USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=20 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= -0.246 X(o=-0.25,f=-0.0031) USER MOD Single : A 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 350 SER OG : rot -77:sc= 0.766 USER MOD Single : A 352 HIS : no HD1:sc= -2.25 K(o=-2.3,f=-4.3!) USER MOD Single : A 354 LYS NZ :NH3+ -157:sc= -0.329 (180deg=-1.9!) USER MOD Single : A 356 THR OG1 : rot -159:sc= -0.285 USER MOD Single : A 357 GLN : amide:sc= -1.8! C(o=-1.8!,f=-1.7!) USER MOD Single : A 359 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 71:sc= 0.652 USER MOD Single : A 366 MET CE :methyl -162:sc= -0.172 (180deg=-0.598) USER MOD Single : A 368 SER OG : rot 46:sc= 0.336 USER MOD Single : A 369 THR OG1 : rot 179:sc= -1.57 USER MOD Single : A 371 GLN :FLIP amide:sc= -2.54! C(o=-5.1!,f=-2.5!) USER MOD Single : A 374 LYS NZ :NH3+ -149:sc= -2.63 (180deg=-4.67!) USER MOD Single : A 379 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.4) USER MOD Single : A 381 LYS NZ :NH3+ 146:sc= -0.63 (180deg=-1.74) USER MOD Single : A 384 LYS NZ :NH3+ -160:sc= -2.97 (180deg=-4.24!) USER MOD Single : A 392 MET CE :methyl -178:sc= -7.13! (180deg=-7.22!) USER MOD Single : A 394 THR OG1 : rot 180:sc= -0.286 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= -2.79! C(o=-2.8!,f=-6.2!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.8!) USER MOD Single : A 413 CYS SG : rot 180:sc= -0.531 USER MOD Single : A 416 LYS NZ :NH3+ -143:sc= -0.0618 (180deg=-0.685) USER MOD Single : A 418 THR OG1 : rot 23:sc= 0.287 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 12.907 5.904 -6.352 1.00 43.22 N ATOM 2 CA GLY A 345 12.184 7.091 -6.777 1.00 63.34 C ATOM 3 C GLY A 345 10.677 6.829 -6.819 1.00 4.13 C ATOM 4 O GLY A 345 10.069 6.854 -7.887 1.00 75.51 O ATOM 0 HA2 GLY A 345 12.395 7.914 -6.094 1.00 63.34 H new ATOM 0 HA3 GLY A 345 12.531 7.399 -7.763 1.00 63.34 H new ATOM 8 N PRO A 346 10.104 6.578 -5.611 1.00 42.41 N ATOM 9 CA PRO A 346 8.680 6.313 -5.499 1.00 62.43 C ATOM 10 C PRO A 346 7.868 7.600 -5.656 1.00 61.23 C ATOM 11 O PRO A 346 8.435 8.680 -5.818 1.00 74.51 O ATOM 12 CB PRO A 346 8.507 5.663 -4.136 1.00 10.51 C ATOM 13 CG PRO A 346 9.759 6.011 -3.347 1.00 12.03 C ATOM 14 CD PRO A 346 10.794 6.541 -4.325 1.00 1.41 C ATOM 0 HA PRO A 346 8.311 5.657 -6.288 1.00 62.43 H new ATOM 0 HB2 PRO A 346 7.614 6.036 -3.636 1.00 10.51 H new ATOM 0 HB3 PRO A 346 8.392 4.583 -4.230 1.00 10.51 H new ATOM 0 HG2 PRO A 346 9.535 6.758 -2.586 1.00 12.03 H new ATOM 0 HG3 PRO A 346 10.140 5.132 -2.828 1.00 12.03 H new ATOM 0 HD2 PRO A 346 11.143 7.532 -4.034 1.00 1.41 H new ATOM 0 HD3 PRO A 346 11.670 5.894 -4.364 1.00 1.41 H new ATOM 22 N HIS A 347 6.554 7.443 -5.603 1.00 34.51 N ATOM 23 CA HIS A 347 5.658 8.579 -5.737 1.00 31.20 C ATOM 24 C HIS A 347 4.765 8.677 -4.498 1.00 40.35 C ATOM 25 O HIS A 347 4.703 7.746 -3.697 1.00 64.14 O ATOM 26 CB HIS A 347 4.859 8.490 -7.039 1.00 33.24 C ATOM 27 CG HIS A 347 3.595 7.670 -6.928 1.00 50.45 C ATOM 28 ND1 HIS A 347 2.392 8.070 -7.484 1.00 32.42 N ATOM 29 CD2 HIS A 347 3.360 6.471 -6.323 1.00 25.11 C ATOM 30 CE1 HIS A 347 1.481 7.145 -7.217 1.00 40.15 C ATOM 31 NE2 HIS A 347 2.083 6.155 -6.498 1.00 1.35 N ATOM 0 H HIS A 347 6.088 6.546 -5.469 1.00 34.51 H new ATOM 0 HA HIS A 347 6.238 9.500 -5.797 1.00 31.20 H new ATOM 0 HB2 HIS A 347 4.599 9.498 -7.364 1.00 33.24 H new ATOM 0 HB3 HIS A 347 5.493 8.059 -7.814 1.00 33.24 H new ATOM 0 HD2 HIS A 347 4.090 5.879 -5.791 1.00 25.11 H new ATOM 0 HE1 HIS A 347 0.444 7.171 -7.516 1.00 40.15 H new ATOM 0 HE2 HIS A 347 1.627 5.311 -6.152 1.00 1.35 H new ATOM 39 N MET A 348 4.095 9.814 -4.380 1.00 43.33 N ATOM 40 CA MET A 348 3.209 10.047 -3.253 1.00 35.10 C ATOM 41 C MET A 348 1.772 10.283 -3.725 1.00 22.33 C ATOM 42 O MET A 348 1.516 11.188 -4.518 1.00 21.45 O ATOM 43 CB MET A 348 3.694 11.265 -2.465 1.00 14.15 C ATOM 44 CG MET A 348 5.182 11.145 -2.130 1.00 72.41 C ATOM 45 SD MET A 348 6.165 11.695 -3.514 1.00 61.14 S ATOM 46 CE MET A 348 7.194 12.906 -2.702 1.00 24.34 C ATOM 0 H MET A 348 4.148 10.584 -5.047 1.00 43.33 H new ATOM 0 HA MET A 348 3.222 9.163 -2.616 1.00 35.10 H new ATOM 0 HB2 MET A 348 3.520 12.171 -3.046 1.00 14.15 H new ATOM 0 HB3 MET A 348 3.117 11.361 -1.545 1.00 14.15 H new ATOM 0 HG2 MET A 348 5.414 11.742 -1.248 1.00 72.41 H new ATOM 0 HG3 MET A 348 5.426 10.111 -1.888 1.00 72.41 H new ATOM 0 HE1 MET A 348 7.874 13.351 -3.428 1.00 24.34 H new ATOM 0 HE2 MET A 348 6.566 13.684 -2.268 1.00 24.34 H new ATOM 0 HE3 MET A 348 7.771 12.423 -1.913 1.00 24.34 H new ATOM 56 N GLY A 349 0.873 9.453 -3.217 1.00 72.21 N ATOM 57 CA GLY A 349 -0.531 9.560 -3.577 1.00 30.45 C ATOM 58 C GLY A 349 -1.396 9.810 -2.340 1.00 33.24 C ATOM 59 O GLY A 349 -2.415 9.148 -2.146 1.00 25.33 O ATOM 0 H GLY A 349 1.089 8.704 -2.559 1.00 72.21 H new ATOM 0 HA2 GLY A 349 -0.666 10.373 -4.290 1.00 30.45 H new ATOM 0 HA3 GLY A 349 -0.854 8.644 -4.072 1.00 30.45 H new ATOM 63 N SER A 350 -0.959 10.767 -1.535 1.00 12.30 N ATOM 64 CA SER A 350 -1.681 11.113 -0.322 1.00 40.22 C ATOM 65 C SER A 350 -3.107 11.547 -0.668 1.00 20.03 C ATOM 66 O SER A 350 -3.314 12.331 -1.592 1.00 53.51 O ATOM 67 CB SER A 350 -0.962 12.221 0.450 1.00 64.02 C ATOM 68 OG SER A 350 0.326 11.808 0.901 1.00 53.14 O ATOM 0 H SER A 350 -0.114 11.314 -1.699 1.00 12.30 H new ATOM 0 HA SER A 350 -1.721 10.230 0.316 1.00 40.22 H new ATOM 0 HB2 SER A 350 -0.859 13.099 -0.188 1.00 64.02 H new ATOM 0 HB3 SER A 350 -1.568 12.518 1.306 1.00 64.02 H new ATOM 0 HG SER A 350 0.228 11.230 1.686 1.00 53.14 H new ATOM 74 N ASP A 351 -4.053 11.017 0.094 1.00 52.35 N ATOM 75 CA ASP A 351 -5.454 11.340 -0.120 1.00 62.24 C ATOM 76 C ASP A 351 -5.747 12.727 0.454 1.00 3.24 C ATOM 77 O ASP A 351 -4.847 13.396 0.960 1.00 1.11 O ATOM 78 CB ASP A 351 -6.365 10.334 0.586 1.00 63.45 C ATOM 79 CG ASP A 351 -6.614 9.035 -0.185 1.00 2.42 C ATOM 80 OD1 ASP A 351 -5.770 8.127 -0.195 1.00 31.33 O ATOM 81 OD2 ASP A 351 -7.745 8.976 -0.802 1.00 41.32 O ATOM 0 H ASP A 351 -3.877 10.367 0.860 1.00 52.35 H new ATOM 0 HA ASP A 351 -5.647 11.310 -1.192 1.00 62.24 H new ATOM 0 HB2 ASP A 351 -5.927 10.087 1.553 1.00 63.45 H new ATOM 0 HB3 ASP A 351 -7.325 10.812 0.783 1.00 63.45 H new ATOM 87 N HIS A 352 -7.009 13.118 0.357 1.00 2.34 N ATOM 88 CA HIS A 352 -7.432 14.414 0.861 1.00 23.14 C ATOM 89 C HIS A 352 -8.766 14.268 1.596 1.00 2.31 C ATOM 90 O HIS A 352 -9.731 13.747 1.040 1.00 54.40 O ATOM 91 CB HIS A 352 -7.486 15.445 -0.268 1.00 32.31 C ATOM 92 CG HIS A 352 -6.134 15.978 -0.678 1.00 73.04 C ATOM 93 ND1 HIS A 352 -5.218 16.477 0.231 1.00 64.33 N ATOM 94 CD2 HIS A 352 -5.554 16.084 -1.908 1.00 41.21 C ATOM 95 CE1 HIS A 352 -4.138 16.864 -0.433 1.00 73.32 C ATOM 96 NE2 HIS A 352 -4.349 16.620 -1.759 1.00 1.14 N ATOM 0 H HIS A 352 -7.753 12.560 -0.063 1.00 2.34 H new ATOM 0 HA HIS A 352 -6.701 14.786 1.578 1.00 23.14 H new ATOM 0 HB2 HIS A 352 -7.966 14.993 -1.136 1.00 32.31 H new ATOM 0 HB3 HIS A 352 -8.114 16.279 0.045 1.00 32.31 H new ATOM 0 HD2 HIS A 352 -6.000 15.783 -2.844 1.00 41.21 H new ATOM 0 HE1 HIS A 352 -3.248 17.296 -0.001 1.00 73.32 H new ATOM 0 HE2 HIS A 352 -3.689 16.817 -2.512 1.00 1.14 H new ATOM 104 N ILE A 353 -8.777 14.738 2.835 1.00 63.20 N ATOM 105 CA ILE A 353 -9.976 14.666 3.652 1.00 52.51 C ATOM 106 C ILE A 353 -10.428 16.083 4.011 1.00 14.30 C ATOM 107 O ILE A 353 -9.754 16.781 4.766 1.00 3.43 O ATOM 108 CB ILE A 353 -9.743 13.768 4.868 1.00 14.34 C ATOM 109 CG1 ILE A 353 -9.838 12.290 4.485 1.00 55.22 C ATOM 110 CG2 ILE A 353 -10.701 14.128 6.007 1.00 64.24 C ATOM 111 CD1 ILE A 353 -11.285 11.797 4.555 1.00 12.43 C ATOM 0 H ILE A 353 -7.974 15.170 3.293 1.00 63.20 H new ATOM 0 HA ILE A 353 -10.790 14.202 3.095 1.00 52.51 H new ATOM 0 HB ILE A 353 -8.730 13.942 5.232 1.00 14.34 H new ATOM 0 HG12 ILE A 353 -9.450 12.146 3.477 1.00 55.22 H new ATOM 0 HG13 ILE A 353 -9.215 11.697 5.154 1.00 55.22 H new ATOM 0 HG21 ILE A 353 -10.515 13.475 6.859 1.00 64.24 H new ATOM 0 HG22 ILE A 353 -10.541 15.165 6.303 1.00 64.24 H new ATOM 0 HG23 ILE A 353 -11.730 14.001 5.671 1.00 64.24 H new ATOM 0 HD11 ILE A 353 -11.324 10.744 4.278 1.00 12.43 H new ATOM 0 HD12 ILE A 353 -11.662 11.920 5.570 1.00 12.43 H new ATOM 0 HD13 ILE A 353 -11.900 12.376 3.867 1.00 12.43 H new ATOM 123 N LYS A 354 -11.567 16.466 3.453 1.00 75.12 N ATOM 124 CA LYS A 354 -12.118 17.787 3.705 1.00 63.12 C ATOM 125 C LYS A 354 -12.862 17.778 5.042 1.00 51.15 C ATOM 126 O LYS A 354 -13.403 16.751 5.448 1.00 12.00 O ATOM 127 CB LYS A 354 -12.978 18.243 2.525 1.00 72.03 C ATOM 128 CG LYS A 354 -12.610 19.665 2.095 1.00 72.51 C ATOM 129 CD LYS A 354 -13.864 20.491 1.803 1.00 12.25 C ATOM 130 CE LYS A 354 -13.696 21.309 0.522 1.00 41.34 C ATOM 131 NZ LYS A 354 -12.299 21.781 0.387 1.00 34.14 N ATOM 0 H LYS A 354 -12.124 15.884 2.827 1.00 75.12 H new ATOM 0 HA LYS A 354 -11.319 18.523 3.790 1.00 63.12 H new ATOM 0 HB2 LYS A 354 -12.843 17.559 1.687 1.00 72.03 H new ATOM 0 HB3 LYS A 354 -14.032 18.204 2.802 1.00 72.03 H new ATOM 0 HG2 LYS A 354 -12.027 20.147 2.880 1.00 72.51 H new ATOM 0 HG3 LYS A 354 -11.979 19.628 1.207 1.00 72.51 H new ATOM 0 HD2 LYS A 354 -14.725 19.830 1.706 1.00 12.25 H new ATOM 0 HD3 LYS A 354 -14.067 21.158 2.641 1.00 12.25 H new ATOM 0 HE2 LYS A 354 -13.966 20.702 -0.342 1.00 41.34 H new ATOM 0 HE3 LYS A 354 -14.374 22.162 0.537 1.00 41.34 H new ATOM 0 HZ1 LYS A 354 -12.274 22.619 -0.229 1.00 34.14 H new ATOM 0 HZ2 LYS A 354 -11.924 22.029 1.325 1.00 34.14 H new ATOM 0 HZ3 LYS A 354 -11.717 21.027 -0.030 1.00 34.14 H new ATOM 144 N VAL A 355 -12.866 18.935 5.688 1.00 24.51 N ATOM 145 CA VAL A 355 -13.535 19.073 6.970 1.00 23.15 C ATOM 146 C VAL A 355 -14.938 19.642 6.750 1.00 23.01 C ATOM 147 O VAL A 355 -15.118 20.573 5.967 1.00 42.12 O ATOM 148 CB VAL A 355 -12.685 19.926 7.915 1.00 50.14 C ATOM 149 CG1 VAL A 355 -13.529 20.474 9.067 1.00 23.24 C ATOM 150 CG2 VAL A 355 -11.486 19.134 8.440 1.00 34.34 C ATOM 0 H VAL A 355 -12.417 19.785 5.347 1.00 24.51 H new ATOM 0 HA VAL A 355 -13.650 18.100 7.447 1.00 23.15 H new ATOM 0 HB VAL A 355 -12.302 20.775 7.348 1.00 50.14 H new ATOM 0 HG11 VAL A 355 -12.901 21.076 9.724 1.00 23.24 H new ATOM 0 HG12 VAL A 355 -14.333 21.092 8.667 1.00 23.24 H new ATOM 0 HG13 VAL A 355 -13.955 19.645 9.632 1.00 23.24 H new ATOM 0 HG21 VAL A 355 -10.899 19.763 9.109 1.00 34.34 H new ATOM 0 HG22 VAL A 355 -11.839 18.257 8.983 1.00 34.34 H new ATOM 0 HG23 VAL A 355 -10.865 18.816 7.603 1.00 34.34 H new ATOM 160 N THR A 356 -15.896 19.058 7.455 1.00 43.30 N ATOM 161 CA THR A 356 -17.277 19.496 7.346 1.00 31.42 C ATOM 162 C THR A 356 -17.608 20.499 8.453 1.00 64.11 C ATOM 163 O THR A 356 -17.132 20.365 9.579 1.00 5.42 O ATOM 164 CB THR A 356 -18.169 18.253 7.366 1.00 34.23 C ATOM 165 OG1 THR A 356 -17.636 17.460 8.423 1.00 31.33 O ATOM 166 CG2 THR A 356 -17.990 17.383 6.121 1.00 61.24 C ATOM 0 H THR A 356 -15.743 18.286 8.103 1.00 43.30 H new ATOM 0 HA THR A 356 -17.452 20.025 6.409 1.00 31.42 H new ATOM 0 HB THR A 356 -19.212 18.557 7.449 1.00 34.23 H new ATOM 0 HG1 THR A 356 -17.911 16.527 8.303 1.00 31.33 H new ATOM 0 HG21 THR A 356 -18.646 16.515 6.186 1.00 61.24 H new ATOM 0 HG22 THR A 356 -18.242 17.962 5.233 1.00 61.24 H new ATOM 0 HG23 THR A 356 -16.954 17.051 6.055 1.00 61.24 H new ATOM 174 N GLN A 357 -18.421 21.481 8.093 1.00 2.15 N ATOM 175 CA GLN A 357 -18.821 22.507 9.042 1.00 24.31 C ATOM 176 C GLN A 357 -19.146 21.878 10.398 1.00 32.52 C ATOM 177 O GLN A 357 -18.750 22.399 11.439 1.00 14.15 O ATOM 178 CB GLN A 357 -20.009 23.311 8.511 1.00 1.14 C ATOM 179 CG GLN A 357 -19.553 24.350 7.485 1.00 12.31 C ATOM 180 CD GLN A 357 -20.554 25.504 7.392 1.00 44.20 C ATOM 181 OE1 GLN A 357 -21.202 25.717 6.381 1.00 52.52 O ATOM 182 NE2 GLN A 357 -20.642 26.234 8.500 1.00 11.31 N ATOM 0 H GLN A 357 -18.814 21.588 7.158 1.00 2.15 H new ATOM 0 HA GLN A 357 -17.988 23.197 9.174 1.00 24.31 H new ATOM 0 HB2 GLN A 357 -20.734 22.637 8.054 1.00 1.14 H new ATOM 0 HB3 GLN A 357 -20.515 23.809 9.338 1.00 1.14 H new ATOM 0 HG2 GLN A 357 -18.572 24.736 7.764 1.00 12.31 H new ATOM 0 HG3 GLN A 357 -19.444 23.879 6.508 1.00 12.31 H new ATOM 0 HE21 GLN A 357 -20.070 26.000 9.311 1.00 11.31 H new ATOM 0 HE22 GLN A 357 -21.282 27.028 8.538 1.00 11.31 H new ATOM 191 N GLU A 358 -19.864 20.766 10.342 1.00 73.54 N ATOM 192 CA GLU A 358 -20.248 20.060 11.553 1.00 65.34 C ATOM 193 C GLU A 358 -19.043 19.913 12.485 1.00 73.41 C ATOM 194 O GLU A 358 -19.128 20.233 13.669 1.00 12.04 O ATOM 195 CB GLU A 358 -20.855 18.695 11.223 1.00 54.13 C ATOM 196 CG GLU A 358 -19.918 17.878 10.332 1.00 63.03 C ATOM 197 CD GLU A 358 -20.709 16.937 9.421 1.00 43.14 C ATOM 198 OE1 GLU A 358 -20.281 16.666 8.289 1.00 74.14 O ATOM 199 OE2 GLU A 358 -21.804 16.481 9.927 1.00 50.00 O ATOM 0 H GLU A 358 -20.190 20.336 9.476 1.00 73.54 H new ATOM 0 HA GLU A 358 -21.011 20.646 12.066 1.00 65.34 H new ATOM 0 HB2 GLU A 358 -21.053 18.149 12.145 1.00 54.13 H new ATOM 0 HB3 GLU A 358 -21.813 18.831 10.721 1.00 54.13 H new ATOM 0 HG2 GLU A 358 -19.309 18.549 9.726 1.00 63.03 H new ATOM 0 HG3 GLU A 358 -19.234 17.299 10.952 1.00 63.03 H new ATOM 207 N GLN A 359 -17.950 19.428 11.915 1.00 21.21 N ATOM 208 CA GLN A 359 -16.730 19.234 12.680 1.00 0.44 C ATOM 209 C GLN A 359 -16.249 20.567 13.259 1.00 74.21 C ATOM 210 O GLN A 359 -16.256 20.759 14.474 1.00 74.32 O ATOM 211 CB GLN A 359 -15.642 18.585 11.823 1.00 31.41 C ATOM 212 CG GLN A 359 -16.141 17.278 11.202 1.00 5.04 C ATOM 213 CD GLN A 359 -15.836 16.087 12.113 1.00 23.02 C ATOM 214 OE1 GLN A 359 -16.335 15.976 13.221 1.00 71.43 O ATOM 215 NE2 GLN A 359 -14.990 15.206 11.586 1.00 32.45 N ATOM 0 H GLN A 359 -17.884 19.163 10.932 1.00 21.21 H new ATOM 0 HA GLN A 359 -16.947 18.557 13.507 1.00 0.44 H new ATOM 0 HB2 GLN A 359 -15.336 19.273 11.035 1.00 31.41 H new ATOM 0 HB3 GLN A 359 -14.761 18.389 12.434 1.00 31.41 H new ATOM 0 HG2 GLN A 359 -17.215 17.341 11.027 1.00 5.04 H new ATOM 0 HG3 GLN A 359 -15.668 17.129 10.231 1.00 5.04 H new ATOM 0 HE21 GLN A 359 -14.609 15.360 10.652 1.00 32.45 H new ATOM 0 HE22 GLN A 359 -14.722 14.376 12.115 1.00 32.45 H new ATOM 224 N TYR A 360 -15.843 21.453 12.362 1.00 74.15 N ATOM 225 CA TYR A 360 -15.360 22.762 12.768 1.00 73.24 C ATOM 226 C TYR A 360 -16.177 23.308 13.940 1.00 10.15 C ATOM 227 O TYR A 360 -15.625 23.920 14.854 1.00 35.20 O ATOM 228 CB TYR A 360 -15.554 23.677 11.557 1.00 63.11 C ATOM 229 CG TYR A 360 -14.863 25.036 11.687 1.00 20.24 C ATOM 230 CD1 TYR A 360 -13.560 25.107 12.137 1.00 51.33 C ATOM 231 CD2 TYR A 360 -15.543 26.190 11.356 1.00 41.33 C ATOM 232 CE1 TYR A 360 -12.910 26.386 12.259 1.00 1.35 C ATOM 233 CE2 TYR A 360 -14.893 27.469 11.479 1.00 42.35 C ATOM 234 CZ TYR A 360 -13.608 27.504 11.924 1.00 14.24 C ATOM 235 OH TYR A 360 -12.994 28.712 12.040 1.00 14.13 O ATOM 0 H TYR A 360 -15.838 21.290 11.355 1.00 74.15 H new ATOM 0 HA TYR A 360 -14.319 22.705 13.087 1.00 73.24 H new ATOM 0 HB2 TYR A 360 -15.175 23.172 10.668 1.00 63.11 H new ATOM 0 HB3 TYR A 360 -16.621 23.837 11.402 1.00 63.11 H new ATOM 0 HD1 TYR A 360 -13.028 24.204 12.397 1.00 51.33 H new ATOM 0 HD2 TYR A 360 -16.563 26.134 11.005 1.00 41.33 H new ATOM 0 HE1 TYR A 360 -11.891 26.456 12.609 1.00 1.35 H new ATOM 0 HE2 TYR A 360 -15.414 28.380 11.224 1.00 42.35 H new ATOM 0 HH TYR A 360 -13.612 29.421 11.765 1.00 14.13 H new ATOM 245 N GLU A 361 -17.478 23.067 13.877 1.00 53.42 N ATOM 246 CA GLU A 361 -18.377 23.528 14.922 1.00 25.42 C ATOM 247 C GLU A 361 -18.158 22.721 16.203 1.00 24.54 C ATOM 248 O GLU A 361 -18.043 23.290 17.288 1.00 64.32 O ATOM 249 CB GLU A 361 -19.835 23.448 14.466 1.00 22.25 C ATOM 250 CG GLU A 361 -20.162 24.568 13.477 1.00 71.11 C ATOM 251 CD GLU A 361 -20.567 25.848 14.211 1.00 31.54 C ATOM 252 OE1 GLU A 361 -21.630 25.886 14.850 1.00 45.13 O ATOM 253 OE2 GLU A 361 -19.733 26.826 14.103 1.00 22.54 O ATOM 0 H GLU A 361 -17.932 22.558 13.118 1.00 53.42 H new ATOM 0 HA GLU A 361 -18.154 24.574 15.132 1.00 25.42 H new ATOM 0 HB2 GLU A 361 -20.021 22.480 14.000 1.00 22.25 H new ATOM 0 HB3 GLU A 361 -20.495 23.518 15.331 1.00 22.25 H new ATOM 0 HG2 GLU A 361 -19.295 24.765 12.846 1.00 71.11 H new ATOM 0 HG3 GLU A 361 -20.970 24.251 12.818 1.00 71.11 H new ATOM 261 N LEU A 362 -18.106 21.407 16.036 1.00 15.21 N ATOM 262 CA LEU A 362 -17.903 20.516 17.166 1.00 54.22 C ATOM 263 C LEU A 362 -16.591 20.877 17.865 1.00 52.10 C ATOM 264 O LEU A 362 -16.448 20.763 19.083 1.00 61.13 O ATOM 265 CB LEU A 362 -17.979 19.056 16.717 1.00 73.45 C ATOM 266 CG LEU A 362 -18.137 18.019 17.830 1.00 23.54 C ATOM 267 CD1 LEU A 362 -18.354 16.620 17.250 1.00 33.34 C ATOM 268 CD2 LEU A 362 -16.947 18.062 18.792 1.00 73.32 C ATOM 0 H LEU A 362 -18.201 20.938 15.135 1.00 15.21 H new ATOM 0 HA LEU A 362 -18.700 20.642 17.899 1.00 54.22 H new ATOM 0 HB2 LEU A 362 -18.818 18.952 16.029 1.00 73.45 H new ATOM 0 HB3 LEU A 362 -17.075 18.822 16.155 1.00 73.45 H new ATOM 0 HG LEU A 362 -19.027 18.270 18.407 1.00 23.54 H new ATOM 0 HD11 LEU A 362 -18.463 15.902 18.063 1.00 33.34 H new ATOM 0 HD12 LEU A 362 -19.256 16.616 16.638 1.00 33.34 H new ATOM 0 HD13 LEU A 362 -17.497 16.344 16.635 1.00 33.34 H new ATOM 0 HD21 LEU A 362 -17.084 17.315 19.574 1.00 73.32 H new ATOM 0 HD22 LEU A 362 -16.029 17.850 18.244 1.00 73.32 H new ATOM 0 HD23 LEU A 362 -16.880 19.052 19.244 1.00 73.32 H new HETATM 280 N PTR A 363 -15.629 21.319 17.061 1.00 34.10 N HETATM 281 CA PTR A 363 -14.320 21.702 17.575 1.00 12.44 C HETATM 282 C PTR A 363 -14.321 23.157 18.033 1.00 40.21 C HETATM 283 O PTR A 363 -13.450 23.544 18.810 1.00 11.45 O HETATM 284 CB PTR A 363 -13.248 21.493 16.504 1.00 3.15 C HETATM 285 CG PTR A 363 -12.941 20.038 16.230 1.00 4.05 C HETATM 286 CD1 PTR A 363 -11.647 19.547 16.352 1.00 63.15 C HETATM 287 CD2 PTR A 363 -13.945 19.156 15.852 1.00 40.34 C HETATM 288 CE1 PTR A 363 -11.363 18.218 16.102 1.00 43.23 C HETATM 289 CE2 PTR A 363 -13.669 17.826 15.601 1.00 44.12 C HETATM 290 CZ PTR A 363 -12.376 17.362 15.727 1.00 13.31 C HETATM 291 OH PTR A 363 -12.085 15.976 15.466 1.00 44.21 O HETATM 292 P PTR A 363 -11.172 15.117 16.506 1.00 4.44 P HETATM 293 O1P PTR A 363 -12.089 14.048 17.077 1.00 63.45 O HETATM 294 O2P PTR A 363 -10.695 16.109 17.556 1.00 53.22 O HETATM 295 O3P PTR A 363 -10.033 14.540 15.681 1.00 73.21 O HETATM 0 HE2 PTR A 363 -14.469 17.147 15.305 1.00 44.12 H new HETATM 0 HE1 PTR A 363 -10.342 17.848 16.201 1.00 43.23 H new HETATM 0 HD2 PTR A 363 -14.968 19.519 15.752 1.00 40.34 H new HETATM 0 HD1 PTR A 363 -10.843 20.221 16.650 1.00 63.15 H new HETATM 0 HB3 PTR A 363 -13.574 21.967 15.578 1.00 3.15 H new HETATM 0 HB2 PTR A 363 -12.333 21.996 16.815 1.00 3.15 H new HETATM 0 HA PTR A 363 -14.094 21.069 18.434 1.00 12.44 H new ATOM 304 N CYS A 364 -15.287 23.923 17.546 1.00 23.33 N ATOM 305 CA CYS A 364 -15.386 25.325 17.912 1.00 12.34 C ATOM 306 C CYS A 364 -15.670 25.411 19.413 1.00 0.14 C ATOM 307 O CYS A 364 -15.281 26.377 20.068 1.00 22.11 O ATOM 308 CB CYS A 364 -16.451 26.051 17.088 1.00 72.02 C ATOM 309 SG CYS A 364 -15.713 26.701 15.545 1.00 63.12 S ATOM 0 H CYS A 364 -16.008 23.599 16.901 1.00 23.33 H new ATOM 0 HA CYS A 364 -14.444 25.828 17.692 1.00 12.34 H new ATOM 0 HB2 CYS A 364 -17.267 25.368 16.851 1.00 72.02 H new ATOM 0 HB3 CYS A 364 -16.878 26.868 17.669 1.00 72.02 H new ATOM 0 HG CYS A 364 -15.434 25.713 14.748 1.00 63.12 H new ATOM 315 N GLU A 365 -16.346 24.388 19.915 1.00 61.22 N ATOM 316 CA GLU A 365 -16.686 24.335 21.326 1.00 14.44 C ATOM 317 C GLU A 365 -15.420 24.189 22.173 1.00 72.13 C ATOM 318 O GLU A 365 -15.435 24.464 23.371 1.00 12.15 O ATOM 319 CB GLU A 365 -17.671 23.199 21.611 1.00 3.33 C ATOM 320 CG GLU A 365 -18.939 23.348 20.768 1.00 2.22 C ATOM 321 CD GLU A 365 -19.482 24.777 20.843 1.00 71.44 C ATOM 322 OE1 GLU A 365 -19.256 25.575 19.921 1.00 24.21 O ATOM 323 OE2 GLU A 365 -20.163 25.046 21.905 1.00 42.33 O ATOM 0 H GLU A 365 -16.668 23.589 19.369 1.00 61.22 H new ATOM 0 HA GLU A 365 -17.174 25.271 21.597 1.00 14.44 H new ATOM 0 HB2 GLU A 365 -17.198 22.241 21.397 1.00 3.33 H new ATOM 0 HB3 GLU A 365 -17.932 23.196 22.669 1.00 3.33 H new ATOM 0 HG2 GLU A 365 -18.723 23.091 19.731 1.00 2.22 H new ATOM 0 HG3 GLU A 365 -19.697 22.648 21.118 1.00 2.22 H new ATOM 331 N MET A 366 -14.354 23.756 21.516 1.00 74.44 N ATOM 332 CA MET A 366 -13.082 23.569 22.193 1.00 53.24 C ATOM 333 C MET A 366 -11.962 24.323 21.472 1.00 33.15 C ATOM 334 O MET A 366 -10.788 24.161 21.802 1.00 34.41 O ATOM 335 CB MET A 366 -12.744 22.078 22.243 1.00 72.13 C ATOM 336 CG MET A 366 -13.155 21.379 20.945 1.00 65.21 C ATOM 337 SD MET A 366 -12.675 19.660 20.999 1.00 1.42 S ATOM 338 CE MET A 366 -14.187 18.899 20.435 1.00 72.55 C ATOM 0 H MET A 366 -14.345 23.529 20.522 1.00 74.44 H new ATOM 0 HA MET A 366 -13.168 23.965 23.205 1.00 53.24 H new ATOM 0 HB2 MET A 366 -11.674 21.949 22.407 1.00 72.13 H new ATOM 0 HB3 MET A 366 -13.254 21.614 23.087 1.00 72.13 H new ATOM 0 HG2 MET A 366 -14.233 21.460 20.804 1.00 65.21 H new ATOM 0 HG3 MET A 366 -12.685 21.870 20.093 1.00 65.21 H new ATOM 0 HE1 MET A 366 -14.185 17.843 20.704 1.00 72.55 H new ATOM 0 HE2 MET A 366 -15.039 19.392 20.904 1.00 72.55 H new ATOM 0 HE3 MET A 366 -14.262 18.997 19.352 1.00 72.55 H new ATOM 348 N GLY A 367 -12.365 25.131 20.503 1.00 63.13 N ATOM 349 CA GLY A 367 -11.410 25.910 19.733 1.00 4.12 C ATOM 350 C GLY A 367 -10.185 25.069 19.366 1.00 53.21 C ATOM 351 O GLY A 367 -9.054 25.455 19.655 1.00 24.41 O ATOM 0 H GLY A 367 -13.340 25.263 20.233 1.00 63.13 H new ATOM 0 HA2 GLY A 367 -11.886 26.281 18.825 1.00 4.12 H new ATOM 0 HA3 GLY A 367 -11.098 26.781 20.309 1.00 4.12 H new ATOM 355 N SER A 368 -10.453 23.936 18.734 1.00 55.01 N ATOM 356 CA SER A 368 -9.388 23.037 18.324 1.00 42.30 C ATOM 357 C SER A 368 -9.432 22.830 16.809 1.00 72.32 C ATOM 358 O SER A 368 -10.300 23.376 16.129 1.00 64.01 O ATOM 359 CB SER A 368 -9.492 21.693 19.047 1.00 12.22 C ATOM 360 OG SER A 368 -9.377 21.837 20.460 1.00 33.13 O ATOM 0 H SER A 368 -11.393 23.620 18.496 1.00 55.01 H new ATOM 0 HA SER A 368 -8.435 23.491 18.595 1.00 42.30 H new ATOM 0 HB2 SER A 368 -10.447 21.225 18.807 1.00 12.22 H new ATOM 0 HB3 SER A 368 -8.710 21.025 18.686 1.00 12.22 H new ATOM 0 HG SER A 368 -9.943 22.578 20.760 1.00 33.13 H new ATOM 366 N THR A 369 -8.486 22.039 16.324 1.00 31.11 N ATOM 367 CA THR A 369 -8.406 21.752 14.902 1.00 53.32 C ATOM 368 C THR A 369 -8.425 20.242 14.660 1.00 20.33 C ATOM 369 O THR A 369 -7.684 19.498 15.301 1.00 62.21 O ATOM 370 CB THR A 369 -7.156 22.440 14.350 1.00 0.44 C ATOM 371 OG1 THR A 369 -6.185 22.272 15.379 1.00 3.14 O ATOM 372 CG2 THR A 369 -7.323 23.957 14.240 1.00 41.30 C ATOM 0 H THR A 369 -7.768 21.588 16.891 1.00 31.11 H new ATOM 0 HA THR A 369 -9.273 22.145 14.371 1.00 53.32 H new ATOM 0 HB THR A 369 -6.919 22.029 13.369 1.00 0.44 H new ATOM 0 HG1 THR A 369 -5.337 22.674 15.097 1.00 3.14 H new ATOM 0 HG21 THR A 369 -6.408 24.396 13.843 1.00 41.30 H new ATOM 0 HG22 THR A 369 -8.154 24.184 13.572 1.00 41.30 H new ATOM 0 HG23 THR A 369 -7.527 24.373 15.227 1.00 41.30 H new ATOM 380 N PHE A 370 -9.280 19.833 13.735 1.00 52.25 N ATOM 381 CA PHE A 370 -9.405 18.425 13.400 1.00 33.45 C ATOM 382 C PHE A 370 -8.081 17.866 12.875 1.00 12.02 C ATOM 383 O PHE A 370 -7.474 17.002 13.506 1.00 73.33 O ATOM 384 CB PHE A 370 -10.463 18.318 12.300 1.00 45.22 C ATOM 385 CG PHE A 370 -10.546 16.936 11.649 1.00 51.12 C ATOM 386 CD1 PHE A 370 -10.876 15.850 12.398 1.00 11.24 C ATOM 387 CD2 PHE A 370 -10.290 16.793 10.321 1.00 54.33 C ATOM 388 CE1 PHE A 370 -10.954 14.568 11.794 1.00 24.43 C ATOM 389 CE2 PHE A 370 -10.368 15.511 9.717 1.00 61.54 C ATOM 390 CZ PHE A 370 -10.698 14.425 10.466 1.00 21.32 C ATOM 0 H PHE A 370 -9.894 20.453 13.206 1.00 52.25 H new ATOM 0 HA PHE A 370 -9.682 17.855 14.287 1.00 33.45 H new ATOM 0 HB2 PHE A 370 -11.437 18.569 12.721 1.00 45.22 H new ATOM 0 HB3 PHE A 370 -10.248 19.059 11.530 1.00 45.22 H new ATOM 0 HD1 PHE A 370 -11.079 15.963 13.453 1.00 11.24 H new ATOM 0 HD2 PHE A 370 -10.027 17.655 9.726 1.00 54.33 H new ATOM 0 HE1 PHE A 370 -11.217 13.706 12.389 1.00 24.43 H new ATOM 0 HE2 PHE A 370 -10.165 15.398 8.662 1.00 61.54 H new ATOM 0 HZ PHE A 370 -10.757 13.449 10.006 1.00 21.32 H new ATOM 400 N GLN A 371 -7.672 18.383 11.726 1.00 73.43 N ATOM 401 CA GLN A 371 -6.431 17.946 11.108 1.00 13.35 C ATOM 402 C GLN A 371 -5.328 17.828 12.162 1.00 62.54 C ATOM 403 O GLN A 371 -4.392 17.046 12.000 1.00 71.42 O ATOM 404 CB GLN A 371 -6.015 18.896 9.983 1.00 33.51 C ATOM 405 CG GLN A 371 -5.897 20.333 10.494 1.00 60.12 C ATOM 406 CD GLN A 371 -7.223 21.081 10.339 1.00 62.32 C ATOM 407 OE1 GLN A 371 -7.976 21.079 11.435 1.00 22.02 O flip ATOM 408 NE2 GLN A 371 -7.541 21.623 9.293 1.00 51.31 N flip ATOM 0 H GLN A 371 -8.178 19.100 11.206 1.00 73.43 H new ATOM 0 HA GLN A 371 -6.593 16.962 10.667 1.00 13.35 H new ATOM 0 HB2 GLN A 371 -5.061 18.575 9.566 1.00 33.51 H new ATOM 0 HB3 GLN A 371 -6.747 18.852 9.176 1.00 33.51 H new ATOM 0 HG2 GLN A 371 -5.599 20.327 11.543 1.00 60.12 H new ATOM 0 HG3 GLN A 371 -5.114 20.855 9.944 1.00 60.12 H new ATOM 0 HE21 GLN A 371 -6.915 21.586 8.489 1.00 51.31 H new ATOM 0 HE22 GLN A 371 -8.433 22.113 9.223 1.00 51.31 H new ATOM 417 N LEU A 372 -5.474 18.615 13.217 1.00 42.00 N ATOM 418 CA LEU A 372 -4.501 18.608 14.296 1.00 20.13 C ATOM 419 C LEU A 372 -4.633 17.305 15.087 1.00 23.22 C ATOM 420 O LEU A 372 -5.694 16.959 15.605 1.00 11.32 O ATOM 421 CB LEU A 372 -4.645 19.866 15.155 1.00 24.13 C ATOM 422 CG LEU A 372 -3.407 20.276 15.956 1.00 50.31 C ATOM 423 CD1 LEU A 372 -3.803 21.001 17.244 1.00 43.33 C ATOM 424 CD2 LEU A 372 -2.507 19.070 16.231 1.00 61.12 C ATOM 0 H LEU A 372 -6.252 19.262 13.348 1.00 42.00 H new ATOM 0 HA LEU A 372 -3.488 18.637 13.896 1.00 20.13 H new ATOM 0 HB2 LEU A 372 -4.924 20.696 14.505 1.00 24.13 H new ATOM 0 HB3 LEU A 372 -5.470 19.714 15.851 1.00 24.13 H new ATOM 0 HG LEU A 372 -2.829 20.978 15.355 1.00 50.31 H new ATOM 0 HD11 LEU A 372 -2.905 21.281 17.794 1.00 43.33 H new ATOM 0 HD12 LEU A 372 -4.372 21.897 16.997 1.00 43.33 H new ATOM 0 HD13 LEU A 372 -4.415 20.341 17.859 1.00 43.33 H new ATOM 0 HD21 LEU A 372 -1.635 19.389 16.801 1.00 61.12 H new ATOM 0 HD22 LEU A 372 -3.061 18.325 16.802 1.00 61.12 H new ATOM 0 HD23 LEU A 372 -2.183 18.635 15.286 1.00 61.12 H new ATOM 436 N CYS A 373 -3.520 16.582 15.169 1.00 4.53 N ATOM 437 CA CYS A 373 -3.481 15.315 15.888 1.00 35.20 C ATOM 438 C CYS A 373 -3.961 15.489 17.326 1.00 14.20 C ATOM 439 O CYS A 373 -3.518 16.417 18.000 1.00 4.42 O ATOM 440 CB CYS A 373 -2.063 14.741 15.878 1.00 14.24 C ATOM 441 SG CYS A 373 -0.837 15.777 16.740 1.00 41.32 S ATOM 0 H CYS A 373 -2.633 16.853 14.745 1.00 4.53 H new ATOM 0 HA CYS A 373 -4.151 14.620 15.382 1.00 35.20 H new ATOM 0 HB2 CYS A 373 -2.079 13.754 16.340 1.00 14.24 H new ATOM 0 HB3 CYS A 373 -1.745 14.604 14.844 1.00 14.24 H new ATOM 446 N LYS A 374 -4.847 14.604 17.759 1.00 55.25 N ATOM 447 CA LYS A 374 -5.375 14.673 19.111 1.00 72.13 C ATOM 448 C LYS A 374 -4.528 13.790 20.030 1.00 51.35 C ATOM 449 O LYS A 374 -5.040 13.217 20.990 1.00 3.32 O ATOM 450 CB LYS A 374 -6.864 14.323 19.123 1.00 35.40 C ATOM 451 CG LYS A 374 -7.650 15.233 18.176 1.00 23.42 C ATOM 452 CD LYS A 374 -7.135 16.672 18.247 1.00 35.21 C ATOM 453 CE LYS A 374 -7.987 17.602 17.380 1.00 32.45 C ATOM 454 NZ LYS A 374 -8.193 17.014 16.038 1.00 41.34 N ATOM 0 H LYS A 374 -5.213 13.835 17.197 1.00 55.25 H new ATOM 0 HA LYS A 374 -5.308 15.691 19.495 1.00 72.13 H new ATOM 0 HB2 LYS A 374 -6.999 13.282 18.828 1.00 35.40 H new ATOM 0 HB3 LYS A 374 -7.256 14.421 20.135 1.00 35.40 H new ATOM 0 HG2 LYS A 374 -7.564 14.862 17.155 1.00 23.42 H new ATOM 0 HG3 LYS A 374 -8.708 15.208 18.436 1.00 23.42 H new ATOM 0 HD2 LYS A 374 -7.150 17.017 19.281 1.00 35.21 H new ATOM 0 HD3 LYS A 374 -6.098 16.708 17.914 1.00 35.21 H new ATOM 0 HE2 LYS A 374 -8.950 17.775 17.860 1.00 32.45 H new ATOM 0 HE3 LYS A 374 -7.498 18.572 17.288 1.00 32.45 H new ATOM 0 HZ1 LYS A 374 -8.279 17.775 15.335 1.00 41.34 H new ATOM 0 HZ2 LYS A 374 -7.383 16.409 15.796 1.00 41.34 H new ATOM 0 HZ3 LYS A 374 -9.063 16.444 16.039 1.00 41.34 H new ATOM 467 N ILE A 375 -3.247 13.708 19.702 1.00 1.52 N ATOM 468 CA ILE A 375 -2.324 12.905 20.486 1.00 1.41 C ATOM 469 C ILE A 375 -1.312 13.824 21.174 1.00 54.31 C ATOM 470 O ILE A 375 -1.229 13.853 22.401 1.00 44.23 O ATOM 471 CB ILE A 375 -1.680 11.825 19.615 1.00 51.15 C ATOM 472 CG1 ILE A 375 -2.745 10.942 18.960 1.00 44.20 C ATOM 473 CG2 ILE A 375 -0.669 11.004 20.417 1.00 44.11 C ATOM 474 CD1 ILE A 375 -2.140 9.624 18.473 1.00 62.01 C ATOM 0 H ILE A 375 -2.826 14.184 18.904 1.00 1.52 H new ATOM 0 HA ILE A 375 -2.857 12.372 21.273 1.00 1.41 H new ATOM 0 HB ILE A 375 -1.130 12.316 18.812 1.00 51.15 H new ATOM 0 HG12 ILE A 375 -3.543 10.738 19.674 1.00 44.20 H new ATOM 0 HG13 ILE A 375 -3.196 11.472 18.121 1.00 44.20 H new ATOM 0 HG21 ILE A 375 -0.226 10.243 19.774 1.00 44.11 H new ATOM 0 HG22 ILE A 375 0.115 11.661 20.795 1.00 44.11 H new ATOM 0 HG23 ILE A 375 -1.174 10.522 21.254 1.00 44.11 H new ATOM 0 HD11 ILE A 375 -2.918 9.015 18.012 1.00 62.01 H new ATOM 0 HD12 ILE A 375 -1.359 9.831 17.741 1.00 62.01 H new ATOM 0 HD13 ILE A 375 -1.712 9.086 19.319 1.00 62.01 H new ATOM 486 N CYS A 376 -0.569 14.553 20.354 1.00 75.34 N ATOM 487 CA CYS A 376 0.433 15.470 20.868 1.00 41.33 C ATOM 488 C CYS A 376 -0.069 16.900 20.653 1.00 64.43 C ATOM 489 O CYS A 376 0.387 17.828 21.318 1.00 24.04 O ATOM 490 CB CYS A 376 1.798 15.240 20.215 1.00 11.33 C ATOM 491 SG CYS A 376 1.733 14.738 18.457 1.00 50.33 S ATOM 0 H CYS A 376 -0.641 14.527 19.337 1.00 75.34 H new ATOM 0 HA CYS A 376 0.579 15.294 21.934 1.00 41.33 H new ATOM 0 HB2 CYS A 376 2.382 16.157 20.295 1.00 11.33 H new ATOM 0 HB3 CYS A 376 2.330 14.473 20.778 1.00 11.33 H new ATOM 496 N ALA A 377 -1.001 17.032 19.720 1.00 23.45 N ATOM 497 CA ALA A 377 -1.569 18.332 19.410 1.00 53.15 C ATOM 498 C ALA A 377 -0.443 19.304 19.054 1.00 42.45 C ATOM 499 O ALA A 377 -0.466 20.464 19.463 1.00 54.11 O ATOM 500 CB ALA A 377 -2.408 18.819 20.593 1.00 4.21 C ATOM 0 H ALA A 377 -1.376 16.260 19.169 1.00 23.45 H new ATOM 0 HA ALA A 377 -2.232 18.265 18.547 1.00 53.15 H new ATOM 0 HB1 ALA A 377 -2.834 19.795 20.360 1.00 4.21 H new ATOM 0 HB2 ALA A 377 -3.212 18.109 20.786 1.00 4.21 H new ATOM 0 HB3 ALA A 377 -1.777 18.901 21.478 1.00 4.21 H new ATOM 506 N GLU A 378 0.517 18.796 18.295 1.00 71.22 N ATOM 507 CA GLU A 378 1.650 19.605 17.879 1.00 21.20 C ATOM 508 C GLU A 378 1.837 19.518 16.363 1.00 74.31 C ATOM 509 O GLU A 378 2.053 20.532 15.701 1.00 22.24 O ATOM 510 CB GLU A 378 2.924 19.182 18.613 1.00 1.33 C ATOM 511 CG GLU A 378 3.985 20.283 18.549 1.00 14.31 C ATOM 512 CD GLU A 378 5.366 19.735 18.911 1.00 5.21 C ATOM 513 OE1 GLU A 378 6.118 19.312 18.021 1.00 64.14 O ATOM 514 OE2 GLU A 378 5.650 19.760 20.169 1.00 23.13 O ATOM 0 H GLU A 378 0.533 17.834 17.957 1.00 71.22 H new ATOM 0 HA GLU A 378 1.446 20.643 18.141 1.00 21.20 H new ATOM 0 HB2 GLU A 378 2.691 18.957 19.654 1.00 1.33 H new ATOM 0 HB3 GLU A 378 3.317 18.267 18.169 1.00 1.33 H new ATOM 0 HG2 GLU A 378 4.011 20.710 17.547 1.00 14.31 H new ATOM 0 HG3 GLU A 378 3.719 21.089 19.233 1.00 14.31 H new ATOM 522 N ASN A 379 1.746 18.297 15.857 1.00 74.33 N ATOM 523 CA ASN A 379 1.902 18.064 14.431 1.00 53.11 C ATOM 524 C ASN A 379 0.551 17.666 13.833 1.00 51.44 C ATOM 525 O ASN A 379 -0.424 17.484 14.560 1.00 75.15 O ATOM 526 CB ASN A 379 2.890 16.928 14.163 1.00 23.43 C ATOM 527 CG ASN A 379 4.143 17.075 15.029 1.00 42.41 C ATOM 528 OD1 ASN A 379 4.456 18.139 15.538 1.00 53.33 O ATOM 529 ND2 ASN A 379 4.841 15.952 15.167 1.00 31.41 N ATOM 0 H ASN A 379 1.566 17.458 16.409 1.00 74.33 H new ATOM 0 HA ASN A 379 2.277 18.982 13.979 1.00 53.11 H new ATOM 0 HB2 ASN A 379 2.412 15.970 14.368 1.00 23.43 H new ATOM 0 HB3 ASN A 379 3.170 16.926 13.110 1.00 23.43 H new ATOM 0 HD21 ASN A 379 5.694 15.947 15.726 1.00 31.41 H new ATOM 0 HD22 ASN A 379 4.523 15.095 14.714 1.00 31.41 H new ATOM 536 N ASP A 380 0.537 17.544 12.513 1.00 21.35 N ATOM 537 CA ASP A 380 -0.678 17.171 11.809 1.00 30.02 C ATOM 538 C ASP A 380 -0.758 15.646 11.710 1.00 3.23 C ATOM 539 O ASP A 380 0.246 14.956 11.882 1.00 11.24 O ATOM 540 CB ASP A 380 -0.687 17.738 10.388 1.00 21.12 C ATOM 541 CG ASP A 380 0.634 17.600 9.629 1.00 70.34 C ATOM 542 OD1 ASP A 380 1.666 17.225 10.205 1.00 40.21 O ATOM 543 OD2 ASP A 380 0.576 17.899 8.375 1.00 12.11 O ATOM 0 H ASP A 380 1.348 17.697 11.913 1.00 21.35 H new ATOM 0 HA ASP A 380 -1.526 17.573 12.364 1.00 30.02 H new ATOM 0 HB2 ASP A 380 -1.470 17.238 9.818 1.00 21.12 H new ATOM 0 HB3 ASP A 380 -0.953 18.794 10.436 1.00 21.12 H new ATOM 549 N LYS A 381 -1.961 15.165 11.434 1.00 42.24 N ATOM 550 CA LYS A 381 -2.185 13.735 11.310 1.00 65.22 C ATOM 551 C LYS A 381 -1.411 13.205 10.101 1.00 61.31 C ATOM 552 O LYS A 381 -0.608 12.282 10.229 1.00 20.23 O ATOM 553 CB LYS A 381 -3.683 13.429 11.263 1.00 0.03 C ATOM 554 CG LYS A 381 -4.404 14.036 12.469 1.00 70.23 C ATOM 555 CD LYS A 381 -5.847 14.404 12.116 1.00 4.22 C ATOM 556 CE LYS A 381 -6.763 14.255 13.332 1.00 33.21 C ATOM 557 NZ LYS A 381 -8.172 14.507 12.953 1.00 4.45 N ATOM 0 H LYS A 381 -2.791 15.740 11.293 1.00 42.24 H new ATOM 0 HA LYS A 381 -1.804 13.212 12.187 1.00 65.22 H new ATOM 0 HB2 LYS A 381 -4.110 13.825 10.342 1.00 0.03 H new ATOM 0 HB3 LYS A 381 -3.837 12.350 11.248 1.00 0.03 H new ATOM 0 HG2 LYS A 381 -4.398 13.326 13.296 1.00 70.23 H new ATOM 0 HG3 LYS A 381 -3.870 14.924 12.807 1.00 70.23 H new ATOM 0 HD2 LYS A 381 -5.886 15.430 11.751 1.00 4.22 H new ATOM 0 HD3 LYS A 381 -6.202 13.764 11.308 1.00 4.22 H new ATOM 0 HE2 LYS A 381 -6.666 13.252 13.747 1.00 33.21 H new ATOM 0 HE3 LYS A 381 -6.459 14.954 14.111 1.00 33.21 H new ATOM 0 HZ1 LYS A 381 -8.798 13.898 13.518 1.00 4.45 H new ATOM 0 HZ2 LYS A 381 -8.407 15.504 13.132 1.00 4.45 H new ATOM 0 HZ3 LYS A 381 -8.303 14.296 11.943 1.00 4.45 H new ATOM 570 N ASP A 382 -1.680 13.811 8.954 1.00 1.31 N ATOM 571 CA ASP A 382 -1.019 13.412 7.723 1.00 30.12 C ATOM 572 C ASP A 382 -1.136 11.896 7.556 1.00 61.45 C ATOM 573 O ASP A 382 -0.305 11.275 6.894 1.00 32.21 O ATOM 574 CB ASP A 382 0.468 13.771 7.755 1.00 72.11 C ATOM 575 CG ASP A 382 1.339 12.843 8.603 1.00 23.52 C ATOM 576 OD1 ASP A 382 1.599 13.113 9.785 1.00 13.51 O ATOM 577 OD2 ASP A 382 1.765 11.787 7.995 1.00 54.41 O ATOM 0 H ASP A 382 -2.347 14.576 8.851 1.00 1.31 H new ATOM 0 HA ASP A 382 -1.499 13.937 6.897 1.00 30.12 H new ATOM 0 HB2 ASP A 382 0.849 13.769 6.734 1.00 72.11 H new ATOM 0 HB3 ASP A 382 0.573 14.788 8.132 1.00 72.11 H new ATOM 583 N VAL A 383 -2.174 11.343 8.166 1.00 1.10 N ATOM 584 CA VAL A 383 -2.410 9.911 8.093 1.00 51.33 C ATOM 585 C VAL A 383 -3.902 9.635 8.286 1.00 74.51 C ATOM 586 O VAL A 383 -4.676 10.550 8.563 1.00 74.50 O ATOM 587 CB VAL A 383 -1.530 9.183 9.111 1.00 73.13 C ATOM 588 CG1 VAL A 383 -2.269 8.992 10.437 1.00 74.34 C ATOM 589 CG2 VAL A 383 -1.044 7.843 8.555 1.00 32.45 C ATOM 0 H VAL A 383 -2.861 11.861 8.713 1.00 1.10 H new ATOM 0 HA VAL A 383 -2.133 9.527 7.111 1.00 51.33 H new ATOM 0 HB VAL A 383 -0.655 9.803 9.303 1.00 73.13 H new ATOM 0 HG11 VAL A 383 -1.621 8.472 11.143 1.00 74.34 H new ATOM 0 HG12 VAL A 383 -2.543 9.965 10.845 1.00 74.34 H new ATOM 0 HG13 VAL A 383 -3.170 8.402 10.270 1.00 74.34 H new ATOM 0 HG21 VAL A 383 -0.421 7.345 9.298 1.00 32.45 H new ATOM 0 HG22 VAL A 383 -1.902 7.213 8.321 1.00 32.45 H new ATOM 0 HG23 VAL A 383 -0.462 8.014 7.649 1.00 32.45 H new ATOM 599 N LYS A 384 -4.262 8.369 8.132 1.00 64.41 N ATOM 600 CA LYS A 384 -5.647 7.960 8.286 1.00 74.31 C ATOM 601 C LYS A 384 -5.702 6.460 8.583 1.00 72.23 C ATOM 602 O LYS A 384 -4.783 5.721 8.234 1.00 21.54 O ATOM 603 CB LYS A 384 -6.468 8.375 7.063 1.00 43.01 C ATOM 604 CG LYS A 384 -7.771 7.578 6.980 1.00 22.51 C ATOM 605 CD LYS A 384 -8.633 8.056 5.810 1.00 20.12 C ATOM 606 CE LYS A 384 -9.717 7.030 5.473 1.00 41.24 C ATOM 607 NZ LYS A 384 -9.246 6.107 4.417 1.00 65.44 N ATOM 0 H LYS A 384 -3.617 7.613 7.902 1.00 64.41 H new ATOM 0 HA LYS A 384 -6.102 8.470 9.135 1.00 74.31 H new ATOM 0 HB2 LYS A 384 -6.692 9.440 7.116 1.00 43.01 H new ATOM 0 HB3 LYS A 384 -5.883 8.217 6.157 1.00 43.01 H new ATOM 0 HG2 LYS A 384 -7.546 6.518 6.861 1.00 22.51 H new ATOM 0 HG3 LYS A 384 -8.326 7.684 7.912 1.00 22.51 H new ATOM 0 HD2 LYS A 384 -9.096 9.010 6.061 1.00 20.12 H new ATOM 0 HD3 LYS A 384 -8.004 8.226 4.936 1.00 20.12 H new ATOM 0 HE2 LYS A 384 -9.982 6.465 6.367 1.00 41.24 H new ATOM 0 HE3 LYS A 384 -10.620 7.542 5.141 1.00 41.24 H new ATOM 0 HZ1 LYS A 384 -10.064 5.652 3.964 1.00 65.44 H new ATOM 0 HZ2 LYS A 384 -8.708 6.640 3.705 1.00 65.44 H new ATOM 0 HZ3 LYS A 384 -8.635 5.379 4.839 1.00 65.44 H new ATOM 620 N ILE A 385 -6.789 6.055 9.223 1.00 11.10 N ATOM 621 CA ILE A 385 -6.976 4.657 9.571 1.00 61.44 C ATOM 622 C ILE A 385 -8.270 4.146 8.935 1.00 73.13 C ATOM 623 O ILE A 385 -9.254 4.880 8.845 1.00 24.40 O ATOM 624 CB ILE A 385 -6.921 4.470 11.088 1.00 22.32 C ATOM 625 CG1 ILE A 385 -5.707 5.185 11.685 1.00 12.31 C ATOM 626 CG2 ILE A 385 -6.951 2.986 11.459 1.00 20.33 C ATOM 627 CD1 ILE A 385 -4.411 4.453 11.333 1.00 21.33 C ATOM 0 H ILE A 385 -7.550 6.671 9.510 1.00 11.10 H new ATOM 0 HA ILE A 385 -6.163 4.053 9.169 1.00 61.44 H new ATOM 0 HB ILE A 385 -7.810 4.928 11.521 1.00 22.32 H new ATOM 0 HG12 ILE A 385 -5.664 6.208 11.312 1.00 12.31 H new ATOM 0 HG13 ILE A 385 -5.812 5.245 12.768 1.00 12.31 H new ATOM 0 HG21 ILE A 385 -6.911 2.881 12.543 1.00 20.33 H new ATOM 0 HG22 ILE A 385 -7.870 2.536 11.085 1.00 20.33 H new ATOM 0 HG23 ILE A 385 -6.093 2.482 11.014 1.00 20.33 H new ATOM 0 HD11 ILE A 385 -3.564 4.982 11.770 1.00 21.33 H new ATOM 0 HD12 ILE A 385 -4.448 3.438 11.728 1.00 21.33 H new ATOM 0 HD13 ILE A 385 -4.297 4.416 10.250 1.00 21.33 H new ATOM 639 N GLU A 386 -8.229 2.892 8.509 1.00 25.25 N ATOM 640 CA GLU A 386 -9.386 2.274 7.884 1.00 1.55 C ATOM 641 C GLU A 386 -9.567 0.845 8.399 1.00 74.14 C ATOM 642 O GLU A 386 -8.642 0.262 8.962 1.00 74.12 O ATOM 643 CB GLU A 386 -9.263 2.297 6.360 1.00 50.34 C ATOM 644 CG GLU A 386 -10.078 3.445 5.761 1.00 40.51 C ATOM 645 CD GLU A 386 -10.197 3.300 4.242 1.00 5.14 C ATOM 646 OE1 GLU A 386 -11.212 3.707 3.658 1.00 4.31 O ATOM 647 OE2 GLU A 386 -9.186 2.742 3.668 1.00 65.04 O ATOM 0 H GLU A 386 -7.412 2.287 8.585 1.00 25.25 H new ATOM 0 HA GLU A 386 -10.271 2.850 8.152 1.00 1.55 H new ATOM 0 HB2 GLU A 386 -8.216 2.404 6.078 1.00 50.34 H new ATOM 0 HB3 GLU A 386 -9.608 1.348 5.949 1.00 50.34 H new ATOM 0 HG2 GLU A 386 -11.072 3.461 6.207 1.00 40.51 H new ATOM 0 HG3 GLU A 386 -9.605 4.397 6.003 1.00 40.51 H new ATOM 655 N PRO A 387 -10.798 0.307 8.181 1.00 44.55 N ATOM 656 CA PRO A 387 -11.837 1.066 7.506 1.00 42.23 C ATOM 657 C PRO A 387 -12.428 2.131 8.432 1.00 21.32 C ATOM 658 O PRO A 387 -13.158 3.029 8.014 1.00 61.21 O ATOM 659 CB PRO A 387 -12.857 0.030 7.065 1.00 73.33 C ATOM 660 CG PRO A 387 -12.588 -1.206 7.908 1.00 4.21 C ATOM 661 CD PRO A 387 -11.230 -1.032 8.569 1.00 11.32 C ATOM 0 HA PRO A 387 -11.460 1.625 6.649 1.00 42.23 H new ATOM 0 HB2 PRO A 387 -13.873 0.393 7.218 1.00 73.33 H new ATOM 0 HB3 PRO A 387 -12.754 -0.192 6.003 1.00 73.33 H new ATOM 0 HG2 PRO A 387 -13.366 -1.331 8.661 1.00 4.21 H new ATOM 0 HG3 PRO A 387 -12.598 -2.102 7.287 1.00 4.21 H new ATOM 0 HD2 PRO A 387 -11.302 -1.126 9.653 1.00 11.32 H new ATOM 0 HD3 PRO A 387 -10.524 -1.790 8.229 1.00 11.32 H new ATOM 669 N CYS A 388 -12.093 2.009 9.713 1.00 11.41 N ATOM 670 CA CYS A 388 -12.575 2.945 10.722 1.00 74.41 C ATOM 671 C CYS A 388 -12.649 4.362 10.160 1.00 22.44 C ATOM 672 O CYS A 388 -13.749 4.863 9.934 1.00 1.12 O ATOM 673 CB CYS A 388 -11.664 2.918 11.950 1.00 22.21 C ATOM 674 SG CYS A 388 -9.917 2.562 11.572 1.00 74.03 S ATOM 0 H CYS A 388 -11.490 1.271 10.076 1.00 11.41 H new ATOM 0 HA CYS A 388 -13.579 2.638 11.016 1.00 74.41 H new ATOM 0 HB2 CYS A 388 -11.726 3.881 12.457 1.00 22.21 H new ATOM 0 HB3 CYS A 388 -12.034 2.167 12.647 1.00 22.21 H new ATOM 679 N GLY A 389 -11.490 4.969 9.951 1.00 21.21 N ATOM 680 CA GLY A 389 -11.438 6.320 9.420 1.00 53.24 C ATOM 681 C GLY A 389 -10.830 7.287 10.438 1.00 61.24 C ATOM 682 O GLY A 389 -11.003 8.500 10.328 1.00 74.40 O ATOM 0 H GLY A 389 -10.580 4.550 10.140 1.00 21.21 H new ATOM 0 HA2 GLY A 389 -10.847 6.332 8.504 1.00 53.24 H new ATOM 0 HA3 GLY A 389 -12.443 6.649 9.155 1.00 53.24 H new ATOM 686 N HIS A 390 -10.129 6.713 11.405 1.00 14.40 N ATOM 687 CA HIS A 390 -9.494 7.509 12.442 1.00 52.12 C ATOM 688 C HIS A 390 -8.230 8.165 11.883 1.00 24.42 C ATOM 689 O HIS A 390 -7.539 7.580 11.050 1.00 52.02 O ATOM 690 CB HIS A 390 -9.223 6.662 13.687 1.00 42.33 C ATOM 691 CG HIS A 390 -10.413 5.858 14.154 1.00 44.20 C ATOM 692 ND1 HIS A 390 -10.354 4.494 14.378 1.00 30.23 N ATOM 693 CD2 HIS A 390 -11.691 6.241 14.437 1.00 21.44 C ATOM 694 CE1 HIS A 390 -11.549 4.084 14.777 1.00 20.14 C ATOM 695 NE2 HIS A 390 -12.376 5.168 14.813 1.00 72.20 N ATOM 0 H HIS A 390 -9.987 5.707 11.492 1.00 14.40 H new ATOM 0 HA HIS A 390 -10.166 8.307 12.757 1.00 52.12 H new ATOM 0 HB2 HIS A 390 -8.397 5.982 13.478 1.00 42.33 H new ATOM 0 HB3 HIS A 390 -8.900 7.317 14.496 1.00 42.33 H new ATOM 0 HD2 HIS A 390 -12.080 7.246 14.367 1.00 21.44 H new ATOM 0 HE1 HIS A 390 -11.821 3.070 15.029 1.00 20.14 H new ATOM 0 HE2 HIS A 390 -13.359 5.156 15.084 1.00 72.20 H new ATOM 703 N LEU A 391 -7.964 9.370 12.365 1.00 55.01 N ATOM 704 CA LEU A 391 -6.795 10.111 11.924 1.00 11.53 C ATOM 705 C LEU A 391 -5.862 10.339 13.116 1.00 54.45 C ATOM 706 O LEU A 391 -6.304 10.340 14.263 1.00 34.14 O ATOM 707 CB LEU A 391 -7.214 11.401 11.216 1.00 51.23 C ATOM 708 CG LEU A 391 -8.541 11.348 10.456 1.00 13.53 C ATOM 709 CD1 LEU A 391 -8.521 10.250 9.392 1.00 23.41 C ATOM 710 CD2 LEU A 391 -9.719 11.191 11.420 1.00 22.34 C ATOM 0 H LEU A 391 -8.538 9.852 13.057 1.00 55.01 H new ATOM 0 HA LEU A 391 -6.236 9.536 11.186 1.00 11.53 H new ATOM 0 HB2 LEU A 391 -7.275 12.196 11.959 1.00 51.23 H new ATOM 0 HB3 LEU A 391 -6.427 11.679 10.515 1.00 51.23 H new ATOM 0 HG LEU A 391 -8.674 12.297 9.936 1.00 13.53 H new ATOM 0 HD11 LEU A 391 -9.476 10.235 8.867 1.00 23.41 H new ATOM 0 HD12 LEU A 391 -7.719 10.447 8.681 1.00 23.41 H new ATOM 0 HD13 LEU A 391 -8.353 9.284 9.869 1.00 23.41 H new ATOM 0 HD21 LEU A 391 -10.650 11.156 10.854 1.00 22.34 H new ATOM 0 HD22 LEU A 391 -9.604 10.267 11.987 1.00 22.34 H new ATOM 0 HD23 LEU A 391 -9.743 12.038 12.106 1.00 22.34 H new ATOM 722 N MET A 392 -4.589 10.527 12.802 1.00 50.54 N ATOM 723 CA MET A 392 -3.590 10.756 13.832 1.00 72.01 C ATOM 724 C MET A 392 -2.243 11.135 13.215 1.00 44.44 C ATOM 725 O MET A 392 -2.078 11.086 11.997 1.00 63.14 O ATOM 726 CB MET A 392 -3.427 9.490 14.675 1.00 72.41 C ATOM 727 CG MET A 392 -2.773 8.370 13.862 1.00 13.31 C ATOM 728 SD MET A 392 -2.880 6.827 14.753 1.00 43.04 S ATOM 729 CE MET A 392 -4.652 6.670 14.890 1.00 55.01 C ATOM 0 H MET A 392 -4.226 10.525 11.849 1.00 50.54 H new ATOM 0 HA MET A 392 -3.926 11.581 14.460 1.00 72.01 H new ATOM 0 HB2 MET A 392 -2.819 9.709 15.553 1.00 72.41 H new ATOM 0 HB3 MET A 392 -4.402 9.161 15.036 1.00 72.41 H new ATOM 0 HG2 MET A 392 -3.266 8.276 12.895 1.00 13.31 H new ATOM 0 HG3 MET A 392 -1.729 8.614 13.665 1.00 13.31 H new ATOM 0 HE1 MET A 392 -4.895 5.770 15.456 1.00 55.01 H new ATOM 0 HE2 MET A 392 -5.056 7.542 15.404 1.00 55.01 H new ATOM 0 HE3 MET A 392 -5.089 6.601 13.894 1.00 55.01 H new ATOM 739 N CYS A 393 -1.313 11.506 14.083 1.00 33.12 N ATOM 740 CA CYS A 393 0.015 11.894 13.639 1.00 73.44 C ATOM 741 C CYS A 393 0.907 10.651 13.649 1.00 32.24 C ATOM 742 O CYS A 393 1.170 10.081 14.707 1.00 23.30 O ATOM 743 CB CYS A 393 0.593 13.019 14.499 1.00 61.11 C ATOM 744 SG CYS A 393 0.404 12.780 16.303 1.00 24.33 S ATOM 0 H CYS A 393 -1.453 11.546 15.093 1.00 33.12 H new ATOM 0 HA CYS A 393 -0.039 12.292 12.626 1.00 73.44 H new ATOM 0 HB2 CYS A 393 1.653 13.124 14.270 1.00 61.11 H new ATOM 0 HB3 CYS A 393 0.112 13.956 14.218 1.00 61.11 H new ATOM 749 N THR A 394 1.347 10.267 12.460 1.00 3.32 N ATOM 750 CA THR A 394 2.204 9.102 12.320 1.00 44.35 C ATOM 751 C THR A 394 3.344 9.153 13.339 1.00 62.23 C ATOM 752 O THR A 394 3.503 8.236 14.143 1.00 3.24 O ATOM 753 CB THR A 394 2.688 9.044 10.869 1.00 21.33 C ATOM 754 OG1 THR A 394 1.492 9.133 10.100 1.00 13.24 O ATOM 755 CG2 THR A 394 3.267 7.676 10.500 1.00 51.31 C ATOM 0 H THR A 394 1.126 10.742 11.585 1.00 3.32 H new ATOM 0 HA THR A 394 1.660 8.182 12.534 1.00 44.35 H new ATOM 0 HB THR A 394 3.442 9.814 10.707 1.00 21.33 H new ATOM 0 HG1 THR A 394 1.714 9.105 9.146 1.00 13.24 H new ATOM 0 HG21 THR A 394 3.595 7.688 9.461 1.00 51.31 H new ATOM 0 HG22 THR A 394 4.116 7.454 11.146 1.00 51.31 H new ATOM 0 HG23 THR A 394 2.502 6.910 10.630 1.00 51.31 H new ATOM 763 N SER A 395 4.108 10.233 13.271 1.00 2.22 N ATOM 764 CA SER A 395 5.229 10.415 14.178 1.00 12.21 C ATOM 765 C SER A 395 4.804 10.077 15.609 1.00 44.53 C ATOM 766 O SER A 395 5.635 9.700 16.434 1.00 71.44 O ATOM 767 CB SER A 395 5.767 11.846 14.108 1.00 63.41 C ATOM 768 OG SER A 395 7.140 11.918 14.483 1.00 42.12 O ATOM 0 H SER A 395 3.973 10.991 12.602 1.00 2.22 H new ATOM 0 HA SER A 395 6.029 9.740 13.874 1.00 12.21 H new ATOM 0 HB2 SER A 395 5.647 12.229 13.095 1.00 63.41 H new ATOM 0 HB3 SER A 395 5.178 12.488 14.763 1.00 63.41 H new ATOM 0 HG SER A 395 7.447 12.847 14.424 1.00 42.12 H new ATOM 774 N CYS A 396 3.512 10.226 15.859 1.00 32.20 N ATOM 775 CA CYS A 396 2.967 9.941 17.176 1.00 50.23 C ATOM 776 C CYS A 396 2.598 8.458 17.232 1.00 31.44 C ATOM 777 O CYS A 396 2.839 7.792 18.239 1.00 54.44 O ATOM 778 CB CYS A 396 1.772 10.840 17.499 1.00 35.44 C ATOM 779 SG CYS A 396 1.863 12.524 16.790 1.00 1.01 S ATOM 0 H CYS A 396 2.826 10.540 15.172 1.00 32.20 H new ATOM 0 HA CYS A 396 3.716 10.156 17.938 1.00 50.23 H new ATOM 0 HB2 CYS A 396 0.864 10.357 17.137 1.00 35.44 H new ATOM 0 HB3 CYS A 396 1.679 10.922 18.582 1.00 35.44 H new ATOM 784 N LEU A 397 2.019 7.982 16.139 1.00 4.33 N ATOM 785 CA LEU A 397 1.615 6.589 16.052 1.00 53.51 C ATOM 786 C LEU A 397 2.797 5.695 16.431 1.00 74.30 C ATOM 787 O LEU A 397 2.641 4.749 17.201 1.00 24.45 O ATOM 788 CB LEU A 397 1.032 6.286 14.670 1.00 43.40 C ATOM 789 CG LEU A 397 0.404 4.902 14.496 1.00 53.31 C ATOM 790 CD1 LEU A 397 -0.155 4.728 13.082 1.00 21.23 C ATOM 791 CD2 LEU A 397 1.399 3.798 14.859 1.00 12.53 C ATOM 0 H LEU A 397 1.820 8.536 15.306 1.00 4.33 H new ATOM 0 HA LEU A 397 0.816 6.379 16.763 1.00 53.51 H new ATOM 0 HB2 LEU A 397 0.275 7.037 14.444 1.00 43.40 H new ATOM 0 HB3 LEU A 397 1.825 6.399 13.930 1.00 43.40 H new ATOM 0 HG LEU A 397 -0.435 4.818 15.187 1.00 53.31 H new ATOM 0 HD11 LEU A 397 -0.596 3.736 12.985 1.00 21.23 H new ATOM 0 HD12 LEU A 397 -0.918 5.484 12.897 1.00 21.23 H new ATOM 0 HD13 LEU A 397 0.650 4.840 12.356 1.00 21.23 H new ATOM 0 HD21 LEU A 397 0.927 2.825 14.726 1.00 12.53 H new ATOM 0 HD22 LEU A 397 2.273 3.869 14.211 1.00 12.53 H new ATOM 0 HD23 LEU A 397 1.707 3.913 15.898 1.00 12.53 H new ATOM 803 N THR A 398 3.951 6.026 15.872 1.00 63.31 N ATOM 804 CA THR A 398 5.159 5.264 16.142 1.00 71.04 C ATOM 805 C THR A 398 5.397 5.157 17.649 1.00 14.42 C ATOM 806 O THR A 398 5.871 4.132 18.136 1.00 41.15 O ATOM 807 CB THR A 398 6.314 5.928 15.390 1.00 63.43 C ATOM 808 OG1 THR A 398 6.402 5.194 14.171 1.00 25.13 O ATOM 809 CG2 THR A 398 7.666 5.690 16.066 1.00 1.50 C ATOM 0 H THR A 398 4.076 6.811 15.233 1.00 63.31 H new ATOM 0 HA THR A 398 5.067 4.238 15.786 1.00 71.04 H new ATOM 0 HB THR A 398 6.129 7.000 15.314 1.00 63.43 H new ATOM 0 HG1 THR A 398 7.126 5.559 13.621 1.00 25.13 H new ATOM 0 HG21 THR A 398 8.451 6.182 15.492 1.00 1.50 H new ATOM 0 HG22 THR A 398 7.645 6.098 17.076 1.00 1.50 H new ATOM 0 HG23 THR A 398 7.867 4.620 16.112 1.00 1.50 H new ATOM 817 N ALA A 399 5.056 6.231 18.347 1.00 72.11 N ATOM 818 CA ALA A 399 5.226 6.271 19.789 1.00 2.14 C ATOM 819 C ALA A 399 4.361 5.185 20.431 1.00 32.23 C ATOM 820 O ALA A 399 4.685 4.682 21.506 1.00 65.22 O ATOM 821 CB ALA A 399 4.884 7.670 20.305 1.00 14.13 C ATOM 0 H ALA A 399 4.663 7.080 17.940 1.00 72.11 H new ATOM 0 HA ALA A 399 6.263 6.069 20.059 1.00 2.14 H new ATOM 0 HB1 ALA A 399 5.012 7.700 21.387 1.00 14.13 H new ATOM 0 HB2 ALA A 399 5.546 8.401 19.841 1.00 14.13 H new ATOM 0 HB3 ALA A 399 3.850 7.907 20.055 1.00 14.13 H new ATOM 827 N TRP A 400 3.276 4.855 19.746 1.00 42.05 N ATOM 828 CA TRP A 400 2.362 3.838 20.235 1.00 33.43 C ATOM 829 C TRP A 400 2.963 2.468 19.915 1.00 60.31 C ATOM 830 O TRP A 400 3.094 1.621 20.798 1.00 41.40 O ATOM 831 CB TRP A 400 0.963 4.029 19.647 1.00 74.25 C ATOM 832 CG TRP A 400 0.183 2.726 19.458 1.00 22.24 C ATOM 833 CD1 TRP A 400 -0.134 2.112 18.310 1.00 42.52 C ATOM 834 CD2 TRP A 400 -0.368 1.895 20.502 1.00 11.31 C ATOM 835 NE1 TRP A 400 -0.846 0.952 18.536 1.00 53.32 N ATOM 836 CE2 TRP A 400 -0.993 0.816 19.911 1.00 11.14 C ATOM 837 CE3 TRP A 400 -0.339 2.051 21.899 1.00 34.21 C ATOM 838 CZ2 TRP A 400 -1.636 -0.191 20.641 1.00 54.11 C ATOM 839 CZ3 TRP A 400 -0.987 1.036 22.614 1.00 61.00 C ATOM 840 CH2 TRP A 400 -1.621 -0.057 22.034 1.00 2.23 C ATOM 0 H TRP A 400 3.010 5.275 18.855 1.00 42.05 H new ATOM 0 HA TRP A 400 2.237 3.920 21.315 1.00 33.43 H new ATOM 0 HB2 TRP A 400 0.393 4.690 20.300 1.00 74.25 H new ATOM 0 HB3 TRP A 400 1.051 4.531 18.683 1.00 74.25 H new ATOM 0 HD1 TRP A 400 0.134 2.479 17.330 1.00 42.52 H new ATOM 0 HE1 TRP A 400 -1.199 0.312 17.825 1.00 53.32 H new ATOM 0 HE3 TRP A 400 0.145 2.887 22.382 1.00 34.21 H new ATOM 0 HZ2 TRP A 400 -2.118 -1.027 20.155 1.00 54.11 H new ATOM 0 HZ3 TRP A 400 -0.995 1.107 23.692 1.00 61.00 H new ATOM 0 HH2 TRP A 400 -2.100 -0.799 22.656 1.00 2.23 H new ATOM 851 N GLN A 401 3.313 2.292 18.649 1.00 34.21 N ATOM 852 CA GLN A 401 3.897 1.039 18.201 1.00 11.12 C ATOM 853 C GLN A 401 5.234 0.796 18.903 1.00 4.23 C ATOM 854 O GLN A 401 5.805 -0.289 18.802 1.00 51.23 O ATOM 855 CB GLN A 401 4.065 1.025 16.681 1.00 44.43 C ATOM 856 CG GLN A 401 2.710 1.129 15.978 1.00 43.22 C ATOM 857 CD GLN A 401 2.277 -0.228 15.419 1.00 10.34 C ATOM 858 OE1 GLN A 401 2.998 -1.210 15.475 1.00 25.00 O ATOM 859 NE2 GLN A 401 1.061 -0.227 14.880 1.00 65.45 N ATOM 0 H GLN A 401 3.203 2.996 17.919 1.00 34.21 H new ATOM 0 HA GLN A 401 3.218 0.229 18.466 1.00 11.12 H new ATOM 0 HB2 GLN A 401 4.702 1.854 16.374 1.00 44.43 H new ATOM 0 HB3 GLN A 401 4.568 0.107 16.376 1.00 44.43 H new ATOM 0 HG2 GLN A 401 1.959 1.494 16.679 1.00 43.22 H new ATOM 0 HG3 GLN A 401 2.771 1.857 15.169 1.00 43.22 H new ATOM 0 HE21 GLN A 401 0.510 0.631 14.866 1.00 65.45 H new ATOM 0 HE22 GLN A 401 0.680 -1.084 14.481 1.00 65.45 H new ATOM 868 N GLU A 402 5.696 1.824 19.600 1.00 50.30 N ATOM 869 CA GLU A 402 6.956 1.736 20.319 1.00 53.23 C ATOM 870 C GLU A 402 7.128 0.340 20.919 1.00 34.44 C ATOM 871 O GLU A 402 8.045 -0.391 20.548 1.00 10.04 O ATOM 872 CB GLU A 402 7.046 2.814 21.401 1.00 31.43 C ATOM 873 CG GLU A 402 7.621 4.113 20.835 1.00 54.42 C ATOM 874 CD GLU A 402 9.149 4.114 20.907 1.00 50.42 C ATOM 875 OE1 GLU A 402 9.785 5.124 20.568 1.00 31.51 O ATOM 876 OE2 GLU A 402 9.675 3.017 21.334 1.00 23.12 O ATOM 0 H GLU A 402 5.220 2.722 19.682 1.00 50.30 H new ATOM 0 HA GLU A 402 7.768 1.909 19.613 1.00 53.23 H new ATOM 0 HB2 GLU A 402 6.056 3.001 21.816 1.00 31.43 H new ATOM 0 HB3 GLU A 402 7.673 2.461 22.220 1.00 31.43 H new ATOM 0 HG2 GLU A 402 7.302 4.235 19.800 1.00 54.42 H new ATOM 0 HG3 GLU A 402 7.227 4.963 21.392 1.00 54.42 H new ATOM 884 N SER A 403 6.231 0.011 21.837 1.00 34.43 N ATOM 885 CA SER A 403 6.272 -1.286 22.493 1.00 55.51 C ATOM 886 C SER A 403 4.938 -2.010 22.303 1.00 74.41 C ATOM 887 O SER A 403 4.881 -3.238 22.356 1.00 10.01 O ATOM 888 CB SER A 403 6.589 -1.139 23.982 1.00 33.45 C ATOM 889 OG SER A 403 7.022 -2.368 24.559 1.00 65.30 O ATOM 0 H SER A 403 5.472 0.620 22.142 1.00 34.43 H new ATOM 0 HA SER A 403 7.067 -1.876 22.036 1.00 55.51 H new ATOM 0 HB2 SER A 403 7.363 -0.383 24.115 1.00 33.45 H new ATOM 0 HB3 SER A 403 5.703 -0.784 24.508 1.00 33.45 H new ATOM 0 HG SER A 403 7.216 -2.232 25.510 1.00 65.30 H new ATOM 895 N ASP A 404 3.897 -1.220 22.085 1.00 11.13 N ATOM 896 CA ASP A 404 2.567 -1.771 21.887 1.00 0.11 C ATOM 897 C ASP A 404 2.421 -2.230 20.435 1.00 41.32 C ATOM 898 O ASP A 404 2.723 -3.377 20.109 1.00 10.21 O ATOM 899 CB ASP A 404 1.489 -0.720 22.162 1.00 61.54 C ATOM 900 CG ASP A 404 0.900 -0.753 23.573 1.00 14.51 C ATOM 901 OD1 ASP A 404 0.106 -1.642 23.914 1.00 74.04 O ATOM 902 OD2 ASP A 404 1.292 0.200 24.350 1.00 62.14 O ATOM 0 H ASP A 404 3.948 -0.202 22.041 1.00 11.13 H new ATOM 0 HA ASP A 404 2.441 -2.605 22.577 1.00 0.11 H new ATOM 0 HB2 ASP A 404 1.913 0.268 21.984 1.00 61.54 H new ATOM 0 HB3 ASP A 404 0.680 -0.854 21.444 1.00 61.54 H new ATOM 908 N GLY A 405 1.958 -1.310 19.601 1.00 62.11 N ATOM 909 CA GLY A 405 1.768 -1.606 18.191 1.00 45.20 C ATOM 910 C GLY A 405 0.642 -2.622 17.990 1.00 11.55 C ATOM 911 O GLY A 405 0.688 -3.430 17.065 1.00 70.32 O ATOM 0 H GLY A 405 1.709 -0.359 19.875 1.00 62.11 H new ATOM 0 HA2 GLY A 405 1.535 -0.688 17.651 1.00 45.20 H new ATOM 0 HA3 GLY A 405 2.694 -1.997 17.770 1.00 45.20 H new ATOM 915 N GLN A 406 -0.343 -2.547 18.873 1.00 13.52 N ATOM 916 CA GLN A 406 -1.480 -3.449 18.805 1.00 63.42 C ATOM 917 C GLN A 406 -2.601 -2.829 17.969 1.00 11.21 C ATOM 918 O GLN A 406 -3.665 -2.504 18.495 1.00 44.43 O ATOM 919 CB GLN A 406 -1.977 -3.813 20.205 1.00 5.45 C ATOM 920 CG GLN A 406 -1.332 -5.111 20.696 1.00 12.54 C ATOM 921 CD GLN A 406 -2.210 -6.319 20.364 1.00 51.45 C ATOM 922 OE1 GLN A 406 -3.222 -6.216 19.689 1.00 65.42 O ATOM 923 NE2 GLN A 406 -1.769 -7.465 20.873 1.00 65.12 N ATOM 0 H GLN A 406 -0.377 -1.875 19.640 1.00 13.52 H new ATOM 0 HA GLN A 406 -1.158 -4.370 18.319 1.00 63.42 H new ATOM 0 HB2 GLN A 406 -1.747 -3.004 20.898 1.00 5.45 H new ATOM 0 HB3 GLN A 406 -3.061 -3.924 20.192 1.00 5.45 H new ATOM 0 HG2 GLN A 406 -0.352 -5.231 20.235 1.00 12.54 H new ATOM 0 HG3 GLN A 406 -1.173 -5.058 21.773 1.00 12.54 H new ATOM 0 HE21 GLN A 406 -0.914 -7.481 21.429 1.00 65.12 H new ATOM 0 HE22 GLN A 406 -2.285 -8.329 20.707 1.00 65.12 H new ATOM 932 N GLY A 407 -2.325 -2.683 16.681 1.00 30.35 N ATOM 933 CA GLY A 407 -3.297 -2.107 15.768 1.00 33.40 C ATOM 934 C GLY A 407 -3.484 -0.613 16.036 1.00 2.35 C ATOM 935 O GLY A 407 -2.638 0.018 16.668 1.00 1.43 O ATOM 0 H GLY A 407 -1.442 -2.954 16.248 1.00 30.35 H new ATOM 0 HA2 GLY A 407 -2.968 -2.257 14.740 1.00 33.40 H new ATOM 0 HA3 GLY A 407 -4.252 -2.622 15.876 1.00 33.40 H new ATOM 939 N CYS A 408 -4.597 -0.090 15.543 1.00 44.30 N ATOM 940 CA CYS A 408 -4.905 1.319 15.722 1.00 62.04 C ATOM 941 C CYS A 408 -5.049 1.593 17.220 1.00 62.10 C ATOM 942 O CYS A 408 -5.760 0.874 17.921 1.00 42.25 O ATOM 943 CB CYS A 408 -6.158 1.727 14.944 1.00 64.12 C ATOM 944 SG CYS A 408 -6.324 3.525 14.645 1.00 31.34 S ATOM 0 H CYS A 408 -5.297 -0.616 15.020 1.00 44.30 H new ATOM 0 HA CYS A 408 -4.094 1.925 15.319 1.00 62.04 H new ATOM 0 HB2 CYS A 408 -6.156 1.212 13.983 1.00 64.12 H new ATOM 0 HB3 CYS A 408 -7.036 1.381 15.489 1.00 64.12 H new ATOM 949 N PRO A 409 -4.344 2.662 17.679 1.00 34.22 N ATOM 950 CA PRO A 409 -4.387 3.040 19.082 1.00 61.45 C ATOM 951 C PRO A 409 -5.713 3.721 19.426 1.00 44.52 C ATOM 952 O PRO A 409 -5.947 4.085 20.577 1.00 11.22 O ATOM 953 CB PRO A 409 -3.183 3.946 19.281 1.00 32.15 C ATOM 954 CG PRO A 409 -2.780 4.415 17.893 1.00 4.21 C ATOM 955 CD PRO A 409 -3.492 3.536 16.879 1.00 61.25 C ATOM 0 HA PRO A 409 -4.338 2.181 19.752 1.00 61.45 H new ATOM 0 HB2 PRO A 409 -3.432 4.792 19.922 1.00 32.15 H new ATOM 0 HB3 PRO A 409 -2.366 3.410 19.764 1.00 32.15 H new ATOM 0 HG2 PRO A 409 -3.052 5.461 17.749 1.00 4.21 H new ATOM 0 HG3 PRO A 409 -1.700 4.346 17.766 1.00 4.21 H new ATOM 0 HD2 PRO A 409 -4.080 4.133 16.182 1.00 61.25 H new ATOM 0 HD3 PRO A 409 -2.781 2.961 16.285 1.00 61.25 H new ATOM 963 N PHE A 410 -6.545 3.874 18.406 1.00 10.14 N ATOM 964 CA PHE A 410 -7.841 4.506 18.587 1.00 72.34 C ATOM 965 C PHE A 410 -8.936 3.459 18.801 1.00 72.21 C ATOM 966 O PHE A 410 -9.815 3.638 19.643 1.00 51.04 O ATOM 967 CB PHE A 410 -8.141 5.285 17.305 1.00 50.04 C ATOM 968 CG PHE A 410 -7.554 6.698 17.284 1.00 61.24 C ATOM 969 CD1 PHE A 410 -6.292 6.917 17.741 1.00 62.42 C ATOM 970 CD2 PHE A 410 -8.294 7.735 16.808 1.00 71.23 C ATOM 971 CE1 PHE A 410 -5.747 8.228 17.721 1.00 20.33 C ATOM 972 CE2 PHE A 410 -7.749 9.046 16.788 1.00 32.13 C ATOM 973 CZ PHE A 410 -6.487 9.265 17.245 1.00 31.35 C ATOM 0 H PHE A 410 -6.347 3.571 17.452 1.00 10.14 H new ATOM 0 HA PHE A 410 -7.820 5.155 19.462 1.00 72.34 H new ATOM 0 HB2 PHE A 410 -7.751 4.728 16.454 1.00 50.04 H new ATOM 0 HB3 PHE A 410 -9.221 5.349 17.175 1.00 50.04 H new ATOM 0 HD1 PHE A 410 -5.704 6.094 18.119 1.00 62.42 H new ATOM 0 HD2 PHE A 410 -9.296 7.561 16.445 1.00 71.23 H new ATOM 0 HE1 PHE A 410 -4.745 8.402 18.084 1.00 20.33 H new ATOM 0 HE2 PHE A 410 -8.337 9.869 16.410 1.00 32.13 H new ATOM 0 HZ PHE A 410 -6.073 10.262 17.230 1.00 31.35 H new ATOM 983 N CYS A 411 -8.847 2.389 18.025 1.00 75.23 N ATOM 984 CA CYS A 411 -9.820 1.313 18.119 1.00 2.10 C ATOM 985 C CYS A 411 -9.122 0.085 18.706 1.00 62.32 C ATOM 986 O CYS A 411 -9.695 -1.003 18.738 1.00 70.21 O ATOM 987 CB CYS A 411 -10.463 1.011 16.764 1.00 44.32 C ATOM 988 SG CYS A 411 -9.601 1.744 15.325 1.00 3.14 S ATOM 0 H CYS A 411 -8.116 2.244 17.328 1.00 75.23 H new ATOM 0 HA CYS A 411 -10.637 1.614 18.775 1.00 2.10 H new ATOM 0 HB2 CYS A 411 -10.507 -0.070 16.631 1.00 44.32 H new ATOM 0 HB3 CYS A 411 -11.491 1.373 16.777 1.00 44.32 H new ATOM 993 N ARG A 412 -7.894 0.300 19.156 1.00 72.45 N ATOM 994 CA ARG A 412 -7.112 -0.777 19.740 1.00 40.35 C ATOM 995 C ARG A 412 -7.349 -2.081 18.975 1.00 51.51 C ATOM 996 O ARG A 412 -7.283 -3.164 19.553 1.00 23.21 O ATOM 997 CB ARG A 412 -7.473 -0.984 21.212 1.00 52.13 C ATOM 998 CG ARG A 412 -6.384 -1.777 21.937 1.00 11.21 C ATOM 999 CD ARG A 412 -5.061 -1.008 21.947 1.00 30.51 C ATOM 1000 NE ARG A 412 -4.293 -1.340 23.168 1.00 43.42 N ATOM 1001 CZ ARG A 412 -3.759 -2.554 23.420 1.00 14.25 C ATOM 1002 NH1 ARG A 412 -3.907 -3.564 22.537 1.00 21.14 N ATOM 1003 NH2 ARG A 412 -3.092 -2.738 24.544 1.00 24.31 N ATOM 0 H ARG A 412 -7.422 1.204 19.128 1.00 72.45 H new ATOM 0 HA ARG A 412 -6.061 -0.498 19.671 1.00 40.35 H new ATOM 0 HB2 ARG A 412 -7.607 -0.017 21.697 1.00 52.13 H new ATOM 0 HB3 ARG A 412 -8.423 -1.513 21.286 1.00 52.13 H new ATOM 0 HG2 ARG A 412 -6.698 -1.981 22.961 1.00 11.21 H new ATOM 0 HG3 ARG A 412 -6.245 -2.741 21.448 1.00 11.21 H new ATOM 0 HD2 ARG A 412 -4.478 -1.259 21.061 1.00 30.51 H new ATOM 0 HD3 ARG A 412 -5.254 0.064 21.909 1.00 30.51 H new ATOM 0 HE ARG A 412 -4.159 -0.605 23.863 1.00 43.42 H new ATOM 0 HH11 ARG A 412 -4.425 -3.413 21.672 1.00 21.14 H new ATOM 0 HH12 ARG A 412 -3.500 -4.478 22.735 1.00 21.14 H new ATOM 0 HH21 ARG A 412 -2.987 -1.969 25.206 1.00 24.31 H new ATOM 0 HH22 ARG A 412 -2.682 -3.649 24.750 1.00 24.31 H new ATOM 1016 N CYS A 413 -7.621 -1.933 17.687 1.00 44.34 N ATOM 1017 CA CYS A 413 -7.868 -3.085 16.837 1.00 61.21 C ATOM 1018 C CYS A 413 -6.952 -2.987 15.616 1.00 64.13 C ATOM 1019 O CYS A 413 -6.589 -1.890 15.194 1.00 70.02 O ATOM 1020 CB CYS A 413 -9.341 -3.188 16.438 1.00 75.00 C ATOM 1021 SG CYS A 413 -9.621 -4.712 15.464 1.00 51.54 S ATOM 0 H CYS A 413 -7.676 -1.032 17.211 1.00 44.34 H new ATOM 0 HA CYS A 413 -7.643 -3.999 17.386 1.00 61.21 H new ATOM 0 HB2 CYS A 413 -9.968 -3.196 17.330 1.00 75.00 H new ATOM 0 HB3 CYS A 413 -9.630 -2.315 15.853 1.00 75.00 H new ATOM 0 HG CYS A 413 -10.876 -4.791 15.132 1.00 51.54 H new ATOM 1027 N GLU A 414 -6.603 -4.149 15.082 1.00 13.32 N ATOM 1028 CA GLU A 414 -5.736 -4.208 13.918 1.00 51.43 C ATOM 1029 C GLU A 414 -6.249 -3.267 12.826 1.00 75.15 C ATOM 1030 O GLU A 414 -7.449 -3.012 12.735 1.00 53.13 O ATOM 1031 CB GLU A 414 -5.616 -5.641 13.395 1.00 1.54 C ATOM 1032 CG GLU A 414 -4.435 -5.776 12.433 1.00 45.04 C ATOM 1033 CD GLU A 414 -4.342 -7.198 11.875 1.00 5.15 C ATOM 1034 OE1 GLU A 414 -3.618 -8.036 12.433 1.00 22.23 O ATOM 1035 OE2 GLU A 414 -5.056 -7.420 10.825 1.00 52.43 O ATOM 0 H GLU A 414 -6.905 -5.057 15.435 1.00 13.32 H new ATOM 0 HA GLU A 414 -4.740 -3.880 14.215 1.00 51.43 H new ATOM 0 HB2 GLU A 414 -5.488 -6.328 14.232 1.00 1.54 H new ATOM 0 HB3 GLU A 414 -6.538 -5.925 12.887 1.00 1.54 H new ATOM 0 HG2 GLU A 414 -4.546 -5.066 11.613 1.00 45.04 H new ATOM 0 HG3 GLU A 414 -3.509 -5.523 12.950 1.00 45.04 H new ATOM 1043 N ILE A 415 -5.315 -2.777 12.024 1.00 73.33 N ATOM 1044 CA ILE A 415 -5.658 -1.871 10.941 1.00 13.33 C ATOM 1045 C ILE A 415 -5.720 -2.652 9.627 1.00 32.24 C ATOM 1046 O ILE A 415 -5.021 -3.650 9.461 1.00 25.11 O ATOM 1047 CB ILE A 415 -4.690 -0.686 10.907 1.00 33.34 C ATOM 1048 CG1 ILE A 415 -4.180 -0.355 12.311 1.00 12.33 C ATOM 1049 CG2 ILE A 415 -5.331 0.526 10.229 1.00 11.30 C ATOM 1050 CD1 ILE A 415 -3.147 0.773 12.267 1.00 22.30 C ATOM 0 H ILE A 415 -4.321 -2.990 12.103 1.00 73.33 H new ATOM 0 HA ILE A 415 -6.647 -1.441 11.103 1.00 13.33 H new ATOM 0 HB ILE A 415 -3.824 -0.969 10.308 1.00 33.34 H new ATOM 0 HG12 ILE A 415 -5.016 -0.063 12.946 1.00 12.33 H new ATOM 0 HG13 ILE A 415 -3.735 -1.243 12.759 1.00 12.33 H new ATOM 0 HG21 ILE A 415 -4.622 1.354 10.218 1.00 11.30 H new ATOM 0 HG22 ILE A 415 -5.604 0.268 9.206 1.00 11.30 H new ATOM 0 HG23 ILE A 415 -6.224 0.821 10.779 1.00 11.30 H new ATOM 0 HD11 ILE A 415 -2.801 0.989 13.278 1.00 22.30 H new ATOM 0 HD12 ILE A 415 -2.301 0.468 11.651 1.00 22.30 H new ATOM 0 HD13 ILE A 415 -3.602 1.667 11.841 1.00 22.30 H new ATOM 1062 N LYS A 416 -6.564 -2.169 8.728 1.00 51.14 N ATOM 1063 CA LYS A 416 -6.726 -2.810 7.434 1.00 54.23 C ATOM 1064 C LYS A 416 -6.140 -1.908 6.346 1.00 51.14 C ATOM 1065 O LYS A 416 -5.418 -2.378 5.467 1.00 14.43 O ATOM 1066 CB LYS A 416 -8.192 -3.182 7.200 1.00 20.12 C ATOM 1067 CG LYS A 416 -8.889 -3.520 8.520 1.00 64.42 C ATOM 1068 CD LYS A 416 -8.258 -4.752 9.173 1.00 42.12 C ATOM 1069 CE LYS A 416 -9.249 -5.443 10.112 1.00 42.32 C ATOM 1070 NZ LYS A 416 -8.529 -6.180 11.174 1.00 5.20 N ATOM 0 H LYS A 416 -7.143 -1.341 8.870 1.00 51.14 H new ATOM 0 HA LYS A 416 -6.174 -3.749 7.402 1.00 54.23 H new ATOM 0 HB2 LYS A 416 -8.708 -2.354 6.714 1.00 20.12 H new ATOM 0 HB3 LYS A 416 -8.251 -4.035 6.524 1.00 20.12 H new ATOM 0 HG2 LYS A 416 -8.822 -2.670 9.199 1.00 64.42 H new ATOM 0 HG3 LYS A 416 -9.949 -3.702 8.340 1.00 64.42 H new ATOM 0 HD2 LYS A 416 -7.934 -5.451 8.402 1.00 42.12 H new ATOM 0 HD3 LYS A 416 -7.369 -4.457 9.730 1.00 42.12 H new ATOM 0 HE2 LYS A 416 -9.911 -4.702 10.560 1.00 42.32 H new ATOM 0 HE3 LYS A 416 -9.877 -6.131 9.545 1.00 42.32 H new ATOM 0 HZ1 LYS A 416 -9.032 -7.066 11.384 1.00 5.20 H new ATOM 0 HZ2 LYS A 416 -7.564 -6.398 10.852 1.00 5.20 H new ATOM 0 HZ3 LYS A 416 -8.484 -5.595 12.033 1.00 5.20 H new ATOM 1083 N GLY A 417 -6.472 -0.629 6.440 1.00 53.24 N ATOM 1084 CA GLY A 417 -5.988 0.343 5.474 1.00 2.12 C ATOM 1085 C GLY A 417 -5.357 1.547 6.177 1.00 24.42 C ATOM 1086 O GLY A 417 -5.914 2.069 7.141 1.00 1.51 O ATOM 0 H GLY A 417 -7.070 -0.243 7.170 1.00 53.24 H new ATOM 0 HA2 GLY A 417 -5.254 -0.125 4.818 1.00 2.12 H new ATOM 0 HA3 GLY A 417 -6.812 0.676 4.844 1.00 2.12 H new ATOM 1090 N THR A 418 -4.202 1.951 5.667 1.00 35.15 N ATOM 1091 CA THR A 418 -3.490 3.083 6.234 1.00 5.05 C ATOM 1092 C THR A 418 -2.634 3.765 5.165 1.00 73.44 C ATOM 1093 O THR A 418 -1.885 3.102 4.449 1.00 41.13 O ATOM 1094 CB THR A 418 -2.679 2.580 7.431 1.00 53.41 C ATOM 1095 OG1 THR A 418 -1.783 1.626 6.867 1.00 14.24 O ATOM 1096 CG2 THR A 418 -3.526 1.764 8.410 1.00 64.01 C ATOM 0 H THR A 418 -3.742 1.514 4.868 1.00 35.15 H new ATOM 0 HA THR A 418 -4.182 3.847 6.589 1.00 5.05 H new ATOM 0 HB THR A 418 -2.238 3.429 7.953 1.00 53.41 H new ATOM 0 HG1 THR A 418 -1.667 1.811 5.912 1.00 14.24 H new ATOM 0 HG21 THR A 418 -2.903 1.431 9.240 1.00 64.01 H new ATOM 0 HG22 THR A 418 -4.339 2.382 8.791 1.00 64.01 H new ATOM 0 HG23 THR A 418 -3.940 0.896 7.897 1.00 64.01 H new ATOM 1104 N GLU A 419 -2.775 5.080 5.090 1.00 62.14 N ATOM 1105 CA GLU A 419 -2.024 5.859 4.119 1.00 34.32 C ATOM 1106 C GLU A 419 -1.937 7.320 4.565 1.00 62.24 C ATOM 1107 O GLU A 419 -2.805 7.805 5.288 1.00 30.03 O ATOM 1108 CB GLU A 419 -2.648 5.747 2.726 1.00 25.44 C ATOM 1109 CG GLU A 419 -4.097 6.235 2.733 1.00 14.44 C ATOM 1110 CD GLU A 419 -5.038 5.155 3.272 1.00 44.12 C ATOM 1111 OE1 GLU A 419 -5.900 5.447 4.114 1.00 43.11 O ATOM 1112 OE2 GLU A 419 -4.850 3.976 2.784 1.00 65.14 O ATOM 0 H GLU A 419 -3.398 5.626 5.685 1.00 62.14 H new ATOM 0 HA GLU A 419 -1.013 5.456 4.062 1.00 34.32 H new ATOM 0 HB2 GLU A 419 -2.066 6.334 2.015 1.00 25.44 H new ATOM 0 HB3 GLU A 419 -2.611 4.711 2.390 1.00 25.44 H new ATOM 0 HG2 GLU A 419 -4.179 7.133 3.346 1.00 14.44 H new ATOM 0 HG3 GLU A 419 -4.396 6.511 1.722 1.00 14.44 H new ATOM 1120 N PRO A 420 -0.853 7.998 4.102 1.00 65.22 N ATOM 1121 CA PRO A 420 -0.640 9.394 4.445 1.00 72.42 C ATOM 1122 C PRO A 420 -1.587 10.302 3.658 1.00 73.10 C ATOM 1123 O PRO A 420 -1.363 10.566 2.478 1.00 65.52 O ATOM 1124 CB PRO A 420 0.825 9.656 4.138 1.00 23.43 C ATOM 1125 CG PRO A 420 1.262 8.539 3.204 1.00 31.44 C ATOM 1126 CD PRO A 420 0.196 7.456 3.243 1.00 62.42 C ATOM 0 HA PRO A 420 -0.858 9.608 5.491 1.00 72.42 H new ATOM 0 HB2 PRO A 420 0.957 10.631 3.669 1.00 23.43 H new ATOM 0 HB3 PRO A 420 1.421 9.657 5.051 1.00 23.43 H new ATOM 0 HG2 PRO A 420 1.386 8.916 2.189 1.00 31.44 H new ATOM 0 HG3 PRO A 420 2.226 8.137 3.514 1.00 31.44 H new ATOM 0 HD2 PRO A 420 -0.183 7.238 2.245 1.00 62.42 H new ATOM 0 HD3 PRO A 420 0.593 6.524 3.644 1.00 62.42 H new ATOM 1134 N ILE A 421 -2.626 10.756 4.344 1.00 73.55 N ATOM 1135 CA ILE A 421 -3.608 11.629 3.724 1.00 73.14 C ATOM 1136 C ILE A 421 -3.378 13.065 4.197 1.00 45.54 C ATOM 1137 O ILE A 421 -2.627 13.298 5.143 1.00 44.35 O ATOM 1138 CB ILE A 421 -5.025 11.115 3.988 1.00 60.45 C ATOM 1139 CG1 ILE A 421 -5.508 11.527 5.380 1.00 44.34 C ATOM 1140 CG2 ILE A 421 -5.107 9.601 3.778 1.00 42.32 C ATOM 1141 CD1 ILE A 421 -6.102 12.937 5.358 1.00 33.11 C ATOM 0 H ILE A 421 -2.809 10.536 5.323 1.00 73.55 H new ATOM 0 HA ILE A 421 -3.489 11.626 2.641 1.00 73.14 H new ATOM 0 HB ILE A 421 -5.696 11.578 3.264 1.00 60.45 H new ATOM 0 HG12 ILE A 421 -6.257 10.818 5.734 1.00 44.34 H new ATOM 0 HG13 ILE A 421 -4.676 11.490 6.084 1.00 44.34 H new ATOM 0 HG21 ILE A 421 -6.124 9.261 3.972 1.00 42.32 H new ATOM 0 HG22 ILE A 421 -4.834 9.361 2.750 1.00 42.32 H new ATOM 0 HG23 ILE A 421 -4.421 9.101 4.462 1.00 42.32 H new ATOM 0 HD11 ILE A 421 -6.438 13.206 6.359 1.00 33.11 H new ATOM 0 HD12 ILE A 421 -5.343 13.646 5.027 1.00 33.11 H new ATOM 0 HD13 ILE A 421 -6.948 12.965 4.672 1.00 33.11 H new ATOM 1153 N ILE A 422 -4.037 13.992 3.517 1.00 72.45 N ATOM 1154 CA ILE A 422 -3.913 15.399 3.855 1.00 13.22 C ATOM 1155 C ILE A 422 -5.285 15.945 4.256 1.00 11.52 C ATOM 1156 O ILE A 422 -6.169 16.092 3.414 1.00 73.03 O ATOM 1157 CB ILE A 422 -3.255 16.170 2.709 1.00 13.22 C ATOM 1158 CG1 ILE A 422 -1.735 15.996 2.732 1.00 34.34 C ATOM 1159 CG2 ILE A 422 -3.663 17.645 2.735 1.00 75.42 C ATOM 1160 CD1 ILE A 422 -1.152 16.447 4.073 1.00 32.41 C ATOM 0 H ILE A 422 -4.659 13.795 2.733 1.00 72.45 H new ATOM 0 HA ILE A 422 -3.254 15.528 4.714 1.00 13.22 H new ATOM 0 HB ILE A 422 -3.613 15.753 1.768 1.00 13.22 H new ATOM 0 HG12 ILE A 422 -1.482 14.951 2.555 1.00 34.34 H new ATOM 0 HG13 ILE A 422 -1.287 16.574 1.924 1.00 34.34 H new ATOM 0 HG21 ILE A 422 -3.182 18.170 1.910 1.00 75.42 H new ATOM 0 HG22 ILE A 422 -4.745 17.725 2.634 1.00 75.42 H new ATOM 0 HG23 ILE A 422 -3.353 18.092 3.680 1.00 75.42 H new ATOM 0 HD11 ILE A 422 -0.070 16.313 4.063 1.00 32.41 H new ATOM 0 HD12 ILE A 422 -1.386 17.499 4.236 1.00 32.41 H new ATOM 0 HD13 ILE A 422 -1.584 15.851 4.877 1.00 32.41 H new ATOM 1172 N VAL A 423 -5.419 16.232 5.543 1.00 75.13 N ATOM 1173 CA VAL A 423 -6.669 16.759 6.066 1.00 64.34 C ATOM 1174 C VAL A 423 -6.751 18.256 5.764 1.00 55.41 C ATOM 1175 O VAL A 423 -5.740 18.956 5.792 1.00 61.33 O ATOM 1176 CB VAL A 423 -6.786 16.442 7.558 1.00 52.11 C ATOM 1177 CG1 VAL A 423 -8.166 16.829 8.093 1.00 11.34 C ATOM 1178 CG2 VAL A 423 -6.486 14.967 7.831 1.00 73.23 C ATOM 0 H VAL A 423 -4.683 16.110 6.239 1.00 75.13 H new ATOM 0 HA VAL A 423 -7.519 16.282 5.579 1.00 64.34 H new ATOM 0 HB VAL A 423 -6.042 17.038 8.087 1.00 52.11 H new ATOM 0 HG11 VAL A 423 -8.223 16.593 9.156 1.00 11.34 H new ATOM 0 HG12 VAL A 423 -8.325 17.898 7.949 1.00 11.34 H new ATOM 0 HG13 VAL A 423 -8.934 16.272 7.556 1.00 11.34 H new ATOM 0 HG21 VAL A 423 -6.576 14.769 8.899 1.00 73.23 H new ATOM 0 HG22 VAL A 423 -7.195 14.344 7.285 1.00 73.23 H new ATOM 0 HG23 VAL A 423 -5.473 14.735 7.503 1.00 73.23 H new ATOM 1188 N ASP A 424 -7.966 18.705 5.483 1.00 71.44 N ATOM 1189 CA ASP A 424 -8.194 20.106 5.176 1.00 52.50 C ATOM 1190 C ASP A 424 -9.373 20.620 6.005 1.00 1.22 C ATOM 1191 O ASP A 424 -10.339 19.894 6.235 1.00 65.33 O ATOM 1192 CB ASP A 424 -8.537 20.298 3.697 1.00 13.14 C ATOM 1193 CG ASP A 424 -7.335 20.318 2.752 1.00 44.01 C ATOM 1194 OD1 ASP A 424 -6.970 19.291 2.161 1.00 70.15 O ATOM 1195 OD2 ASP A 424 -6.755 21.464 2.631 1.00 2.13 O ATOM 0 H ASP A 424 -8.803 18.122 5.462 1.00 71.44 H new ATOM 0 HA ASP A 424 -7.281 20.655 5.408 1.00 52.50 H new ATOM 0 HB2 ASP A 424 -9.209 19.497 3.389 1.00 13.14 H new ATOM 0 HB3 ASP A 424 -9.084 21.234 3.585 1.00 13.14 H new ATOM 1201 N PRO A 425 -9.252 21.902 6.443 1.00 31.04 N ATOM 1202 CA PRO A 425 -10.296 22.521 7.242 1.00 2.42 C ATOM 1203 C PRO A 425 -11.501 22.894 6.376 1.00 4.51 C ATOM 1204 O PRO A 425 -11.383 23.004 5.157 1.00 60.45 O ATOM 1205 CB PRO A 425 -9.633 23.727 7.889 1.00 71.30 C ATOM 1206 CG PRO A 425 -8.383 24.005 7.070 1.00 71.40 C ATOM 1207 CD PRO A 425 -8.123 22.792 6.191 1.00 42.21 C ATOM 0 HA PRO A 425 -10.699 21.850 8.000 1.00 2.42 H new ATOM 0 HB2 PRO A 425 -10.301 24.588 7.886 1.00 71.30 H new ATOM 0 HB3 PRO A 425 -9.381 23.523 8.930 1.00 71.30 H new ATOM 0 HG2 PRO A 425 -8.518 24.898 6.459 1.00 71.40 H new ATOM 0 HG3 PRO A 425 -7.532 24.192 7.724 1.00 71.40 H new ATOM 0 HD2 PRO A 425 -8.066 23.071 5.139 1.00 42.21 H new ATOM 0 HD3 PRO A 425 -7.177 22.314 6.446 1.00 42.21 H new ATOM 1215 N PHE A 426 -12.632 23.080 7.040 1.00 22.14 N ATOM 1216 CA PHE A 426 -13.857 23.439 6.347 1.00 71.44 C ATOM 1217 C PHE A 426 -13.620 24.600 5.380 1.00 43.43 C ATOM 1218 O PHE A 426 -14.401 24.811 4.454 1.00 52.44 O ATOM 1219 CB PHE A 426 -14.863 23.876 7.413 1.00 73.30 C ATOM 1220 CG PHE A 426 -16.003 24.743 6.875 1.00 73.23 C ATOM 1221 CD1 PHE A 426 -16.701 24.344 5.777 1.00 10.35 C ATOM 1222 CD2 PHE A 426 -16.319 25.912 7.493 1.00 3.15 C ATOM 1223 CE1 PHE A 426 -17.759 25.149 5.278 1.00 70.00 C ATOM 1224 CE2 PHE A 426 -17.377 26.717 6.994 1.00 64.21 C ATOM 1225 CZ PHE A 426 -18.074 26.318 5.897 1.00 55.32 C ATOM 0 H PHE A 426 -12.726 22.989 8.052 1.00 22.14 H new ATOM 0 HA PHE A 426 -14.220 22.589 5.770 1.00 71.44 H new ATOM 0 HB2 PHE A 426 -15.286 22.989 7.884 1.00 73.30 H new ATOM 0 HB3 PHE A 426 -14.336 24.429 8.191 1.00 73.30 H new ATOM 0 HD1 PHE A 426 -16.450 23.416 5.285 1.00 10.35 H new ATOM 0 HD2 PHE A 426 -15.765 26.229 8.364 1.00 3.15 H new ATOM 0 HE1 PHE A 426 -18.313 24.833 4.407 1.00 70.00 H new ATOM 0 HE2 PHE A 426 -17.628 27.645 7.485 1.00 64.21 H new ATOM 0 HZ PHE A 426 -18.879 26.930 5.517 1.00 55.32 H new TER 1235 PHE A 426 HETATM 1236 ZN ZN A1373 1.625 14.767 16.120 1.00 60.21 ZN HETATM 1237 ZN ZN A1388 -8.484 3.167 13.818 1.00 44.04 ZN