1.00 24.24 H new ATOM 0 HG3 GLU A 414 -4.676 -5.576 11.585 1.00 24.24 H new ATOM 1043 N ILE A 415 -4.912 -3.274 12.202 1.00 60.41 N ATOM 1044 CA ILE A 415 -5.147 -2.372 11.087 1.00 32.42 C ATOM 1045 C ILE A 415 -5.084 -3.160 9.777 1.00 31.22 C ATOM 1046 O ILE A 415 -4.327 -4.123 9.663 1.00 1.24 O ATOM 1047 CB ILE A 415 -4.178 -1.190 11.141 1.00 3.01 C ATOM 1048 CG1 ILE A 415 -3.819 -0.840 12.587 1.00 61.52 C ATOM 1049 CG2 ILE A 415 -4.739 0.014 10.383 1.00 52.44 C ATOM 1050 CD1 ILE A 415 -2.939 0.410 12.646 1.00 23.45 C ATOM 0 H ILE A 415 -3.929 -3.433 12.422 1.00 60.41 H new ATOM 0 HA ILE A 415 -6.145 -1.939 11.151 1.00 32.42 H new ATOM 0 HB ILE A 415 -3.254 -1.483 10.642 1.00 3.01 H new ATOM 0 HG12 ILE A 415 -4.730 -0.675 13.162 1.00 61.52 H new ATOM 0 HG13 ILE A 415 -3.298 -1.678 13.049 1.00 61.52 H new ATOM 0 HG21 ILE A 415 -4.030 0.840 10.437 1.00 52.44 H new ATOM 0 HG22 ILE A 415 -4.902 -0.257 9.340 1.00 52.44 H new ATOM 0 HG23 ILE A 415 -5.685 0.317 10.831 1.00 52.44 H new ATOM 0 HD11 ILE A 415 -2.698 0.637 13.685 1.00 23.45 H new ATOM 0 HD12 ILE A 415 -2.018 0.233 12.090 1.00 23.45 H new ATOM 0 HD13 ILE A 415 -3.473 1.252 12.205 1.00 23.45 H new ATOM 1062 N LYS A 416 -5.890 -2.722 8.821 1.00 22.00 N ATOM 1063 CA LYS A 416 -5.935 -3.374 7.523 1.00 31.23 C ATOM 1064 C LYS A 416 -5.481 -2.388 6.446 1.00 42.15 C ATOM 1065 O LYS A 416 -4.708 -2.745 5.558 1.00 25.22 O ATOM 1066 CB LYS A 416 -7.323 -3.966 7.269 1.00 22.45 C ATOM 1067 CG LYS A 416 -7.933 -4.507 8.564 1.00 34.11 C ATOM 1068 CD LYS A 416 -9.241 -5.250 8.285 1.00 75.12 C ATOM 1069 CE LYS A 416 -9.554 -6.249 9.401 1.00 1.41 C ATOM 1070 NZ LYS A 416 -8.892 -7.546 9.137 1.00 43.43 N ATOM 0 H LYS A 416 -6.517 -1.924 8.919 1.00 22.00 H new ATOM 0 HA LYS A 416 -5.244 -4.217 7.496 1.00 31.23 H new ATOM 0 HB2 LYS A 416 -7.976 -3.203 6.846 1.00 22.45 H new ATOM 0 HB3 LYS A 416 -7.252 -4.767 6.534 1.00 22.45 H new ATOM 0 HG2 LYS A 416 -7.226 -5.179 9.051 1.00 34.11 H new ATOM 0 HG3 LYS A 416 -8.118 -3.684 9.255 1.00 34.11 H new ATOM 0 HD2 LYS A 416 -10.058 -4.534 8.194 1.00 75.12 H new ATOM 0 HD3 LYS A 416 -9.169 -5.775 7.332 1.00 75.12 H new ATOM 0 HE2 LYS A 416 -9.218 -5.851 10.358 1.00 1.41 H new ATOM 0 HE3 LYS A 416 -10.632 -6.393 9.476 1.00 1.41 H new ATOM 0 HZ1 LYS A 416 -9.115 -8.212 9.904 1.00 43.43 H new ATOM 0 HZ2 LYS A 416 -9.233 -7.932 8.233 1.00 43.43 H new ATOM 0 HZ3 LYS A 416 -7.863 -7.407 9.088 1.00 43.43 H new ATOM 1083 N GLY A 417 -5.981 -1.166 6.558 1.00 23.12 N ATOM 1084 CA GLY A 417 -5.636 -0.126 5.604 1.00 1.43 C ATOM 1085 C GLY A 417 -4.943 1.048 6.300 1.00 51.12 C ATOM 1086 O GLY A 417 -5.436 1.558 7.305 1.00 75.33 O ATOM 0 H GLY A 417 -6.622 -0.873 7.295 1.00 23.12 H new ATOM 0 HA2 GLY A 417 -4.981 -0.536 4.835 1.00 1.43 H new ATOM 0 HA3 GLY A 417 -6.537 0.225 5.101 1.00 1.43 H new ATOM 1090 N THR A 418 -3.810 1.443 5.737 1.00 35.11 N ATOM 1091 CA THR A 418 -3.045 2.547 6.291 1.00 40.04 C ATOM 1092 C THR A 418 -2.232 3.235 5.193 1.00 41.44 C ATOM 1093 O THR A 418 -1.658 2.571 4.331 1.00 2.01 O ATOM 1094 CB THR A 418 -2.185 2.001 7.432 1.00 62.22 C ATOM 1095 OG1 THR A 418 -1.338 1.044 6.801 1.00 42.11 O ATOM 1096 CG2 THR A 418 -2.996 1.177 8.434 1.00 61.21 C ATOM 0 H THR A 418 -3.404 1.018 4.903 1.00 35.11 H new ATOM 0 HA THR A 418 -3.700 3.317 6.699 1.00 40.04 H new ATOM 0 HB THR A 418 -1.701 2.829 7.950 1.00 62.22 H new ATOM 0 HG1 THR A 418 -0.745 0.641 7.469 1.00 42.11 H new ATOM 0 HG21 THR A 418 -2.338 0.813 9.223 1.00 61.21 H new ATOM 0 HG22 THR A 418 -3.776 1.800 8.871 1.00 61.21 H new ATOM 0 HG23 THR A 418 -3.453 0.329 7.923 1.00 61.21 H new ATOM 1104 N GLU A 419 -2.209 4.558 5.259 1.00 3.51 N ATOM 1105 CA GLU A 419 -1.475 5.344 4.281 1.00 14.33 C ATOM 1106 C GLU A 419 -1.444 6.816 4.699 1.00 74.05 C ATOM 1107 O GLU A 419 -2.358 7.294 5.368 1.00 13.44 O ATOM 1108 CB GLU A 419 -2.079 5.183 2.885 1.00 43.04 C ATOM 1109 CG GLU A 419 -3.529 5.668 2.854 1.00 14.35 C ATOM 1110 CD GLU A 419 -4.490 4.549 3.262 1.00 53.51 C ATOM 1111 OE1 GLU A 419 -4.850 4.441 4.444 1.00 51.04 O ATOM 1112 OE2 GLU A 419 -4.866 3.776 2.300 1.00 2.11 O ATOM 0 H GLU A 419 -2.687 5.106 5.975 1.00 3.51 H new ATOM 0 HA GLU A 419 -0.450 4.976 4.242 1.00 14.33 H new ATOM 0 HB2 GLU A 419 -1.488 5.746 2.162 1.00 43.04 H new ATOM 0 HB3 GLU A 419 -2.036 4.136 2.585 1.00 43.04 H new ATOM 0 HG2 GLU A 419 -3.647 6.517 3.527 1.00 14.35 H new ATOM 0 HG3 GLU A 419 -3.778 6.019 1.852 1.00 14.35 H new ATOM 1120 N PRO A 420 -0.355 7.511 4.274 1.00 30.12 N ATOM 1121 CA PRO A 420 -0.193 8.918 4.597 1.00 41.34 C ATOM 1122 C PRO A 420 -1.121 9.786 3.745 1.00 15.51 C ATOM 1123 O PRO A 420 -0.836 10.047 2.577 1.00 21.24 O ATOM 1124 CB PRO A 420 1.279 9.210 4.356 1.00 63.00 C ATOM 1125 CG PRO A 420 1.787 8.085 3.469 1.00 45.11 C ATOM 1126 CD PRO A 420 0.747 6.977 3.479 1.00 0.11 C ATOM 0 HA PRO A 420 -0.468 9.148 5.627 1.00 41.34 H new ATOM 0 HB2 PRO A 420 1.411 10.178 3.873 1.00 63.00 H new ATOM 0 HB3 PRO A 420 1.829 9.245 5.296 1.00 63.00 H new ATOM 0 HG2 PRO A 420 1.952 8.445 2.453 1.00 45.11 H new ATOM 0 HG3 PRO A 420 2.744 7.713 3.835 1.00 45.11 H new ATOM 0 HD2 PRO A 420 0.423 6.729 2.468 1.00 0.11 H new ATOM 0 HD3 PRO A 420 1.146 6.063 3.919 1.00 0.11 H new ATOM 1134 N ILE A 421 -2.214 10.211 4.363 1.00 20.30 N ATOM 1135 CA ILE A 421 -3.186 11.044 3.676 1.00 12.35 C ATOM 1136 C ILE A 421 -3.038 12.491 4.152 1.00 25.11 C ATOM 1137 O ILE A 421 -2.486 12.743 5.222 1.00 31.44 O ATOM 1138 CB ILE A 421 -4.597 10.480 3.855 1.00 10.02 C ATOM 1139 CG1 ILE A 421 -5.237 11.001 5.144 1.00 43.12 C ATOM 1140 CG2 ILE A 421 -4.587 8.951 3.798 1.00 54.13 C ATOM 1141 CD1 ILE A 421 -6.030 12.283 4.883 1.00 73.15 C ATOM 0 H ILE A 421 -2.447 9.994 5.332 1.00 20.30 H new ATOM 0 HA ILE A 421 -3.000 11.040 2.602 1.00 12.35 H new ATOM 0 HB ILE A 421 -5.212 10.830 3.026 1.00 10.02 H new ATOM 0 HG12 ILE A 421 -5.897 10.240 5.560 1.00 43.12 H new ATOM 0 HG13 ILE A 421 -4.463 11.193 5.887 1.00 43.12 H new ATOM 0 HG21 ILE A 421 -5.602 8.575 3.928 1.00 54.13 H new ATOM 0 HG22 ILE A 421 -4.200 8.625 2.832 1.00 54.13 H new ATOM 0 HG23 ILE A 421 -3.951 8.561 4.593 1.00 54.13 H new ATOM 0 HD11 ILE A 421 -6.474 12.632 5.815 1.00 73.15 H new ATOM 0 HD12 ILE A 421 -5.363 13.050 4.490 1.00 73.15 H new ATOM 0 HD13 ILE A 421 -6.819 12.082 4.158 1.00 73.15 H new ATOM 1153 N ILE A 422 -3.539 13.404 3.333 1.00 32.24 N ATOM 1154 CA ILE A 422 -3.469 14.819 3.657 1.00 31.41 C ATOM 1155 C ILE A 422 -4.878 15.341 3.947 1.00 44.44 C ATOM 1156 O ILE A 422 -5.675 15.529 3.029 1.00 43.41 O ATOM 1157 CB ILE A 422 -2.744 15.586 2.550 1.00 3.21 C ATOM 1158 CG1 ILE A 422 -1.302 15.098 2.399 1.00 45.11 C ATOM 1159 CG2 ILE A 422 -2.816 17.095 2.792 1.00 42.35 C ATOM 1160 CD1 ILE A 422 -0.466 16.097 1.595 1.00 31.41 C ATOM 0 H ILE A 422 -3.995 13.192 2.446 1.00 32.24 H new ATOM 0 HA ILE A 422 -2.879 14.975 4.560 1.00 31.41 H new ATOM 0 HB ILE A 422 -3.252 15.386 1.606 1.00 3.21 H new ATOM 0 HG12 ILE A 422 -0.857 14.956 3.384 1.00 45.11 H new ATOM 0 HG13 ILE A 422 -1.293 14.128 1.902 1.00 45.11 H new ATOM 0 HG21 ILE A 422 -2.293 17.617 1.991 1.00 42.35 H new ATOM 0 HG22 ILE A 422 -3.859 17.411 2.811 1.00 42.35 H new ATOM 0 HG23 ILE A 422 -2.347 17.333 3.747 1.00 42.35 H new ATOM 0 HD11 ILE A 422 0.555 15.726 1.502 1.00 31.41 H new ATOM 0 HD12 ILE A 422 -0.899 16.218 0.602 1.00 31.41 H new ATOM 0 HD13 ILE A 422 -0.457 17.059 2.107 1.00 31.41 H new ATOM 1172 N VAL A 423 -5.141 15.562 5.226 1.00 30.53 N ATOM 1173 CA VAL A 423 -6.439 16.059 5.648 1.00 34.03 C ATOM 1174 C VAL A 423 -6.528 17.557 5.352 1.00 43.35 C ATOM 1175 O VAL A 423 -5.526 18.268 5.423 1.00 73.00 O ATOM 1176 CB VAL A 423 -6.673 15.727 7.124 1.00 62.05 C ATOM 1177 CG1 VAL A 423 -8.083 16.128 7.559 1.00 14.43 C ATOM 1178 CG2 VAL A 423 -6.415 14.244 7.399 1.00 3.32 C ATOM 0 H VAL A 423 -4.477 15.406 5.984 1.00 30.53 H new ATOM 0 HA VAL A 423 -7.235 15.569 5.088 1.00 34.03 H new ATOM 0 HB VAL A 423 -5.963 16.306 7.715 1.00 62.05 H new ATOM 0 HG11 VAL A 423 -8.223 15.881 8.611 1.00 14.43 H new ATOM 0 HG12 VAL A 423 -8.216 17.200 7.417 1.00 14.43 H new ATOM 0 HG13 VAL A 423 -8.816 15.589 6.959 1.00 14.43 H new ATOM 0 HG21 VAL A 423 -6.588 14.034 8.455 1.00 3.32 H new ATOM 0 HG22 VAL A 423 -7.090 13.639 6.793 1.00 3.32 H new ATOM 0 HG23 VAL A 423 -5.383 14.001 7.145 1.00 3.32 H new ATOM 1188 N ASP A 424 -7.735 17.993 5.025 1.00 55.22 N ATOM 1189 CA ASP A 424 -7.968 19.394 4.717 1.00 44.11 C ATOM 1190 C ASP A 424 -9.156 19.902 5.536 1.00 20.31 C ATOM 1191 O ASP A 424 -10.117 19.168 5.763 1.00 3.11 O ATOM 1192 CB ASP A 424 -8.299 19.585 3.235 1.00 24.15 C ATOM 1193 CG ASP A 424 -7.149 19.284 2.272 1.00 60.41 C ATOM 1194 OD1 ASP A 424 -6.173 18.609 2.633 1.00 0.42 O ATOM 1195 OD2 ASP A 424 -7.285 19.779 1.089 1.00 50.52 O ATOM 0 H ASP A 424 -8.563 17.400 4.966 1.00 55.22 H new ATOM 0 HA ASP A 424 -7.060 19.947 4.958 1.00 44.11 H new ATOM 0 HB2 ASP A 424 -9.143 18.944 2.981 1.00 24.15 H new ATOM 0 HB3 ASP A 424 -8.623 20.614 3.080 1.00 24.15 H new ATOM 1201 N PRO A 425 -9.049 21.187 5.969 1.00 60.35 N ATOM 1202 CA PRO A 425 -10.103 21.801 6.758 1.00 51.05 C ATOM 1203 C PRO A 425 -11.306 22.159 5.882 1.00 44.31 C ATOM 1204 O PRO A 425 -11.252 22.022 4.661 1.00 45.43 O ATOM 1205 CB PRO A 425 -9.455 23.015 7.402 1.00 0.34 C ATOM 1206 CG PRO A 425 -8.202 23.300 6.590 1.00 72.10 C ATOM 1207 CD PRO A 425 -7.926 22.085 5.719 1.00 42.53 C ATOM 0 HA PRO A 425 -10.505 21.131 7.518 1.00 51.05 H new ATOM 0 HB2 PRO A 425 -10.131 23.870 7.390 1.00 0.34 H new ATOM 0 HB3 PRO A 425 -9.208 22.818 8.445 1.00 0.34 H new ATOM 0 HG2 PRO A 425 -8.340 24.188 5.974 1.00 72.10 H new ATOM 0 HG3 PRO A 425 -7.357 23.498 7.249 1.00 72.10 H new ATOM 0 HD2 PRO A 425 -7.865 22.359 4.666 1.00 42.53 H new ATOM 0 HD3 PRO A 425 -6.978 21.616 5.982 1.00 42.53 H new ATOM 1215 N PHE A 426 -12.363 22.611 6.540 1.00 3.43 N ATOM 1216 CA PHE A 426 -13.576 22.991 5.837 1.00 34.42 C ATOM 1217 C PHE A 426 -13.296 24.093 4.814 1.00 2.44 C ATOM 1218 O PHE A 426 -12.163 24.555 4.690 1.00 43.45 O ATOM 1219 CB PHE A 426 -14.554 23.522 6.887 1.00 11.02 C ATOM 1220 CG PHE A 426 -15.627 24.455 6.322 1.00 34.23 C ATOM 1221 CD1 PHE A 426 -16.461 24.017 5.341 1.00 33.33 C ATOM 1222 CD2 PHE A 426 -15.748 25.722 6.801 1.00 25.03 C ATOM 1223 CE1 PHE A 426 -17.457 24.882 4.817 1.00 13.41 C ATOM 1224 CE2 PHE A 426 -16.744 26.588 6.277 1.00 24.30 C ATOM 1225 CZ PHE A 426 -17.577 26.150 5.296 1.00 74.40 C ATOM 0 H PHE A 426 -12.404 22.723 7.553 1.00 3.43 H new ATOM 0 HA PHE A 426 -13.980 22.131 5.302 1.00 34.42 H new ATOM 0 HB2 PHE A 426 -15.041 22.678 7.375 1.00 11.02 H new ATOM 0 HB3 PHE A 426 -13.993 24.054 7.656 1.00 11.02 H new ATOM 0 HD1 PHE A 426 -16.365 23.011 4.961 1.00 33.33 H new ATOM 0 HD2 PHE A 426 -15.086 26.070 7.580 1.00 25.03 H new ATOM 0 HE1 PHE A 426 -18.119 24.534 4.038 1.00 13.41 H new ATOM 0 HE2 PHE A 426 -16.840 27.594 6.658 1.00 24.30 H new ATOM 0 HZ PHE A 426 -18.334 26.809 4.897 1.00 74.40 H new TER 1235 PHE A 426 HETATM 1236 ZN ZN A1373 -0.598 12.787 18.465 1.00 20.33 ZN HETATM 1237 ZN ZN A1388 -8.362 2.552 13.650 1.00 62.33 ZN